USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 428 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 26 GLN : amide:sc= -0.69 K(o=-5.7,f=-6.6) USER MOD Set 1.2: A 55 GLN : amide:sc= -5.03! C(o=-5.7!,f=-11!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.506 K(o=-3,f=-6.5) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.54! C(o=-3!,f=-11!) USER MOD Set 3.1: A 40 GLN : amide:sc= 0.691 K(o=1.7,f=-2.1) USER MOD Set 3.2: A 43 ASN : amide:sc= 1.03 K(o=1.7,f=-1.3) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.2) USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.935 (180deg=-2.07!) USER MOD Single : A 17 MET CE :methyl 173:sc= -10.5! (180deg=-10.9!) USER MOD Single : A 23 ASN : amide:sc= -1.28 K(o=-1.3,f=-7.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.491 K(o=-0.49,f=-4.7!) USER MOD Single : A 33 SER OG : rot 66:sc= 0.615 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -84:sc= -0.852 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= -2 (180deg=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -1.023 -13.063 9.214 1.00 0.00 N ATOM 46 CA LYS A 4 0.228 -12.599 8.607 1.00 0.00 C ATOM 47 C LYS A 4 0.024 -11.261 7.909 1.00 0.00 C ATOM 48 O LYS A 4 0.928 -10.745 7.244 1.00 0.00 O ATOM 49 CB LYS A 4 0.750 -13.628 7.596 1.00 0.00 C ATOM 50 CG LYS A 4 0.997 -14.972 8.294 1.00 0.00 C ATOM 51 CD LYS A 4 1.624 -15.962 7.301 1.00 0.00 C ATOM 52 CE LYS A 4 1.764 -17.339 7.961 1.00 0.00 C ATOM 53 NZ LYS A 4 2.343 -18.300 6.980 1.00 0.00 N ATOM 0 HA LYS A 4 0.961 -12.476 9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.028 -13.755 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.674 -13.269 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.658 -14.833 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.058 -15.372 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.004 -16.038 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.601 -15.601 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.404 -17.270 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.791 -17.692 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.439 -19.235 7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.716 -18.373 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.279 -17.964 6.676 1.00 0.00 H new ATOM 67 N PHE A 5 -1.177 -10.717 8.064 1.00 0.00 N ATOM 68 CA PHE A 5 -1.537 -9.448 7.454 1.00 0.00 C ATOM 69 C PHE A 5 -0.562 -8.351 7.815 1.00 0.00 C ATOM 70 O PHE A 5 -0.014 -7.692 6.944 1.00 0.00 O ATOM 71 CB PHE A 5 -2.877 -8.988 8.011 1.00 0.00 C ATOM 72 CG PHE A 5 -4.037 -9.622 7.298 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.065 -11.003 7.067 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.104 -8.814 6.884 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.167 -11.570 6.413 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.198 -9.380 6.237 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.233 -10.753 5.999 1.00 0.00 C ATOM 0 H PHE A 5 -1.924 -11.142 8.614 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.550 -9.611 6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.929 -9.230 9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.950 -7.904 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.244 -11.626 7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.077 -7.750 7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.197 -12.633 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.020 -8.756 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.082 -11.190 5.495 1.00 0.00 H new ATOM 87 N ASN A 6 -0.399 -8.140 9.117 1.00 0.00 N ATOM 88 CA ASN A 6 0.457 -7.076 9.612 1.00 0.00 C ATOM 89 C ASN A 6 1.856 -7.174 9.045 1.00 0.00 C ATOM 90 O ASN A 6 2.388 -6.187 8.568 1.00 0.00 O ATOM 91 CB ASN A 6 0.536 -7.145 11.130 1.00 0.00 C ATOM 92 CG ASN A 6 -0.861 -7.063 11.746 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.686 -6.254 11.322 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.177 -7.865 12.725 1.00 0.00 N ATOM 0 H ASN A 6 -0.850 -8.693 9.846 1.00 0.00 H new ATOM 0 HA ASN A 6 0.021 -6.128 9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.019 -8.074 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.153 -6.328 11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.108 -7.822 13.139 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.493 -8.535 13.076 1.00 0.00 H new ATOM 101 N LYS A 7 2.430 -8.369 9.080 1.00 0.00 N ATOM 102 CA LYS A 7 3.771 -8.585 8.562 1.00 0.00 C ATOM 103 C LYS A 7 3.841 -8.191 7.095 1.00 0.00 C ATOM 104 O LYS A 7 4.777 -7.511 6.677 1.00 0.00 O ATOM 105 CB LYS A 7 4.133 -10.055 8.766 1.00 0.00 C ATOM 106 CG LYS A 7 5.607 -10.322 8.416 1.00 0.00 C ATOM 107 CD LYS A 7 5.773 -10.572 6.910 1.00 0.00 C ATOM 108 CE LYS A 7 4.935 -11.780 6.459 1.00 0.00 C ATOM 109 NZ LYS A 7 3.789 -11.309 5.626 1.00 0.00 N ATOM 0 H LYS A 7 1.986 -9.204 9.463 1.00 0.00 H new ATOM 0 HA LYS A 7 4.489 -7.962 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.946 -10.337 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.491 -10.679 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.217 -9.470 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.967 -11.186 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.468 -9.685 6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.824 -10.747 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.554 -12.472 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.567 -12.325 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.484 -12.074 4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.999 -11.037 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.085 -10.488 5.061 1.00 0.00 H new ATOM 123 N GLU A 8 2.834 -8.594 6.327 1.00 0.00 N ATOM 124 CA GLU A 8 2.786 -8.258 4.912 1.00 0.00 C ATOM 125 C GLU A 8 2.497 -6.769 4.750 1.00 0.00 C ATOM 126 O GLU A 8 3.037 -6.103 3.867 1.00 0.00 O ATOM 127 CB GLU A 8 1.689 -9.099 4.252 1.00 0.00 C ATOM 128 CG GLU A 8 1.770 -8.971 2.729 1.00 0.00 C ATOM 129 CD GLU A 8 3.083 -9.554 2.184 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.590 -10.505 2.764 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.565 -9.034 1.192 1.00 0.00 O ATOM 0 H GLU A 8 2.046 -9.150 6.659 1.00 0.00 H new ATOM 0 HA GLU A 8 3.742 -8.473 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.797 -10.144 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.710 -8.771 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.925 -9.487 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.692 -7.921 2.446 1.00 0.00 H new ATOM 138 N ARG A 9 1.639 -6.277 5.632 1.00 0.00 N ATOM 139 CA ARG A 9 1.235 -4.893 5.660 1.00 0.00 C ATOM 140 C ARG A 9 2.372 -3.978 6.072 1.00 0.00 C ATOM 141 O ARG A 9 2.428 -2.864 5.608 1.00 0.00 O ATOM 142 CB ARG A 9 0.039 -4.714 6.601 1.00 0.00 C ATOM 143 CG ARG A 9 -1.219 -5.269 5.921 1.00 0.00 C ATOM 144 CD ARG A 9 -2.343 -5.464 6.938 1.00 0.00 C ATOM 145 NE ARG A 9 -2.860 -4.172 7.381 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.495 -4.048 8.541 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.845 -4.195 9.660 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.769 -3.779 8.559 1.00 0.00 N ATOM 0 H ARG A 9 1.201 -6.844 6.358 1.00 0.00 H new ATOM 0 HA ARG A 9 0.944 -4.613 4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.219 -5.234 7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.097 -3.659 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.546 -4.586 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.989 -6.219 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.147 -6.051 6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.973 -6.028 7.794 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.731 -3.351 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.847 -4.406 9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.334 -4.099 10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.278 -3.664 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.258 -3.684 9.449 1.00 0.00 H new ATOM 162 N VAL A 10 3.264 -4.445 6.951 1.00 0.00 N ATOM 163 CA VAL A 10 4.385 -3.610 7.406 1.00 0.00 C ATOM 164 C VAL A 10 5.247 -3.286 6.220 1.00 0.00 C ATOM 165 O VAL A 10 5.652 -2.147 5.981 1.00 0.00 O ATOM 166 CB VAL A 10 5.311 -4.323 8.411 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.352 -3.313 8.936 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.531 -4.923 9.583 1.00 0.00 C ATOM 0 H VAL A 10 3.236 -5.380 7.357 1.00 0.00 H new ATOM 0 HA VAL A 10 3.943 -2.737 7.886 1.00 0.00 H new ATOM 0 HB VAL A 10 5.805 -5.146 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.012 -3.808 9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.940 -2.930 8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.840 -2.487 9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.223 -5.416 10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.002 -4.130 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.812 -5.651 9.207 1.00 0.00 H new ATOM 178 N ILE A 11 5.534 -4.342 5.502 1.00 0.00 N ATOM 179 CA ILE A 11 6.355 -4.267 4.338 1.00 0.00 C ATOM 180 C ILE A 11 5.688 -3.379 3.307 1.00 0.00 C ATOM 181 O ILE A 11 6.301 -2.477 2.752 1.00 0.00 O ATOM 182 CB ILE A 11 6.499 -5.686 3.785 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.137 -6.596 4.852 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.357 -5.678 2.521 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.964 -8.061 4.437 1.00 0.00 C ATOM 0 H ILE A 11 5.198 -5.281 5.717 1.00 0.00 H new ATOM 0 HA ILE A 11 7.333 -3.849 4.578 1.00 0.00 H new ATOM 0 HB ILE A 11 5.511 -6.070 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.195 -6.360 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.669 -6.423 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.451 -6.694 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.887 -5.048 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.347 -5.286 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.414 -8.708 5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.902 -8.291 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.452 -8.227 3.477 1.00 0.00 H new ATOM 197 N ALA A 12 4.420 -3.671 3.076 1.00 0.00 N ATOM 198 CA ALA A 12 3.613 -2.958 2.103 1.00 0.00 C ATOM 199 C ALA A 12 3.285 -1.530 2.506 1.00 0.00 C ATOM 200 O ALA A 12 3.444 -0.615 1.705 1.00 0.00 O ATOM 201 CB ALA A 12 2.337 -3.734 1.933 1.00 0.00 C ATOM 0 H ALA A 12 3.919 -4.415 3.562 1.00 0.00 H new ATOM 0 HA ALA A 12 4.185 -2.882 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.699 -3.230 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.567 -4.739 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.819 -3.796 2.890 1.00 0.00 H new ATOM 207 N ILE A 13 2.838 -1.333 3.745 1.00 0.00 N ATOM 208 CA ILE A 13 2.519 -0.001 4.213 1.00 0.00 C ATOM 209 C ILE A 13 3.786 0.823 4.159 1.00 0.00 C ATOM 210 O ILE A 13 3.776 1.984 3.793 1.00 0.00 O ATOM 211 CB ILE A 13 1.978 -0.043 5.657 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.393 1.336 6.014 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.106 -0.421 6.641 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.730 1.721 7.455 1.00 0.00 C ATOM 0 H ILE A 13 2.692 -2.074 4.430 1.00 0.00 H new ATOM 0 HA ILE A 13 1.746 0.439 3.583 1.00 0.00 H new ATOM 0 HB ILE A 13 1.196 -0.799 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.787 2.089 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.311 1.321 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.710 -0.447 7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.502 -1.403 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.904 0.319 6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.304 2.699 7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.314 0.979 8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.812 1.760 7.578 1.00 0.00 H new ATOM 226 N GLY A 14 4.883 0.171 4.507 1.00 0.00 N ATOM 227 CA GLY A 14 6.174 0.794 4.498 1.00 0.00 C ATOM 228 C GLY A 14 6.553 1.148 3.070 1.00 0.00 C ATOM 229 O GLY A 14 7.154 2.197 2.821 1.00 0.00 O ATOM 0 H GLY A 14 4.892 -0.805 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.161 1.692 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.917 0.122 4.927 1.00 0.00 H new ATOM 233 N GLU A 15 6.181 0.270 2.121 1.00 0.00 N ATOM 234 CA GLU A 15 6.480 0.521 0.720 1.00 0.00 C ATOM 235 C GLU A 15 5.594 1.637 0.173 1.00 0.00 C ATOM 236 O GLU A 15 6.054 2.543 -0.521 1.00 0.00 O ATOM 237 CB GLU A 15 6.168 -0.736 -0.106 1.00 0.00 C ATOM 238 CG GLU A 15 7.111 -1.891 0.248 1.00 0.00 C ATOM 239 CD GLU A 15 8.008 -2.227 -0.944 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.926 -1.465 -1.203 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.761 -3.236 -1.584 1.00 0.00 O ATOM 0 H GLU A 15 5.683 -0.601 2.304 1.00 0.00 H new ATOM 0 HA GLU A 15 7.532 0.797 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.136 -1.041 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.256 -0.506 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.723 -1.619 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.531 -2.768 0.534 1.00 0.00 H new ATOM 248 N ILE A 16 4.309 1.519 0.478 1.00 0.00 N ATOM 249 CA ILE A 16 3.300 2.459 0.026 1.00 0.00 C ATOM 250 C ILE A 16 3.392 3.827 0.710 1.00 0.00 C ATOM 251 O ILE A 16 3.154 4.860 0.083 1.00 0.00 O ATOM 252 CB ILE A 16 1.931 1.779 0.168 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.885 0.656 -0.885 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.764 2.755 -0.046 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.639 -0.207 -0.725 1.00 0.00 C ATOM 0 H ILE A 16 3.938 0.761 1.051 1.00 0.00 H new ATOM 0 HA ILE A 16 3.468 2.703 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 16 1.818 1.393 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.902 1.091 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.775 0.033 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.181 2.223 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.819 3.555 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.825 3.181 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.638 -0.989 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.636 -0.662 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.250 0.413 -0.842 1.00 0.00 H new ATOM 267 N MET A 17 3.744 3.833 1.985 1.00 0.00 N ATOM 268 CA MET A 17 3.874 5.086 2.726 1.00 0.00 C ATOM 269 C MET A 17 5.031 5.923 2.166 1.00 0.00 C ATOM 270 O MET A 17 5.075 7.140 2.355 1.00 0.00 O ATOM 271 CB MET A 17 4.071 4.795 4.222 1.00 0.00 C ATOM 272 CG MET A 17 2.732 4.356 4.839 1.00 0.00 C ATOM 273 SD MET A 17 1.574 5.741 4.921 1.00 0.00 S ATOM 274 CE MET A 17 0.053 4.754 4.798 1.00 0.00 C ATOM 0 H MET A 17 3.944 2.994 2.529 1.00 0.00 H new ATOM 0 HA MET A 17 2.958 5.665 2.609 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.819 4.014 4.356 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.444 5.684 4.730 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.300 3.551 4.245 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.901 3.959 5.840 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.812 5.398 4.953 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.006 4.298 3.810 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.064 3.972 5.558 1.00 0.00 H new ATOM 284 N ARG A 18 5.957 5.257 1.463 1.00 0.00 N ATOM 285 CA ARG A 18 7.109 5.925 0.855 1.00 0.00 C ATOM 286 C ARG A 18 6.683 6.759 -0.352 1.00 0.00 C ATOM 287 O ARG A 18 7.241 7.827 -0.610 1.00 0.00 O ATOM 288 CB ARG A 18 8.129 4.862 0.420 1.00 0.00 C ATOM 289 CG ARG A 18 9.318 5.514 -0.299 1.00 0.00 C ATOM 290 CD ARG A 18 10.293 4.426 -0.748 1.00 0.00 C ATOM 291 NE ARG A 18 11.478 5.028 -1.351 1.00 0.00 N ATOM 292 CZ ARG A 18 12.560 4.304 -1.613 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.638 3.627 -2.723 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.543 4.271 -0.760 1.00 0.00 N ATOM 0 H ARG A 18 5.927 4.250 1.302 1.00 0.00 H new ATOM 0 HA ARG A 18 7.557 6.596 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.482 4.311 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.650 4.140 -0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.969 6.084 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.820 6.216 0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.582 3.812 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.807 3.765 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 18 11.475 6.023 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.868 3.653 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.469 3.071 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.482 4.801 0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.374 3.715 -0.961 1.00 0.00 H new ATOM 308 N LEU A 19 5.711 6.226 -1.094 1.00 0.00 N ATOM 309 CA LEU A 19 5.192 6.855 -2.309 1.00 0.00 C ATOM 310 C LEU A 19 5.033 8.376 -2.172 1.00 0.00 C ATOM 311 O LEU A 19 4.099 8.856 -1.524 1.00 0.00 O ATOM 312 CB LEU A 19 3.851 6.211 -2.659 1.00 0.00 C ATOM 313 CG LEU A 19 4.025 4.683 -2.698 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.689 4.000 -2.980 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.048 4.310 -3.772 1.00 0.00 C ATOM 0 H LEU A 19 5.259 5.340 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 19 5.916 6.694 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.097 6.485 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.499 6.575 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 19 4.385 4.343 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.831 2.920 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.977 4.255 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.304 4.337 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.170 3.227 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.699 4.659 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.005 4.777 -3.541 1.00 0.00 H new ATOM 327 N PRO A 20 5.937 9.134 -2.769 1.00 0.00 N ATOM 328 CA PRO A 20 5.915 10.626 -2.717 1.00 0.00 C ATOM 329 C PRO A 20 4.867 11.239 -3.649 1.00 0.00 C ATOM 330 O PRO A 20 4.554 12.426 -3.534 1.00 0.00 O ATOM 331 CB PRO A 20 7.323 11.051 -3.178 1.00 0.00 C ATOM 332 CG PRO A 20 8.081 9.798 -3.498 1.00 0.00 C ATOM 333 CD PRO A 20 7.079 8.652 -3.560 1.00 0.00 C ATOM 0 HA PRO A 20 5.656 10.969 -1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.262 11.698 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.829 11.618 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.604 9.900 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.837 9.604 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.788 8.431 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.495 7.735 -3.142 1.00 0.00 H new ATOM 341 N ASN A 21 4.361 10.438 -4.592 1.00 0.00 N ATOM 342 CA ASN A 21 3.385 10.937 -5.566 1.00 0.00 C ATOM 343 C ASN A 21 1.957 10.529 -5.222 1.00 0.00 C ATOM 344 O ASN A 21 1.101 10.401 -6.104 1.00 0.00 O ATOM 345 CB ASN A 21 3.761 10.440 -6.957 1.00 0.00 C ATOM 346 CG ASN A 21 4.899 11.286 -7.527 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.859 12.515 -7.458 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.912 10.702 -8.091 1.00 0.00 N ATOM 0 H ASN A 21 4.607 9.454 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 21 3.414 12.026 -5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.064 9.394 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.894 10.490 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.673 11.261 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.947 9.684 -8.149 1.00 0.00 H new ATOM 355 N LEU A 22 1.701 10.341 -3.939 1.00 0.00 N ATOM 356 CA LEU A 22 0.373 9.971 -3.476 1.00 0.00 C ATOM 357 C LEU A 22 -0.057 10.838 -2.322 1.00 0.00 C ATOM 358 O LEU A 22 0.759 11.229 -1.483 1.00 0.00 O ATOM 359 CB LEU A 22 0.354 8.514 -3.031 1.00 0.00 C ATOM 360 CG LEU A 22 0.462 7.613 -4.254 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.905 6.222 -3.824 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.900 7.521 -4.934 1.00 0.00 C ATOM 0 H LEU A 22 2.395 10.438 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.318 10.113 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.181 8.320 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.566 8.300 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 22 1.192 8.028 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.982 5.578 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.876 6.285 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.174 5.806 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.826 6.877 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.627 7.104 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.221 8.516 -5.241 1.00 0.00 H new ATOM 374 N ASN A 23 -1.357 11.076 -2.248 1.00 0.00 N ATOM 375 CA ASN A 23 -1.913 11.835 -1.148 1.00 0.00 C ATOM 376 C ASN A 23 -2.139 10.849 -0.027 1.00 0.00 C ATOM 377 O ASN A 23 -2.216 9.643 -0.278 1.00 0.00 O ATOM 378 CB ASN A 23 -3.223 12.524 -1.558 1.00 0.00 C ATOM 379 CG ASN A 23 -4.000 11.652 -2.540 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.836 10.849 -2.130 1.00 0.00 O ATOM 381 ND2 ASN A 23 -3.763 11.758 -3.820 1.00 0.00 N ATOM 0 H ASN A 23 -2.040 10.755 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.237 12.632 -0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.831 12.718 -0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.006 13.490 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.272 11.174 -4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.069 12.425 -4.157 1.00 0.00 H new ATOM 388 N SER A 24 -2.214 11.332 1.197 1.00 0.00 N ATOM 389 CA SER A 24 -2.389 10.433 2.323 1.00 0.00 C ATOM 390 C SER A 24 -3.546 9.482 2.090 1.00 0.00 C ATOM 391 O SER A 24 -3.482 8.339 2.482 1.00 0.00 O ATOM 392 CB SER A 24 -2.632 11.201 3.605 1.00 0.00 C ATOM 393 OG SER A 24 -3.756 12.058 3.447 1.00 0.00 O ATOM 0 H SER A 24 -2.158 12.322 1.436 1.00 0.00 H new ATOM 0 HA SER A 24 -1.467 9.860 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.805 10.508 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.749 11.787 3.862 1.00 0.00 H new ATOM 0 HG SER A 24 -3.911 12.552 4.279 1.00 0.00 H new ATOM 399 N LEU A 25 -4.594 9.955 1.440 1.00 0.00 N ATOM 400 CA LEU A 25 -5.748 9.113 1.178 1.00 0.00 C ATOM 401 C LEU A 25 -5.368 7.949 0.313 1.00 0.00 C ATOM 402 O LEU A 25 -5.705 6.830 0.636 1.00 0.00 O ATOM 403 CB LEU A 25 -6.819 9.901 0.458 1.00 0.00 C ATOM 404 CG LEU A 25 -7.180 11.173 1.233 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.202 12.312 0.904 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.575 11.595 0.805 1.00 0.00 C ATOM 0 H LEU A 25 -4.671 10.909 1.086 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.122 8.756 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.471 10.166 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.708 9.283 0.333 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.130 10.971 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.479 13.204 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.190 12.012 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.242 12.529 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.862 12.500 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.583 11.790 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.283 10.798 1.034 1.00 0.00 H new ATOM 418 N GLN A 26 -4.653 8.219 -0.772 1.00 0.00 N ATOM 419 CA GLN A 26 -4.217 7.157 -1.656 1.00 0.00 C ATOM 420 C GLN A 26 -3.266 6.259 -0.921 1.00 0.00 C ATOM 421 O GLN A 26 -3.377 5.043 -0.956 1.00 0.00 O ATOM 422 CB GLN A 26 -3.498 7.734 -2.846 1.00 0.00 C ATOM 423 CG GLN A 26 -4.518 8.305 -3.828 1.00 0.00 C ATOM 424 CD GLN A 26 -5.107 7.194 -4.705 1.00 0.00 C ATOM 425 OE1 GLN A 26 -4.943 6.007 -4.417 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.781 7.514 -5.772 1.00 0.00 N ATOM 0 H GLN A 26 -4.367 9.156 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.091 6.598 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.809 8.515 -2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.901 6.963 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.317 8.805 -3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.043 9.058 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.919 8.496 -6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.172 6.783 -6.367 1.00 0.00 H new ATOM 435 N VAL A 27 -2.354 6.904 -0.218 1.00 0.00 N ATOM 436 CA VAL A 27 -1.368 6.218 0.575 1.00 0.00 C ATOM 437 C VAL A 27 -2.096 5.319 1.562 1.00 0.00 C ATOM 438 O VAL A 27 -1.747 4.154 1.751 1.00 0.00 O ATOM 439 CB VAL A 27 -0.551 7.302 1.306 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.220 6.736 2.489 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.441 7.950 0.332 1.00 0.00 C ATOM 0 H VAL A 27 -2.281 7.921 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.702 5.599 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.258 8.042 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.781 7.535 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.478 6.298 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.911 5.968 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.016 8.715 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.118 7.190 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.105 8.406 -0.494 1.00 0.00 H new ATOM 451 N VAL A 28 -3.132 5.886 2.150 1.00 0.00 N ATOM 452 CA VAL A 28 -3.978 5.176 3.096 1.00 0.00 C ATOM 453 C VAL A 28 -4.862 4.166 2.395 1.00 0.00 C ATOM 454 O VAL A 28 -5.161 3.098 2.925 1.00 0.00 O ATOM 455 CB VAL A 28 -4.773 6.143 3.949 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.608 5.344 4.954 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.763 7.009 4.706 1.00 0.00 C ATOM 0 H VAL A 28 -3.413 6.853 1.986 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.333 4.613 3.770 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.435 6.759 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.185 6.030 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.287 4.681 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.947 4.752 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.295 7.723 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.134 6.374 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.140 7.548 3.993 1.00 0.00 H new ATOM 467 N ALA A 29 -5.280 4.537 1.198 1.00 0.00 N ATOM 468 CA ALA A 29 -6.135 3.711 0.380 1.00 0.00 C ATOM 469 C ALA A 29 -5.485 2.376 0.230 1.00 0.00 C ATOM 470 O ALA A 29 -6.132 1.329 0.263 1.00 0.00 O ATOM 471 CB ALA A 29 -6.245 4.337 -0.996 1.00 0.00 C ATOM 0 H ALA A 29 -5.031 5.428 0.767 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.121 3.617 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.889 3.722 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.671 5.337 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.254 4.403 -1.446 1.00 0.00 H new ATOM 477 N PHE A 30 -4.178 2.437 0.091 1.00 0.00 N ATOM 478 CA PHE A 30 -3.403 1.275 -0.028 1.00 0.00 C ATOM 479 C PHE A 30 -3.359 0.563 1.275 1.00 0.00 C ATOM 480 O PHE A 30 -3.475 -0.653 1.281 1.00 0.00 O ATOM 481 CB PHE A 30 -2.024 1.650 -0.461 1.00 0.00 C ATOM 482 CG PHE A 30 -2.071 1.874 -1.931 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.317 0.798 -2.775 1.00 0.00 C ATOM 484 CD2 PHE A 30 -1.939 3.158 -2.442 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.410 1.003 -4.138 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.047 3.373 -3.799 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.274 2.293 -4.662 1.00 0.00 C ATOM 0 H PHE A 30 -3.646 3.307 0.060 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.845 0.611 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.690 2.550 0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.315 0.860 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.435 -0.195 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.752 3.988 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.588 0.168 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.957 4.373 -4.197 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.344 2.456 -5.727 1.00 0.00 H new ATOM 497 N ILE A 31 -3.242 1.316 2.387 1.00 0.00 N ATOM 498 CA ILE A 31 -3.225 0.651 3.685 1.00 0.00 C ATOM 499 C ILE A 31 -4.485 -0.186 3.772 1.00 0.00 C ATOM 500 O ILE A 31 -4.487 -1.311 4.278 1.00 0.00 O ATOM 501 CB ILE A 31 -3.298 1.622 4.873 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.150 2.621 4.864 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.240 0.820 6.187 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.394 3.642 5.988 1.00 0.00 C ATOM 0 H ILE A 31 -3.162 2.333 2.408 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.292 0.090 3.747 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.234 2.175 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.199 2.109 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.091 3.124 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.291 1.505 7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.081 0.128 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.306 0.259 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.582 4.370 6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.339 4.156 5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.433 3.125 6.947 1.00 0.00 H new ATOM 516 N ASN A 32 -5.559 0.414 3.263 1.00 0.00 N ATOM 517 CA ASN A 32 -6.858 -0.220 3.264 1.00 0.00 C ATOM 518 C ASN A 32 -6.898 -1.436 2.355 1.00 0.00 C ATOM 519 O ASN A 32 -7.455 -2.465 2.727 1.00 0.00 O ATOM 520 CB ASN A 32 -7.906 0.808 2.831 1.00 0.00 C ATOM 521 CG ASN A 32 -8.385 1.608 4.036 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.096 1.082 4.893 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.033 2.858 4.158 1.00 0.00 N ATOM 0 H ASN A 32 -5.546 1.344 2.844 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.072 -0.574 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.481 1.479 2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.750 0.303 2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.347 3.400 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.444 3.294 3.448 1.00 0.00 H new ATOM 530 N SER A 33 -6.311 -1.327 1.170 1.00 0.00 N ATOM 531 CA SER A 33 -6.312 -2.436 0.242 1.00 0.00 C ATOM 532 C SER A 33 -5.540 -3.628 0.811 1.00 0.00 C ATOM 533 O SER A 33 -5.915 -4.777 0.584 1.00 0.00 O ATOM 534 CB SER A 33 -5.712 -1.994 -1.076 1.00 0.00 C ATOM 535 OG SER A 33 -6.284 -0.753 -1.468 1.00 0.00 O ATOM 0 H SER A 33 -5.835 -0.489 0.837 1.00 0.00 H new ATOM 0 HA SER A 33 -7.341 -2.755 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.631 -1.893 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.895 -2.748 -1.841 1.00 0.00 H new ATOM 0 HG SER A 33 -6.024 -0.057 -0.830 1.00 0.00 H new ATOM 541 N LEU A 34 -4.459 -3.343 1.544 1.00 0.00 N ATOM 542 CA LEU A 34 -3.639 -4.426 2.140 1.00 0.00 C ATOM 543 C LEU A 34 -4.511 -5.317 3.022 1.00 0.00 C ATOM 544 O LEU A 34 -4.429 -6.539 2.965 1.00 0.00 O ATOM 545 CB LEU A 34 -2.503 -3.909 3.051 1.00 0.00 C ATOM 546 CG LEU A 34 -1.826 -2.645 2.518 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.556 -2.356 3.318 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.448 -2.795 1.050 1.00 0.00 C ATOM 0 H LEU A 34 -4.129 -2.398 1.741 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.209 -4.959 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.907 -3.706 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.754 -4.693 3.166 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.536 -1.824 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.080 -1.455 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.812 -2.210 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.131 -3.197 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.969 -1.880 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.758 -3.631 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.346 -2.982 0.460 1.00 0.00 H new ATOM 560 N ARG A 35 -5.335 -4.683 3.850 1.00 0.00 N ATOM 561 CA ARG A 35 -6.222 -5.408 4.755 1.00 0.00 C ATOM 562 C ARG A 35 -7.338 -6.070 3.958 1.00 0.00 C ATOM 563 O ARG A 35 -7.773 -7.176 4.282 1.00 0.00 O ATOM 564 CB ARG A 35 -6.743 -4.454 5.846 1.00 0.00 C ATOM 565 CG ARG A 35 -8.123 -3.870 5.511 1.00 0.00 C ATOM 566 CD ARG A 35 -8.341 -2.589 6.333 1.00 0.00 C ATOM 567 NE ARG A 35 -9.723 -2.115 6.217 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.366 -2.097 5.053 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.828 -1.523 4.016 1.00 0.00 N ATOM 570 NH2 ARG A 35 -11.538 -2.652 4.952 1.00 0.00 N ATOM 0 H ARG A 35 -5.408 -3.668 3.914 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.680 -6.205 5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.800 -4.989 6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.031 -3.640 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.189 -3.649 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.903 -4.597 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.106 -2.781 7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.657 -1.813 5.990 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.206 -1.789 7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.910 -1.085 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.324 -1.511 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.962 -3.100 5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.033 -2.639 4.060 1.00 0.00 H new ATOM 584 N ASP A 36 -7.756 -5.401 2.886 1.00 0.00 N ATOM 585 CA ASP A 36 -8.773 -5.938 2.004 1.00 0.00 C ATOM 586 C ASP A 36 -8.195 -7.150 1.284 1.00 0.00 C ATOM 587 O ASP A 36 -8.931 -8.019 0.810 1.00 0.00 O ATOM 588 CB ASP A 36 -9.204 -4.867 0.986 1.00 0.00 C ATOM 589 CG ASP A 36 -9.948 -3.717 1.677 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.671 -3.976 2.624 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.784 -2.588 1.241 1.00 0.00 O ATOM 0 H ASP A 36 -7.401 -4.485 2.612 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.650 -6.235 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.327 -4.478 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.846 -5.317 0.229 1.00 0.00 H new ATOM 596 N ASP A 37 -6.857 -7.188 1.219 1.00 0.00 N ATOM 597 CA ASP A 37 -6.144 -8.281 0.564 1.00 0.00 C ATOM 598 C ASP A 37 -4.627 -8.173 0.813 1.00 0.00 C ATOM 599 O ASP A 37 -3.935 -7.410 0.133 1.00 0.00 O ATOM 600 CB ASP A 37 -6.419 -8.240 -0.944 1.00 0.00 C ATOM 601 CG ASP A 37 -6.083 -9.592 -1.587 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.081 -10.185 -1.209 1.00 0.00 O ATOM 603 OD2 ASP A 37 -6.833 -10.014 -2.451 1.00 0.00 O ATOM 0 H ASP A 37 -6.250 -6.470 1.615 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.497 -9.224 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.466 -7.996 -1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.825 -7.452 -1.407 1.00 0.00 H new ATOM 608 N PRO A 38 -4.098 -8.918 1.768 1.00 0.00 N ATOM 609 CA PRO A 38 -2.640 -8.895 2.090 1.00 0.00 C ATOM 610 C PRO A 38 -1.811 -9.581 1.009 1.00 0.00 C ATOM 611 O PRO A 38 -0.696 -9.164 0.708 1.00 0.00 O ATOM 612 CB PRO A 38 -2.513 -9.644 3.424 1.00 0.00 C ATOM 613 CG PRO A 38 -3.891 -10.060 3.824 1.00 0.00 C ATOM 614 CD PRO A 38 -4.821 -9.858 2.630 1.00 0.00 C ATOM 0 HA PRO A 38 -2.265 -7.873 2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.863 -10.513 3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.067 -9.003 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.896 -11.104 4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.233 -9.471 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.019 -10.798 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.785 -9.454 2.940 1.00 0.00 H new ATOM 622 N SER A 39 -2.383 -10.629 0.415 1.00 0.00 N ATOM 623 CA SER A 39 -1.708 -11.362 -0.648 1.00 0.00 C ATOM 624 C SER A 39 -1.466 -10.427 -1.817 1.00 0.00 C ATOM 625 O SER A 39 -0.502 -10.586 -2.570 1.00 0.00 O ATOM 626 CB SER A 39 -2.561 -12.552 -1.099 1.00 0.00 C ATOM 627 OG SER A 39 -1.823 -13.337 -2.025 1.00 0.00 O ATOM 0 H SER A 39 -3.308 -10.986 0.653 1.00 0.00 H new ATOM 0 HA SER A 39 -0.756 -11.741 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.845 -13.157 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.484 -12.199 -1.559 1.00 0.00 H new ATOM 0 HG SER A 39 -2.367 -14.100 -2.314 1.00 0.00 H new ATOM 633 N GLN A 40 -2.354 -9.444 -1.944 1.00 0.00 N ATOM 634 CA GLN A 40 -2.255 -8.461 -3.003 1.00 0.00 C ATOM 635 C GLN A 40 -1.635 -7.170 -2.486 1.00 0.00 C ATOM 636 O GLN A 40 -1.651 -6.160 -3.183 1.00 0.00 O ATOM 637 CB GLN A 40 -3.639 -8.193 -3.607 1.00 0.00 C ATOM 638 CG GLN A 40 -4.196 -9.486 -4.217 1.00 0.00 C ATOM 639 CD GLN A 40 -3.330 -9.941 -5.390 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.289 -9.282 -6.426 1.00 0.00 O ATOM 641 NE2 GLN A 40 -2.625 -11.034 -5.281 1.00 0.00 N ATOM 0 H GLN A 40 -3.151 -9.313 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.605 -8.857 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.316 -7.821 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.569 -7.419 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.230 -10.268 -3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.220 -9.324 -4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.660 -11.580 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.039 -11.342 -6.057 1.00 0.00 H new ATOM 650 N SER A 41 -1.054 -7.211 -1.275 1.00 0.00 N ATOM 651 CA SER A 41 -0.408 -6.023 -0.709 1.00 0.00 C ATOM 652 C SER A 41 0.605 -5.524 -1.731 1.00 0.00 C ATOM 653 O SER A 41 0.767 -4.325 -1.935 1.00 0.00 O ATOM 654 CB SER A 41 0.300 -6.370 0.619 1.00 0.00 C ATOM 655 OG SER A 41 1.421 -7.199 0.341 1.00 0.00 O ATOM 0 H SER A 41 -1.020 -8.040 -0.681 1.00 0.00 H new ATOM 0 HA SER A 41 -1.150 -5.254 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.621 -5.459 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.389 -6.881 1.291 1.00 0.00 H new ATOM 0 HG SER A 41 1.128 -8.131 0.265 1.00 0.00 H new ATOM 661 N ALA A 42 1.246 -6.499 -2.378 1.00 0.00 N ATOM 662 CA ALA A 42 2.230 -6.278 -3.420 1.00 0.00 C ATOM 663 C ALA A 42 1.597 -5.719 -4.702 1.00 0.00 C ATOM 664 O ALA A 42 2.186 -4.869 -5.363 1.00 0.00 O ATOM 665 CB ALA A 42 2.902 -7.603 -3.755 1.00 0.00 C ATOM 0 H ALA A 42 1.086 -7.487 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 42 2.950 -5.549 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.644 -7.447 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.391 -7.998 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.152 -8.314 -4.102 1.00 0.00 H new ATOM 671 N ASN A 43 0.395 -6.205 -5.045 1.00 0.00 N ATOM 672 CA ASN A 43 -0.314 -5.746 -6.241 1.00 0.00 C ATOM 673 C ASN A 43 -0.751 -4.327 -6.020 1.00 0.00 C ATOM 674 O ASN A 43 -0.732 -3.486 -6.909 1.00 0.00 O ATOM 675 CB ASN A 43 -1.551 -6.603 -6.449 1.00 0.00 C ATOM 676 CG ASN A 43 -2.131 -6.411 -7.851 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.735 -5.505 -8.586 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.056 -7.226 -8.262 1.00 0.00 N ATOM 0 H ASN A 43 -0.104 -6.915 -4.509 1.00 0.00 H new ATOM 0 HA ASN A 43 0.339 -5.817 -7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.298 -7.653 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.304 -6.346 -5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.455 -7.116 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.383 -7.976 -7.652 1.00 0.00 H new ATOM 685 N LEU A 44 -1.129 -4.102 -4.789 1.00 0.00 N ATOM 686 CA LEU A 44 -1.565 -2.811 -4.327 1.00 0.00 C ATOM 687 C LEU A 44 -0.385 -1.911 -4.323 1.00 0.00 C ATOM 688 O LEU A 44 -0.444 -0.760 -4.714 1.00 0.00 O ATOM 689 CB LEU A 44 -2.137 -2.995 -2.943 1.00 0.00 C ATOM 690 CG LEU A 44 -3.391 -3.826 -3.112 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.837 -4.446 -1.788 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.449 -2.915 -3.690 1.00 0.00 C ATOM 0 H LEU A 44 -1.143 -4.823 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.331 -2.371 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.423 -3.496 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.366 -2.033 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.207 -4.666 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.740 -5.035 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.046 -5.090 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.043 -3.655 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.374 -3.474 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.626 -2.084 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.111 -2.528 -4.651 1.00 0.00 H new ATOM 704 N LEU A 45 0.707 -2.503 -3.945 1.00 0.00 N ATOM 705 CA LEU A 45 1.963 -1.836 -3.948 1.00 0.00 C ATOM 706 C LEU A 45 2.275 -1.467 -5.380 1.00 0.00 C ATOM 707 O LEU A 45 2.747 -0.375 -5.685 1.00 0.00 O ATOM 708 CB LEU A 45 2.995 -2.840 -3.472 1.00 0.00 C ATOM 709 CG LEU A 45 3.853 -2.268 -2.386 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.488 -3.448 -1.639 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.899 -1.357 -3.042 1.00 0.00 C ATOM 0 H LEU A 45 0.746 -3.470 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 45 1.959 -0.948 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.492 -3.736 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.622 -3.145 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 45 3.291 -1.669 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.123 -3.072 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.703 -4.076 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.089 -4.036 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.539 -0.926 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.506 -1.940 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.396 -0.557 -3.585 1.00 0.00 H new ATOM 723 N ALA A 46 1.968 -2.425 -6.245 1.00 0.00 N ATOM 724 CA ALA A 46 2.166 -2.280 -7.665 1.00 0.00 C ATOM 725 C ALA A 46 1.286 -1.158 -8.166 1.00 0.00 C ATOM 726 O ALA A 46 1.720 -0.287 -8.918 1.00 0.00 O ATOM 727 CB ALA A 46 1.751 -3.576 -8.365 1.00 0.00 C ATOM 0 H ALA A 46 1.573 -3.325 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 46 3.214 -2.063 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.899 -3.472 -9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.359 -4.401 -7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.700 -3.779 -8.161 1.00 0.00 H new ATOM 733 N GLU A 47 0.045 -1.186 -7.692 1.00 0.00 N ATOM 734 CA GLU A 47 -0.926 -0.185 -8.027 1.00 0.00 C ATOM 735 C GLU A 47 -0.429 1.147 -7.530 1.00 0.00 C ATOM 736 O GLU A 47 -0.519 2.147 -8.209 1.00 0.00 O ATOM 737 CB GLU A 47 -2.217 -0.553 -7.316 1.00 0.00 C ATOM 738 CG GLU A 47 -3.066 -1.474 -8.194 1.00 0.00 C ATOM 739 CD GLU A 47 -3.993 -2.325 -7.327 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.040 -1.827 -6.947 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.639 -3.464 -7.057 1.00 0.00 O ATOM 0 H GLU A 47 -0.303 -1.911 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.090 -0.127 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.991 -1.048 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.778 0.350 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.654 -0.880 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.419 -2.119 -8.789 1.00 0.00 H new ATOM 748 N ALA A 48 0.123 1.111 -6.332 1.00 0.00 N ATOM 749 CA ALA A 48 0.673 2.281 -5.686 1.00 0.00 C ATOM 750 C ALA A 48 1.761 2.899 -6.534 1.00 0.00 C ATOM 751 O ALA A 48 1.792 4.109 -6.738 1.00 0.00 O ATOM 752 CB ALA A 48 1.256 1.874 -4.349 1.00 0.00 C ATOM 0 H ALA A 48 0.202 0.259 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.121 3.015 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.674 2.750 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.472 1.444 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.042 1.135 -4.505 1.00 0.00 H new ATOM 758 N LYS A 49 2.635 2.045 -7.040 1.00 0.00 N ATOM 759 CA LYS A 49 3.714 2.495 -7.900 1.00 0.00 C ATOM 760 C LYS A 49 3.108 3.050 -9.179 1.00 0.00 C ATOM 761 O LYS A 49 3.581 4.048 -9.723 1.00 0.00 O ATOM 762 CB LYS A 49 4.671 1.333 -8.201 1.00 0.00 C ATOM 763 CG LYS A 49 5.407 0.936 -6.913 1.00 0.00 C ATOM 764 CD LYS A 49 6.362 -0.233 -7.189 1.00 0.00 C ATOM 765 CE LYS A 49 6.913 -0.777 -5.862 1.00 0.00 C ATOM 766 NZ LYS A 49 8.285 -1.318 -6.074 1.00 0.00 N ATOM 0 H LYS A 49 2.618 1.039 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 49 4.291 3.276 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.115 0.481 -8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.388 1.626 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.966 1.789 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.686 0.653 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.839 -1.023 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.182 0.098 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.935 0.015 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.258 -1.559 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.656 -1.686 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.251 -2.086 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.907 -0.560 -6.421 1.00 0.00 H new ATOM 780 N LYS A 50 2.013 2.414 -9.617 1.00 0.00 N ATOM 781 CA LYS A 50 1.294 2.868 -10.795 1.00 0.00 C ATOM 782 C LYS A 50 0.583 4.174 -10.473 1.00 0.00 C ATOM 783 O LYS A 50 0.465 5.049 -11.316 1.00 0.00 O ATOM 784 CB LYS A 50 0.271 1.805 -11.236 1.00 0.00 C ATOM 785 CG LYS A 50 0.810 0.998 -12.436 1.00 0.00 C ATOM 786 CD LYS A 50 1.028 -0.476 -12.048 1.00 0.00 C ATOM 787 CE LYS A 50 -0.317 -1.164 -11.752 1.00 0.00 C ATOM 788 NZ LYS A 50 -0.131 -2.184 -10.680 1.00 0.00 N ATOM 0 H LYS A 50 1.614 1.589 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 50 1.999 3.028 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.056 1.133 -10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.668 2.287 -11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.108 1.060 -13.267 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.749 1.431 -12.779 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.540 -0.998 -12.856 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.673 -0.535 -11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.055 -0.424 -11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.702 -1.637 -12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.311 -3.132 -11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.844 -2.136 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.796 -1.996 -9.903 1.00 0.00 H new ATOM 802 N LEU A 51 0.115 4.269 -9.228 1.00 0.00 N ATOM 803 CA LEU A 51 -0.603 5.435 -8.732 1.00 0.00 C ATOM 804 C LEU A 51 0.328 6.614 -8.608 1.00 0.00 C ATOM 805 O LEU A 51 0.010 7.728 -9.020 1.00 0.00 O ATOM 806 CB LEU A 51 -1.151 5.115 -7.341 1.00 0.00 C ATOM 807 CG LEU A 51 -2.637 4.756 -7.374 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.454 5.976 -7.828 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.866 3.543 -8.300 1.00 0.00 C ATOM 0 H LEU A 51 0.226 3.531 -8.533 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.406 5.678 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.588 4.286 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.001 5.974 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.971 4.479 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.513 5.717 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.297 6.799 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.133 6.278 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.927 3.294 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.534 3.788 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.299 2.689 -7.928 1.00 0.00 H new ATOM 821 N ASN A 52 1.486 6.342 -8.028 1.00 0.00 N ATOM 822 CA ASN A 52 2.491 7.356 -7.832 1.00 0.00 C ATOM 823 C ASN A 52 2.902 7.887 -9.185 1.00 0.00 C ATOM 824 O ASN A 52 2.960 9.097 -9.415 1.00 0.00 O ATOM 825 CB ASN A 52 3.671 6.709 -7.069 1.00 0.00 C ATOM 826 CG ASN A 52 5.074 7.194 -7.513 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.231 8.137 -8.282 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.125 6.584 -7.057 1.00 0.00 N ATOM 0 H ASN A 52 1.748 5.418 -7.685 1.00 0.00 H new ATOM 0 HA ASN A 52 2.123 8.197 -7.244 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.552 6.911 -6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.619 5.628 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.056 6.891 -7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.020 5.797 -6.416 1.00 0.00 H new ATOM 835 N ASP A 53 3.177 6.959 -10.079 1.00 0.00 N ATOM 836 CA ASP A 53 3.580 7.306 -11.411 1.00 0.00 C ATOM 837 C ASP A 53 2.434 7.971 -12.174 1.00 0.00 C ATOM 838 O ASP A 53 2.653 8.858 -13.001 1.00 0.00 O ATOM 839 CB ASP A 53 4.025 6.043 -12.157 1.00 0.00 C ATOM 840 CG ASP A 53 4.628 6.414 -13.512 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.806 6.729 -13.548 1.00 0.00 O ATOM 842 OD2 ASP A 53 3.901 6.381 -14.492 1.00 0.00 O ATOM 0 H ASP A 53 3.126 5.956 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 53 4.408 8.012 -11.347 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.758 5.499 -11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.174 5.377 -12.300 1.00 0.00 H new ATOM 847 N ALA A 54 1.218 7.486 -11.918 1.00 0.00 N ATOM 848 CA ALA A 54 0.022 7.980 -12.618 1.00 0.00 C ATOM 849 C ALA A 54 -0.454 9.351 -12.170 1.00 0.00 C ATOM 850 O ALA A 54 -0.890 10.161 -12.992 1.00 0.00 O ATOM 851 CB ALA A 54 -1.119 7.025 -12.345 1.00 0.00 C ATOM 0 H ALA A 54 1.031 6.753 -11.233 1.00 0.00 H new ATOM 0 HA ALA A 54 0.303 8.051 -13.669 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.016 7.374 -12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.857 6.032 -12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.307 6.980 -11.272 1.00 0.00 H new ATOM 857 N GLN A 55 -0.419 9.587 -10.869 1.00 0.00 N ATOM 858 CA GLN A 55 -0.904 10.842 -10.327 1.00 0.00 C ATOM 859 C GLN A 55 0.127 11.924 -10.447 1.00 0.00 C ATOM 860 O GLN A 55 -0.178 13.035 -10.889 1.00 0.00 O ATOM 861 CB GLN A 55 -1.250 10.675 -8.853 1.00 0.00 C ATOM 862 CG GLN A 55 -2.481 9.783 -8.690 1.00 0.00 C ATOM 863 CD GLN A 55 -2.829 9.656 -7.211 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.835 9.046 -6.865 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.061 10.212 -6.313 1.00 0.00 N ATOM 0 H GLN A 55 -0.062 8.931 -10.174 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.788 11.124 -10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.404 10.238 -8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.438 11.651 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.324 10.206 -9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.287 8.798 -9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.224 10.719 -6.601 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.298 10.139 -5.324 1.00 0.00 H new ATOM 874 N ALA A 56 1.342 11.590 -10.014 1.00 0.00 N ATOM 875 CA ALA A 56 2.444 12.555 -10.023 1.00 0.00 C ATOM 876 C ALA A 56 1.901 13.930 -9.576 1.00 0.00 C ATOM 877 O ALA A 56 1.894 14.885 -10.353 1.00 0.00 O ATOM 878 CB ALA A 56 3.051 12.626 -11.426 1.00 0.00 C ATOM 0 H ALA A 56 1.588 10.667 -9.655 1.00 0.00 H new ATOM 0 HA ALA A 56 3.229 12.246 -9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.871 13.344 -11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.428 11.643 -11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.288 12.941 -12.137 1.00 0.00 H new