USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 694 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 22 MET CE :methyl -126:sc= -7! (180deg=-12.6!) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -0.0258 (180deg=-0.253) USER MOD Single : A 26 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.4!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= -0.117 (180deg=-2.38!) USER MOD Single : A 33 GLN :FLIP amide:sc= -2.42 F(o=-4!,f=-2.4) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -3.95 F(o=-6.4!,f=-4) USER MOD Single : A 46 HIS :FLIP no HE2:sc= 0.0337 F(o=-2.2!,f=0.034) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -17.8! C(o=-19!,f=-18!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0.82) USER MOD Single : A 80 ASN : amide:sc= -0.0322 K(o=-0.032,f=-0.72) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -2.26! USER MOD Single : A 93 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0387) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 2.469 18.571 0.126 1.00 0.00 N ATOM 2 CA GLY A 17 1.222 17.829 0.463 1.00 0.00 C ATOM 3 C GLY A 17 1.574 16.398 0.874 1.00 0.00 C ATOM 4 O GLY A 17 2.674 15.934 0.653 1.00 0.00 O ATOM 0 HA2 GLY A 17 0.695 18.332 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.550 17.817 -0.395 1.00 0.00 H new ATOM 10 N GLU A 18 0.649 15.695 1.470 1.00 0.00 N ATOM 11 CA GLU A 18 0.937 14.293 1.891 1.00 0.00 C ATOM 12 C GLU A 18 0.747 13.337 0.719 1.00 0.00 C ATOM 13 O GLU A 18 -0.257 13.358 0.036 1.00 0.00 O ATOM 14 CB GLU A 18 -0.068 13.982 2.998 1.00 0.00 C ATOM 15 CG GLU A 18 0.181 14.903 4.194 1.00 0.00 C ATOM 16 CD GLU A 18 -1.145 15.521 4.645 1.00 0.00 C ATOM 17 OE1 GLU A 18 -1.600 16.442 3.988 1.00 0.00 O ATOM 18 OE2 GLU A 18 -1.683 15.061 5.639 1.00 0.00 O ATOM 0 H GLU A 18 -0.291 16.029 1.683 1.00 0.00 H new ATOM 0 HA GLU A 18 1.965 14.178 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.084 14.117 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.024 12.940 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.630 14.341 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.887 15.688 3.922 1.00 0.00 H new ATOM 25 N GLU A 19 1.715 12.503 0.480 1.00 0.00 N ATOM 26 CA GLU A 19 1.614 11.544 -0.651 1.00 0.00 C ATOM 27 C GLU A 19 0.339 10.696 -0.546 1.00 0.00 C ATOM 28 O GLU A 19 -0.318 10.434 -1.535 1.00 0.00 O ATOM 29 CB GLU A 19 2.876 10.675 -0.566 1.00 0.00 C ATOM 30 CG GLU A 19 3.208 10.341 0.891 1.00 0.00 C ATOM 31 CD GLU A 19 4.394 11.193 1.353 1.00 0.00 C ATOM 32 OE1 GLU A 19 5.191 11.570 0.510 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.484 11.452 2.541 1.00 0.00 O ATOM 0 H GLU A 19 2.577 12.443 1.022 1.00 0.00 H new ATOM 0 HA GLU A 19 1.549 12.057 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.728 9.754 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.715 11.198 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.342 10.530 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.448 9.282 0.987 1.00 0.00 H new ATOM 40 N PHE A 20 -0.021 10.257 0.631 1.00 0.00 N ATOM 41 CA PHE A 20 -1.253 9.426 0.762 1.00 0.00 C ATOM 42 C PHE A 20 -2.197 10.019 1.818 1.00 0.00 C ATOM 43 O PHE A 20 -1.774 10.707 2.724 1.00 0.00 O ATOM 44 CB PHE A 20 -0.722 8.054 1.169 1.00 0.00 C ATOM 45 CG PHE A 20 0.283 7.616 0.127 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.156 6.986 -1.044 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.653 7.858 0.318 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.768 6.600 -2.021 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.575 7.469 -0.660 1.00 0.00 C ATOM 50 CZ PHE A 20 2.134 6.840 -1.829 1.00 0.00 C ATOM 0 H PHE A 20 0.480 10.436 1.501 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.843 9.379 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.255 8.102 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.538 7.334 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.209 6.798 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.995 8.344 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.427 6.116 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.629 7.655 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.847 6.540 -2.583 1.00 0.00 H new ATOM 60 N ARG A 21 -3.481 9.782 1.692 1.00 0.00 N ATOM 61 CA ARG A 21 -4.451 10.359 2.675 1.00 0.00 C ATOM 62 C ARG A 21 -4.381 9.635 4.021 1.00 0.00 C ATOM 63 O ARG A 21 -4.308 10.253 5.066 1.00 0.00 O ATOM 64 CB ARG A 21 -5.834 10.152 2.059 1.00 0.00 C ATOM 65 CG ARG A 21 -6.004 11.081 0.862 1.00 0.00 C ATOM 66 CD ARG A 21 -5.534 10.356 -0.393 1.00 0.00 C ATOM 67 NE ARG A 21 -6.463 10.808 -1.466 1.00 0.00 N ATOM 68 CZ ARG A 21 -5.998 11.421 -2.520 1.00 0.00 C ATOM 69 NH1 ARG A 21 -5.818 12.714 -2.496 1.00 0.00 N ATOM 70 NH2 ARG A 21 -5.715 10.742 -3.598 1.00 0.00 N ATOM 0 H ARG A 21 -3.898 9.216 0.953 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.228 11.409 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.953 9.114 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.607 10.352 2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.048 11.376 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.428 11.994 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.501 10.609 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.576 9.274 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.465 10.638 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.041 13.244 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.455 13.194 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.857 9.732 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.352 11.221 -4.422 1.00 0.00 H new ATOM 84 N MET A 22 -4.425 8.334 4.008 1.00 0.00 N ATOM 85 CA MET A 22 -4.390 7.576 5.290 1.00 0.00 C ATOM 86 C MET A 22 -2.963 7.493 5.830 1.00 0.00 C ATOM 87 O MET A 22 -2.015 7.879 5.174 1.00 0.00 O ATOM 88 CB MET A 22 -4.912 6.185 4.937 1.00 0.00 C ATOM 89 CG MET A 22 -6.353 6.301 4.438 1.00 0.00 C ATOM 90 SD MET A 22 -7.043 4.647 4.197 1.00 0.00 S ATOM 91 CE MET A 22 -7.083 4.682 2.389 1.00 0.00 C ATOM 0 H MET A 22 -4.484 7.761 3.166 1.00 0.00 H new ATOM 0 HA MET A 22 -4.987 8.055 6.066 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.284 5.732 4.170 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.868 5.534 5.810 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.955 6.856 5.158 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.381 6.858 3.502 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.090 4.448 2.043 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.800 5.674 2.038 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.383 3.945 1.995 1.00 0.00 H new ATOM 101 N GLU A 23 -2.806 7.003 7.029 1.00 0.00 N ATOM 102 CA GLU A 23 -1.443 6.905 7.618 1.00 0.00 C ATOM 103 C GLU A 23 -0.823 5.540 7.316 1.00 0.00 C ATOM 104 O GLU A 23 0.344 5.321 7.552 1.00 0.00 O ATOM 105 CB GLU A 23 -1.644 7.091 9.119 1.00 0.00 C ATOM 106 CG GLU A 23 -0.366 6.687 9.859 1.00 0.00 C ATOM 107 CD GLU A 23 -0.082 7.698 10.971 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.899 8.582 11.164 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.949 7.570 11.611 1.00 0.00 O ATOM 0 H GLU A 23 -3.563 6.667 7.625 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.764 7.651 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.891 8.130 9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.483 6.485 9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.477 5.688 10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.473 6.649 9.164 1.00 0.00 H new ATOM 116 N LYS A 24 -1.583 4.621 6.781 1.00 0.00 N ATOM 117 CA LYS A 24 -0.993 3.292 6.456 1.00 0.00 C ATOM 118 C LYS A 24 -0.165 3.425 5.175 1.00 0.00 C ATOM 119 O LYS A 24 0.980 3.012 5.116 1.00 0.00 O ATOM 120 CB LYS A 24 -2.181 2.338 6.268 1.00 0.00 C ATOM 121 CG LYS A 24 -2.923 2.665 4.973 1.00 0.00 C ATOM 122 CD LYS A 24 -4.184 1.803 4.878 1.00 0.00 C ATOM 123 CE LYS A 24 -5.275 2.390 5.778 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.412 1.422 6.903 1.00 0.00 N ATOM 0 H LYS A 24 -2.572 4.731 6.558 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.331 2.916 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.828 1.307 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.861 2.421 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.189 3.722 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.277 2.480 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.532 1.762 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.961 0.780 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.997 3.379 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.215 2.501 5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.757 1.919 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.088 0.677 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.487 0.994 7.107 1.00 0.00 H new ATOM 138 N LEU A 25 -0.713 4.042 4.159 1.00 0.00 N ATOM 139 CA LEU A 25 0.069 4.234 2.909 1.00 0.00 C ATOM 140 C LEU A 25 1.171 5.247 3.182 1.00 0.00 C ATOM 141 O LEU A 25 2.289 5.092 2.758 1.00 0.00 O ATOM 142 CB LEU A 25 -0.913 4.794 1.882 1.00 0.00 C ATOM 143 CG LEU A 25 -2.141 3.885 1.756 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.846 4.191 0.438 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.729 2.408 1.760 1.00 0.00 C ATOM 0 H LEU A 25 -1.661 4.417 4.144 1.00 0.00 H new ATOM 0 HA LEU A 25 0.524 3.310 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.225 5.796 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.421 4.886 0.914 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.802 4.070 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.722 3.550 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.157 5.236 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.163 4.006 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.617 1.782 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.062 2.214 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.215 2.176 2.693 1.00 0.00 H new ATOM 157 N ASN A 26 0.855 6.279 3.906 1.00 0.00 N ATOM 158 CA ASN A 26 1.885 7.301 4.234 1.00 0.00 C ATOM 159 C ASN A 26 3.059 6.626 4.942 1.00 0.00 C ATOM 160 O ASN A 26 4.199 6.780 4.563 1.00 0.00 O ATOM 161 CB ASN A 26 1.188 8.273 5.185 1.00 0.00 C ATOM 162 CG ASN A 26 0.778 9.539 4.434 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.413 9.924 3.471 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.266 10.206 4.839 1.00 0.00 N ATOM 0 H ASN A 26 -0.074 6.461 4.286 1.00 0.00 H new ATOM 0 HA ASN A 26 2.274 7.805 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.309 7.799 5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.854 8.529 6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.552 11.053 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.797 9.881 5.647 1.00 0.00 H new ATOM 171 N GLN A 27 2.775 5.874 5.973 1.00 0.00 N ATOM 172 CA GLN A 27 3.856 5.177 6.727 1.00 0.00 C ATOM 173 C GLN A 27 4.601 4.198 5.819 1.00 0.00 C ATOM 174 O GLN A 27 5.793 4.018 5.940 1.00 0.00 O ATOM 175 CB GLN A 27 3.135 4.417 7.840 1.00 0.00 C ATOM 176 CG GLN A 27 3.153 5.245 9.126 1.00 0.00 C ATOM 177 CD GLN A 27 3.620 4.365 10.288 1.00 0.00 C ATOM 178 OE1 GLN A 27 4.804 4.191 10.493 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.732 3.798 11.058 1.00 0.00 N ATOM 0 H GLN A 27 1.832 5.712 6.327 1.00 0.00 H new ATOM 0 HA GLN A 27 4.597 5.876 7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.107 4.209 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.619 3.455 8.009 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.819 6.100 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.158 5.641 9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.738 3.945 10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.032 3.207 11.834 1.00 0.00 H new ATOM 188 N LEU A 28 3.911 3.556 4.918 1.00 0.00 N ATOM 189 CA LEU A 28 4.598 2.586 4.017 1.00 0.00 C ATOM 190 C LEU A 28 5.575 3.315 3.094 1.00 0.00 C ATOM 191 O LEU A 28 6.725 2.950 2.968 1.00 0.00 O ATOM 192 CB LEU A 28 3.473 1.939 3.202 1.00 0.00 C ATOM 193 CG LEU A 28 3.470 0.429 3.432 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.373 0.061 4.434 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.201 -0.277 2.102 1.00 0.00 C ATOM 0 H LEU A 28 2.908 3.659 4.766 1.00 0.00 H new ATOM 0 HA LEU A 28 5.179 1.849 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.511 2.362 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.609 2.154 2.142 1.00 0.00 H new ATOM 0 HG LEU A 28 4.436 0.118 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.374 -1.017 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.559 0.570 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.404 0.368 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.197 -1.356 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.233 0.037 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.981 -0.016 1.387 1.00 0.00 H new ATOM 207 N TRP A 29 5.114 4.342 2.453 1.00 0.00 N ATOM 208 CA TRP A 29 5.979 5.123 1.532 1.00 0.00 C ATOM 209 C TRP A 29 7.167 5.713 2.298 1.00 0.00 C ATOM 210 O TRP A 29 8.323 5.463 1.985 1.00 0.00 O ATOM 211 CB TRP A 29 5.039 6.220 1.041 1.00 0.00 C ATOM 212 CG TRP A 29 5.795 7.248 0.285 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.785 8.562 0.571 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.647 7.080 -0.879 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.584 9.223 -0.343 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.139 8.349 -1.260 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.036 5.959 -1.632 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.990 8.501 -2.354 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.891 6.107 -2.733 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.366 7.375 -3.094 1.00 0.00 C ATOM 0 H TRP A 29 4.155 4.682 2.528 1.00 0.00 H new ATOM 0 HA TRP A 29 6.409 4.535 0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.266 5.788 0.406 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.534 6.682 1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.242 9.025 1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.744 10.230 -0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.674 4.978 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.356 9.480 -2.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.185 5.240 -3.306 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.023 7.483 -3.944 1.00 0.00 H new ATOM 231 N GLU A 30 6.894 6.495 3.304 1.00 0.00 N ATOM 232 CA GLU A 30 7.992 7.097 4.092 1.00 0.00 C ATOM 233 C GLU A 30 8.953 6.008 4.565 1.00 0.00 C ATOM 234 O GLU A 30 10.156 6.170 4.510 1.00 0.00 O ATOM 235 CB GLU A 30 7.307 7.776 5.274 1.00 0.00 C ATOM 236 CG GLU A 30 6.342 6.803 5.952 1.00 0.00 C ATOM 237 CD GLU A 30 6.972 6.276 7.242 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.951 6.858 7.680 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.462 5.301 7.771 1.00 0.00 O ATOM 0 H GLU A 30 5.953 6.741 3.612 1.00 0.00 H new ATOM 0 HA GLU A 30 8.583 7.806 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.054 8.117 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.766 8.659 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.399 7.304 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.113 5.975 5.282 1.00 0.00 H new ATOM 246 N LYS A 31 8.448 4.886 5.013 1.00 0.00 N ATOM 247 CA LYS A 31 9.376 3.814 5.454 1.00 0.00 C ATOM 248 C LYS A 31 10.259 3.429 4.275 1.00 0.00 C ATOM 249 O LYS A 31 11.456 3.288 4.403 1.00 0.00 O ATOM 250 CB LYS A 31 8.506 2.638 5.888 1.00 0.00 C ATOM 251 CG LYS A 31 9.255 1.849 6.958 1.00 0.00 C ATOM 252 CD LYS A 31 8.337 0.789 7.558 1.00 0.00 C ATOM 253 CE LYS A 31 8.959 -0.586 7.332 1.00 0.00 C ATOM 254 NZ LYS A 31 10.234 -0.557 8.101 1.00 0.00 N ATOM 0 H LYS A 31 7.453 4.673 5.090 1.00 0.00 H new ATOM 0 HA LYS A 31 10.019 4.129 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.553 2.996 6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.281 1.999 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.136 1.376 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.607 2.522 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.198 0.970 8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.351 0.838 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.302 -1.381 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.140 -0.769 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.402 -1.490 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.020 -0.323 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.171 0.162 8.850 1.00 0.00 H new ATOM 268 N ALA A 32 9.674 3.286 3.116 1.00 0.00 N ATOM 269 CA ALA A 32 10.484 2.946 1.923 1.00 0.00 C ATOM 270 C ALA A 32 11.652 3.919 1.844 1.00 0.00 C ATOM 271 O ALA A 32 12.799 3.530 1.750 1.00 0.00 O ATOM 272 CB ALA A 32 9.550 3.134 0.727 1.00 0.00 C ATOM 0 H ALA A 32 8.673 3.391 2.949 1.00 0.00 H new ATOM 0 HA ALA A 32 10.883 1.932 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.085 2.899 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.692 2.470 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.206 4.168 0.693 1.00 0.00 H new ATOM 278 N GLN A 33 11.366 5.193 1.907 1.00 0.00 N ATOM 279 CA GLN A 33 12.467 6.194 1.863 1.00 0.00 C ATOM 280 C GLN A 33 13.455 5.893 2.991 1.00 0.00 C ATOM 281 O GLN A 33 14.647 6.079 2.860 1.00 0.00 O ATOM 282 CB GLN A 33 11.788 7.545 2.085 1.00 0.00 C ATOM 283 CG GLN A 33 10.814 7.812 0.936 1.00 0.00 C ATOM 284 CD GLN A 33 9.940 9.018 1.273 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.646 8.924 1.138 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 10.437 10.056 1.660 1.00 0.00 N flip ATOM 0 H GLN A 33 10.425 5.579 1.986 1.00 0.00 H new ATOM 0 HA GLN A 33 13.021 6.179 0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.256 7.546 3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.535 8.337 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.366 7.997 0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.190 6.935 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.449 10.129 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.843 10.855 1.880 1.00 0.00 H new ATOM 295 N ARG A 34 12.953 5.416 4.099 1.00 0.00 N ATOM 296 CA ARG A 34 13.841 5.078 5.249 1.00 0.00 C ATOM 297 C ARG A 34 14.782 3.931 4.869 1.00 0.00 C ATOM 298 O ARG A 34 15.931 3.906 5.262 1.00 0.00 O ATOM 299 CB ARG A 34 12.889 4.645 6.365 1.00 0.00 C ATOM 300 CG ARG A 34 13.556 4.873 7.722 1.00 0.00 C ATOM 301 CD ARG A 34 14.037 3.534 8.282 1.00 0.00 C ATOM 302 NE ARG A 34 15.493 3.721 8.525 1.00 0.00 N ATOM 303 CZ ARG A 34 15.941 3.835 9.745 1.00 0.00 C ATOM 304 NH1 ARG A 34 15.396 4.695 10.561 1.00 0.00 N ATOM 305 NH2 ARG A 34 16.932 3.089 10.148 1.00 0.00 N ATOM 0 H ARG A 34 11.960 5.245 4.257 1.00 0.00 H new ATOM 0 HA ARG A 34 14.469 5.916 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.960 5.212 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.629 3.593 6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.397 5.559 7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.852 5.337 8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.512 3.280 9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.855 2.723 7.577 1.00 0.00 H new ATOM 0 HE ARG A 34 16.141 3.760 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.621 5.277 10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.745 4.785 11.515 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.357 2.417 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.282 3.178 11.102 1.00 0.00 H new ATOM 319 N LEU A 35 14.308 2.986 4.099 1.00 0.00 N ATOM 320 CA LEU A 35 15.182 1.850 3.685 1.00 0.00 C ATOM 321 C LEU A 35 16.221 2.340 2.672 1.00 0.00 C ATOM 322 O LEU A 35 17.091 1.602 2.254 1.00 0.00 O ATOM 323 CB LEU A 35 14.239 0.836 3.038 1.00 0.00 C ATOM 324 CG LEU A 35 13.541 0.020 4.126 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.060 0.400 4.176 1.00 0.00 C ATOM 326 CD2 LEU A 35 13.677 -1.470 3.806 1.00 0.00 C ATOM 0 H LEU A 35 13.354 2.952 3.740 1.00 0.00 H new ATOM 0 HA LEU A 35 15.727 1.416 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.500 1.351 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.798 0.175 2.376 1.00 0.00 H new ATOM 0 HG LEU A 35 14.001 0.228 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.561 -0.181 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.964 1.462 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.598 0.190 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.180 -2.055 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.215 -1.679 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.733 -1.739 3.769 1.00 0.00 H new ATOM 338 N HIS A 36 16.123 3.582 2.281 1.00 0.00 N ATOM 339 CA HIS A 36 17.084 4.169 1.300 1.00 0.00 C ATOM 340 C HIS A 36 16.839 3.627 -0.111 1.00 0.00 C ATOM 341 O HIS A 36 17.730 3.616 -0.936 1.00 0.00 O ATOM 342 CB HIS A 36 18.486 3.783 1.785 1.00 0.00 C ATOM 343 CG HIS A 36 18.625 4.095 3.253 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.278 3.391 4.380 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 19.205 5.270 3.705 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.635 4.115 5.513 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 19.189 5.239 5.050 1.00 0.00 N flip ATOM 0 H HIS A 36 15.403 4.228 2.606 1.00 0.00 H new ATOM 0 HA HIS A 36 16.964 5.251 1.244 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.661 2.721 1.612 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.240 4.327 1.216 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.598 6.066 3.090 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.494 3.830 6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.555 5.983 5.644 1.00 0.00 H new ATOM 355 N LEU A 37 15.641 3.199 -0.416 1.00 0.00 N ATOM 356 CA LEU A 37 15.387 2.694 -1.794 1.00 0.00 C ATOM 357 C LEU A 37 15.856 3.747 -2.801 1.00 0.00 C ATOM 358 O LEU A 37 15.874 4.922 -2.498 1.00 0.00 O ATOM 359 CB LEU A 37 13.868 2.533 -1.912 1.00 0.00 C ATOM 360 CG LEU A 37 13.351 1.437 -0.977 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.828 1.377 -1.091 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.925 0.081 -1.384 1.00 0.00 C ATOM 0 H LEU A 37 14.842 3.178 0.218 1.00 0.00 H new ATOM 0 HA LEU A 37 15.910 1.757 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.380 3.478 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.605 2.290 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 37 13.655 1.663 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.444 0.600 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.404 2.339 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.549 1.149 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.549 -0.690 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.623 -0.150 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.013 0.114 -1.326 1.00 0.00 H new ATOM 374 N PRO A 38 16.190 3.301 -3.976 1.00 0.00 N ATOM 375 CA PRO A 38 16.618 4.236 -5.036 1.00 0.00 C ATOM 376 C PRO A 38 15.395 5.015 -5.521 1.00 0.00 C ATOM 377 O PRO A 38 14.291 4.754 -5.084 1.00 0.00 O ATOM 378 CB PRO A 38 17.169 3.319 -6.126 1.00 0.00 C ATOM 379 CG PRO A 38 16.492 2.005 -5.901 1.00 0.00 C ATOM 380 CD PRO A 38 16.199 1.910 -4.425 1.00 0.00 C ATOM 0 HA PRO A 38 17.358 4.971 -4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.951 3.711 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.252 3.223 -6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.572 1.940 -6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.130 1.182 -6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.241 1.424 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.959 1.327 -3.904 1.00 0.00 H new ATOM 388 N PRO A 39 15.616 5.945 -6.403 1.00 0.00 N ATOM 389 CA PRO A 39 14.492 6.755 -6.927 1.00 0.00 C ATOM 390 C PRO A 39 13.577 5.890 -7.797 1.00 0.00 C ATOM 391 O PRO A 39 12.384 6.111 -7.871 1.00 0.00 O ATOM 392 CB PRO A 39 15.185 7.843 -7.740 1.00 0.00 C ATOM 393 CG PRO A 39 16.509 7.258 -8.114 1.00 0.00 C ATOM 394 CD PRO A 39 16.901 6.330 -6.995 1.00 0.00 C ATOM 0 HA PRO A 39 13.851 7.170 -6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.605 8.105 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.307 8.756 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.441 6.719 -9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.255 8.041 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.448 5.463 -7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.545 6.826 -6.269 1.00 0.00 H new ATOM 402 N VAL A 40 14.121 4.895 -8.444 1.00 0.00 N ATOM 403 CA VAL A 40 13.271 4.011 -9.291 1.00 0.00 C ATOM 404 C VAL A 40 12.355 3.176 -8.402 1.00 0.00 C ATOM 405 O VAL A 40 11.196 2.986 -8.691 1.00 0.00 O ATOM 406 CB VAL A 40 14.246 3.105 -10.037 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.829 2.074 -9.070 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.496 2.387 -11.161 1.00 0.00 C ATOM 0 H VAL A 40 15.113 4.657 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 40 12.641 4.578 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 40 15.057 3.701 -10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.525 1.427 -9.604 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.355 2.587 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.023 1.472 -8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.185 1.737 -11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.690 1.789 -10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.079 3.123 -11.848 1.00 0.00 H new ATOM 418 N ARG A 41 12.876 2.674 -7.321 1.00 0.00 N ATOM 419 CA ARG A 41 12.054 1.851 -6.402 1.00 0.00 C ATOM 420 C ARG A 41 11.054 2.738 -5.666 1.00 0.00 C ATOM 421 O ARG A 41 9.953 2.330 -5.363 1.00 0.00 O ATOM 422 CB ARG A 41 13.067 1.267 -5.430 1.00 0.00 C ATOM 423 CG ARG A 41 13.344 -0.188 -5.789 1.00 0.00 C ATOM 424 CD ARG A 41 13.282 -1.031 -4.525 1.00 0.00 C ATOM 425 NE ARG A 41 14.633 -0.920 -3.912 1.00 0.00 N ATOM 426 CZ ARG A 41 15.449 -1.938 -3.930 1.00 0.00 C ATOM 427 NH1 ARG A 41 15.308 -2.900 -3.061 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.407 -1.994 -4.815 1.00 0.00 N ATOM 0 H ARG A 41 13.846 2.801 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 41 11.476 1.082 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.992 1.843 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.688 1.334 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.612 -0.543 -6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.325 -0.280 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.511 -0.666 -3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.039 -2.068 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 41 14.923 -0.045 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.561 -2.856 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.945 -3.696 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.519 -1.241 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.044 -2.791 -4.827 1.00 0.00 H new ATOM 442 N LEU A 42 11.429 3.952 -5.382 1.00 0.00 N ATOM 443 CA LEU A 42 10.491 4.864 -4.678 1.00 0.00 C ATOM 444 C LEU A 42 9.457 5.377 -5.678 1.00 0.00 C ATOM 445 O LEU A 42 8.354 5.735 -5.323 1.00 0.00 O ATOM 446 CB LEU A 42 11.356 6.008 -4.157 1.00 0.00 C ATOM 447 CG LEU A 42 12.328 5.480 -3.102 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.509 6.446 -2.988 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.610 5.386 -1.751 1.00 0.00 C ATOM 0 H LEU A 42 12.341 4.350 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 42 9.953 4.377 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.909 6.463 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.726 6.787 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 42 12.687 4.492 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.209 6.078 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.014 6.518 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.146 7.431 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.301 5.010 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.256 6.374 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.761 4.707 -1.836 1.00 0.00 H new ATOM 461 N ALA A 43 9.806 5.398 -6.936 1.00 0.00 N ATOM 462 CA ALA A 43 8.836 5.866 -7.966 1.00 0.00 C ATOM 463 C ALA A 43 7.810 4.759 -8.225 1.00 0.00 C ATOM 464 O ALA A 43 6.614 4.970 -8.141 1.00 0.00 O ATOM 465 CB ALA A 43 9.673 6.132 -9.215 1.00 0.00 C ATOM 0 H ALA A 43 10.718 5.112 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 43 8.289 6.758 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.025 6.481 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.422 6.893 -8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.170 5.212 -9.523 1.00 0.00 H new ATOM 471 N GLU A 44 8.273 3.572 -8.511 1.00 0.00 N ATOM 472 CA GLU A 44 7.335 2.443 -8.746 1.00 0.00 C ATOM 473 C GLU A 44 6.559 2.184 -7.459 1.00 0.00 C ATOM 474 O GLU A 44 5.371 1.933 -7.472 1.00 0.00 O ATOM 475 CB GLU A 44 8.225 1.248 -9.090 1.00 0.00 C ATOM 476 CG GLU A 44 8.982 1.535 -10.388 1.00 0.00 C ATOM 477 CD GLU A 44 9.374 0.214 -11.053 1.00 0.00 C ATOM 478 OE1 GLU A 44 10.245 -0.457 -10.526 1.00 0.00 O ATOM 479 OE2 GLU A 44 8.797 -0.104 -12.081 1.00 0.00 O ATOM 0 H GLU A 44 9.262 3.338 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 44 6.615 2.639 -9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.929 1.060 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.619 0.349 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.359 2.123 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.873 2.127 -10.179 1.00 0.00 H new ATOM 486 N LEU A 45 7.229 2.272 -6.343 1.00 0.00 N ATOM 487 CA LEU A 45 6.540 2.060 -5.045 1.00 0.00 C ATOM 488 C LEU A 45 5.448 3.112 -4.895 1.00 0.00 C ATOM 489 O LEU A 45 4.329 2.807 -4.560 1.00 0.00 O ATOM 490 CB LEU A 45 7.622 2.250 -3.977 1.00 0.00 C ATOM 491 CG LEU A 45 6.974 2.597 -2.630 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.208 1.382 -2.095 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.064 2.988 -1.632 1.00 0.00 C ATOM 0 H LEU A 45 8.225 2.482 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 45 6.075 1.078 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.214 1.340 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.305 3.045 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 45 6.282 3.428 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.750 1.633 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.432 1.099 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.897 0.548 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.608 3.235 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.754 2.154 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.609 3.854 -2.009 1.00 0.00 H new ATOM 505 N HIS A 46 5.770 4.352 -5.146 1.00 0.00 N ATOM 506 CA HIS A 46 4.744 5.422 -5.021 1.00 0.00 C ATOM 507 C HIS A 46 3.567 5.112 -5.941 1.00 0.00 C ATOM 508 O HIS A 46 2.428 5.341 -5.599 1.00 0.00 O ATOM 509 CB HIS A 46 5.439 6.710 -5.454 1.00 0.00 C ATOM 510 CG HIS A 46 4.686 7.883 -4.891 1.00 0.00 C ATOM 511 ND1 HIS A 46 4.850 8.607 -3.737 1.00 0.00 N flip ATOM 512 CD2 HIS A 46 3.589 8.437 -5.532 1.00 0.00 C flip ATOM 513 CE1 HIS A 46 3.873 9.594 -3.659 1.00 0.00 C flip ATOM 514 NE2 HIS A 46 3.139 9.447 -4.766 1.00 0.00 N flip ATOM 0 H HIS A 46 6.697 4.668 -5.431 1.00 0.00 H new ATOM 0 HA HIS A 46 4.354 5.504 -4.007 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.470 6.719 -5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.474 6.772 -6.542 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.578 8.446 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.171 8.116 -6.475 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.737 10.322 -2.873 1.00 0.00 H new ATOM 522 N ALA A 47 3.833 4.584 -7.104 1.00 0.00 N ATOM 523 CA ALA A 47 2.717 4.249 -8.033 1.00 0.00 C ATOM 524 C ALA A 47 1.851 3.148 -7.413 1.00 0.00 C ATOM 525 O ALA A 47 0.636 3.182 -7.477 1.00 0.00 O ATOM 526 CB ALA A 47 3.397 3.748 -9.309 1.00 0.00 C ATOM 0 H ALA A 47 4.769 4.371 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 47 2.066 5.100 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.638 3.480 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.034 4.534 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.003 2.872 -9.078 1.00 0.00 H new ATOM 532 N ASP A 48 2.472 2.173 -6.804 1.00 0.00 N ATOM 533 CA ASP A 48 1.696 1.067 -6.172 1.00 0.00 C ATOM 534 C ASP A 48 0.958 1.577 -4.930 1.00 0.00 C ATOM 535 O ASP A 48 -0.098 1.087 -4.584 1.00 0.00 O ATOM 536 CB ASP A 48 2.740 0.019 -5.786 1.00 0.00 C ATOM 537 CG ASP A 48 3.167 -0.757 -7.032 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.228 -0.152 -8.091 1.00 0.00 O ATOM 539 OD2 ASP A 48 3.428 -1.943 -6.909 1.00 0.00 O ATOM 0 H ASP A 48 3.485 2.095 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 48 0.940 0.659 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.605 0.502 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.328 -0.664 -5.043 1.00 0.00 H new ATOM 544 N LEU A 49 1.494 2.566 -4.263 1.00 0.00 N ATOM 545 CA LEU A 49 0.811 3.107 -3.062 1.00 0.00 C ATOM 546 C LEU A 49 -0.332 3.995 -3.504 1.00 0.00 C ATOM 547 O LEU A 49 -1.339 4.098 -2.844 1.00 0.00 O ATOM 548 CB LEU A 49 1.864 3.934 -2.338 1.00 0.00 C ATOM 549 CG LEU A 49 2.984 3.021 -1.864 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.026 3.858 -1.128 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.407 1.965 -0.923 1.00 0.00 C ATOM 0 H LEU A 49 2.376 3.019 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 49 0.405 2.324 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.261 4.700 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.416 4.450 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 49 3.451 2.526 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.834 3.213 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.428 4.614 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.561 4.346 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.206 1.308 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.947 2.455 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.656 1.378 -1.452 1.00 0.00 H new ATOM 563 N LYS A 50 -0.185 4.628 -4.630 1.00 0.00 N ATOM 564 CA LYS A 50 -1.273 5.499 -5.126 1.00 0.00 C ATOM 565 C LYS A 50 -2.426 4.612 -5.569 1.00 0.00 C ATOM 566 O LYS A 50 -3.564 4.846 -5.231 1.00 0.00 O ATOM 567 CB LYS A 50 -0.688 6.258 -6.314 1.00 0.00 C ATOM 568 CG LYS A 50 0.221 7.384 -5.814 1.00 0.00 C ATOM 569 CD LYS A 50 -0.526 8.239 -4.784 1.00 0.00 C ATOM 570 CE LYS A 50 -1.927 8.573 -5.306 1.00 0.00 C ATOM 571 NZ LYS A 50 -2.131 10.014 -4.979 1.00 0.00 N ATOM 0 H LYS A 50 0.641 4.578 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.644 6.193 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.122 5.577 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.491 6.671 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.122 6.964 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.540 8.004 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.599 7.704 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.028 9.157 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.000 8.398 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.684 7.950 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.071 10.315 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.064 10.149 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.401 10.584 -5.452 1.00 0.00 H new ATOM 585 N ILE A 51 -2.135 3.572 -6.300 1.00 0.00 N ATOM 586 CA ILE A 51 -3.219 2.653 -6.728 1.00 0.00 C ATOM 587 C ILE A 51 -3.854 2.038 -5.483 1.00 0.00 C ATOM 588 O ILE A 51 -5.061 1.989 -5.341 1.00 0.00 O ATOM 589 CB ILE A 51 -2.527 1.580 -7.563 1.00 0.00 C ATOM 590 CG1 ILE A 51 -2.009 2.201 -8.862 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.525 0.468 -7.888 1.00 0.00 C ATOM 592 CD1 ILE A 51 -3.109 3.052 -9.498 1.00 0.00 C ATOM 0 H ILE A 51 -1.198 3.322 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.004 3.151 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.690 1.164 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.132 2.815 -8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.697 1.417 -9.552 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.033 -0.300 -8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.893 0.027 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.362 0.883 -8.450 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.738 3.494 -10.423 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.974 2.425 -9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.400 3.845 -8.809 1.00 0.00 H new ATOM 604 N GLN A 52 -3.039 1.587 -4.565 1.00 0.00 N ATOM 605 CA GLN A 52 -3.579 0.994 -3.314 1.00 0.00 C ATOM 606 C GLN A 52 -4.330 2.064 -2.530 1.00 0.00 C ATOM 607 O GLN A 52 -5.248 1.776 -1.795 1.00 0.00 O ATOM 608 CB GLN A 52 -2.336 0.524 -2.541 1.00 0.00 C ATOM 609 CG GLN A 52 -2.680 -0.632 -1.590 1.00 0.00 C ATOM 610 CD GLN A 52 -3.920 -0.298 -0.761 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.888 -1.176 -0.673 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -4.001 0.759 -0.169 1.00 0.00 N flip ATOM 0 H GLN A 52 -2.021 1.606 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.277 0.177 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.567 0.204 -3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.922 1.356 -1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.854 -1.542 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.836 -0.829 -0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.246 1.442 -0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.824 0.964 0.398 1.00 0.00 H new ATOM 621 N GLU A 53 -3.956 3.305 -2.690 1.00 0.00 N ATOM 622 CA GLU A 53 -4.660 4.384 -1.947 1.00 0.00 C ATOM 623 C GLU A 53 -6.053 4.593 -2.531 1.00 0.00 C ATOM 624 O GLU A 53 -7.042 4.399 -1.865 1.00 0.00 O ATOM 625 CB GLU A 53 -3.798 5.631 -2.137 1.00 0.00 C ATOM 626 CG GLU A 53 -4.080 6.623 -1.013 1.00 0.00 C ATOM 627 CD GLU A 53 -4.234 8.022 -1.608 1.00 0.00 C ATOM 628 OE1 GLU A 53 -5.261 8.275 -2.217 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.325 8.816 -1.450 1.00 0.00 O ATOM 0 H GLU A 53 -3.199 3.615 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.790 4.145 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.742 5.359 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.011 6.089 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.987 6.339 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.267 6.610 -0.287 1.00 0.00 H new ATOM 636 N ARG A 54 -6.140 4.973 -3.774 1.00 0.00 N ATOM 637 CA ARG A 54 -7.480 5.177 -4.389 1.00 0.00 C ATOM 638 C ARG A 54 -8.301 3.902 -4.230 1.00 0.00 C ATOM 639 O ARG A 54 -9.512 3.933 -4.127 1.00 0.00 O ATOM 640 CB ARG A 54 -7.215 5.468 -5.868 1.00 0.00 C ATOM 641 CG ARG A 54 -8.414 6.216 -6.455 1.00 0.00 C ATOM 642 CD ARG A 54 -7.977 7.000 -7.695 1.00 0.00 C ATOM 643 NE ARG A 54 -7.162 6.043 -8.492 1.00 0.00 N ATOM 644 CZ ARG A 54 -6.012 6.419 -8.983 1.00 0.00 C ATOM 645 NH1 ARG A 54 -5.102 6.924 -8.195 1.00 0.00 N ATOM 646 NH2 ARG A 54 -5.773 6.289 -10.260 1.00 0.00 N ATOM 0 H ARG A 54 -5.345 5.151 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.036 5.991 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.310 6.065 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.050 4.537 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.202 5.510 -6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.830 6.896 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.838 7.352 -8.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.395 7.880 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.501 5.095 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.290 7.024 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.203 7.218 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.485 5.894 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.875 6.583 -10.643 1.00 0.00 H new ATOM 660 N ASP A 55 -7.641 2.778 -4.200 1.00 0.00 N ATOM 661 CA ASP A 55 -8.365 1.492 -4.040 1.00 0.00 C ATOM 662 C ASP A 55 -8.794 1.304 -2.584 1.00 0.00 C ATOM 663 O ASP A 55 -9.797 0.683 -2.306 1.00 0.00 O ATOM 664 CB ASP A 55 -7.349 0.423 -4.442 1.00 0.00 C ATOM 665 CG ASP A 55 -7.076 0.521 -5.944 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.083 1.629 -6.456 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.864 -0.511 -6.556 1.00 0.00 O ATOM 0 H ASP A 55 -6.627 2.697 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.271 1.446 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.423 0.557 -3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.730 -0.568 -4.194 1.00 0.00 H new ATOM 672 N GLU A 56 -8.041 1.830 -1.654 1.00 0.00 N ATOM 673 CA GLU A 56 -8.408 1.665 -0.215 1.00 0.00 C ATOM 674 C GLU A 56 -9.477 2.678 0.201 1.00 0.00 C ATOM 675 O GLU A 56 -10.279 2.407 1.067 1.00 0.00 O ATOM 676 CB GLU A 56 -7.120 1.898 0.572 1.00 0.00 C ATOM 677 CG GLU A 56 -6.694 0.595 1.251 1.00 0.00 C ATOM 678 CD GLU A 56 -6.985 0.685 2.750 1.00 0.00 C ATOM 679 OE1 GLU A 56 -6.731 1.733 3.321 1.00 0.00 O ATOM 680 OE2 GLU A 56 -7.456 -0.295 3.302 1.00 0.00 O ATOM 0 H GLU A 56 -7.190 2.365 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.826 0.676 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.332 2.247 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.274 2.677 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.231 -0.248 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.632 0.416 1.086 1.00 0.00 H new ATOM 687 N LEU A 57 -9.521 3.829 -0.413 1.00 0.00 N ATOM 688 CA LEU A 57 -10.578 4.810 -0.044 1.00 0.00 C ATOM 689 C LEU A 57 -11.820 4.447 -0.836 1.00 0.00 C ATOM 690 O LEU A 57 -12.904 4.319 -0.303 1.00 0.00 O ATOM 691 CB LEU A 57 -10.064 6.189 -0.460 1.00 0.00 C ATOM 692 CG LEU A 57 -8.611 6.361 -0.026 1.00 0.00 C ATOM 693 CD1 LEU A 57 -7.775 6.747 -1.242 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.523 7.468 1.027 1.00 0.00 C ATOM 0 H LEU A 57 -8.878 4.129 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.811 4.807 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.145 6.305 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.681 6.967 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.237 5.429 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.734 6.873 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.844 5.962 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.148 7.683 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.486 7.592 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.889 8.403 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.131 7.198 1.890 1.00 0.00 H new ATOM 706 N ALA A 58 -11.652 4.236 -2.113 1.00 0.00 N ATOM 707 CA ALA A 58 -12.808 3.831 -2.945 1.00 0.00 C ATOM 708 C ALA A 58 -13.391 2.555 -2.343 1.00 0.00 C ATOM 709 O ALA A 58 -14.589 2.428 -2.136 1.00 0.00 O ATOM 710 CB ALA A 58 -12.225 3.565 -4.335 1.00 0.00 C ATOM 0 H ALA A 58 -10.766 4.327 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.600 4.579 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.023 3.259 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.757 4.474 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.479 2.773 -4.271 1.00 0.00 H new ATOM 716 N TRP A 59 -12.542 1.615 -2.019 1.00 0.00 N ATOM 717 CA TRP A 59 -13.046 0.375 -1.395 1.00 0.00 C ATOM 718 C TRP A 59 -13.678 0.731 -0.052 1.00 0.00 C ATOM 719 O TRP A 59 -14.775 0.332 0.251 1.00 0.00 O ATOM 720 CB TRP A 59 -11.825 -0.516 -1.180 1.00 0.00 C ATOM 721 CG TRP A 59 -12.197 -1.558 -0.190 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.836 -2.709 -0.478 1.00 0.00 C ATOM 723 CD2 TRP A 59 -12.004 -1.536 1.247 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.051 -3.404 0.696 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.545 -2.723 1.791 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.411 -0.609 2.124 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.500 -2.982 3.160 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.366 -0.865 3.500 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.909 -2.048 4.017 1.00 0.00 C ATOM 0 H TRP A 59 -11.533 1.659 -2.161 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.793 -0.128 -2.010 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.515 -0.974 -2.119 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.981 0.072 -0.818 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.131 -3.034 -1.465 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.524 -4.306 0.750 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.988 0.305 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.918 -3.896 3.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.910 -0.147 4.166 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.871 -2.239 5.079 1.00 0.00 H new ATOM 740 N LYS A 60 -12.992 1.487 0.757 1.00 0.00 N ATOM 741 CA LYS A 60 -13.578 1.863 2.069 1.00 0.00 C ATOM 742 C LYS A 60 -15.007 2.333 1.827 1.00 0.00 C ATOM 743 O LYS A 60 -15.898 2.090 2.618 1.00 0.00 O ATOM 744 CB LYS A 60 -12.687 2.974 2.624 1.00 0.00 C ATOM 745 CG LYS A 60 -11.682 2.356 3.604 1.00 0.00 C ATOM 746 CD LYS A 60 -10.493 3.291 3.792 1.00 0.00 C ATOM 747 CE LYS A 60 -10.993 4.616 4.344 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.517 4.651 5.754 1.00 0.00 N ATOM 0 H LYS A 60 -12.060 1.857 0.568 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.620 1.040 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.162 3.478 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.292 3.727 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.165 2.171 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.341 1.392 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.768 2.847 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.982 3.447 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.597 5.456 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.080 4.680 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.824 5.538 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.915 3.844 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.479 4.596 5.771 1.00 0.00 H new ATOM 762 N LYS A 61 -15.245 2.946 0.698 1.00 0.00 N ATOM 763 CA LYS A 61 -16.633 3.359 0.374 1.00 0.00 C ATOM 764 C LYS A 61 -17.435 2.077 0.183 1.00 0.00 C ATOM 765 O LYS A 61 -18.494 1.896 0.747 1.00 0.00 O ATOM 766 CB LYS A 61 -16.532 4.145 -0.934 1.00 0.00 C ATOM 767 CG LYS A 61 -17.200 5.510 -0.765 1.00 0.00 C ATOM 768 CD LYS A 61 -17.925 5.884 -2.058 1.00 0.00 C ATOM 769 CE LYS A 61 -19.256 5.132 -2.130 1.00 0.00 C ATOM 770 NZ LYS A 61 -19.860 5.540 -3.429 1.00 0.00 N ATOM 0 H LYS A 61 -14.543 3.175 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.111 3.968 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.486 4.273 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.012 3.591 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.906 5.482 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.453 6.265 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.100 6.959 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.306 5.634 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.103 4.054 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.904 5.395 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.777 5.064 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.001 6.570 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.225 5.271 -4.207 1.00 0.00 H new ATOM 784 N LEU A 62 -16.898 1.167 -0.589 1.00 0.00 N ATOM 785 CA LEU A 62 -17.584 -0.142 -0.802 1.00 0.00 C ATOM 786 C LEU A 62 -17.962 -0.755 0.556 1.00 0.00 C ATOM 787 O LEU A 62 -19.121 -0.910 0.884 1.00 0.00 O ATOM 788 CB LEU A 62 -16.533 -1.019 -1.489 1.00 0.00 C ATOM 789 CG LEU A 62 -16.911 -1.254 -2.948 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.078 -0.334 -3.842 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.627 -2.716 -3.306 1.00 0.00 C ATOM 0 H LEU A 62 -16.012 1.275 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.498 -0.046 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.556 -0.539 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.450 -1.974 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.969 -1.039 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.346 -0.500 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.274 0.705 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.019 -0.551 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.894 -2.894 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.567 -2.927 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.217 -3.369 -2.663 1.00 0.00 H new ATOM 803 N LYS A 63 -16.976 -1.099 1.344 1.00 0.00 N ATOM 804 CA LYS A 63 -17.228 -1.696 2.682 1.00 0.00 C ATOM 805 C LYS A 63 -18.317 -0.909 3.417 1.00 0.00 C ATOM 806 O LYS A 63 -19.204 -1.478 4.021 1.00 0.00 O ATOM 807 CB LYS A 63 -15.882 -1.556 3.392 1.00 0.00 C ATOM 808 CG LYS A 63 -15.740 -2.619 4.485 1.00 0.00 C ATOM 809 CD LYS A 63 -16.416 -2.137 5.771 1.00 0.00 C ATOM 810 CE LYS A 63 -15.748 -2.802 6.977 1.00 0.00 C ATOM 811 NZ LYS A 63 -16.755 -3.769 7.494 1.00 0.00 N ATOM 0 H LYS A 63 -15.990 -0.988 1.108 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.576 -2.728 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.071 -1.657 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.797 -0.562 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.191 -3.555 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.686 -2.822 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.339 -1.053 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.478 -2.380 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.827 -3.309 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.482 -2.066 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.368 -4.264 8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.618 -3.258 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.983 -4.462 6.753 1.00 0.00 H new ATOM 825 N LEU A 64 -18.258 0.395 3.370 1.00 0.00 N ATOM 826 CA LEU A 64 -19.293 1.211 4.067 1.00 0.00 C ATOM 827 C LEU A 64 -20.679 0.881 3.508 1.00 0.00 C ATOM 828 O LEU A 64 -21.643 0.760 4.237 1.00 0.00 O ATOM 829 CB LEU A 64 -18.923 2.664 3.766 1.00 0.00 C ATOM 830 CG LEU A 64 -17.688 3.052 4.579 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.956 4.198 3.881 1.00 0.00 C ATOM 832 CD2 LEU A 64 -18.119 3.501 5.978 1.00 0.00 C ATOM 0 H LEU A 64 -17.540 0.929 2.880 1.00 0.00 H new ATOM 0 HA LEU A 64 -19.325 1.016 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.725 2.787 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.756 3.322 4.013 1.00 0.00 H new ATOM 0 HG LEU A 64 -17.023 2.192 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.076 4.474 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.649 3.880 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.621 5.058 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.239 3.778 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.784 4.360 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.641 2.685 6.477 1.00 0.00 H new ATOM 844 N ASP A 65 -20.780 0.728 2.217 1.00 0.00 N ATOM 845 CA ASP A 65 -22.095 0.400 1.600 1.00 0.00 C ATOM 846 C ASP A 65 -22.385 -1.097 1.753 1.00 0.00 C ATOM 847 O ASP A 65 -23.476 -1.559 1.483 1.00 0.00 O ATOM 848 CB ASP A 65 -21.938 0.771 0.124 1.00 0.00 C ATOM 849 CG ASP A 65 -22.692 2.072 -0.157 1.00 0.00 C ATOM 850 OD1 ASP A 65 -23.775 2.234 0.381 1.00 0.00 O ATOM 851 OD2 ASP A 65 -22.174 2.883 -0.906 1.00 0.00 O ATOM 0 H ASP A 65 -20.005 0.816 1.560 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.922 0.934 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.883 0.889 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.325 -0.030 -0.507 1.00 0.00 H new ATOM 856 N GLY A 66 -21.414 -1.857 2.185 1.00 0.00 N ATOM 857 CA GLY A 66 -21.632 -3.323 2.356 1.00 0.00 C ATOM 858 C GLY A 66 -21.239 -4.053 1.071 1.00 0.00 C ATOM 859 O GLY A 66 -22.006 -4.820 0.522 1.00 0.00 O ATOM 0 H GLY A 66 -20.480 -1.526 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.040 -3.694 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.677 -3.520 2.593 1.00 0.00 H new ATOM 863 N LEU A 67 -20.054 -3.817 0.579 1.00 0.00 N ATOM 864 CA LEU A 67 -19.622 -4.495 -0.676 1.00 0.00 C ATOM 865 C LEU A 67 -18.670 -5.644 -0.350 1.00 0.00 C ATOM 866 O LEU A 67 -18.888 -6.774 -0.736 1.00 0.00 O ATOM 867 CB LEU A 67 -18.893 -3.417 -1.480 1.00 0.00 C ATOM 868 CG LEU A 67 -19.893 -2.411 -2.092 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.253 -2.853 -3.510 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.176 -2.325 -1.254 1.00 0.00 C ATOM 0 H LEU A 67 -19.367 -3.185 0.991 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.463 -4.918 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.190 -2.890 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.309 -3.883 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.422 -1.428 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.959 -2.145 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.351 -2.887 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.707 -3.844 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.861 -1.609 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.650 -3.306 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.929 -1.999 -0.244 1.00 0.00 H new ATOM 882 N ASP A 68 -17.612 -5.359 0.357 1.00 0.00 N ATOM 883 CA ASP A 68 -16.640 -6.430 0.710 1.00 0.00 C ATOM 884 C ASP A 68 -17.101 -7.161 1.976 1.00 0.00 C ATOM 885 O ASP A 68 -16.367 -7.290 2.935 1.00 0.00 O ATOM 886 CB ASP A 68 -15.324 -5.694 0.959 1.00 0.00 C ATOM 887 CG ASP A 68 -14.300 -6.654 1.570 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.992 -7.647 0.931 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.841 -6.377 2.666 1.00 0.00 O ATOM 0 H ASP A 68 -17.379 -4.429 0.706 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.544 -7.183 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.941 -5.287 0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.490 -4.850 1.629 1.00 0.00 H new ATOM 894 N GLU A 69 -18.318 -7.634 1.990 1.00 0.00 N ATOM 895 CA GLU A 69 -18.827 -8.350 3.195 1.00 0.00 C ATOM 896 C GLU A 69 -18.170 -9.727 3.311 1.00 0.00 C ATOM 897 O GLU A 69 -18.377 -10.444 4.271 1.00 0.00 O ATOM 898 CB GLU A 69 -20.330 -8.495 2.959 1.00 0.00 C ATOM 899 CG GLU A 69 -20.956 -7.109 2.778 1.00 0.00 C ATOM 900 CD GLU A 69 -21.814 -6.767 3.999 1.00 0.00 C ATOM 901 OE1 GLU A 69 -21.924 -7.607 4.878 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.348 -5.671 4.034 1.00 0.00 O ATOM 0 H GLU A 69 -18.982 -7.556 1.219 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.606 -7.814 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.513 -9.106 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.793 -9.007 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.174 -6.360 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.567 -7.090 1.875 1.00 0.00 H new ATOM 909 N ASP A 70 -17.383 -10.106 2.343 1.00 0.00 N ATOM 910 CA ASP A 70 -16.717 -11.439 2.407 1.00 0.00 C ATOM 911 C ASP A 70 -15.197 -11.273 2.411 1.00 0.00 C ATOM 912 O ASP A 70 -14.468 -12.155 2.821 1.00 0.00 O ATOM 913 CB ASP A 70 -17.175 -12.175 1.147 1.00 0.00 C ATOM 914 CG ASP A 70 -16.504 -11.559 -0.082 1.00 0.00 C ATOM 915 OD1 ASP A 70 -16.950 -10.508 -0.512 1.00 0.00 O ATOM 916 OD2 ASP A 70 -15.558 -12.152 -0.574 1.00 0.00 O ATOM 0 H ASP A 70 -17.172 -9.553 1.512 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.977 -11.986 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.922 -13.233 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -18.259 -12.112 1.051 1.00 0.00 H new ATOM 921 N GLY A 71 -14.713 -10.150 1.958 1.00 0.00 N ATOM 922 CA GLY A 71 -13.241 -9.928 1.936 1.00 0.00 C ATOM 923 C GLY A 71 -12.725 -10.073 0.504 1.00 0.00 C ATOM 924 O GLY A 71 -11.616 -10.514 0.276 1.00 0.00 O ATOM 0 H GLY A 71 -15.274 -9.376 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.006 -8.935 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.744 -10.647 2.587 1.00 0.00 H new ATOM 928 N GLU A 72 -13.520 -9.702 -0.464 1.00 0.00 N ATOM 929 CA GLU A 72 -13.074 -9.816 -1.884 1.00 0.00 C ATOM 930 C GLU A 72 -12.359 -8.531 -2.314 1.00 0.00 C ATOM 931 O GLU A 72 -11.164 -8.518 -2.530 1.00 0.00 O ATOM 932 CB GLU A 72 -14.358 -10.012 -2.688 1.00 0.00 C ATOM 933 CG GLU A 72 -14.033 -10.688 -4.021 1.00 0.00 C ATOM 934 CD GLU A 72 -15.008 -10.199 -5.093 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.023 -9.007 -5.352 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.725 -11.025 -5.636 1.00 0.00 O ATOM 0 H GLU A 72 -14.459 -9.325 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.372 -10.637 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.063 -10.621 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.838 -9.050 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.008 -10.461 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.103 -11.771 -3.918 1.00 0.00 H new ATOM 943 N LYS A 73 -13.078 -7.448 -2.431 1.00 0.00 N ATOM 944 CA LYS A 73 -12.425 -6.171 -2.836 1.00 0.00 C ATOM 945 C LYS A 73 -11.289 -5.854 -1.865 1.00 0.00 C ATOM 946 O LYS A 73 -10.179 -5.561 -2.263 1.00 0.00 O ATOM 947 CB LYS A 73 -13.525 -5.113 -2.750 1.00 0.00 C ATOM 948 CG LYS A 73 -14.689 -5.511 -3.659 1.00 0.00 C ATOM 949 CD LYS A 73 -14.151 -5.908 -5.036 1.00 0.00 C ATOM 950 CE LYS A 73 -15.235 -5.685 -6.091 1.00 0.00 C ATOM 951 NZ LYS A 73 -16.181 -6.823 -5.920 1.00 0.00 N ATOM 0 H LYS A 73 -14.083 -7.392 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.995 -6.215 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.871 -5.015 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.133 -4.141 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.240 -6.342 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.389 -4.681 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.267 -5.317 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.844 -6.954 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.737 -4.729 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.811 -5.672 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.812 -6.877 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.645 -7.710 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.747 -6.677 -5.060 1.00 0.00 H new ATOM 965 N GLU A 74 -11.555 -5.922 -0.588 1.00 0.00 N ATOM 966 CA GLU A 74 -10.486 -5.638 0.408 1.00 0.00 C ATOM 967 C GLU A 74 -9.320 -6.606 0.197 1.00 0.00 C ATOM 968 O GLU A 74 -8.173 -6.275 0.423 1.00 0.00 O ATOM 969 CB GLU A 74 -11.136 -5.869 1.773 1.00 0.00 C ATOM 970 CG GLU A 74 -10.048 -6.000 2.841 1.00 0.00 C ATOM 971 CD GLU A 74 -10.689 -6.376 4.178 1.00 0.00 C ATOM 972 OE1 GLU A 74 -11.550 -5.637 4.628 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.307 -7.394 4.730 1.00 0.00 O ATOM 0 H GLU A 74 -12.465 -6.162 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.090 -4.626 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.801 -5.040 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.747 -6.771 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.324 -6.759 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.503 -5.061 2.938 1.00 0.00 H new ATOM 980 N ALA A 75 -9.608 -7.801 -0.246 1.00 0.00 N ATOM 981 CA ALA A 75 -8.519 -8.789 -0.483 1.00 0.00 C ATOM 982 C ALA A 75 -7.537 -8.228 -1.512 1.00 0.00 C ATOM 983 O ALA A 75 -6.338 -8.408 -1.407 1.00 0.00 O ATOM 984 CB ALA A 75 -9.223 -10.035 -1.024 1.00 0.00 C ATOM 0 H ALA A 75 -10.550 -8.134 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.949 -9.013 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.485 -10.812 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.940 -10.397 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.746 -9.785 -1.947 1.00 0.00 H new ATOM 990 N ARG A 76 -8.036 -7.537 -2.502 1.00 0.00 N ATOM 991 CA ARG A 76 -7.130 -6.953 -3.529 1.00 0.00 C ATOM 992 C ARG A 76 -6.173 -5.965 -2.863 1.00 0.00 C ATOM 993 O ARG A 76 -5.027 -5.847 -3.242 1.00 0.00 O ATOM 994 CB ARG A 76 -8.045 -6.234 -4.519 1.00 0.00 C ATOM 995 CG ARG A 76 -7.192 -5.377 -5.455 1.00 0.00 C ATOM 996 CD ARG A 76 -7.709 -5.507 -6.890 1.00 0.00 C ATOM 997 NE ARG A 76 -7.313 -6.877 -7.320 1.00 0.00 N ATOM 998 CZ ARG A 76 -8.099 -7.572 -8.096 1.00 0.00 C ATOM 999 NH1 ARG A 76 -9.170 -8.134 -7.607 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -7.814 -7.703 -9.364 1.00 0.00 N ATOM 0 H ARG A 76 -9.029 -7.353 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.524 -7.709 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.621 -6.959 -5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.761 -5.609 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.225 -4.334 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.150 -5.693 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.790 -5.377 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.271 -4.748 -7.538 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.426 -7.272 -7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.394 -8.030 -6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.784 -8.677 -8.214 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.978 -7.262 -9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.428 -8.246 -9.971 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.632 -5.262 -1.863 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.737 -4.295 -1.168 1.00 0.00 C ATOM 1016 C LEU A 77 -4.686 -5.067 -0.374 1.00 0.00 C ATOM 1017 O LEU A 77 -3.540 -4.680 -0.291 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.641 -3.514 -0.214 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.783 -2.866 -0.994 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -8.872 -2.394 -0.024 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.265 -1.670 -1.791 1.00 0.00 C ATOM 0 H LEU A 77 -7.583 -5.315 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.220 -3.634 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.043 -4.181 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.063 -2.749 0.304 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.199 -3.603 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.684 -1.932 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.256 -3.247 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.451 -1.666 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.088 -1.216 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.837 -0.936 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.499 -2.004 -2.491 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.084 -6.157 0.212 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.130 -6.977 1.013 1.00 0.00 C ATOM 1035 C ILE A 78 -3.014 -7.530 0.120 1.00 0.00 C ATOM 1036 O ILE A 78 -1.851 -7.484 0.467 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.969 -8.123 1.576 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.946 -7.578 2.620 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.049 -9.154 2.232 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.821 -8.719 3.140 1.00 0.00 C ATOM 0 H ILE A 78 -6.036 -6.521 0.172 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.649 -6.392 1.797 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.527 -8.594 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.398 -7.121 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.568 -6.799 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.647 -9.972 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.352 -9.544 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.491 -8.681 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.518 -8.333 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.379 -9.156 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.190 -9.483 3.595 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.355 -8.060 -1.024 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.304 -8.620 -1.922 1.00 0.00 C ATOM 1054 C ARG A 79 -1.479 -7.493 -2.547 1.00 0.00 C ATOM 1055 O ARG A 79 -0.276 -7.586 -2.642 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.064 -9.396 -2.997 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.064 -10.060 -3.946 1.00 0.00 C ATOM 1058 CD ARG A 79 -2.786 -11.106 -4.798 1.00 0.00 C ATOM 1059 NE ARG A 79 -2.073 -12.384 -4.521 1.00 0.00 N ATOM 1060 CZ ARG A 79 -2.744 -13.501 -4.435 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -3.909 -13.519 -3.848 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -2.246 -14.600 -4.933 1.00 0.00 N ATOM 0 H ARG A 79 -4.310 -8.129 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.604 -9.258 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.700 -10.151 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.718 -8.724 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.602 -9.310 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.263 -10.530 -3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.840 -11.175 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.743 -10.851 -5.857 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.060 -12.387 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.296 -12.660 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.433 -14.392 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.334 -14.586 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.769 -15.473 -4.866 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.103 -6.423 -2.961 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.318 -5.302 -3.552 1.00 0.00 C ATOM 1078 C ASN A 80 -0.324 -4.807 -2.504 1.00 0.00 C ATOM 1079 O ASN A 80 0.829 -4.536 -2.787 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.346 -4.218 -3.874 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.696 -4.263 -5.361 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.616 -5.302 -5.986 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.085 -3.169 -5.958 1.00 0.00 N ATOM 0 H ASN A 80 -3.112 -6.277 -2.916 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.758 -5.589 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.244 -4.366 -3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.948 -3.237 -3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.322 -3.186 -6.950 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.152 -2.297 -5.432 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.764 -4.718 -1.282 1.00 0.00 N ATOM 1091 CA LEU A 81 0.141 -4.276 -0.194 1.00 0.00 C ATOM 1092 C LEU A 81 1.279 -5.287 -0.079 1.00 0.00 C ATOM 1093 O LEU A 81 2.409 -4.995 -0.380 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.724 -4.278 1.067 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.489 -2.992 1.860 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.990 -2.881 2.235 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.890 -1.792 1.001 1.00 0.00 C ATOM 0 H LEU A 81 -1.717 -4.934 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 81 0.581 -3.293 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.777 -4.362 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.483 -5.145 1.683 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.089 -3.010 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.154 -1.963 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.276 -3.738 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.595 -2.862 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.725 -0.872 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.287 -1.777 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.944 -1.871 0.736 1.00 0.00 H new ATOM 1109 N ASN A 82 0.974 -6.486 0.332 1.00 0.00 N ATOM 1110 CA ASN A 82 2.027 -7.534 0.445 1.00 0.00 C ATOM 1111 C ASN A 82 2.974 -7.473 -0.759 1.00 0.00 C ATOM 1112 O ASN A 82 4.158 -7.726 -0.648 1.00 0.00 O ATOM 1113 CB ASN A 82 1.247 -8.847 0.447 1.00 0.00 C ATOM 1114 CG ASN A 82 1.092 -9.349 1.883 1.00 0.00 C ATOM 1115 OD1 ASN A 82 2.067 -9.568 2.573 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.106 -9.540 2.364 1.00 0.00 N ATOM 0 H ASN A 82 0.036 -6.787 0.596 1.00 0.00 H new ATOM 0 HA ASN A 82 2.647 -7.414 1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.266 -8.700 -0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.767 -9.592 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.224 -9.874 3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.924 -9.356 1.783 1.00 0.00 H new ATOM 1123 N VAL A 83 2.459 -7.131 -1.907 1.00 0.00 N ATOM 1124 CA VAL A 83 3.320 -7.048 -3.122 1.00 0.00 C ATOM 1125 C VAL A 83 4.310 -5.894 -2.966 1.00 0.00 C ATOM 1126 O VAL A 83 5.500 -6.046 -3.169 1.00 0.00 O ATOM 1127 CB VAL A 83 2.340 -6.790 -4.269 1.00 0.00 C ATOM 1128 CG1 VAL A 83 3.075 -6.185 -5.465 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.695 -8.114 -4.684 1.00 0.00 C ATOM 0 H VAL A 83 1.476 -6.905 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 83 3.911 -7.948 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 83 1.573 -6.091 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.367 -6.006 -6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.535 -5.242 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.847 -6.875 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.995 -7.938 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.468 -8.808 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.161 -8.541 -3.835 1.00 0.00 H new ATOM 1139 N ILE A 84 3.831 -4.746 -2.582 1.00 0.00 N ATOM 1140 CA ILE A 84 4.748 -3.593 -2.387 1.00 0.00 C ATOM 1141 C ILE A 84 5.734 -3.947 -1.271 1.00 0.00 C ATOM 1142 O ILE A 84 6.928 -3.810 -1.419 1.00 0.00 O ATOM 1143 CB ILE A 84 3.836 -2.426 -1.995 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.060 -1.956 -3.233 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.683 -1.272 -1.455 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.686 -1.420 -2.814 1.00 0.00 C ATOM 0 H ILE A 84 2.846 -4.557 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 84 5.335 -3.339 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 84 3.137 -2.751 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.621 -1.178 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.940 -2.783 -3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.033 -0.443 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.239 -1.607 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.382 -0.943 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.140 -1.088 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.124 -2.210 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.816 -0.581 -2.131 1.00 0.00 H new ATOM 1158 N LEU A 85 5.242 -4.444 -0.170 1.00 0.00 N ATOM 1159 CA LEU A 85 6.145 -4.851 0.938 1.00 0.00 C ATOM 1160 C LEU A 85 7.108 -5.907 0.413 1.00 0.00 C ATOM 1161 O LEU A 85 8.204 -6.072 0.906 1.00 0.00 O ATOM 1162 CB LEU A 85 5.227 -5.468 1.992 1.00 0.00 C ATOM 1163 CG LEU A 85 4.545 -4.372 2.804 1.00 0.00 C ATOM 1164 CD1 LEU A 85 5.564 -3.702 3.727 1.00 0.00 C ATOM 1165 CD2 LEU A 85 3.941 -3.325 1.867 1.00 0.00 C ATOM 0 H LEU A 85 4.248 -4.586 0.009 1.00 0.00 H new ATOM 0 HA LEU A 85 6.725 -4.021 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.476 -6.094 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.804 -6.115 2.653 1.00 0.00 H new ATOM 0 HG LEU A 85 3.751 -4.818 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.072 -2.920 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.984 -4.445 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.363 -3.263 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.456 -2.546 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.730 -2.882 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.206 -3.799 1.217 1.00 0.00 H new ATOM 1177 N ALA A 86 6.690 -6.627 -0.591 1.00 0.00 N ATOM 1178 CA ALA A 86 7.571 -7.681 -1.171 1.00 0.00 C ATOM 1179 C ALA A 86 8.618 -7.036 -2.083 1.00 0.00 C ATOM 1180 O ALA A 86 9.706 -7.548 -2.258 1.00 0.00 O ATOM 1181 CB ALA A 86 6.636 -8.581 -1.980 1.00 0.00 C ATOM 0 H ALA A 86 5.777 -6.532 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 86 8.109 -8.242 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.212 -9.384 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.881 -9.008 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.148 -7.993 -2.758 1.00 0.00 H new ATOM 1187 N LYS A 87 8.293 -5.913 -2.666 1.00 0.00 N ATOM 1188 CA LYS A 87 9.262 -5.225 -3.571 1.00 0.00 C ATOM 1189 C LYS A 87 10.122 -4.238 -2.784 1.00 0.00 C ATOM 1190 O LYS A 87 11.125 -3.749 -3.264 1.00 0.00 O ATOM 1191 CB LYS A 87 8.399 -4.452 -4.560 1.00 0.00 C ATOM 1192 CG LYS A 87 9.294 -3.875 -5.655 1.00 0.00 C ATOM 1193 CD LYS A 87 8.441 -3.160 -6.701 1.00 0.00 C ATOM 1194 CE LYS A 87 8.637 -3.831 -8.061 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.274 -3.906 -8.655 1.00 0.00 N ATOM 0 H LYS A 87 7.396 -5.441 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 87 9.931 -5.936 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.646 -5.108 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.866 -3.651 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.012 -3.179 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.868 -4.673 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.390 -3.194 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.722 -2.108 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.311 -3.253 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.075 -4.823 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.328 -4.356 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.656 -4.468 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.885 -2.947 -8.754 1.00 0.00 H new ATOM 1209 N TYR A 88 9.721 -3.927 -1.588 1.00 0.00 N ATOM 1210 CA TYR A 88 10.493 -2.955 -0.771 1.00 0.00 C ATOM 1211 C TYR A 88 10.687 -3.500 0.639 1.00 0.00 C ATOM 1212 O TYR A 88 11.166 -2.812 1.519 1.00 0.00 O ATOM 1213 CB TYR A 88 9.619 -1.698 -0.737 1.00 0.00 C ATOM 1214 CG TYR A 88 9.088 -1.405 -2.118 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.972 -1.039 -3.132 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.718 -1.499 -2.381 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.491 -0.764 -4.415 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.231 -1.228 -3.664 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.118 -0.859 -4.684 1.00 0.00 C ATOM 1220 OH TYR A 88 7.640 -0.582 -5.948 1.00 0.00 O ATOM 0 H TYR A 88 8.888 -4.306 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 88 11.484 -2.759 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.791 -1.839 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.200 -0.850 -0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.030 -0.968 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.035 -1.781 -1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.177 -0.478 -5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.173 -1.303 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 88 6.722 -0.915 -6.031 1.00 0.00 H new ATOM 1230 N GLY A 89 10.307 -4.731 0.863 1.00 0.00 N ATOM 1231 CA GLY A 89 10.454 -5.323 2.223 1.00 0.00 C ATOM 1232 C GLY A 89 10.059 -4.275 3.263 1.00 0.00 C ATOM 1233 O GLY A 89 10.680 -4.146 4.300 1.00 0.00 O ATOM 0 H GLY A 89 9.901 -5.351 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.823 -6.207 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.482 -5.646 2.385 1.00 0.00 H new ATOM 1237 N LEU A 90 9.034 -3.515 2.984 1.00 0.00 N ATOM 1238 CA LEU A 90 8.602 -2.463 3.943 1.00 0.00 C ATOM 1239 C LEU A 90 7.945 -3.095 5.168 1.00 0.00 C ATOM 1240 O LEU A 90 7.567 -2.417 6.100 1.00 0.00 O ATOM 1241 CB LEU A 90 7.597 -1.622 3.165 1.00 0.00 C ATOM 1242 CG LEU A 90 8.344 -0.631 2.272 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.415 -0.161 1.150 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.791 0.566 3.113 1.00 0.00 C ATOM 0 H LEU A 90 8.478 -3.579 2.131 1.00 0.00 H new ATOM 0 HA LEU A 90 9.437 -1.868 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.960 -2.266 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.944 -1.086 3.854 1.00 0.00 H new ATOM 0 HG LEU A 90 9.219 -1.112 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.945 0.546 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.098 -1.019 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.540 0.325 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.324 1.276 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.917 1.052 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.450 0.224 3.911 1.00 0.00 H new ATOM 1256 N ASP A 91 7.808 -4.390 5.175 1.00 0.00 N ATOM 1257 CA ASP A 91 7.179 -5.062 6.346 1.00 0.00 C ATOM 1258 C ASP A 91 8.238 -5.341 7.416 1.00 0.00 C ATOM 1259 O ASP A 91 8.413 -6.462 7.855 1.00 0.00 O ATOM 1260 CB ASP A 91 6.612 -6.372 5.798 1.00 0.00 C ATOM 1261 CG ASP A 91 7.746 -7.208 5.203 1.00 0.00 C ATOM 1262 OD1 ASP A 91 8.453 -7.843 5.969 1.00 0.00 O ATOM 1263 OD2 ASP A 91 7.888 -7.202 3.992 1.00 0.00 O ATOM 0 H ASP A 91 8.103 -5.012 4.423 1.00 0.00 H new ATOM 0 HA ASP A 91 6.405 -4.450 6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.115 -6.927 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.860 -6.165 5.037 1.00 0.00 H new ATOM 1268 N GLY A 92 8.952 -4.332 7.835 1.00 0.00 N ATOM 1269 CA GLY A 92 10.003 -4.543 8.872 1.00 0.00 C ATOM 1270 C GLY A 92 9.656 -3.747 10.132 1.00 0.00 C ATOM 1271 O GLY A 92 8.511 -3.668 10.534 1.00 0.00 O ATOM 0 H GLY A 92 8.854 -3.372 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.083 -5.603 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.974 -4.229 8.488 1.00 0.00 H new ATOM 1275 N LYS A 93 10.637 -3.160 10.759 1.00 0.00 N ATOM 1276 CA LYS A 93 10.368 -2.372 11.995 1.00 0.00 C ATOM 1277 C LYS A 93 9.889 -3.300 13.115 1.00 0.00 C ATOM 1278 O LYS A 93 8.963 -2.991 13.839 1.00 0.00 O ATOM 1279 CB LYS A 93 9.267 -1.384 11.608 1.00 0.00 C ATOM 1280 CG LYS A 93 9.353 -0.148 12.505 1.00 0.00 C ATOM 1281 CD LYS A 93 8.194 0.797 12.185 1.00 0.00 C ATOM 1282 CE LYS A 93 7.438 1.131 13.472 1.00 0.00 C ATOM 1283 NZ LYS A 93 6.627 -0.083 13.768 1.00 0.00 N ATOM 0 H LYS A 93 11.614 -3.192 10.469 1.00 0.00 H new ATOM 0 HA LYS A 93 11.258 -1.862 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.373 -1.096 10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.289 -1.854 11.711 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.316 -0.443 13.554 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.304 0.361 12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.572 1.710 11.725 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.520 0.333 11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.126 1.355 14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.803 2.007 13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.661 0.200 14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.593 -0.692 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.060 -0.606 14.556 1.00 0.00 H new ATOM 1297 N LYS A 94 10.514 -4.437 13.263 1.00 0.00 N ATOM 1298 CA LYS A 94 10.095 -5.387 14.335 1.00 0.00 C ATOM 1299 C LYS A 94 11.156 -6.476 14.522 1.00 0.00 C ATOM 1300 O LYS A 94 10.866 -7.567 14.973 1.00 0.00 O ATOM 1301 CB LYS A 94 8.787 -5.998 13.833 1.00 0.00 C ATOM 1302 CG LYS A 94 8.986 -6.534 12.415 1.00 0.00 C ATOM 1303 CD LYS A 94 8.007 -7.681 12.158 1.00 0.00 C ATOM 1304 CE LYS A 94 6.827 -7.170 11.328 1.00 0.00 C ATOM 1305 NZ LYS A 94 5.875 -8.313 11.266 1.00 0.00 N ATOM 0 H LYS A 94 11.297 -4.750 12.688 1.00 0.00 H new ATOM 0 HA LYS A 94 9.972 -4.893 15.299 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.471 -6.803 14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.996 -5.248 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.827 -5.737 11.689 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.011 -6.882 12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.511 -8.492 11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.650 -8.088 13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.367 -6.298 11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.147 -6.869 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.039 -8.039 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.338 -9.127 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.582 -8.573 12.229 1.00 0.00 H new ATOM 1319 N ASP A 95 12.382 -6.192 14.177 1.00 0.00 N ATOM 1320 CA ASP A 95 13.456 -7.214 14.334 1.00 0.00 C ATOM 1321 C ASP A 95 14.179 -7.025 15.669 1.00 0.00 C ATOM 1322 O ASP A 95 14.441 -5.917 16.094 1.00 0.00 O ATOM 1323 CB ASP A 95 14.413 -6.965 13.168 1.00 0.00 C ATOM 1324 CG ASP A 95 15.168 -8.255 12.842 1.00 0.00 C ATOM 1325 OD1 ASP A 95 14.571 -9.131 12.238 1.00 0.00 O ATOM 1326 OD2 ASP A 95 16.331 -8.345 13.201 1.00 0.00 O ATOM 0 H ASP A 95 12.687 -5.297 13.793 1.00 0.00 H new ATOM 0 HA ASP A 95 13.061 -8.230 14.329 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.857 -6.626 12.294 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.118 -6.174 13.425 1.00 0.00 H new ATOM 1331 N ALA A 96 14.503 -8.098 16.336 1.00 0.00 N ATOM 1332 CA ALA A 96 15.210 -7.980 17.643 1.00 0.00 C ATOM 1333 C ALA A 96 16.565 -8.691 17.577 1.00 0.00 C ATOM 1334 O ALA A 96 16.917 -9.456 18.453 1.00 0.00 O ATOM 1335 CB ALA A 96 14.291 -8.667 18.652 1.00 0.00 C ATOM 0 H ALA A 96 14.309 -9.052 16.033 1.00 0.00 H new ATOM 0 HA ALA A 96 15.409 -6.943 17.914 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.742 -8.623 19.643 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.326 -8.160 18.669 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.149 -9.709 18.364 1.00 0.00 H new ATOM 1341 N ARG A 97 17.328 -8.443 16.547 1.00 0.00 N ATOM 1342 CA ARG A 97 18.660 -9.104 16.429 1.00 0.00 C ATOM 1343 C ARG A 97 19.758 -8.051 16.249 1.00 0.00 C ATOM 1344 O ARG A 97 19.543 -7.127 15.481 1.00 0.00 O ATOM 1345 CB ARG A 97 18.558 -9.990 15.185 1.00 0.00 C ATOM 1346 CG ARG A 97 17.936 -11.335 15.564 1.00 0.00 C ATOM 1347 CD ARG A 97 17.905 -12.247 14.336 1.00 0.00 C ATOM 1348 NE ARG A 97 18.551 -13.513 14.780 1.00 0.00 N ATOM 1349 CZ ARG A 97 19.759 -13.492 15.275 1.00 0.00 C ATOM 1350 NH1 ARG A 97 20.784 -13.323 14.486 1.00 0.00 N ATOM 1351 NH2 ARG A 97 19.942 -13.641 16.559 1.00 0.00 N ATOM 1352 OXT ARG A 97 20.791 -8.186 16.882 1.00 0.00 O ATOM 0 H ARG A 97 17.087 -7.812 15.783 1.00 0.00 H new ATOM 0 HA ARG A 97 18.914 -9.681 17.319 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.951 -9.498 14.425 1.00 0.00 H new ATOM 0 HB3 ARG A 97 19.547 -10.144 14.753 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.512 -11.802 16.363 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.926 -11.186 15.945 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.883 -12.422 14.000 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.443 -11.801 13.500 1.00 0.00 H new ATOM 0 HE ARG A 97 18.049 -14.397 14.697 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.642 -13.207 13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.728 -13.307 14.872 1.00 0.00 H new ATOM 0 HH21 ARG A 97 19.141 -13.774 17.176 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.886 -13.624 16.945 1.00 0.00 H new TER 1366 ARG A 97