USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 177:sc= -0.201 (180deg=-0.225) USER MOD Single : A 2 ASN : amide:sc= -0.0584 K(o=-0.058,f=-1.5!) USER MOD Single : A 4 SER OG : rot 170:sc= -0.0576 USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.377) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -157:sc= -0.2 (180deg=-0.806) USER MOD Single : A 14 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 24 ASN : amide:sc= -2.39 K(o=-2.4,f=-9.9!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.000735 USER MOD Single : A 39 TYR OH : rot 180:sc= 0.624 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.129 F(o=-0.82,f=-0.13) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 2.53 (180deg=1.24) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 0.148 (180deg=0.0109) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -0.353 (180deg=-1.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.079 -15.759 7.048 1.00 0.00 N ATOM 2 CA ARG A 1 -5.461 -15.219 6.905 1.00 0.00 C ATOM 3 C ARG A 1 -5.935 -14.471 8.160 1.00 0.00 C ATOM 4 O ARG A 1 -6.785 -13.587 8.065 1.00 0.00 O ATOM 5 CB ARG A 1 -6.449 -16.337 6.554 1.00 0.00 C ATOM 6 CG ARG A 1 -6.307 -17.592 7.399 1.00 0.00 C ATOM 7 CD ARG A 1 -7.305 -18.662 6.976 1.00 0.00 C ATOM 8 NE ARG A 1 -8.663 -18.347 7.408 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.598 -17.885 6.618 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.367 -17.697 5.357 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.771 -17.612 7.092 1.00 0.00 N ATOM 0 H1 ARG A 1 -3.827 -16.297 6.195 1.00 0.00 H new ATOM 0 H2 ARG A 1 -3.410 -14.972 7.172 1.00 0.00 H new ATOM 0 H3 ARG A 1 -4.035 -16.385 7.878 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.430 -14.497 6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.464 -15.955 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.319 -16.604 5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.293 -17.981 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.460 -17.345 8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -7.285 -18.767 5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.005 -19.623 7.395 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.898 -18.497 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.448 -17.910 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -10.104 -17.336 4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -10.967 -17.757 8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.499 -17.252 6.475 1.00 0.00 H new ATOM 27 N ASN A 2 -5.397 -14.825 9.333 1.00 0.00 N ATOM 28 CA ASN A 2 -5.778 -14.157 10.587 1.00 0.00 C ATOM 29 C ASN A 2 -5.561 -12.645 10.487 1.00 0.00 C ATOM 30 O ASN A 2 -6.486 -11.858 10.693 1.00 0.00 O ATOM 31 CB ASN A 2 -4.982 -14.724 11.762 1.00 0.00 C ATOM 32 CG ASN A 2 -5.483 -16.088 12.180 1.00 0.00 C ATOM 33 OD1 ASN A 2 -6.652 -16.411 12.009 1.00 0.00 O ATOM 34 ND2 ASN A 2 -4.608 -16.896 12.736 1.00 0.00 N ATOM 0 H ASN A 2 -4.702 -15.564 9.442 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.838 -14.344 10.758 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.929 -14.793 11.487 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.046 -14.039 12.608 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.895 -17.826 13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.642 -16.593 12.862 1.00 0.00 H new ATOM 41 N LEU A 3 -4.335 -12.248 10.180 1.00 0.00 N ATOM 42 CA LEU A 3 -4.018 -10.837 10.007 1.00 0.00 C ATOM 43 C LEU A 3 -4.473 -10.403 8.613 1.00 0.00 C ATOM 44 O LEU A 3 -3.934 -10.859 7.606 1.00 0.00 O ATOM 45 CB LEU A 3 -2.516 -10.599 10.184 1.00 0.00 C ATOM 46 CG LEU A 3 -1.924 -11.135 11.490 1.00 0.00 C ATOM 47 CD1 LEU A 3 -0.414 -10.965 11.502 1.00 0.00 C ATOM 48 CD2 LEU A 3 -2.549 -10.434 12.689 1.00 0.00 C ATOM 0 H LEU A 3 -3.546 -12.880 10.046 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.537 -10.247 10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.990 -11.060 9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.325 -9.527 10.129 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.151 -12.199 11.557 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.012 -11.352 12.438 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.021 -11.513 10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.166 -9.908 11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.115 -10.829 13.608 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.355 -9.363 12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.625 -10.608 12.692 1.00 0.00 H new ATOM 60 N SER A 4 -5.479 -9.544 8.553 1.00 0.00 N ATOM 61 CA SER A 4 -6.019 -9.103 7.266 1.00 0.00 C ATOM 62 C SER A 4 -5.156 -8.042 6.583 1.00 0.00 C ATOM 63 O SER A 4 -5.416 -6.841 6.687 1.00 0.00 O ATOM 64 CB SER A 4 -7.444 -8.578 7.420 1.00 0.00 C ATOM 65 OG SER A 4 -8.063 -8.415 6.153 1.00 0.00 O ATOM 0 H SER A 4 -5.938 -9.139 9.369 1.00 0.00 H new ATOM 0 HA SER A 4 -6.019 -9.986 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.027 -9.270 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.430 -7.624 7.948 1.00 0.00 H new ATOM 0 HG SER A 4 -9.018 -8.235 6.276 1.00 0.00 H new ATOM 71 N ASP A 5 -4.127 -8.497 5.882 1.00 0.00 N ATOM 72 CA ASP A 5 -3.244 -7.605 5.142 1.00 0.00 C ATOM 73 C ASP A 5 -3.998 -7.014 3.947 1.00 0.00 C ATOM 74 O ASP A 5 -3.803 -5.855 3.577 1.00 0.00 O ATOM 75 CB ASP A 5 -2.012 -8.366 4.645 1.00 0.00 C ATOM 76 CG ASP A 5 -1.551 -9.429 5.615 1.00 0.00 C ATOM 77 OD1 ASP A 5 -0.753 -9.109 6.519 1.00 0.00 O ATOM 78 OD2 ASP A 5 -1.981 -10.592 5.470 1.00 0.00 O ATOM 0 H ASP A 5 -3.882 -9.484 5.810 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.918 -6.803 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.240 -8.830 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.199 -7.660 4.473 1.00 0.00 H new ATOM 83 N ARG A 6 -4.876 -7.830 3.362 1.00 0.00 N ATOM 84 CA ARG A 6 -5.681 -7.422 2.209 1.00 0.00 C ATOM 85 C ARG A 6 -6.587 -6.232 2.528 1.00 0.00 C ATOM 86 O ARG A 6 -6.527 -5.208 1.844 1.00 0.00 O ATOM 87 CB ARG A 6 -6.530 -8.591 1.708 1.00 0.00 C ATOM 88 CG ARG A 6 -6.001 -9.225 0.431 1.00 0.00 C ATOM 89 CD ARG A 6 -5.799 -8.189 -0.664 1.00 0.00 C ATOM 90 NE ARG A 6 -7.047 -7.518 -1.024 1.00 0.00 N ATOM 91 CZ ARG A 6 -7.720 -7.740 -2.120 1.00 0.00 C ATOM 92 NH1 ARG A 6 -7.325 -8.620 -2.986 1.00 0.00 N ATOM 93 NH2 ARG A 6 -8.810 -7.081 -2.337 1.00 0.00 N ATOM 0 H ARG A 6 -5.049 -8.786 3.671 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.984 -7.113 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.581 -9.352 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.548 -8.242 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.056 -9.727 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.699 -9.988 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.072 -7.448 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.380 -8.672 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.418 -6.827 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.473 -9.155 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.866 -8.778 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.136 -6.396 -1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.344 -7.246 -3.190 1.00 0.00 H new ATOM 107 N ALA A 7 -7.424 -6.371 3.556 1.00 0.00 N ATOM 108 CA ALA A 7 -8.334 -5.295 3.951 1.00 0.00 C ATOM 109 C ALA A 7 -7.560 -4.027 4.309 1.00 0.00 C ATOM 110 O ALA A 7 -7.946 -2.928 3.919 1.00 0.00 O ATOM 111 CB ALA A 7 -9.206 -5.729 5.118 1.00 0.00 C ATOM 0 H ALA A 7 -7.491 -7.213 4.128 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.978 -5.073 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.875 -4.914 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.795 -6.599 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.574 -5.985 5.969 1.00 0.00 H new ATOM 117 N LYS A 8 -6.460 -4.188 5.042 1.00 0.00 N ATOM 118 CA LYS A 8 -5.618 -3.054 5.428 1.00 0.00 C ATOM 119 C LYS A 8 -5.075 -2.326 4.192 1.00 0.00 C ATOM 120 O LYS A 8 -5.113 -1.098 4.110 1.00 0.00 O ATOM 121 CB LYS A 8 -4.449 -3.539 6.285 1.00 0.00 C ATOM 122 CG LYS A 8 -4.514 -3.084 7.732 1.00 0.00 C ATOM 123 CD LYS A 8 -3.185 -3.310 8.433 1.00 0.00 C ATOM 124 CE LYS A 8 -3.231 -2.866 9.884 1.00 0.00 C ATOM 125 NZ LYS A 8 -1.877 -2.842 10.493 1.00 0.00 N ATOM 0 H LYS A 8 -6.130 -5.092 5.381 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.231 -2.358 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.420 -4.628 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.517 -3.184 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.776 -2.027 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.302 -3.628 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.923 -4.367 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.400 -2.763 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.676 -1.873 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.873 -3.540 10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.952 -3.024 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.285 -3.576 10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.444 -1.909 10.339 1.00 0.00 H new ATOM 139 N PHE A 9 -4.580 -3.105 3.233 1.00 0.00 N ATOM 140 CA PHE A 9 -4.027 -2.578 1.983 1.00 0.00 C ATOM 141 C PHE A 9 -5.032 -1.693 1.240 1.00 0.00 C ATOM 142 O PHE A 9 -4.801 -0.499 1.042 1.00 0.00 O ATOM 143 CB PHE A 9 -3.622 -3.743 1.085 1.00 0.00 C ATOM 144 CG PHE A 9 -2.795 -3.350 -0.106 1.00 0.00 C ATOM 145 CD1 PHE A 9 -1.428 -3.163 0.015 1.00 0.00 C ATOM 146 CD2 PHE A 9 -3.385 -3.171 -1.348 1.00 0.00 C ATOM 147 CE1 PHE A 9 -0.666 -2.804 -1.080 1.00 0.00 C ATOM 148 CE2 PHE A 9 -2.628 -2.812 -2.445 1.00 0.00 C ATOM 149 CZ PHE A 9 -1.266 -2.627 -2.311 1.00 0.00 C ATOM 0 H PHE A 9 -4.550 -4.122 3.299 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.162 -1.964 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.062 -4.466 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.523 -4.247 0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.953 -3.299 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.450 -3.314 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.399 -2.662 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.100 -2.676 -3.407 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.671 -2.344 -3.167 1.00 0.00 H new ATOM 159 N GLU A 10 -6.150 -2.286 0.837 1.00 0.00 N ATOM 160 CA GLU A 10 -7.188 -1.553 0.111 1.00 0.00 C ATOM 161 C GLU A 10 -7.844 -0.475 0.984 1.00 0.00 C ATOM 162 O GLU A 10 -8.534 0.411 0.480 1.00 0.00 O ATOM 163 CB GLU A 10 -8.245 -2.523 -0.425 1.00 0.00 C ATOM 164 CG GLU A 10 -8.802 -3.470 0.624 1.00 0.00 C ATOM 165 CD GLU A 10 -9.606 -4.596 0.014 1.00 0.00 C ATOM 166 OE1 GLU A 10 -10.729 -4.338 -0.463 1.00 0.00 O ATOM 167 OE2 GLU A 10 -9.119 -5.745 0.003 1.00 0.00 O ATOM 0 H GLU A 10 -6.363 -3.270 0.999 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.709 -1.047 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.066 -1.949 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.809 -3.109 -1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.980 -3.887 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.431 -2.911 1.317 1.00 0.00 H new ATOM 174 N SER A 11 -7.632 -0.554 2.294 1.00 0.00 N ATOM 175 CA SER A 11 -8.204 0.434 3.217 1.00 0.00 C ATOM 176 C SER A 11 -7.374 1.704 3.177 1.00 0.00 C ATOM 177 O SER A 11 -7.891 2.816 3.064 1.00 0.00 O ATOM 178 CB SER A 11 -8.256 -0.100 4.649 1.00 0.00 C ATOM 179 OG SER A 11 -8.892 0.821 5.527 1.00 0.00 O ATOM 0 H SER A 11 -7.075 -1.282 2.742 1.00 0.00 H new ATOM 0 HA SER A 11 -9.225 0.644 2.899 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.792 -1.049 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.244 -0.300 5.001 1.00 0.00 H new ATOM 0 HG SER A 11 -8.910 0.449 6.434 1.00 0.00 H new ATOM 185 N MET A 12 -6.070 1.509 3.270 1.00 0.00 N ATOM 186 CA MET A 12 -5.107 2.594 3.231 1.00 0.00 C ATOM 187 C MET A 12 -5.042 3.211 1.834 1.00 0.00 C ATOM 188 O MET A 12 -4.903 4.424 1.676 1.00 0.00 O ATOM 189 CB MET A 12 -3.742 2.037 3.606 1.00 0.00 C ATOM 190 CG MET A 12 -3.101 2.728 4.797 1.00 0.00 C ATOM 191 SD MET A 12 -1.701 1.808 5.471 1.00 0.00 S ATOM 192 CE MET A 12 -2.524 0.348 6.105 1.00 0.00 C ATOM 0 H MET A 12 -5.648 0.587 3.375 1.00 0.00 H new ATOM 0 HA MET A 12 -5.410 3.372 3.932 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.842 0.974 3.826 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.077 2.124 2.747 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.767 3.721 4.498 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.849 2.865 5.578 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.910 -0.107 6.882 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.491 0.628 6.523 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.672 -0.366 5.295 1.00 0.00 H new ATOM 202 N ILE A 13 -5.151 2.356 0.824 1.00 0.00 N ATOM 203 CA ILE A 13 -5.100 2.787 -0.566 1.00 0.00 C ATOM 204 C ILE A 13 -6.373 3.551 -0.981 1.00 0.00 C ATOM 205 O ILE A 13 -6.384 4.260 -1.989 1.00 0.00 O ATOM 206 CB ILE A 13 -4.875 1.571 -1.506 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.830 1.903 -2.568 1.00 0.00 C ATOM 208 CG2 ILE A 13 -6.172 1.107 -2.162 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.411 1.802 -2.056 1.00 0.00 C ATOM 0 H ILE A 13 -5.276 1.351 0.945 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.258 3.473 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.509 0.749 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.953 1.227 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.005 2.913 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.967 0.255 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.885 0.813 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.592 1.921 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.716 2.050 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.272 2.498 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.220 0.786 -1.712 1.00 0.00 H new ATOM 221 N ASN A 14 -7.436 3.412 -0.190 1.00 0.00 N ATOM 222 CA ASN A 14 -8.718 4.057 -0.484 1.00 0.00 C ATOM 223 C ASN A 14 -8.674 5.587 -0.322 1.00 0.00 C ATOM 224 O ASN A 14 -8.603 6.103 0.795 1.00 0.00 O ATOM 225 CB ASN A 14 -9.811 3.470 0.415 1.00 0.00 C ATOM 226 CG ASN A 14 -11.170 4.099 0.180 1.00 0.00 C ATOM 227 OD1 ASN A 14 -11.880 4.436 1.122 1.00 0.00 O ATOM 228 ND2 ASN A 14 -11.559 4.249 -1.070 1.00 0.00 N ATOM 0 H ASN A 14 -7.436 2.855 0.665 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.941 3.857 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.879 2.396 0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.528 3.607 1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.472 4.655 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.947 3.959 -1.833 1.00 0.00 H new ATOM 235 N SER A 15 -8.722 6.291 -1.457 1.00 0.00 N ATOM 236 CA SER A 15 -8.718 7.768 -1.503 1.00 0.00 C ATOM 237 C SER A 15 -7.644 8.408 -0.604 1.00 0.00 C ATOM 238 O SER A 15 -7.954 9.010 0.427 1.00 0.00 O ATOM 239 CB SER A 15 -10.099 8.314 -1.126 1.00 0.00 C ATOM 240 OG SER A 15 -10.179 9.715 -1.339 1.00 0.00 O ATOM 0 H SER A 15 -8.765 5.856 -2.378 1.00 0.00 H new ATOM 0 HA SER A 15 -8.472 8.039 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.864 7.811 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.306 8.091 -0.079 1.00 0.00 H new ATOM 0 HG SER A 15 -11.072 10.033 -1.091 1.00 0.00 H new ATOM 246 N PRO A 16 -6.362 8.281 -0.974 1.00 0.00 N ATOM 247 CA PRO A 16 -5.259 8.852 -0.218 1.00 0.00 C ATOM 248 C PRO A 16 -4.734 10.174 -0.809 1.00 0.00 C ATOM 249 O PRO A 16 -5.435 10.870 -1.542 1.00 0.00 O ATOM 250 CB PRO A 16 -4.204 7.752 -0.352 1.00 0.00 C ATOM 251 CG PRO A 16 -4.489 7.080 -1.669 1.00 0.00 C ATOM 252 CD PRO A 16 -5.860 7.535 -2.128 1.00 0.00 C ATOM 0 HA PRO A 16 -5.539 9.113 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.197 8.169 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.270 7.043 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.731 7.345 -2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.462 5.996 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.800 8.161 -3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.504 6.691 -2.374 1.00 0.00 H new ATOM 260 N SER A 17 -3.496 10.508 -0.472 1.00 0.00 N ATOM 261 CA SER A 17 -2.838 11.724 -0.965 1.00 0.00 C ATOM 262 C SER A 17 -1.340 11.458 -1.086 1.00 0.00 C ATOM 263 O SER A 17 -0.869 10.459 -0.568 1.00 0.00 O ATOM 264 CB SER A 17 -3.078 12.900 -0.014 1.00 0.00 C ATOM 265 OG SER A 17 -3.834 13.924 -0.635 1.00 0.00 O ATOM 0 H SER A 17 -2.914 9.948 0.151 1.00 0.00 H new ATOM 0 HA SER A 17 -3.255 11.984 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.601 12.549 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.121 13.303 0.317 1.00 0.00 H new ATOM 0 HG SER A 17 -3.971 14.659 -0.002 1.00 0.00 H new ATOM 271 N LYS A 18 -0.591 12.330 -1.753 1.00 0.00 N ATOM 272 CA LYS A 18 0.857 12.115 -1.902 1.00 0.00 C ATOM 273 C LYS A 18 1.559 11.967 -0.538 1.00 0.00 C ATOM 274 O LYS A 18 2.198 10.948 -0.271 1.00 0.00 O ATOM 275 CB LYS A 18 1.501 13.233 -2.739 1.00 0.00 C ATOM 276 CG LYS A 18 1.348 14.635 -2.167 1.00 0.00 C ATOM 277 CD LYS A 18 1.743 15.688 -3.188 1.00 0.00 C ATOM 278 CE LYS A 18 2.102 17.010 -2.532 1.00 0.00 C ATOM 279 NZ LYS A 18 3.479 16.999 -1.968 1.00 0.00 N ATOM 0 H LYS A 18 -0.947 13.178 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 18 0.990 11.175 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.563 13.016 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.065 13.215 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.315 14.794 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.968 14.737 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.593 15.329 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.921 15.842 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.017 17.813 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.387 17.226 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.682 17.920 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.554 16.250 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.164 16.819 -2.729 1.00 0.00 H new ATOM 293 N SER A 19 1.408 12.965 0.333 1.00 0.00 N ATOM 294 CA SER A 19 2.016 12.933 1.669 1.00 0.00 C ATOM 295 C SER A 19 1.430 11.798 2.514 1.00 0.00 C ATOM 296 O SER A 19 2.147 11.121 3.261 1.00 0.00 O ATOM 297 CB SER A 19 1.801 14.271 2.380 1.00 0.00 C ATOM 298 OG SER A 19 0.523 14.812 2.075 1.00 0.00 O ATOM 0 H SER A 19 0.869 13.809 0.139 1.00 0.00 H new ATOM 0 HA SER A 19 3.085 12.756 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.893 14.133 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.578 14.974 2.081 1.00 0.00 H new ATOM 0 HG SER A 19 0.409 15.666 2.542 1.00 0.00 H new ATOM 304 N VAL A 20 0.120 11.601 2.389 1.00 0.00 N ATOM 305 CA VAL A 20 -0.576 10.540 3.112 1.00 0.00 C ATOM 306 C VAL A 20 -0.075 9.164 2.664 1.00 0.00 C ATOM 307 O VAL A 20 0.125 8.267 3.477 1.00 0.00 O ATOM 308 CB VAL A 20 -2.105 10.618 2.898 1.00 0.00 C ATOM 309 CG1 VAL A 20 -2.821 9.506 3.650 1.00 0.00 C ATOM 310 CG2 VAL A 20 -2.636 11.976 3.326 1.00 0.00 C ATOM 0 H VAL A 20 -0.483 12.165 1.791 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.364 10.679 4.172 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.302 10.487 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.895 9.586 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.468 8.539 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.614 9.596 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.714 12.012 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.419 12.135 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.157 12.757 2.735 1.00 0.00 H new ATOM 320 N PHE A 21 0.138 9.012 1.364 1.00 0.00 N ATOM 321 CA PHE A 21 0.616 7.757 0.805 1.00 0.00 C ATOM 322 C PHE A 21 1.988 7.368 1.350 1.00 0.00 C ATOM 323 O PHE A 21 2.200 6.225 1.676 1.00 0.00 O ATOM 324 CB PHE A 21 0.675 7.833 -0.716 1.00 0.00 C ATOM 325 CG PHE A 21 0.927 6.507 -1.368 1.00 0.00 C ATOM 326 CD1 PHE A 21 -0.032 5.509 -1.331 1.00 0.00 C ATOM 327 CD2 PHE A 21 2.124 6.257 -2.012 1.00 0.00 C ATOM 328 CE1 PHE A 21 0.199 4.287 -1.927 1.00 0.00 C ATOM 329 CE2 PHE A 21 2.361 5.038 -2.610 1.00 0.00 C ATOM 330 CZ PHE A 21 1.399 4.050 -2.568 1.00 0.00 C ATOM 0 H PHE A 21 -0.014 9.748 0.674 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.096 6.988 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.265 8.240 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.462 8.529 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.971 5.690 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.882 7.025 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.557 3.517 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.300 4.856 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.584 3.094 -3.035 1.00 0.00 H new ATOM 340 N VAL A 22 2.928 8.301 1.447 1.00 0.00 N ATOM 341 CA VAL A 22 4.257 7.946 1.976 1.00 0.00 C ATOM 342 C VAL A 22 4.193 7.515 3.453 1.00 0.00 C ATOM 343 O VAL A 22 4.735 6.461 3.836 1.00 0.00 O ATOM 344 CB VAL A 22 5.295 9.083 1.845 1.00 0.00 C ATOM 345 CG1 VAL A 22 6.530 8.579 1.119 1.00 0.00 C ATOM 346 CG2 VAL A 22 4.722 10.296 1.135 1.00 0.00 C ATOM 0 H VAL A 22 2.811 9.278 1.179 1.00 0.00 H new ATOM 0 HA VAL A 22 4.583 7.110 1.357 1.00 0.00 H new ATOM 0 HB VAL A 22 5.571 9.397 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.256 9.387 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.971 7.755 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.251 8.233 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.485 11.071 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.399 10.013 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.869 10.677 1.697 1.00 0.00 H new ATOM 356 N ARG A 23 3.501 8.311 4.276 1.00 0.00 N ATOM 357 CA ARG A 23 3.387 8.009 5.707 1.00 0.00 C ATOM 358 C ARG A 23 2.755 6.629 5.956 1.00 0.00 C ATOM 359 O ARG A 23 3.088 5.961 6.936 1.00 0.00 O ATOM 360 CB ARG A 23 2.617 9.107 6.455 1.00 0.00 C ATOM 361 CG ARG A 23 1.206 9.342 5.948 1.00 0.00 C ATOM 362 CD ARG A 23 0.408 10.232 6.887 1.00 0.00 C ATOM 363 NE ARG A 23 0.886 11.610 6.898 1.00 0.00 N ATOM 364 CZ ARG A 23 1.447 12.177 7.931 1.00 0.00 C ATOM 365 NH1 ARG A 23 1.653 11.503 9.019 1.00 0.00 N ATOM 366 NH2 ARG A 23 1.808 13.421 7.873 1.00 0.00 N ATOM 0 H ARG A 23 3.017 9.159 3.981 1.00 0.00 H new ATOM 0 HA ARG A 23 4.402 7.980 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.571 8.845 7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.176 10.040 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.247 9.801 4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.697 8.385 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.641 10.218 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.459 9.826 7.897 1.00 0.00 H new ATOM 0 HE ARG A 23 0.775 12.163 6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.376 10.523 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.092 11.953 9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.654 13.958 7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.246 13.863 8.681 1.00 0.00 H new ATOM 380 N ASN A 24 1.846 6.195 5.084 1.00 0.00 N ATOM 381 CA ASN A 24 1.243 4.872 5.245 1.00 0.00 C ATOM 382 C ASN A 24 1.928 3.835 4.338 1.00 0.00 C ATOM 383 O ASN A 24 1.776 2.632 4.536 1.00 0.00 O ATOM 384 CB ASN A 24 -0.281 4.894 5.030 1.00 0.00 C ATOM 385 CG ASN A 24 -0.736 5.432 3.691 1.00 0.00 C ATOM 386 OD1 ASN A 24 -0.065 5.302 2.684 1.00 0.00 O ATOM 387 ND2 ASN A 24 -1.910 6.027 3.671 1.00 0.00 N ATOM 0 H ASN A 24 1.517 6.725 4.277 1.00 0.00 H new ATOM 0 HA ASN A 24 1.407 4.570 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.662 3.879 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.734 5.495 5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.281 6.394 2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.449 6.121 4.532 1.00 0.00 H new ATOM 394 N LEU A 25 2.693 4.321 3.355 1.00 0.00 N ATOM 395 CA LEU A 25 3.442 3.474 2.420 1.00 0.00 C ATOM 396 C LEU A 25 4.349 2.509 3.159 1.00 0.00 C ATOM 397 O LEU A 25 4.523 1.383 2.728 1.00 0.00 O ATOM 398 CB LEU A 25 4.287 4.329 1.469 1.00 0.00 C ATOM 399 CG LEU A 25 5.053 3.562 0.391 1.00 0.00 C ATOM 400 CD1 LEU A 25 4.095 2.809 -0.517 1.00 0.00 C ATOM 401 CD2 LEU A 25 5.918 4.516 -0.419 1.00 0.00 C ATOM 0 H LEU A 25 2.811 5.320 3.184 1.00 0.00 H new ATOM 0 HA LEU A 25 2.712 2.904 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.632 5.050 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.003 4.899 2.061 1.00 0.00 H new ATOM 0 HG LEU A 25 5.700 2.834 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.661 2.270 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.515 2.100 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.421 3.516 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.458 3.957 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.286 5.265 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.631 5.010 0.241 1.00 0.00 H new ATOM 413 N ASN A 26 4.958 2.967 4.248 1.00 0.00 N ATOM 414 CA ASN A 26 5.825 2.093 5.053 1.00 0.00 C ATOM 415 C ASN A 26 5.131 0.737 5.337 1.00 0.00 C ATOM 416 O ASN A 26 5.611 -0.333 4.924 1.00 0.00 O ATOM 417 CB ASN A 26 6.197 2.782 6.365 1.00 0.00 C ATOM 418 CG ASN A 26 7.316 2.066 7.088 1.00 0.00 C ATOM 419 OD1 ASN A 26 7.082 1.153 7.871 1.00 0.00 O ATOM 420 ND2 ASN A 26 8.541 2.481 6.843 1.00 0.00 N ATOM 0 H ASN A 26 4.874 3.922 4.595 1.00 0.00 H new ATOM 0 HA ASN A 26 6.735 1.898 4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.497 3.810 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.320 2.828 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.332 2.039 7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.699 3.244 6.185 1.00 0.00 H new ATOM 427 N GLU A 27 3.985 0.786 6.012 1.00 0.00 N ATOM 428 CA GLU A 27 3.229 -0.428 6.318 1.00 0.00 C ATOM 429 C GLU A 27 2.582 -0.978 5.045 1.00 0.00 C ATOM 430 O GLU A 27 2.482 -2.187 4.856 1.00 0.00 O ATOM 431 CB GLU A 27 2.160 -0.147 7.381 1.00 0.00 C ATOM 432 CG GLU A 27 1.220 -1.319 7.628 1.00 0.00 C ATOM 433 CD GLU A 27 0.666 -1.338 9.035 1.00 0.00 C ATOM 434 OE1 GLU A 27 1.391 -1.771 9.953 1.00 0.00 O ATOM 435 OE2 GLU A 27 -0.494 -0.924 9.236 1.00 0.00 O ATOM 0 H GLU A 27 3.561 1.647 6.356 1.00 0.00 H new ATOM 0 HA GLU A 27 3.917 -1.174 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.652 0.117 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.574 0.719 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.394 -1.273 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.752 -2.252 7.439 1.00 0.00 H new ATOM 442 N LEU A 28 2.158 -0.069 4.171 1.00 0.00 N ATOM 443 CA LEU A 28 1.540 -0.437 2.899 1.00 0.00 C ATOM 444 C LEU A 28 2.477 -1.327 2.066 1.00 0.00 C ATOM 445 O LEU A 28 2.044 -2.308 1.457 1.00 0.00 O ATOM 446 CB LEU A 28 1.163 0.832 2.126 1.00 0.00 C ATOM 447 CG LEU A 28 -0.332 1.160 2.101 1.00 0.00 C ATOM 448 CD1 LEU A 28 -0.587 2.416 1.287 1.00 0.00 C ATOM 449 CD2 LEU A 28 -1.129 -0.008 1.541 1.00 0.00 C ATOM 0 H LEU A 28 2.232 0.937 4.322 1.00 0.00 H new ATOM 0 HA LEU A 28 0.636 -1.012 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.697 1.676 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.514 0.730 1.099 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.660 1.339 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.655 2.634 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.048 3.253 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.241 2.264 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.189 0.246 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.798 -0.220 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.972 -0.888 2.165 1.00 0.00 H new ATOM 461 N GLU A 29 3.762 -0.981 2.057 1.00 0.00 N ATOM 462 CA GLU A 29 4.777 -1.750 1.340 1.00 0.00 C ATOM 463 C GLU A 29 4.933 -3.131 1.966 1.00 0.00 C ATOM 464 O GLU A 29 5.028 -4.138 1.260 1.00 0.00 O ATOM 465 CB GLU A 29 6.123 -1.021 1.369 1.00 0.00 C ATOM 466 CG GLU A 29 6.251 0.079 0.327 1.00 0.00 C ATOM 467 CD GLU A 29 6.908 -0.395 -0.953 1.00 0.00 C ATOM 468 OE1 GLU A 29 6.797 -1.594 -1.284 1.00 0.00 O ATOM 469 OE2 GLU A 29 7.548 0.430 -1.635 1.00 0.00 O ATOM 0 H GLU A 29 4.128 -0.163 2.544 1.00 0.00 H new ATOM 0 HA GLU A 29 4.454 -1.858 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.270 -0.589 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.922 -1.747 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.261 0.472 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.831 0.902 0.744 1.00 0.00 H new ATOM 476 N ALA A 30 4.941 -3.177 3.299 1.00 0.00 N ATOM 477 CA ALA A 30 5.063 -4.441 4.009 1.00 0.00 C ATOM 478 C ALA A 30 3.852 -5.320 3.711 1.00 0.00 C ATOM 479 O ALA A 30 3.983 -6.518 3.466 1.00 0.00 O ATOM 480 CB ALA A 30 5.199 -4.202 5.505 1.00 0.00 C ATOM 0 H ALA A 30 4.865 -2.357 3.901 1.00 0.00 H new ATOM 0 HA ALA A 30 5.962 -4.954 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.289 -5.159 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.088 -3.601 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.318 -3.675 5.871 1.00 0.00 H new ATOM 486 N LEU A 31 2.674 -4.702 3.706 1.00 0.00 N ATOM 487 CA LEU A 31 1.436 -5.413 3.418 1.00 0.00 C ATOM 488 C LEU A 31 1.453 -6.009 2.007 1.00 0.00 C ATOM 489 O LEU A 31 1.077 -7.164 1.806 1.00 0.00 O ATOM 490 CB LEU A 31 0.226 -4.485 3.563 1.00 0.00 C ATOM 491 CG LEU A 31 -0.027 -3.951 4.973 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.125 -2.901 4.949 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.393 -5.085 5.918 1.00 0.00 C ATOM 0 H LEU A 31 2.553 -3.708 3.899 1.00 0.00 H new ATOM 0 HA LEU A 31 1.354 -6.224 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.357 -3.638 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.663 -5.021 3.231 1.00 0.00 H new ATOM 0 HG LEU A 31 0.890 -3.487 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.295 -2.529 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.825 -2.075 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.044 -3.344 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.569 -4.684 6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.297 -5.579 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.424 -5.806 5.955 1.00 0.00 H new ATOM 505 N ALA A 32 1.895 -5.212 1.035 1.00 0.00 N ATOM 506 CA ALA A 32 1.978 -5.657 -0.357 1.00 0.00 C ATOM 507 C ALA A 32 2.878 -6.888 -0.497 1.00 0.00 C ATOM 508 O ALA A 32 2.499 -7.877 -1.124 1.00 0.00 O ATOM 509 CB ALA A 32 2.488 -4.530 -1.239 1.00 0.00 C ATOM 0 H ALA A 32 2.202 -4.251 1.186 1.00 0.00 H new ATOM 0 HA ALA A 32 0.975 -5.937 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.545 -4.874 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.806 -3.682 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.479 -4.225 -0.903 1.00 0.00 H new ATOM 515 N VAL A 33 4.065 -6.821 0.102 1.00 0.00 N ATOM 516 CA VAL A 33 5.018 -7.934 0.059 1.00 0.00 C ATOM 517 C VAL A 33 4.438 -9.185 0.739 1.00 0.00 C ATOM 518 O VAL A 33 4.639 -10.310 0.278 1.00 0.00 O ATOM 519 CB VAL A 33 6.352 -7.552 0.742 1.00 0.00 C ATOM 520 CG1 VAL A 33 7.323 -8.722 0.740 1.00 0.00 C ATOM 521 CG2 VAL A 33 6.974 -6.344 0.057 1.00 0.00 C ATOM 0 H VAL A 33 4.392 -6.008 0.624 1.00 0.00 H new ATOM 0 HA VAL A 33 5.208 -8.155 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 33 6.137 -7.294 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.252 -8.425 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.883 -9.561 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.531 -9.021 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.912 -6.089 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.167 -6.579 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.290 -5.498 0.119 1.00 0.00 H new ATOM 531 N ARG A 34 3.716 -8.974 1.836 1.00 0.00 N ATOM 532 CA ARG A 34 3.091 -10.072 2.573 1.00 0.00 C ATOM 533 C ARG A 34 1.971 -10.732 1.758 1.00 0.00 C ATOM 534 O ARG A 34 1.851 -11.958 1.734 1.00 0.00 O ATOM 535 CB ARG A 34 2.537 -9.562 3.903 1.00 0.00 C ATOM 536 CG ARG A 34 3.617 -9.201 4.911 1.00 0.00 C ATOM 537 CD ARG A 34 3.047 -8.411 6.080 1.00 0.00 C ATOM 538 NE ARG A 34 1.928 -9.097 6.709 1.00 0.00 N ATOM 539 CZ ARG A 34 2.036 -9.887 7.736 1.00 0.00 C ATOM 540 NH1 ARG A 34 3.184 -10.088 8.305 1.00 0.00 N ATOM 541 NH2 ARG A 34 0.979 -10.469 8.199 1.00 0.00 N ATOM 0 H ARG A 34 3.548 -8.051 2.236 1.00 0.00 H new ATOM 0 HA ARG A 34 3.856 -10.825 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.917 -8.685 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.889 -10.325 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.089 -10.111 5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.394 -8.616 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.830 -8.242 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.721 -7.431 5.731 1.00 0.00 H new ATOM 0 HE ARG A 34 0.998 -8.948 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.019 -9.623 7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.252 -10.711 9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.073 -10.306 7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.051 -11.091 9.004 1.00 0.00 H new ATOM 555 N LEU A 35 1.158 -9.917 1.089 1.00 0.00 N ATOM 556 CA LEU A 35 0.058 -10.434 0.272 1.00 0.00 C ATOM 557 C LEU A 35 0.566 -11.143 -0.992 1.00 0.00 C ATOM 558 O LEU A 35 0.198 -12.287 -1.262 1.00 0.00 O ATOM 559 CB LEU A 35 -0.905 -9.312 -0.116 1.00 0.00 C ATOM 560 CG LEU A 35 -1.700 -8.718 1.040 1.00 0.00 C ATOM 561 CD1 LEU A 35 -2.411 -7.449 0.598 1.00 0.00 C ATOM 562 CD2 LEU A 35 -2.692 -9.742 1.564 1.00 0.00 C ATOM 0 H LEU A 35 1.238 -8.900 1.095 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.472 -11.167 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.336 -8.514 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.604 -9.695 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.015 -8.456 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.974 -7.037 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.676 -6.718 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.094 -7.680 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.257 -9.311 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.377 -10.027 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.155 -10.624 1.913 1.00 0.00 H new ATOM 574 N GLY A 36 1.411 -10.467 -1.763 1.00 0.00 N ATOM 575 CA GLY A 36 1.938 -11.069 -2.981 1.00 0.00 C ATOM 576 C GLY A 36 2.513 -10.055 -3.964 1.00 0.00 C ATOM 577 O GLY A 36 2.289 -8.851 -3.839 1.00 0.00 O ATOM 0 H GLY A 36 1.740 -9.521 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.715 -11.786 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.143 -11.629 -3.473 1.00 0.00 H new ATOM 581 N LYS A 37 3.239 -10.552 -4.964 1.00 0.00 N ATOM 582 CA LYS A 37 3.862 -9.693 -5.979 1.00 0.00 C ATOM 583 C LYS A 37 2.820 -8.880 -6.759 1.00 0.00 C ATOM 584 O LYS A 37 3.057 -7.724 -7.104 1.00 0.00 O ATOM 585 CB LYS A 37 4.699 -10.529 -6.952 1.00 0.00 C ATOM 586 CG LYS A 37 6.072 -10.917 -6.419 1.00 0.00 C ATOM 587 CD LYS A 37 5.971 -11.939 -5.299 1.00 0.00 C ATOM 588 CE LYS A 37 7.341 -12.347 -4.785 1.00 0.00 C ATOM 589 NZ LYS A 37 7.241 -13.129 -3.525 1.00 0.00 N ATOM 0 H LYS A 37 3.413 -11.548 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 37 4.511 -8.993 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.148 -11.436 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.826 -9.969 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.676 -11.324 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.586 -10.027 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.384 -11.524 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.440 -12.821 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.853 -12.940 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.946 -11.457 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.194 -13.391 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.775 -12.553 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.684 -13.991 -3.695 1.00 0.00 H new ATOM 603 N SER A 38 1.665 -9.487 -7.023 1.00 0.00 N ATOM 604 CA SER A 38 0.586 -8.814 -7.758 1.00 0.00 C ATOM 605 C SER A 38 0.113 -7.559 -7.017 1.00 0.00 C ATOM 606 O SER A 38 -0.178 -6.530 -7.631 1.00 0.00 O ATOM 607 CB SER A 38 -0.602 -9.763 -7.962 1.00 0.00 C ATOM 608 OG SER A 38 -1.264 -10.035 -6.734 1.00 0.00 O ATOM 0 H SER A 38 1.448 -10.443 -6.741 1.00 0.00 H new ATOM 0 HA SER A 38 0.984 -8.520 -8.729 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.306 -9.321 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.253 -10.696 -8.404 1.00 0.00 H new ATOM 0 HG SER A 38 -2.017 -10.641 -6.896 1.00 0.00 H new ATOM 614 N TYR A 39 0.060 -7.649 -5.695 1.00 0.00 N ATOM 615 CA TYR A 39 -0.364 -6.535 -4.859 1.00 0.00 C ATOM 616 C TYR A 39 0.703 -5.444 -4.799 1.00 0.00 C ATOM 617 O TYR A 39 0.384 -4.257 -4.736 1.00 0.00 O ATOM 618 CB TYR A 39 -0.707 -7.042 -3.466 1.00 0.00 C ATOM 619 CG TYR A 39 -1.908 -7.954 -3.468 1.00 0.00 C ATOM 620 CD1 TYR A 39 -3.181 -7.442 -3.661 1.00 0.00 C ATOM 621 CD2 TYR A 39 -1.769 -9.324 -3.294 1.00 0.00 C ATOM 622 CE1 TYR A 39 -4.284 -8.268 -3.677 1.00 0.00 C ATOM 623 CE2 TYR A 39 -2.870 -10.159 -3.310 1.00 0.00 C ATOM 624 CZ TYR A 39 -4.124 -9.624 -3.500 1.00 0.00 C ATOM 625 OH TYR A 39 -5.227 -10.447 -3.516 1.00 0.00 O ATOM 0 H TYR A 39 0.308 -8.491 -5.175 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.254 -6.088 -5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.150 -7.575 -3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.899 -6.193 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.311 -6.379 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.785 -9.744 -3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.270 -7.853 -3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.748 -11.223 -3.174 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.945 -11.375 -3.378 1.00 0.00 H new ATOM 635 N ARG A 40 1.974 -5.844 -4.822 1.00 0.00 N ATOM 636 CA ARG A 40 3.068 -4.877 -4.813 1.00 0.00 C ATOM 637 C ARG A 40 2.981 -4.001 -6.065 1.00 0.00 C ATOM 638 O ARG A 40 3.265 -2.806 -6.026 1.00 0.00 O ATOM 639 CB ARG A 40 4.424 -5.587 -4.747 1.00 0.00 C ATOM 640 CG ARG A 40 5.469 -4.831 -3.934 1.00 0.00 C ATOM 641 CD ARG A 40 6.026 -3.643 -4.705 1.00 0.00 C ATOM 642 NE ARG A 40 6.838 -2.763 -3.872 1.00 0.00 N ATOM 643 CZ ARG A 40 7.968 -2.237 -4.255 1.00 0.00 C ATOM 644 NH1 ARG A 40 8.469 -2.520 -5.417 1.00 0.00 N ATOM 645 NH2 ARG A 40 8.596 -1.427 -3.471 1.00 0.00 N ATOM 0 H ARG A 40 2.268 -6.820 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 40 2.978 -4.249 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.285 -6.578 -4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.799 -5.732 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.024 -4.484 -3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.282 -5.506 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.628 -4.006 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.201 -3.073 -5.132 1.00 0.00 H new ATOM 0 HE ARG A 40 6.502 -2.546 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.978 -3.160 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.354 -2.103 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.208 -1.200 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.480 -1.014 -3.767 1.00 0.00 H new ATOM 659 N ILE A 41 2.574 -4.613 -7.175 1.00 0.00 N ATOM 660 CA ILE A 41 2.400 -3.890 -8.434 1.00 0.00 C ATOM 661 C ILE A 41 1.310 -2.820 -8.285 1.00 0.00 C ATOM 662 O ILE A 41 1.484 -1.677 -8.706 1.00 0.00 O ATOM 663 CB ILE A 41 2.026 -4.841 -9.591 1.00 0.00 C ATOM 664 CG1 ILE A 41 3.067 -5.958 -9.734 1.00 0.00 C ATOM 665 CG2 ILE A 41 1.891 -4.068 -10.894 1.00 0.00 C ATOM 666 CD1 ILE A 41 4.488 -5.458 -9.898 1.00 0.00 C ATOM 0 H ILE A 41 2.358 -5.608 -7.229 1.00 0.00 H new ATOM 0 HA ILE A 41 3.353 -3.418 -8.672 1.00 0.00 H new ATOM 0 HB ILE A 41 1.064 -5.299 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.018 -6.601 -8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.808 -6.574 -10.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.627 -4.754 -11.699 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.111 -3.313 -10.790 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.838 -3.581 -11.128 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.164 -6.308 -9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.555 -4.839 -10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.769 -4.867 -9.026 1.00 0.00 H new ATOM 678 N GLN A 42 0.185 -3.200 -7.672 1.00 0.00 N ATOM 679 CA GLN A 42 -0.916 -2.264 -7.429 1.00 0.00 C ATOM 680 C GLN A 42 -0.432 -1.100 -6.563 1.00 0.00 C ATOM 681 O GLN A 42 -0.787 0.060 -6.789 1.00 0.00 O ATOM 682 CB GLN A 42 -2.084 -2.973 -6.742 1.00 0.00 C ATOM 683 CG GLN A 42 -2.950 -3.785 -7.690 1.00 0.00 C ATOM 684 CD GLN A 42 -4.325 -3.178 -7.900 1.00 0.00 C ATOM 685 OE1 GLN A 42 -4.421 -1.865 -7.816 1.00 0.00 O flip ATOM 686 NE2 GLN A 42 -5.296 -3.885 -8.141 1.00 0.00 N flip ATOM 0 H GLN A 42 0.013 -4.147 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.260 -1.878 -8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.692 -3.632 -5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.706 -2.230 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.445 -3.870 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.061 -4.796 -7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.188 -4.898 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.213 -3.461 -8.283 1.00 0.00 H new ATOM 695 N LEU A 43 0.382 -1.426 -5.565 1.00 0.00 N ATOM 696 CA LEU A 43 0.958 -0.419 -4.685 1.00 0.00 C ATOM 697 C LEU A 43 1.860 0.516 -5.493 1.00 0.00 C ATOM 698 O LEU A 43 1.729 1.733 -5.418 1.00 0.00 O ATOM 699 CB LEU A 43 1.761 -1.090 -3.571 1.00 0.00 C ATOM 700 CG LEU A 43 2.355 -0.140 -2.535 1.00 0.00 C ATOM 701 CD1 LEU A 43 1.260 0.454 -1.664 1.00 0.00 C ATOM 702 CD2 LEU A 43 3.381 -0.867 -1.687 1.00 0.00 C ATOM 0 H LEU A 43 0.658 -2.383 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 43 0.154 0.162 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.115 -1.803 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.571 -1.662 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 43 2.853 0.678 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.703 1.129 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.558 1.007 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.732 -0.347 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.798 -0.179 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.903 -1.702 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.180 -1.243 -2.326 1.00 0.00 H new ATOM 714 N ASP A 44 2.768 -0.074 -6.276 1.00 0.00 N ATOM 715 CA ASP A 44 3.680 0.682 -7.137 1.00 0.00 C ATOM 716 C ASP A 44 2.897 1.622 -8.063 1.00 0.00 C ATOM 717 O ASP A 44 3.320 2.749 -8.332 1.00 0.00 O ATOM 718 CB ASP A 44 4.536 -0.276 -7.962 1.00 0.00 C ATOM 719 CG ASP A 44 5.731 0.412 -8.582 1.00 0.00 C ATOM 720 OD1 ASP A 44 5.600 0.964 -9.694 1.00 0.00 O ATOM 721 OD2 ASP A 44 6.813 0.402 -7.964 1.00 0.00 O ATOM 0 H ASP A 44 2.891 -1.085 -6.330 1.00 0.00 H new ATOM 0 HA ASP A 44 4.331 1.286 -6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.879 -1.093 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.926 -0.719 -8.749 1.00 0.00 H new ATOM 726 N GLN A 45 1.759 1.142 -8.559 1.00 0.00 N ATOM 727 CA GLN A 45 0.888 1.944 -9.415 1.00 0.00 C ATOM 728 C GLN A 45 0.484 3.231 -8.685 1.00 0.00 C ATOM 729 O GLN A 45 0.538 4.327 -9.245 1.00 0.00 O ATOM 730 CB GLN A 45 -0.353 1.137 -9.803 1.00 0.00 C ATOM 731 CG GLN A 45 -1.335 1.898 -10.678 1.00 0.00 C ATOM 732 CD GLN A 45 -2.579 1.095 -10.997 1.00 0.00 C ATOM 733 OE1 GLN A 45 -3.001 0.239 -10.223 1.00 0.00 O ATOM 734 NE2 GLN A 45 -3.186 1.372 -12.132 1.00 0.00 N ATOM 0 H GLN A 45 1.417 0.197 -8.382 1.00 0.00 H new ATOM 0 HA GLN A 45 1.426 2.211 -10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.038 0.235 -10.327 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.864 0.816 -8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.623 2.821 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.842 2.181 -11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.808 2.089 -12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.035 0.870 -12.392 1.00 0.00 H new ATOM 743 N ALA A 46 0.097 3.088 -7.419 1.00 0.00 N ATOM 744 CA ALA A 46 -0.279 4.236 -6.598 1.00 0.00 C ATOM 745 C ALA A 46 0.941 5.123 -6.298 1.00 0.00 C ATOM 746 O ALA A 46 0.825 6.346 -6.214 1.00 0.00 O ATOM 747 CB ALA A 46 -0.939 3.774 -5.308 1.00 0.00 C ATOM 0 H ALA A 46 0.036 2.189 -6.940 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.998 4.834 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.213 4.642 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.834 3.198 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.244 3.150 -4.747 1.00 0.00 H new ATOM 753 N LYS A 47 2.111 4.496 -6.128 1.00 0.00 N ATOM 754 CA LYS A 47 3.355 5.233 -5.878 1.00 0.00 C ATOM 755 C LYS A 47 3.655 6.201 -7.028 1.00 0.00 C ATOM 756 O LYS A 47 4.028 7.349 -6.805 1.00 0.00 O ATOM 757 CB LYS A 47 4.538 4.273 -5.715 1.00 0.00 C ATOM 758 CG LYS A 47 4.242 3.054 -4.859 1.00 0.00 C ATOM 759 CD LYS A 47 5.500 2.258 -4.568 1.00 0.00 C ATOM 760 CE LYS A 47 6.479 3.068 -3.744 1.00 0.00 C ATOM 761 NZ LYS A 47 7.732 2.320 -3.475 1.00 0.00 N ATOM 0 H LYS A 47 2.222 3.483 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 47 3.219 5.797 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.859 3.940 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.374 4.817 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.785 3.369 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.518 2.418 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.240 1.344 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.969 1.958 -5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.715 3.994 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.013 3.347 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.521 2.990 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.627 1.770 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.928 1.675 -4.267 1.00 0.00 H new ATOM 775 N GLU A 48 3.481 5.728 -8.260 1.00 0.00 N ATOM 776 CA GLU A 48 3.717 6.554 -9.443 1.00 0.00 C ATOM 777 C GLU A 48 2.646 7.642 -9.540 1.00 0.00 C ATOM 778 O GLU A 48 2.909 8.765 -9.969 1.00 0.00 O ATOM 779 CB GLU A 48 3.706 5.690 -10.708 1.00 0.00 C ATOM 780 CG GLU A 48 4.022 6.459 -11.980 1.00 0.00 C ATOM 781 CD GLU A 48 3.737 5.657 -13.233 1.00 0.00 C ATOM 782 OE1 GLU A 48 2.554 5.553 -13.619 1.00 0.00 O ATOM 783 OE2 GLU A 48 4.692 5.126 -13.836 1.00 0.00 O ATOM 0 H GLU A 48 3.177 4.776 -8.466 1.00 0.00 H new ATOM 0 HA GLU A 48 4.696 7.025 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.431 4.884 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.726 5.225 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.435 7.377 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.072 6.752 -11.972 1.00 0.00 H new ATOM 790 N LYS A 49 1.437 7.287 -9.124 1.00 0.00 N ATOM 791 CA LYS A 49 0.307 8.209 -9.126 1.00 0.00 C ATOM 792 C LYS A 49 0.574 9.422 -8.220 1.00 0.00 C ATOM 793 O LYS A 49 0.291 10.563 -8.586 1.00 0.00 O ATOM 794 CB LYS A 49 -0.952 7.472 -8.659 1.00 0.00 C ATOM 795 CG LYS A 49 -2.147 8.373 -8.399 1.00 0.00 C ATOM 796 CD LYS A 49 -3.184 7.673 -7.536 1.00 0.00 C ATOM 797 CE LYS A 49 -4.456 8.492 -7.416 1.00 0.00 C ATOM 798 NZ LYS A 49 -5.508 7.771 -6.652 1.00 0.00 N ATOM 0 H LYS A 49 1.212 6.355 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 49 0.163 8.577 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.226 6.734 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.720 6.924 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.816 9.287 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.597 8.667 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.417 6.698 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.771 7.494 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.234 9.439 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.830 8.731 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.361 8.363 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.739 6.880 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.161 7.565 -5.693 1.00 0.00 H new ATOM 812 N TRP A 50 1.124 9.163 -7.038 1.00 0.00 N ATOM 813 CA TRP A 50 1.427 10.220 -6.077 1.00 0.00 C ATOM 814 C TRP A 50 2.870 10.729 -6.202 1.00 0.00 C ATOM 815 O TRP A 50 3.308 11.562 -5.408 1.00 0.00 O ATOM 816 CB TRP A 50 1.186 9.704 -4.662 1.00 0.00 C ATOM 817 CG TRP A 50 -0.254 9.456 -4.347 1.00 0.00 C ATOM 818 CD1 TRP A 50 -0.761 8.382 -3.685 1.00 0.00 C ATOM 819 CD2 TRP A 50 -1.373 10.289 -4.679 1.00 0.00 C ATOM 820 NE1 TRP A 50 -2.120 8.499 -3.566 1.00 0.00 N ATOM 821 CE2 TRP A 50 -2.522 9.657 -4.174 1.00 0.00 C ATOM 822 CE3 TRP A 50 -1.515 11.508 -5.350 1.00 0.00 C ATOM 823 CZ2 TRP A 50 -3.795 10.201 -4.317 1.00 0.00 C ATOM 824 CZ3 TRP A 50 -2.780 12.046 -5.492 1.00 0.00 C ATOM 825 CH2 TRP A 50 -3.905 11.393 -4.978 1.00 0.00 C ATOM 0 H TRP A 50 1.370 8.225 -6.721 1.00 0.00 H new ATOM 0 HA TRP A 50 0.767 11.060 -6.293 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.743 8.778 -4.523 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.585 10.426 -3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -0.176 7.556 -3.308 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.734 7.831 -3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.652 12.019 -5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -4.665 9.699 -3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.902 12.987 -6.009 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -4.880 11.839 -5.106 1.00 0.00 H new ATOM 836 N LYS A 51 3.599 10.218 -7.194 1.00 0.00 N ATOM 837 CA LYS A 51 4.994 10.616 -7.446 1.00 0.00 C ATOM 838 C LYS A 51 5.927 10.278 -6.266 1.00 0.00 C ATOM 839 O LYS A 51 6.867 11.019 -5.968 1.00 0.00 O ATOM 840 CB LYS A 51 5.082 12.115 -7.773 1.00 0.00 C ATOM 841 CG LYS A 51 4.548 12.483 -9.152 1.00 0.00 C ATOM 842 CD LYS A 51 3.029 12.566 -9.169 1.00 0.00 C ATOM 843 CE LYS A 51 2.510 12.982 -10.534 1.00 0.00 C ATOM 844 NZ LYS A 51 1.025 12.960 -10.596 1.00 0.00 N ATOM 0 H LYS A 51 3.245 9.518 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 51 5.333 10.039 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.527 12.674 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.123 12.431 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.967 13.441 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.879 11.742 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.608 11.598 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.694 13.281 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.868 13.985 -10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.914 12.314 -11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.721 12.760 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.662 12.220 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.651 13.884 -10.300 1.00 0.00 H new ATOM 858 N VAL A 52 5.680 9.150 -5.611 1.00 0.00 N ATOM 859 CA VAL A 52 6.506 8.715 -4.479 1.00 0.00 C ATOM 860 C VAL A 52 6.882 7.228 -4.596 1.00 0.00 C ATOM 861 O VAL A 52 6.241 6.360 -4.005 1.00 0.00 O ATOM 862 CB VAL A 52 5.809 8.966 -3.120 1.00 0.00 C ATOM 863 CG1 VAL A 52 6.067 10.385 -2.640 1.00 0.00 C ATOM 864 CG2 VAL A 52 4.314 8.699 -3.215 1.00 0.00 C ATOM 0 H VAL A 52 4.915 8.516 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 52 7.415 9.316 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 52 6.231 8.272 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.569 10.542 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.139 10.539 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.678 11.093 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.849 8.883 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.873 9.360 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.147 7.662 -3.506 1.00 0.00 H new ATOM 874 N LYS A 53 7.924 6.946 -5.372 1.00 0.00 N ATOM 875 CA LYS A 53 8.384 5.566 -5.581 1.00 0.00 C ATOM 876 C LYS A 53 9.605 5.227 -4.712 1.00 0.00 C ATOM 877 O LYS A 53 10.691 5.800 -4.957 1.00 0.00 O ATOM 878 CB LYS A 53 8.727 5.349 -7.055 1.00 0.00 C ATOM 879 CG LYS A 53 7.591 5.694 -8.005 1.00 0.00 C ATOM 880 CD LYS A 53 8.063 5.747 -9.452 1.00 0.00 C ATOM 881 CE LYS A 53 8.931 6.969 -9.720 1.00 0.00 C ATOM 882 NZ LYS A 53 10.384 6.671 -9.593 1.00 0.00 N ATOM 883 OXT LYS A 53 9.478 4.377 -3.800 1.00 0.00 O ATOM 0 H LYS A 53 8.469 7.650 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 53 7.571 4.902 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.597 5.954 -7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.009 4.307 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.798 4.953 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.163 6.657 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.627 4.843 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.199 5.763 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.726 7.344 -10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.663 7.762 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.818 7.338 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.510 5.699 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.841 6.767 -10.522 1.00 0.00 H new TER 897 LYS A 53