USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=6 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 23 ASN : amide:sc= -1.1 K(o=-5.1,f=-14!) USER MOD Set 1.2: A 26 GLN : amide:sc= -0.563 K(o=-5.1,f=-6.5) USER MOD Set 1.3: A 55 GLN : amide:sc= -3.47! C(o=-5.1!,f=-9!) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.48! K(o=-4.8!,f=-2.3) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.34! C(o=-4.8!,f=-8.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.065) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.222 (180deg=-0.894) USER MOD Single : A 17 MET CE :methyl 167:sc= -10.2! (180deg=-10.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.58 K(o=-0.58,f=-6.3!) USER MOD Single : A 33 SER OG : rot 64:sc= 0.849 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 SER OG : rot 90:sc= -0.993 USER MOD Single : A 43 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.012) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.799 -13.113 9.291 1.00 0.00 N ATOM 46 CA LYS A 4 0.425 -12.645 8.637 1.00 0.00 C ATOM 47 C LYS A 4 0.189 -11.307 7.950 1.00 0.00 C ATOM 48 O LYS A 4 1.061 -10.789 7.246 1.00 0.00 O ATOM 49 CB LYS A 4 0.916 -13.684 7.619 1.00 0.00 C ATOM 50 CG LYS A 4 0.997 -15.075 8.275 1.00 0.00 C ATOM 51 CD LYS A 4 2.039 -15.075 9.405 1.00 0.00 C ATOM 52 CE LYS A 4 2.068 -16.448 10.086 1.00 0.00 C ATOM 53 NZ LYS A 4 1.094 -16.460 11.217 1.00 0.00 N ATOM 0 HA LYS A 4 1.192 -12.511 9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.239 -13.715 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.896 -13.396 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.021 -15.354 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.263 -15.822 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.024 -14.837 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.797 -14.302 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.817 -17.228 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.071 -16.663 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.112 -17.391 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.353 -15.725 11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.138 -16.273 10.854 1.00 0.00 H new ATOM 67 N PHE A 5 -1.002 -10.764 8.164 1.00 0.00 N ATOM 68 CA PHE A 5 -1.391 -9.495 7.576 1.00 0.00 C ATOM 69 C PHE A 5 -0.412 -8.386 7.900 1.00 0.00 C ATOM 70 O PHE A 5 0.083 -7.712 7.008 1.00 0.00 O ATOM 71 CB PHE A 5 -2.723 -9.055 8.167 1.00 0.00 C ATOM 72 CG PHE A 5 -3.887 -9.686 7.452 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.904 -11.065 7.195 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.962 -8.880 7.055 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.003 -11.630 6.532 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.054 -9.444 6.398 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.077 -10.814 6.135 1.00 0.00 C ATOM 0 H PHE A 5 -1.721 -11.191 8.748 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.433 -9.653 6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.758 -9.321 9.223 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.806 -7.970 8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.077 -11.687 7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.944 -7.819 7.259 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.024 -12.690 6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.882 -8.821 6.093 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.923 -11.249 5.624 1.00 0.00 H new ATOM 87 N ASN A 6 -0.187 -8.176 9.195 1.00 0.00 N ATOM 88 CA ASN A 6 0.677 -7.097 9.643 1.00 0.00 C ATOM 89 C ASN A 6 2.048 -7.163 9.005 1.00 0.00 C ATOM 90 O ASN A 6 2.527 -6.164 8.502 1.00 0.00 O ATOM 91 CB ASN A 6 0.834 -7.157 11.156 1.00 0.00 C ATOM 92 CG ASN A 6 -0.530 -7.043 11.837 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.895 -7.900 12.641 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.306 -6.032 11.562 1.00 0.00 N ATOM 0 H ASN A 6 -0.590 -8.737 9.945 1.00 0.00 H new ATOM 0 HA ASN A 6 0.207 -6.160 9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.313 -8.093 11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.485 -6.350 11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.217 -5.951 12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.002 -5.322 10.895 1.00 0.00 H new ATOM 101 N LYS A 7 2.663 -8.339 9.005 1.00 0.00 N ATOM 102 CA LYS A 7 3.984 -8.492 8.406 1.00 0.00 C ATOM 103 C LYS A 7 3.955 -8.106 6.934 1.00 0.00 C ATOM 104 O LYS A 7 4.839 -7.400 6.458 1.00 0.00 O ATOM 105 CB LYS A 7 4.467 -9.937 8.591 1.00 0.00 C ATOM 106 CG LYS A 7 5.667 -10.264 7.671 1.00 0.00 C ATOM 107 CD LYS A 7 6.846 -9.301 7.917 1.00 0.00 C ATOM 108 CE LYS A 7 7.486 -9.566 9.283 1.00 0.00 C ATOM 109 NZ LYS A 7 7.922 -10.989 9.371 1.00 0.00 N ATOM 0 H LYS A 7 2.275 -9.192 9.408 1.00 0.00 H new ATOM 0 HA LYS A 7 4.684 -7.823 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.753 -10.094 9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.648 -10.624 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.991 -11.290 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.355 -10.201 6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.591 -9.423 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.496 -8.270 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.340 -8.905 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.773 -9.345 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.672 -11.079 10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.113 -11.584 9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.286 -11.298 8.447 1.00 0.00 H new ATOM 123 N GLU A 8 2.922 -8.545 6.229 1.00 0.00 N ATOM 124 CA GLU A 8 2.788 -8.218 4.819 1.00 0.00 C ATOM 125 C GLU A 8 2.461 -6.737 4.669 1.00 0.00 C ATOM 126 O GLU A 8 2.923 -6.069 3.744 1.00 0.00 O ATOM 127 CB GLU A 8 1.677 -9.091 4.223 1.00 0.00 C ATOM 128 CG GLU A 8 1.667 -8.972 2.698 1.00 0.00 C ATOM 129 CD GLU A 8 2.963 -9.517 2.078 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.514 -10.468 2.616 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.375 -8.985 1.062 1.00 0.00 O ATOM 0 H GLU A 8 2.171 -9.123 6.607 1.00 0.00 H new ATOM 0 HA GLU A 8 3.720 -8.413 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.828 -10.131 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.711 -8.786 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.813 -9.518 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.539 -7.927 2.415 1.00 0.00 H new ATOM 138 N ARG A 9 1.664 -6.249 5.612 1.00 0.00 N ATOM 139 CA ARG A 9 1.236 -4.869 5.659 1.00 0.00 C ATOM 140 C ARG A 9 2.363 -3.929 6.061 1.00 0.00 C ATOM 141 O ARG A 9 2.385 -2.810 5.601 1.00 0.00 O ATOM 142 CB ARG A 9 0.048 -4.722 6.617 1.00 0.00 C ATOM 143 CG ARG A 9 -1.203 -5.318 5.956 1.00 0.00 C ATOM 144 CD ARG A 9 -2.336 -5.454 6.972 1.00 0.00 C ATOM 145 NE ARG A 9 -2.844 -4.137 7.345 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.113 -3.834 8.609 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.148 -3.766 9.483 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.341 -3.603 8.975 1.00 0.00 N ATOM 0 H ARG A 9 1.295 -6.816 6.375 1.00 0.00 H new ATOM 0 HA ARG A 9 0.928 -4.586 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.257 -5.233 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.116 -3.671 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.522 -4.682 5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.967 -6.295 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.141 -6.056 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.978 -5.977 7.858 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.995 -3.436 6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.186 -3.946 9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.355 -3.533 10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.096 -3.655 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.548 -3.370 9.946 1.00 0.00 H new ATOM 162 N VAL A 10 3.284 -4.374 6.927 1.00 0.00 N ATOM 163 CA VAL A 10 4.392 -3.509 7.365 1.00 0.00 C ATOM 164 C VAL A 10 5.256 -3.203 6.176 1.00 0.00 C ATOM 165 O VAL A 10 5.640 -2.065 5.903 1.00 0.00 O ATOM 166 CB VAL A 10 5.328 -4.177 8.390 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.355 -3.134 8.881 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.559 -4.751 9.581 1.00 0.00 C ATOM 0 H VAL A 10 3.287 -5.310 7.333 1.00 0.00 H new ATOM 0 HA VAL A 10 3.930 -2.633 7.820 1.00 0.00 H new ATOM 0 HB VAL A 10 5.833 -5.010 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.024 -3.596 9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.936 -2.769 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.832 -2.300 9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.259 -5.212 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.019 -3.950 10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.850 -5.501 9.229 1.00 0.00 H new ATOM 178 N ILE A 11 5.570 -4.274 5.493 1.00 0.00 N ATOM 179 CA ILE A 11 6.396 -4.213 4.333 1.00 0.00 C ATOM 180 C ILE A 11 5.714 -3.357 3.286 1.00 0.00 C ATOM 181 O ILE A 11 6.314 -2.456 2.713 1.00 0.00 O ATOM 182 CB ILE A 11 6.582 -5.641 3.825 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.271 -6.481 4.920 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.421 -5.639 2.549 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.175 -7.968 4.564 1.00 0.00 C ATOM 0 H ILE A 11 5.254 -5.213 5.734 1.00 0.00 H new ATOM 0 HA ILE A 11 7.367 -3.772 4.558 1.00 0.00 H new ATOM 0 HB ILE A 11 5.610 -6.077 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.316 -6.186 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.799 -6.297 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.548 -6.662 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.917 -5.050 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.398 -5.203 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.662 -8.560 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.127 -8.258 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.668 -8.146 3.608 1.00 0.00 H new ATOM 197 N ALA A 12 4.444 -3.662 3.068 1.00 0.00 N ATOM 198 CA ALA A 12 3.633 -2.960 2.093 1.00 0.00 C ATOM 199 C ALA A 12 3.329 -1.530 2.495 1.00 0.00 C ATOM 200 O ALA A 12 3.542 -0.629 1.707 1.00 0.00 O ATOM 201 CB ALA A 12 2.339 -3.719 1.959 1.00 0.00 C ATOM 0 H ALA A 12 3.949 -4.404 3.564 1.00 0.00 H new ATOM 0 HA ALA A 12 4.186 -2.910 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.699 -3.221 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.546 -4.735 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.834 -3.751 2.925 1.00 0.00 H new ATOM 207 N ILE A 13 2.869 -1.307 3.724 1.00 0.00 N ATOM 208 CA ILE A 13 2.573 0.041 4.165 1.00 0.00 C ATOM 209 C ILE A 13 3.842 0.860 4.075 1.00 0.00 C ATOM 210 O ILE A 13 3.825 2.012 3.682 1.00 0.00 O ATOM 211 CB ILE A 13 2.037 0.041 5.611 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.481 1.440 5.940 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.160 -0.341 6.594 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.850 1.856 7.364 1.00 0.00 C ATOM 0 H ILE A 13 2.697 -2.034 4.418 1.00 0.00 H new ATOM 0 HA ILE A 13 1.801 0.473 3.528 1.00 0.00 H new ATOM 0 HB ILE A 13 1.239 -0.695 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.876 2.168 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.397 1.440 5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.770 -0.338 7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.533 -1.336 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.973 0.380 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.445 2.847 7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.433 1.140 8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.935 1.879 7.467 1.00 0.00 H new ATOM 226 N GLY A 14 4.948 0.218 4.405 1.00 0.00 N ATOM 227 CA GLY A 14 6.234 0.851 4.340 1.00 0.00 C ATOM 228 C GLY A 14 6.532 1.217 2.890 1.00 0.00 C ATOM 229 O GLY A 14 7.092 2.279 2.611 1.00 0.00 O ATOM 0 H GLY A 14 4.971 -0.751 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.246 1.744 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.003 0.182 4.726 1.00 0.00 H new ATOM 233 N GLU A 15 6.124 0.330 1.966 1.00 0.00 N ATOM 234 CA GLU A 15 6.326 0.568 0.542 1.00 0.00 C ATOM 235 C GLU A 15 5.372 1.647 0.024 1.00 0.00 C ATOM 236 O GLU A 15 5.753 2.523 -0.751 1.00 0.00 O ATOM 237 CB GLU A 15 6.032 -0.710 -0.246 1.00 0.00 C ATOM 238 CG GLU A 15 7.003 -1.837 0.134 1.00 0.00 C ATOM 239 CD GLU A 15 7.865 -2.228 -1.068 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.598 -1.378 -1.553 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.782 -3.371 -1.488 1.00 0.00 O ATOM 0 H GLU A 15 5.657 -0.550 2.186 1.00 0.00 H new ATOM 0 HA GLU A 15 7.360 0.886 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.008 -1.030 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.108 -0.507 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.641 -1.514 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.444 -2.704 0.486 1.00 0.00 H new ATOM 248 N ILE A 16 4.118 1.529 0.444 1.00 0.00 N ATOM 249 CA ILE A 16 3.053 2.430 0.034 1.00 0.00 C ATOM 250 C ILE A 16 3.267 3.830 0.608 1.00 0.00 C ATOM 251 O ILE A 16 3.064 4.836 -0.069 1.00 0.00 O ATOM 252 CB ILE A 16 1.712 1.861 0.527 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.614 0.338 0.167 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.550 2.686 -0.035 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.528 -0.028 -0.851 1.00 0.00 C ATOM 0 H ILE A 16 3.811 0.797 1.085 1.00 0.00 H new ATOM 0 HA ILE A 16 3.052 2.512 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 16 1.652 1.935 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.578 0.011 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.433 -0.224 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.394 2.274 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.643 3.720 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.573 2.652 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.545 -1.103 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.448 0.260 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.714 0.499 -1.787 1.00 0.00 H new ATOM 267 N MET A 17 3.669 3.871 1.869 1.00 0.00 N ATOM 268 CA MET A 17 3.918 5.127 2.563 1.00 0.00 C ATOM 269 C MET A 17 5.151 5.834 1.984 1.00 0.00 C ATOM 270 O MET A 17 5.298 7.050 2.122 1.00 0.00 O ATOM 271 CB MET A 17 4.096 4.855 4.065 1.00 0.00 C ATOM 272 CG MET A 17 2.756 4.402 4.671 1.00 0.00 C ATOM 273 SD MET A 17 1.559 5.756 4.702 1.00 0.00 S ATOM 274 CE MET A 17 0.067 4.718 4.618 1.00 0.00 C ATOM 0 H MET A 17 3.831 3.040 2.438 1.00 0.00 H new ATOM 0 HA MET A 17 3.063 5.788 2.422 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.854 4.087 4.218 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.448 5.755 4.568 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.354 3.572 4.091 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.918 4.034 5.684 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.810 5.321 4.855 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.035 4.308 3.613 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.151 3.902 5.336 1.00 0.00 H new ATOM 284 N ARG A 18 6.025 5.060 1.326 1.00 0.00 N ATOM 285 CA ARG A 18 7.235 5.604 0.713 1.00 0.00 C ATOM 286 C ARG A 18 6.875 6.516 -0.453 1.00 0.00 C ATOM 287 O ARG A 18 7.554 7.512 -0.714 1.00 0.00 O ATOM 288 CB ARG A 18 8.115 4.449 0.214 1.00 0.00 C ATOM 289 CG ARG A 18 9.385 4.989 -0.454 1.00 0.00 C ATOM 290 CD ARG A 18 10.183 3.821 -1.039 1.00 0.00 C ATOM 291 NE ARG A 18 11.447 4.299 -1.597 1.00 0.00 N ATOM 292 CZ ARG A 18 11.500 4.875 -2.793 1.00 0.00 C ATOM 293 NH1 ARG A 18 11.155 6.124 -2.930 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.896 4.191 -3.828 1.00 0.00 N ATOM 0 H ARG A 18 5.912 4.053 1.207 1.00 0.00 H new ATOM 0 HA ARG A 18 7.779 6.187 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.384 3.802 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.556 3.839 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.123 5.696 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.990 5.530 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.377 3.080 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.599 3.325 -1.815 1.00 0.00 H new ATOM 0 HE ARG A 18 12.305 4.188 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.844 6.659 -2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.196 6.567 -3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.165 3.213 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.937 4.633 -4.746 1.00 0.00 H new ATOM 308 N LEU A 19 5.810 6.134 -1.156 1.00 0.00 N ATOM 309 CA LEU A 19 5.326 6.859 -2.322 1.00 0.00 C ATOM 310 C LEU A 19 5.273 8.372 -2.069 1.00 0.00 C ATOM 311 O LEU A 19 4.422 8.857 -1.319 1.00 0.00 O ATOM 312 CB LEU A 19 3.951 6.303 -2.691 1.00 0.00 C ATOM 313 CG LEU A 19 4.058 4.767 -2.798 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.701 4.131 -3.102 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.073 4.415 -3.888 1.00 0.00 C ATOM 0 H LEU A 19 5.258 5.307 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 19 6.017 6.717 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.215 6.580 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.612 6.726 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 19 4.392 4.369 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.813 3.049 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.999 4.373 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.322 4.517 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.156 3.331 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.742 4.828 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.045 4.834 -3.629 1.00 0.00 H new ATOM 327 N PRO A 20 6.200 9.115 -2.655 1.00 0.00 N ATOM 328 CA PRO A 20 6.301 10.593 -2.468 1.00 0.00 C ATOM 329 C PRO A 20 5.231 11.389 -3.209 1.00 0.00 C ATOM 330 O PRO A 20 5.098 12.594 -2.974 1.00 0.00 O ATOM 331 CB PRO A 20 7.681 10.968 -3.038 1.00 0.00 C ATOM 332 CG PRO A 20 8.309 9.715 -3.563 1.00 0.00 C ATOM 333 CD PRO A 20 7.249 8.620 -3.563 1.00 0.00 C ATOM 0 HA PRO A 20 6.164 10.834 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.579 11.707 -3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.306 11.415 -2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.692 9.874 -4.571 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.157 9.425 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.857 8.449 -4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.659 7.672 -3.215 1.00 0.00 H new ATOM 341 N ASN A 21 4.504 10.751 -4.131 1.00 0.00 N ATOM 342 CA ASN A 21 3.503 11.490 -4.908 1.00 0.00 C ATOM 343 C ASN A 21 2.122 11.403 -4.279 1.00 0.00 C ATOM 344 O ASN A 21 1.572 12.413 -3.838 1.00 0.00 O ATOM 345 CB ASN A 21 3.474 10.979 -6.360 1.00 0.00 C ATOM 346 CG ASN A 21 4.894 10.979 -6.929 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.697 11.855 -6.606 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.252 10.054 -7.766 1.00 0.00 N ATOM 0 H ASN A 21 4.583 9.759 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 21 3.791 12.541 -4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.057 9.973 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.827 11.613 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.195 10.054 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.590 9.327 -8.036 1.00 0.00 H new ATOM 355 N LEU A 22 1.576 10.195 -4.257 1.00 0.00 N ATOM 356 CA LEU A 22 0.241 9.927 -3.713 1.00 0.00 C ATOM 357 C LEU A 22 -0.136 10.793 -2.528 1.00 0.00 C ATOM 358 O LEU A 22 0.701 11.144 -1.691 1.00 0.00 O ATOM 359 CB LEU A 22 0.178 8.480 -3.254 1.00 0.00 C ATOM 360 CG LEU A 22 0.265 7.571 -4.464 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.799 6.220 -4.028 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.123 7.410 -5.067 1.00 0.00 C ATOM 0 H LEU A 22 2.046 9.364 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.459 10.151 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.996 8.268 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.750 8.297 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 22 0.933 8.001 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.865 5.559 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.789 6.344 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.127 5.785 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.068 6.757 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.793 6.972 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.504 8.386 -5.368 1.00 0.00 H new ATOM 374 N ASN A 23 -1.435 11.052 -2.429 1.00 0.00 N ATOM 375 CA ASN A 23 -1.974 11.794 -1.310 1.00 0.00 C ATOM 376 C ASN A 23 -2.157 10.802 -0.194 1.00 0.00 C ATOM 377 O ASN A 23 -2.277 9.601 -0.449 1.00 0.00 O ATOM 378 CB ASN A 23 -3.307 12.459 -1.682 1.00 0.00 C ATOM 379 CG ASN A 23 -4.138 11.531 -2.561 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.893 10.710 -2.053 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.033 11.607 -3.860 1.00 0.00 N ATOM 0 H ASN A 23 -2.130 10.756 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.302 12.599 -1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.862 12.706 -0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.119 13.396 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.580 10.983 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.404 12.291 -4.282 1.00 0.00 H new ATOM 388 N SER A 24 -2.149 11.282 1.029 1.00 0.00 N ATOM 389 CA SER A 24 -2.284 10.392 2.160 1.00 0.00 C ATOM 390 C SER A 24 -3.484 9.471 1.984 1.00 0.00 C ATOM 391 O SER A 24 -3.430 8.325 2.373 1.00 0.00 O ATOM 392 CB SER A 24 -2.431 11.173 3.445 1.00 0.00 C ATOM 393 OG SER A 24 -1.329 12.059 3.592 1.00 0.00 O ATOM 0 H SER A 24 -2.052 12.270 1.265 1.00 0.00 H new ATOM 0 HA SER A 24 -1.378 9.788 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.365 11.736 3.436 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.478 10.491 4.294 1.00 0.00 H new ATOM 0 HG SER A 24 -1.426 12.566 4.425 1.00 0.00 H new ATOM 399 N LEU A 25 -4.556 9.969 1.380 1.00 0.00 N ATOM 400 CA LEU A 25 -5.745 9.154 1.165 1.00 0.00 C ATOM 401 C LEU A 25 -5.422 7.979 0.285 1.00 0.00 C ATOM 402 O LEU A 25 -5.773 6.866 0.620 1.00 0.00 O ATOM 403 CB LEU A 25 -6.835 9.967 0.485 1.00 0.00 C ATOM 404 CG LEU A 25 -7.405 11.046 1.416 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.349 12.110 1.742 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.563 11.723 0.693 1.00 0.00 C ATOM 0 H LEU A 25 -4.627 10.925 1.033 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.091 8.810 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.432 10.437 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.637 9.303 0.164 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.726 10.580 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.781 12.861 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.498 11.639 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.016 12.587 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.989 12.496 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.201 12.174 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.329 10.983 0.460 1.00 0.00 H new ATOM 418 N GLN A 26 -4.735 8.232 -0.826 1.00 0.00 N ATOM 419 CA GLN A 26 -4.356 7.158 -1.720 1.00 0.00 C ATOM 420 C GLN A 26 -3.407 6.240 -1.010 1.00 0.00 C ATOM 421 O GLN A 26 -3.549 5.028 -1.038 1.00 0.00 O ATOM 422 CB GLN A 26 -3.658 7.709 -2.937 1.00 0.00 C ATOM 423 CG GLN A 26 -4.689 8.278 -3.907 1.00 0.00 C ATOM 424 CD GLN A 26 -5.346 7.159 -4.723 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.232 5.978 -4.386 1.00 0.00 O ATOM 426 NE2 GLN A 26 -6.022 7.464 -5.793 1.00 0.00 N ATOM 0 H GLN A 26 -4.436 9.162 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.256 6.624 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.953 8.487 -2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.081 6.923 -3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.452 8.826 -3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.209 8.990 -4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.118 8.440 -6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.455 6.727 -6.350 1.00 0.00 H new ATOM 435 N VAL A 27 -2.464 6.866 -0.335 1.00 0.00 N ATOM 436 CA VAL A 27 -1.470 6.164 0.433 1.00 0.00 C ATOM 437 C VAL A 27 -2.184 5.282 1.445 1.00 0.00 C ATOM 438 O VAL A 27 -1.847 4.115 1.634 1.00 0.00 O ATOM 439 CB VAL A 27 -0.613 7.239 1.131 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.165 6.681 2.312 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.374 7.851 0.127 1.00 0.00 C ATOM 0 H VAL A 27 -2.370 7.881 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.834 5.527 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.297 7.999 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.753 7.477 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.530 6.275 3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.831 5.890 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.977 8.610 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.025 7.070 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.179 8.308 -0.694 1.00 0.00 H new ATOM 451 N VAL A 28 -3.199 5.862 2.055 1.00 0.00 N ATOM 452 CA VAL A 28 -4.029 5.163 3.022 1.00 0.00 C ATOM 453 C VAL A 28 -4.944 4.164 2.343 1.00 0.00 C ATOM 454 O VAL A 28 -5.242 3.099 2.881 1.00 0.00 O ATOM 455 CB VAL A 28 -4.784 6.142 3.895 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.593 5.355 4.930 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.741 6.998 4.613 1.00 0.00 C ATOM 0 H VAL A 28 -3.473 6.831 1.896 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.377 4.588 3.680 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.459 6.763 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.142 6.049 5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.296 4.697 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.917 4.758 5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.244 7.721 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.099 6.358 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.135 7.527 3.877 1.00 0.00 H new ATOM 467 N ALA A 29 -5.388 4.542 1.157 1.00 0.00 N ATOM 468 CA ALA A 29 -6.274 3.728 0.356 1.00 0.00 C ATOM 469 C ALA A 29 -5.648 2.383 0.190 1.00 0.00 C ATOM 470 O ALA A 29 -6.306 1.344 0.236 1.00 0.00 O ATOM 471 CB ALA A 29 -6.392 4.363 -1.017 1.00 0.00 C ATOM 0 H ALA A 29 -5.139 5.431 0.723 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.252 3.645 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.057 3.764 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.797 5.370 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.407 4.412 -1.481 1.00 0.00 H new ATOM 477 N PHE A 30 -4.346 2.433 0.024 1.00 0.00 N ATOM 478 CA PHE A 30 -3.574 1.266 -0.115 1.00 0.00 C ATOM 479 C PHE A 30 -3.513 0.540 1.181 1.00 0.00 C ATOM 480 O PHE A 30 -3.646 -0.675 1.186 1.00 0.00 O ATOM 481 CB PHE A 30 -2.201 1.659 -0.533 1.00 0.00 C ATOM 482 CG PHE A 30 -2.211 1.857 -2.000 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.405 0.770 -2.839 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.096 3.135 -2.514 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.462 0.966 -4.206 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.168 3.343 -3.871 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.345 2.255 -4.735 1.00 0.00 C ATOM 0 H PHE A 30 -3.810 3.300 -0.016 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.023 0.610 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.895 2.575 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.483 0.887 -0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.511 -0.223 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.949 3.972 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.597 0.122 -4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.088 4.343 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.391 2.411 -5.803 1.00 0.00 H new ATOM 497 N ILE A 31 -3.347 1.288 2.290 1.00 0.00 N ATOM 498 CA ILE A 31 -3.302 0.621 3.587 1.00 0.00 C ATOM 499 C ILE A 31 -4.578 -0.192 3.708 1.00 0.00 C ATOM 500 O ILE A 31 -4.590 -1.318 4.213 1.00 0.00 O ATOM 501 CB ILE A 31 -3.310 1.590 4.779 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.157 2.581 4.722 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.189 0.785 6.084 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.357 3.604 5.854 1.00 0.00 C ATOM 0 H ILE A 31 -3.247 2.303 2.309 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.380 0.040 3.622 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.245 2.149 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.204 2.065 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.132 3.082 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.194 1.467 6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.030 0.097 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.257 0.220 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.543 4.329 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.306 4.121 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.364 3.088 6.814 1.00 0.00 H new ATOM 516 N ASN A 32 -5.655 0.426 3.224 1.00 0.00 N ATOM 517 CA ASN A 32 -6.970 -0.180 3.249 1.00 0.00 C ATOM 518 C ASN A 32 -7.058 -1.383 2.324 1.00 0.00 C ATOM 519 O ASN A 32 -7.758 -2.350 2.627 1.00 0.00 O ATOM 520 CB ASN A 32 -8.006 0.871 2.856 1.00 0.00 C ATOM 521 CG ASN A 32 -8.404 1.702 4.071 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.155 1.236 4.927 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.938 2.912 4.198 1.00 0.00 N ATOM 0 H ASN A 32 -5.633 1.357 2.807 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.166 -0.540 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.599 1.520 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.886 0.385 2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.196 3.475 5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.316 3.296 3.487 1.00 0.00 H new ATOM 530 N SER A 33 -6.359 -1.333 1.197 1.00 0.00 N ATOM 531 CA SER A 33 -6.388 -2.445 0.272 1.00 0.00 C ATOM 532 C SER A 33 -5.601 -3.627 0.839 1.00 0.00 C ATOM 533 O SER A 33 -5.953 -4.784 0.607 1.00 0.00 O ATOM 534 CB SER A 33 -5.816 -2.012 -1.064 1.00 0.00 C ATOM 535 OG SER A 33 -6.402 -0.778 -1.456 1.00 0.00 O ATOM 0 H SER A 33 -5.776 -0.547 0.910 1.00 0.00 H new ATOM 0 HA SER A 33 -7.420 -2.763 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.734 -1.905 -0.990 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.010 -2.774 -1.818 1.00 0.00 H new ATOM 0 HG SER A 33 -6.150 -0.079 -0.817 1.00 0.00 H new ATOM 541 N LEU A 34 -4.526 -3.320 1.578 1.00 0.00 N ATOM 542 CA LEU A 34 -3.678 -4.384 2.173 1.00 0.00 C ATOM 543 C LEU A 34 -4.517 -5.303 3.053 1.00 0.00 C ATOM 544 O LEU A 34 -4.407 -6.520 2.978 1.00 0.00 O ATOM 545 CB LEU A 34 -2.557 -3.835 3.085 1.00 0.00 C ATOM 546 CG LEU A 34 -1.892 -2.576 2.527 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.649 -2.235 3.352 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.474 -2.781 1.078 1.00 0.00 C ATOM 0 H LEU A 34 -4.220 -2.368 1.780 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.238 -4.904 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.972 -3.614 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.800 -4.607 3.225 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.614 -1.762 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.180 -1.337 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.937 -2.060 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.057 -3.064 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.003 -1.872 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.766 -3.608 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.353 -3.010 0.475 1.00 0.00 H new ATOM 560 N ARG A 35 -5.350 -4.703 3.895 1.00 0.00 N ATOM 561 CA ARG A 35 -6.209 -5.478 4.790 1.00 0.00 C ATOM 562 C ARG A 35 -7.317 -6.153 4.005 1.00 0.00 C ATOM 563 O ARG A 35 -7.711 -7.280 4.312 1.00 0.00 O ATOM 564 CB ARG A 35 -6.775 -4.595 5.899 1.00 0.00 C ATOM 565 CG ARG A 35 -7.552 -3.411 5.312 1.00 0.00 C ATOM 566 CD ARG A 35 -8.038 -2.495 6.440 1.00 0.00 C ATOM 567 NE ARG A 35 -8.836 -1.398 5.896 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.019 -1.613 5.332 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.093 -1.645 6.066 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.104 -1.788 4.045 1.00 0.00 N ATOM 0 H ARG A 35 -5.451 -3.691 3.979 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.607 -6.255 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.431 -5.184 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.963 -4.227 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.916 -2.852 4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.402 -3.773 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.633 -3.068 7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.184 -2.096 6.987 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.476 -0.445 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.026 -1.505 7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.002 -1.810 5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.262 -1.760 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.012 -1.953 3.612 1.00 0.00 H new ATOM 584 N ASP A 36 -7.779 -5.470 2.962 1.00 0.00 N ATOM 585 CA ASP A 36 -8.803 -6.016 2.095 1.00 0.00 C ATOM 586 C ASP A 36 -8.225 -7.236 1.390 1.00 0.00 C ATOM 587 O ASP A 36 -8.959 -8.100 0.907 1.00 0.00 O ATOM 588 CB ASP A 36 -9.232 -4.959 1.069 1.00 0.00 C ATOM 589 CG ASP A 36 -10.449 -5.445 0.284 1.00 0.00 C ATOM 590 OD1 ASP A 36 -11.554 -5.277 0.774 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.258 -5.982 -0.796 1.00 0.00 O ATOM 0 H ASP A 36 -7.457 -4.538 2.702 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.680 -6.304 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.468 -4.024 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.409 -4.751 0.385 1.00 0.00 H new ATOM 596 N ASP A 37 -6.885 -7.280 1.348 1.00 0.00 N ATOM 597 CA ASP A 37 -6.165 -8.377 0.707 1.00 0.00 C ATOM 598 C ASP A 37 -4.647 -8.228 0.916 1.00 0.00 C ATOM 599 O ASP A 37 -3.990 -7.463 0.200 1.00 0.00 O ATOM 600 CB ASP A 37 -6.476 -8.383 -0.796 1.00 0.00 C ATOM 601 CG ASP A 37 -6.091 -9.732 -1.416 1.00 0.00 C ATOM 602 OD1 ASP A 37 -4.989 -10.194 -1.165 1.00 0.00 O ATOM 603 OD2 ASP A 37 -6.908 -10.284 -2.135 1.00 0.00 O ATOM 0 H ASP A 37 -6.282 -6.564 1.753 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.488 -9.316 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.537 -8.192 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.930 -7.579 -1.290 1.00 0.00 H new ATOM 608 N PRO A 38 -4.075 -8.933 1.875 1.00 0.00 N ATOM 609 CA PRO A 38 -2.609 -8.861 2.158 1.00 0.00 C ATOM 610 C PRO A 38 -1.790 -9.524 1.056 1.00 0.00 C ATOM 611 O PRO A 38 -0.698 -9.070 0.722 1.00 0.00 O ATOM 612 CB PRO A 38 -2.421 -9.596 3.490 1.00 0.00 C ATOM 613 CG PRO A 38 -3.771 -10.057 3.934 1.00 0.00 C ATOM 614 CD PRO A 38 -4.752 -9.871 2.777 1.00 0.00 C ATOM 0 HA PRO A 38 -2.265 -7.828 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.745 -10.443 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.976 -8.936 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.734 -11.104 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.099 -9.487 4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.965 -10.817 2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.705 -9.472 3.124 1.00 0.00 H new ATOM 622 N SER A 39 -2.343 -10.591 0.478 1.00 0.00 N ATOM 623 CA SER A 39 -1.673 -11.302 -0.602 1.00 0.00 C ATOM 624 C SER A 39 -1.459 -10.347 -1.760 1.00 0.00 C ATOM 625 O SER A 39 -0.498 -10.472 -2.522 1.00 0.00 O ATOM 626 CB SER A 39 -2.516 -12.496 -1.060 1.00 0.00 C ATOM 627 OG SER A 39 -2.889 -13.270 0.073 1.00 0.00 O ATOM 0 H SER A 39 -3.249 -10.978 0.741 1.00 0.00 H new ATOM 0 HA SER A 39 -0.713 -11.676 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.405 -12.148 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.950 -13.108 -1.762 1.00 0.00 H new ATOM 0 HG SER A 39 -3.430 -14.034 -0.217 1.00 0.00 H new ATOM 633 N GLN A 40 -2.372 -9.382 -1.868 1.00 0.00 N ATOM 634 CA GLN A 40 -2.306 -8.384 -2.914 1.00 0.00 C ATOM 635 C GLN A 40 -1.645 -7.101 -2.418 1.00 0.00 C ATOM 636 O GLN A 40 -1.647 -6.105 -3.131 1.00 0.00 O ATOM 637 CB GLN A 40 -3.710 -8.075 -3.440 1.00 0.00 C ATOM 638 CG GLN A 40 -4.245 -9.290 -4.206 1.00 0.00 C ATOM 639 CD GLN A 40 -5.639 -9.005 -4.756 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.410 -8.249 -4.162 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.006 -9.566 -5.871 1.00 0.00 N ATOM 0 H GLN A 40 -3.166 -9.277 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.698 -8.789 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.375 -7.832 -2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.682 -7.203 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.569 -9.538 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.278 -10.157 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.367 -10.191 -6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.933 -9.380 -6.254 1.00 0.00 H new ATOM 650 N SER A 41 -1.053 -7.124 -1.211 1.00 0.00 N ATOM 651 CA SER A 41 -0.382 -5.932 -0.685 1.00 0.00 C ATOM 652 C SER A 41 0.626 -5.472 -1.730 1.00 0.00 C ATOM 653 O SER A 41 0.801 -4.283 -1.959 1.00 0.00 O ATOM 654 CB SER A 41 0.331 -6.246 0.648 1.00 0.00 C ATOM 655 OG SER A 41 1.515 -6.983 0.379 1.00 0.00 O ATOM 0 H SER A 41 -1.027 -7.938 -0.596 1.00 0.00 H new ATOM 0 HA SER A 41 -1.112 -5.148 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.574 -5.321 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.328 -6.818 1.301 1.00 0.00 H new ATOM 0 HG SER A 41 2.263 -6.364 0.247 1.00 0.00 H new ATOM 661 N ALA A 42 1.239 -6.472 -2.370 1.00 0.00 N ATOM 662 CA ALA A 42 2.209 -6.287 -3.432 1.00 0.00 C ATOM 663 C ALA A 42 1.558 -5.768 -4.722 1.00 0.00 C ATOM 664 O ALA A 42 2.143 -4.948 -5.425 1.00 0.00 O ATOM 665 CB ALA A 42 2.874 -7.626 -3.732 1.00 0.00 C ATOM 0 H ALA A 42 1.064 -7.453 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 42 2.936 -5.548 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.606 -7.498 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.375 -7.993 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.118 -8.346 -4.045 1.00 0.00 H new ATOM 671 N ASN A 43 0.344 -6.252 -5.021 1.00 0.00 N ATOM 672 CA ASN A 43 -0.392 -5.833 -6.215 1.00 0.00 C ATOM 673 C ASN A 43 -0.827 -4.408 -6.030 1.00 0.00 C ATOM 674 O ASN A 43 -0.823 -3.588 -6.942 1.00 0.00 O ATOM 675 CB ASN A 43 -1.626 -6.703 -6.361 1.00 0.00 C ATOM 676 CG ASN A 43 -2.248 -6.529 -7.738 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.633 -6.856 -8.752 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.441 -6.026 -7.829 1.00 0.00 N ATOM 0 H ASN A 43 -0.148 -6.937 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 43 0.238 -5.927 -7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.360 -7.749 -6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.354 -6.442 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.873 -5.900 -8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.947 -5.757 -6.985 1.00 0.00 H new ATOM 685 N LEU A 44 -1.182 -4.153 -4.797 1.00 0.00 N ATOM 686 CA LEU A 44 -1.607 -2.854 -4.352 1.00 0.00 C ATOM 687 C LEU A 44 -0.422 -1.960 -4.377 1.00 0.00 C ATOM 688 O LEU A 44 -0.482 -0.813 -4.771 1.00 0.00 O ATOM 689 CB LEU A 44 -2.159 -3.011 -2.955 1.00 0.00 C ATOM 690 CG LEU A 44 -3.425 -3.834 -3.082 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.851 -4.411 -1.733 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.487 -2.929 -3.661 1.00 0.00 C ATOM 0 H LEU A 44 -1.183 -4.858 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.381 -2.423 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.437 -3.507 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.371 -2.039 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.261 -4.691 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.762 -4.996 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.059 -5.052 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.036 -3.598 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.419 -3.484 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.645 -2.081 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.164 -2.568 -4.637 1.00 0.00 H new ATOM 704 N LEU A 45 0.675 -2.552 -4.007 1.00 0.00 N ATOM 705 CA LEU A 45 1.932 -1.884 -4.036 1.00 0.00 C ATOM 706 C LEU A 45 2.229 -1.531 -5.472 1.00 0.00 C ATOM 707 O LEU A 45 2.715 -0.450 -5.791 1.00 0.00 O ATOM 708 CB LEU A 45 2.975 -2.873 -3.555 1.00 0.00 C ATOM 709 CG LEU A 45 3.840 -2.274 -2.489 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.505 -3.434 -1.734 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.863 -1.361 -3.176 1.00 0.00 C ATOM 0 H LEU A 45 0.718 -3.516 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 45 1.930 -0.988 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.483 -3.765 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.594 -3.189 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 45 3.280 -1.673 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.145 -3.036 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.737 -4.068 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.106 -4.023 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.510 -0.909 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.467 -1.947 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.341 -0.577 -3.724 1.00 0.00 H new ATOM 723 N ALA A 46 1.892 -2.489 -6.324 1.00 0.00 N ATOM 724 CA ALA A 46 2.070 -2.356 -7.748 1.00 0.00 C ATOM 725 C ALA A 46 1.215 -1.210 -8.234 1.00 0.00 C ATOM 726 O ALA A 46 1.657 -0.352 -8.993 1.00 0.00 O ATOM 727 CB ALA A 46 1.603 -3.642 -8.433 1.00 0.00 C ATOM 0 H ALA A 46 1.487 -3.380 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 46 3.119 -2.173 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.735 -3.549 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.191 -4.483 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.550 -3.811 -8.210 1.00 0.00 H new ATOM 733 N GLU A 47 -0.015 -1.205 -7.733 1.00 0.00 N ATOM 734 CA GLU A 47 -0.969 -0.183 -8.042 1.00 0.00 C ATOM 735 C GLU A 47 -0.452 1.133 -7.516 1.00 0.00 C ATOM 736 O GLU A 47 -0.520 2.140 -8.183 1.00 0.00 O ATOM 737 CB GLU A 47 -2.259 -0.553 -7.336 1.00 0.00 C ATOM 738 CG GLU A 47 -3.080 -1.517 -8.191 1.00 0.00 C ATOM 739 CD GLU A 47 -4.110 -2.240 -7.326 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.120 -1.634 -7.006 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.868 -3.387 -6.990 1.00 0.00 O ATOM 0 H GLU A 47 -0.367 -1.922 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.134 -0.094 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.035 -1.012 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.840 0.347 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.583 -0.970 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.422 -2.242 -8.669 1.00 0.00 H new ATOM 748 N ALA A 48 0.086 1.076 -6.314 1.00 0.00 N ATOM 749 CA ALA A 48 0.646 2.232 -5.646 1.00 0.00 C ATOM 750 C ALA A 48 1.751 2.840 -6.477 1.00 0.00 C ATOM 751 O ALA A 48 1.787 4.046 -6.690 1.00 0.00 O ATOM 752 CB ALA A 48 1.214 1.807 -4.304 1.00 0.00 C ATOM 0 H ALA A 48 0.147 0.216 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.142 2.972 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.637 2.674 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.420 1.380 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.994 1.061 -4.459 1.00 0.00 H new ATOM 758 N LYS A 49 2.632 1.982 -6.960 1.00 0.00 N ATOM 759 CA LYS A 49 3.727 2.429 -7.801 1.00 0.00 C ATOM 760 C LYS A 49 3.149 2.993 -9.087 1.00 0.00 C ATOM 761 O LYS A 49 3.630 3.998 -9.607 1.00 0.00 O ATOM 762 CB LYS A 49 4.686 1.267 -8.095 1.00 0.00 C ATOM 763 CG LYS A 49 5.432 0.882 -6.807 1.00 0.00 C ATOM 764 CD LYS A 49 6.416 -0.260 -7.092 1.00 0.00 C ATOM 765 CE LYS A 49 7.021 -0.766 -5.774 1.00 0.00 C ATOM 766 NZ LYS A 49 8.462 -1.088 -5.976 1.00 0.00 N ATOM 0 H LYS A 49 2.611 0.977 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 49 4.297 3.204 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.131 0.410 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.398 1.555 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.969 1.746 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.719 0.576 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.904 -1.075 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.207 0.087 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.913 -0.008 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.485 -1.651 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.870 -1.430 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.554 -1.825 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.969 -0.233 -6.283 1.00 0.00 H new ATOM 780 N LYS A 50 2.068 2.361 -9.561 1.00 0.00 N ATOM 781 CA LYS A 50 1.385 2.831 -10.753 1.00 0.00 C ATOM 782 C LYS A 50 0.663 4.135 -10.448 1.00 0.00 C ATOM 783 O LYS A 50 0.594 5.024 -11.279 1.00 0.00 O ATOM 784 CB LYS A 50 0.393 1.768 -11.251 1.00 0.00 C ATOM 785 CG LYS A 50 1.153 0.642 -11.970 1.00 0.00 C ATOM 786 CD LYS A 50 0.162 -0.327 -12.636 1.00 0.00 C ATOM 787 CE LYS A 50 -0.607 -1.117 -11.568 1.00 0.00 C ATOM 788 NZ LYS A 50 -1.146 -2.372 -12.167 1.00 0.00 N ATOM 0 H LYS A 50 1.657 1.530 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 50 2.118 3.010 -11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.170 1.361 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.330 2.222 -11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.819 1.065 -12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.777 0.102 -11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.537 0.229 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.698 -1.014 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.051 -1.354 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.422 -0.512 -11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.667 -2.907 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.787 -2.135 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.360 -2.951 -12.526 1.00 0.00 H new ATOM 802 N LEU A 51 0.127 4.211 -9.232 1.00 0.00 N ATOM 803 CA LEU A 51 -0.617 5.365 -8.747 1.00 0.00 C ATOM 804 C LEU A 51 0.289 6.553 -8.527 1.00 0.00 C ATOM 805 O LEU A 51 -0.018 7.682 -8.909 1.00 0.00 O ATOM 806 CB LEU A 51 -1.220 4.996 -7.392 1.00 0.00 C ATOM 807 CG LEU A 51 -2.705 4.649 -7.485 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.502 5.881 -7.946 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.898 3.450 -8.434 1.00 0.00 C ATOM 0 H LEU A 51 0.200 3.459 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.374 5.626 -9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.678 4.147 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.088 5.828 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.082 4.362 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.560 5.627 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.366 6.691 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.145 6.199 -8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.958 3.204 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.524 3.706 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.349 2.590 -8.050 1.00 0.00 H new ATOM 821 N ASN A 52 1.403 6.262 -7.883 1.00 0.00 N ATOM 822 CA ASN A 52 2.390 7.256 -7.556 1.00 0.00 C ATOM 823 C ASN A 52 2.901 7.882 -8.833 1.00 0.00 C ATOM 824 O ASN A 52 2.974 9.105 -8.968 1.00 0.00 O ATOM 825 CB ASN A 52 3.512 6.552 -6.784 1.00 0.00 C ATOM 826 CG ASN A 52 4.557 7.541 -6.286 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.314 8.283 -5.337 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.722 7.587 -6.870 1.00 0.00 N ATOM 0 H ASN A 52 1.644 5.321 -7.573 1.00 0.00 H new ATOM 0 HA ASN A 52 1.974 8.053 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.088 6.012 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.988 5.812 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.433 8.239 -6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.922 6.971 -7.658 1.00 0.00 H new ATOM 835 N ASP A 53 3.224 7.010 -9.768 1.00 0.00 N ATOM 836 CA ASP A 53 3.708 7.414 -11.061 1.00 0.00 C ATOM 837 C ASP A 53 2.605 8.038 -11.918 1.00 0.00 C ATOM 838 O ASP A 53 2.859 8.959 -12.697 1.00 0.00 O ATOM 839 CB ASP A 53 4.286 6.191 -11.783 1.00 0.00 C ATOM 840 CG ASP A 53 5.504 5.617 -11.035 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.030 6.284 -10.154 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.889 4.504 -11.357 1.00 0.00 O ATOM 0 H ASP A 53 3.156 6.000 -9.646 1.00 0.00 H new ATOM 0 HA ASP A 53 4.477 8.172 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.518 5.423 -11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.578 6.469 -12.796 1.00 0.00 H new ATOM 847 N ALA A 54 1.393 7.484 -11.808 1.00 0.00 N ATOM 848 CA ALA A 54 0.260 7.940 -12.626 1.00 0.00 C ATOM 849 C ALA A 54 -0.310 9.281 -12.211 1.00 0.00 C ATOM 850 O ALA A 54 -0.691 10.087 -13.064 1.00 0.00 O ATOM 851 CB ALA A 54 -0.869 6.939 -12.499 1.00 0.00 C ATOM 0 H ALA A 54 1.170 6.724 -11.165 1.00 0.00 H new ATOM 0 HA ALA A 54 0.649 8.036 -13.640 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.716 7.267 -13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.531 5.963 -12.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.174 6.865 -11.455 1.00 0.00 H new ATOM 857 N GLN A 55 -0.404 9.507 -10.910 1.00 0.00 N ATOM 858 CA GLN A 55 -0.975 10.743 -10.421 1.00 0.00 C ATOM 859 C GLN A 55 0.046 11.844 -10.458 1.00 0.00 C ATOM 860 O GLN A 55 -0.246 12.966 -10.879 1.00 0.00 O ATOM 861 CB GLN A 55 -1.435 10.568 -8.983 1.00 0.00 C ATOM 862 CG GLN A 55 -2.619 9.608 -8.893 1.00 0.00 C ATOM 863 CD GLN A 55 -3.099 9.548 -7.446 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.079 8.875 -7.144 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.469 10.237 -6.529 1.00 0.00 N ATOM 0 H GLN A 55 -0.096 8.858 -10.186 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.820 11.002 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.611 10.190 -8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.716 11.536 -8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.426 9.943 -9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.326 8.615 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.654 10.796 -6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.793 10.215 -5.562 1.00 0.00 H new ATOM 874 N ALA A 56 1.237 11.500 -9.977 1.00 0.00 N ATOM 875 CA ALA A 56 2.346 12.452 -9.889 1.00 0.00 C ATOM 876 C ALA A 56 1.818 13.852 -9.507 1.00 0.00 C ATOM 877 O ALA A 56 2.117 14.840 -10.184 1.00 0.00 O ATOM 878 CB ALA A 56 3.094 12.497 -11.224 1.00 0.00 C ATOM 0 H ALA A 56 1.462 10.564 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 56 3.039 12.128 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.919 13.206 -11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.486 11.506 -11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.411 12.810 -12.013 1.00 0.00 H new