USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl 160:sc=-0.00627 (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl 157:sc= -6.08! (180deg=-3.84!) USER MOD Set 1.3: A 86 MET CE :methyl -157:sc= -7.66! (180deg=-8.94!) USER MOD Set 2.1: A 28 MET CE :methyl -163:sc= -1.99! (180deg=-0.764) USER MOD Set 2.2: A 48 MET CE :methyl 180:sc= -8.35! (180deg=-8.22!) USER MOD Set 3.1: A 46 MET CE :methyl -170:sc= -2.97 (180deg=-4.09!) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.692 K(o=-3.7,f=-6.8!) USER MOD Set 4.1: A 38 SER OG : rot 137:sc= 1.12 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0.00179 USER MOD Set 4.3: A 40 LYS NZ :NH3+ -117:sc= 0.779 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -7.25! C(o=-7.2!,f=-7.3!) USER MOD Single : A 7 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 23 LYS NZ :NH3+ 135:sc= 1.28 (180deg=0.234) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 82:sc= 0.808 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -129:sc= -4.46! (180deg=-10.6!) USER MOD Single : A 85 GLN : amide:sc= -2.57 X(o=-2.6,f=-3) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= 1.32 (180deg=-0.0259) USER MOD Single : B 117 SER OG : rot -30:sc= 0.268 USER MOD Single : B 121 MET CE :methyl 143:sc= -5.13! (180deg=-7.43!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.686 2.964 -1.851 1.00 0.00 N ATOM 68 CA GLN A 6 -13.767 2.789 -0.729 1.00 0.00 C ATOM 69 C GLN A 6 -12.336 3.149 -1.121 1.00 0.00 C ATOM 70 O GLN A 6 -11.522 3.506 -0.269 1.00 0.00 O ATOM 71 CB GLN A 6 -13.821 1.347 -0.220 1.00 0.00 C ATOM 72 CG GLN A 6 -13.382 0.318 -1.251 1.00 0.00 C ATOM 73 CD GLN A 6 -12.125 -0.423 -0.840 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.191 -1.503 -0.254 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.971 0.157 -1.145 1.00 0.00 N ATOM 0 HA GLN A 6 -14.081 3.464 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.187 1.258 0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.839 1.120 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.187 -0.400 -1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.210 0.816 -2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.964 1.053 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.091 -0.294 -0.893 1.00 0.00 H new ATOM 84 N GLN A 7 -12.033 3.056 -2.414 1.00 0.00 N ATOM 85 CA GLN A 7 -10.695 3.376 -2.910 1.00 0.00 C ATOM 86 C GLN A 7 -10.505 4.884 -3.056 1.00 0.00 C ATOM 87 O GLN A 7 -9.395 5.355 -3.304 1.00 0.00 O ATOM 88 CB GLN A 7 -10.437 2.700 -4.261 1.00 0.00 C ATOM 89 CG GLN A 7 -11.245 1.431 -4.490 1.00 0.00 C ATOM 90 CD GLN A 7 -10.516 0.424 -5.357 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.664 0.788 -6.168 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.848 -0.851 -5.190 1.00 0.00 N ATOM 0 H GLN A 7 -12.692 2.763 -3.135 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.981 3.000 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.662 3.409 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.376 2.460 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.478 0.975 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.194 1.689 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.560 -1.107 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.391 -1.574 -5.746 1.00 0.00 H new ATOM 101 N ALA A 8 -11.590 5.635 -2.908 1.00 0.00 N ATOM 102 CA ALA A 8 -11.534 7.084 -3.033 1.00 0.00 C ATOM 103 C ALA A 8 -11.257 7.746 -1.688 1.00 0.00 C ATOM 104 O ALA A 8 -10.354 8.573 -1.566 1.00 0.00 O ATOM 105 CB ALA A 8 -12.829 7.615 -3.629 1.00 0.00 C ATOM 0 H ALA A 8 -12.517 5.264 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.711 7.331 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.771 8.700 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.981 7.179 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.664 7.347 -2.982 1.00 0.00 H new ATOM 111 N GLU A 9 -12.039 7.374 -0.676 1.00 0.00 N ATOM 112 CA GLU A 9 -11.873 7.933 0.662 1.00 0.00 C ATOM 113 C GLU A 9 -10.442 7.741 1.139 1.00 0.00 C ATOM 114 O GLU A 9 -9.836 8.649 1.707 1.00 0.00 O ATOM 115 CB GLU A 9 -12.846 7.272 1.641 1.00 0.00 C ATOM 116 CG GLU A 9 -14.259 7.137 1.098 1.00 0.00 C ATOM 117 CD GLU A 9 -15.275 6.849 2.185 1.00 0.00 C ATOM 118 OE1 GLU A 9 -14.915 6.168 3.169 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.430 7.304 2.053 1.00 0.00 O ATOM 0 H GLU A 9 -12.791 6.690 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.090 9.000 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.470 6.283 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.874 7.855 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.535 8.056 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.286 6.336 0.359 1.00 0.00 H new ATOM 126 N ALA A 10 -9.908 6.551 0.889 1.00 0.00 N ATOM 127 CA ALA A 10 -8.543 6.213 1.266 1.00 0.00 C ATOM 128 C ALA A 10 -7.576 7.347 0.936 1.00 0.00 C ATOM 129 O ALA A 10 -6.885 7.864 1.813 1.00 0.00 O ATOM 130 CB ALA A 10 -8.127 4.941 0.552 1.00 0.00 C ATOM 0 H ALA A 10 -10.409 5.796 0.420 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.509 6.057 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.105 4.684 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.796 4.129 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.181 5.095 -0.526 1.00 0.00 H new ATOM 136 N ARG A 11 -7.540 7.731 -0.337 1.00 0.00 N ATOM 137 CA ARG A 11 -6.664 8.808 -0.787 1.00 0.00 C ATOM 138 C ARG A 11 -6.890 10.071 0.039 1.00 0.00 C ATOM 139 O ARG A 11 -5.996 10.908 0.171 1.00 0.00 O ATOM 140 CB ARG A 11 -6.906 9.104 -2.268 1.00 0.00 C ATOM 141 CG ARG A 11 -5.669 9.605 -2.997 1.00 0.00 C ATOM 142 CD ARG A 11 -5.865 9.601 -4.505 1.00 0.00 C ATOM 143 NE ARG A 11 -5.878 10.952 -5.059 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.669 11.229 -6.344 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.433 10.251 -7.211 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.696 12.486 -6.765 1.00 0.00 N ATOM 0 H ARG A 11 -8.107 7.313 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.632 8.485 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.264 8.198 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.697 9.849 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.434 10.616 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.816 8.978 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.066 9.025 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.803 9.101 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.058 11.729 -4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.411 9.282 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.274 10.469 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.877 13.241 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.536 12.698 -7.750 1.00 0.00 H new ATOM 160 N ALA A 12 -8.090 10.199 0.596 1.00 0.00 N ATOM 161 CA ALA A 12 -8.437 11.354 1.412 1.00 0.00 C ATOM 162 C ALA A 12 -8.219 11.069 2.897 1.00 0.00 C ATOM 163 O ALA A 12 -8.107 11.993 3.702 1.00 0.00 O ATOM 164 CB ALA A 12 -9.882 11.759 1.160 1.00 0.00 C ATOM 0 H ALA A 12 -8.839 9.514 0.496 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.781 12.177 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.130 12.624 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.010 12.014 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.542 10.930 1.416 1.00 0.00 H new ATOM 170 N PHE A 13 -8.162 9.788 3.255 1.00 0.00 N ATOM 171 CA PHE A 13 -7.959 9.396 4.646 1.00 0.00 C ATOM 172 C PHE A 13 -6.545 9.734 5.117 1.00 0.00 C ATOM 173 O PHE A 13 -6.259 9.698 6.314 1.00 0.00 O ATOM 174 CB PHE A 13 -8.227 7.900 4.819 1.00 0.00 C ATOM 175 CG PHE A 13 -9.491 7.603 5.576 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.570 7.845 6.938 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.599 7.084 4.925 1.00 0.00 C ATOM 178 CE1 PHE A 13 -10.731 7.575 7.637 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.762 6.811 5.619 1.00 0.00 C ATOM 180 CZ PHE A 13 -11.828 7.057 6.977 1.00 0.00 C ATOM 0 H PHE A 13 -8.253 9.008 2.604 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.663 9.959 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.283 7.433 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.385 7.446 5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.715 8.249 7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.553 6.891 3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.780 7.769 8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.618 6.406 5.101 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.736 6.845 7.522 1.00 0.00 H new ATOM 190 N LEU A 14 -5.663 10.060 4.175 1.00 0.00 N ATOM 191 CA LEU A 14 -4.285 10.400 4.507 1.00 0.00 C ATOM 192 C LEU A 14 -3.894 11.747 3.910 1.00 0.00 C ATOM 193 O LEU A 14 -4.603 12.293 3.064 1.00 0.00 O ATOM 194 CB LEU A 14 -3.335 9.312 4.000 1.00 0.00 C ATOM 195 CG LEU A 14 -3.832 7.878 4.195 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.839 7.126 2.873 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.973 7.150 5.219 1.00 0.00 C ATOM 0 H LEU A 14 -5.879 10.095 3.179 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.207 10.469 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.152 9.476 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.377 9.421 4.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.855 7.919 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.196 6.109 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.498 7.634 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.828 7.096 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.341 6.132 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.940 7.122 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.022 7.674 6.174 1.00 0.00 H new ATOM 209 N SER A 15 -2.759 12.276 4.354 1.00 0.00 N ATOM 210 CA SER A 15 -2.267 13.557 3.864 1.00 0.00 C ATOM 211 C SER A 15 -1.481 13.373 2.572 1.00 0.00 C ATOM 212 O SER A 15 -1.017 12.273 2.273 1.00 0.00 O ATOM 213 CB SER A 15 -1.375 14.223 4.917 1.00 0.00 C ATOM 214 OG SER A 15 -1.682 13.748 6.216 1.00 0.00 O ATOM 0 H SER A 15 -2.162 11.836 5.054 1.00 0.00 H new ATOM 0 HA SER A 15 -3.127 14.196 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.328 14.023 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.508 15.304 4.880 1.00 0.00 H new ATOM 0 HG SER A 15 -1.099 14.186 6.871 1.00 0.00 H new ATOM 220 N GLU A 16 -1.320 14.455 1.816 1.00 0.00 N ATOM 221 CA GLU A 16 -0.570 14.400 0.565 1.00 0.00 C ATOM 222 C GLU A 16 0.778 13.721 0.788 1.00 0.00 C ATOM 223 O GLU A 16 1.338 13.104 -0.117 1.00 0.00 O ATOM 224 CB GLU A 16 -0.360 15.810 0.005 1.00 0.00 C ATOM 225 CG GLU A 16 -1.559 16.342 -0.765 1.00 0.00 C ATOM 226 CD GLU A 16 -2.747 16.628 0.132 1.00 0.00 C ATOM 227 OE1 GLU A 16 -2.836 17.758 0.659 1.00 0.00 O ATOM 228 OE2 GLU A 16 -3.589 15.723 0.308 1.00 0.00 O ATOM 0 H GLU A 16 -1.696 15.375 2.045 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.144 13.819 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.136 16.489 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.510 15.806 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.275 17.255 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.849 15.617 -1.525 1.00 0.00 H new ATOM 235 N GLU A 17 1.281 13.834 2.015 1.00 0.00 N ATOM 236 CA GLU A 17 2.550 13.230 2.389 1.00 0.00 C ATOM 237 C GLU A 17 2.484 11.713 2.249 1.00 0.00 C ATOM 238 O GLU A 17 3.317 11.102 1.578 1.00 0.00 O ATOM 239 CB GLU A 17 2.897 13.605 3.831 1.00 0.00 C ATOM 240 CG GLU A 17 3.783 14.836 3.943 1.00 0.00 C ATOM 241 CD GLU A 17 2.996 16.094 4.256 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.195 16.070 5.214 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.181 17.102 3.542 1.00 0.00 O ATOM 0 H GLU A 17 0.822 14.343 2.770 1.00 0.00 H new ATOM 0 HA GLU A 17 3.325 13.606 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.974 13.780 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.399 12.762 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.527 14.674 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.326 14.975 3.008 1.00 0.00 H new ATOM 250 N MET A 18 1.486 11.111 2.888 1.00 0.00 N ATOM 251 CA MET A 18 1.303 9.665 2.841 1.00 0.00 C ATOM 252 C MET A 18 0.985 9.197 1.421 1.00 0.00 C ATOM 253 O MET A 18 1.192 8.032 1.083 1.00 0.00 O ATOM 254 CB MET A 18 0.182 9.244 3.795 1.00 0.00 C ATOM 255 CG MET A 18 0.473 7.956 4.550 1.00 0.00 C ATOM 256 SD MET A 18 1.391 8.236 6.078 1.00 0.00 S ATOM 257 CE MET A 18 1.024 6.732 6.979 1.00 0.00 C ATOM 0 H MET A 18 0.789 11.604 3.446 1.00 0.00 H new ATOM 0 HA MET A 18 2.235 9.195 3.154 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.009 10.045 4.514 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.740 9.121 3.226 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.467 7.456 4.782 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.042 7.284 3.907 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.771 6.584 7.759 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.036 6.812 7.433 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.041 5.884 6.294 1.00 0.00 H new ATOM 267 N ILE A 19 0.484 10.111 0.594 1.00 0.00 N ATOM 268 CA ILE A 19 0.142 9.786 -0.787 1.00 0.00 C ATOM 269 C ILE A 19 1.394 9.740 -1.656 1.00 0.00 C ATOM 270 O ILE A 19 1.755 8.691 -2.190 1.00 0.00 O ATOM 271 CB ILE A 19 -0.855 10.812 -1.373 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.244 10.604 -0.768 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.914 10.707 -2.893 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.241 11.672 -1.166 1.00 0.00 C ATOM 0 H ILE A 19 0.306 11.081 0.856 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.329 8.803 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.507 11.813 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.624 9.630 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.159 10.584 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.622 11.439 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.074 10.902 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.236 9.705 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.204 11.462 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.883 12.646 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.355 11.678 -2.250 1.00 0.00 H new ATOM 286 N ALA A 20 2.052 10.886 -1.791 1.00 0.00 N ATOM 287 CA ALA A 20 3.265 10.989 -2.593 1.00 0.00 C ATOM 288 C ALA A 20 4.257 9.885 -2.237 1.00 0.00 C ATOM 289 O ALA A 20 5.065 9.470 -3.067 1.00 0.00 O ATOM 290 CB ALA A 20 3.895 12.357 -2.403 1.00 0.00 C ATOM 0 H ALA A 20 1.764 11.761 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 20 2.996 10.865 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.801 12.427 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.191 13.128 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.146 12.499 -1.352 1.00 0.00 H new ATOM 296 N GLU A 21 4.183 9.410 -0.997 1.00 0.00 N ATOM 297 CA GLU A 21 5.063 8.351 -0.530 1.00 0.00 C ATOM 298 C GLU A 21 4.457 6.985 -0.832 1.00 0.00 C ATOM 299 O GLU A 21 5.174 6.020 -1.100 1.00 0.00 O ATOM 300 CB GLU A 21 5.317 8.496 0.971 1.00 0.00 C ATOM 301 CG GLU A 21 5.825 9.872 1.369 1.00 0.00 C ATOM 302 CD GLU A 21 7.322 10.018 1.179 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.835 9.559 0.137 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.980 10.592 2.071 1.00 0.00 O ATOM 0 H GLU A 21 3.520 9.745 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 21 6.014 8.434 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.392 8.289 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.043 7.745 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.312 10.630 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.575 10.060 2.413 1.00 0.00 H new ATOM 311 N PHE A 22 3.128 6.915 -0.799 1.00 0.00 N ATOM 312 CA PHE A 22 2.422 5.672 -1.082 1.00 0.00 C ATOM 313 C PHE A 22 2.734 5.198 -2.496 1.00 0.00 C ATOM 314 O PHE A 22 2.826 3.999 -2.757 1.00 0.00 O ATOM 315 CB PHE A 22 0.912 5.867 -0.915 1.00 0.00 C ATOM 316 CG PHE A 22 0.353 5.212 0.316 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.699 3.912 0.641 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.516 5.900 1.148 1.00 0.00 C ATOM 319 CE1 PHE A 22 0.189 3.306 1.773 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.030 5.299 2.282 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.677 4.002 2.595 1.00 0.00 C ATOM 0 H PHE A 22 2.521 7.705 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 22 2.758 4.914 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.694 6.934 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.403 5.467 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.376 3.365 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.794 6.916 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.466 2.291 2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.707 5.844 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.077 3.532 3.481 1.00 0.00 H new ATOM 331 N LYS A 23 2.902 6.154 -3.402 1.00 0.00 N ATOM 332 CA LYS A 23 3.214 5.849 -4.792 1.00 0.00 C ATOM 333 C LYS A 23 4.694 5.508 -4.962 1.00 0.00 C ATOM 334 O LYS A 23 5.111 5.025 -6.015 1.00 0.00 O ATOM 335 CB LYS A 23 2.844 7.033 -5.686 1.00 0.00 C ATOM 336 CG LYS A 23 3.031 6.753 -7.166 1.00 0.00 C ATOM 337 CD LYS A 23 4.363 7.285 -7.667 1.00 0.00 C ATOM 338 CE LYS A 23 4.731 6.684 -9.015 1.00 0.00 C ATOM 339 NZ LYS A 23 6.205 6.630 -9.216 1.00 0.00 N ATOM 0 H LYS A 23 2.827 7.150 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 23 2.628 4.979 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.804 7.305 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.452 7.893 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.976 5.679 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.219 7.212 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.314 8.371 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.143 7.058 -6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.318 5.678 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.278 7.274 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.469 5.701 -9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.492 7.376 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.685 6.776 -8.305 1.00 0.00 H new ATOM 353 N ALA A 24 5.482 5.769 -3.919 1.00 0.00 N ATOM 354 CA ALA A 24 6.920 5.501 -3.942 1.00 0.00 C ATOM 355 C ALA A 24 7.247 4.156 -4.587 1.00 0.00 C ATOM 356 O ALA A 24 7.731 4.100 -5.717 1.00 0.00 O ATOM 357 CB ALA A 24 7.481 5.545 -2.528 1.00 0.00 C ATOM 0 H ALA A 24 5.146 6.168 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 24 7.385 6.278 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.552 5.344 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.307 6.532 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.986 4.791 -1.917 1.00 0.00 H new ATOM 363 N ALA A 25 6.994 3.078 -3.853 1.00 0.00 N ATOM 364 CA ALA A 25 7.275 1.732 -4.341 1.00 0.00 C ATOM 365 C ALA A 25 6.322 1.310 -5.458 1.00 0.00 C ATOM 366 O ALA A 25 6.498 0.249 -6.056 1.00 0.00 O ATOM 367 CB ALA A 25 7.210 0.739 -3.191 1.00 0.00 C ATOM 0 H ALA A 25 6.594 3.110 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 25 8.280 1.740 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.421 -0.263 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.948 1.008 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.214 0.760 -2.748 1.00 0.00 H new ATOM 373 N PHE A 26 5.311 2.133 -5.736 1.00 0.00 N ATOM 374 CA PHE A 26 4.333 1.828 -6.782 1.00 0.00 C ATOM 375 C PHE A 26 5.005 1.296 -8.046 1.00 0.00 C ATOM 376 O PHE A 26 4.422 0.499 -8.781 1.00 0.00 O ATOM 377 CB PHE A 26 3.513 3.074 -7.118 1.00 0.00 C ATOM 378 CG PHE A 26 2.345 2.798 -8.022 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.327 1.949 -7.619 1.00 0.00 C ATOM 380 CD2 PHE A 26 2.265 3.387 -9.274 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.251 1.692 -8.449 1.00 0.00 C ATOM 382 CE2 PHE A 26 1.192 3.135 -10.107 1.00 0.00 C ATOM 383 CZ PHE A 26 0.184 2.286 -9.694 1.00 0.00 C ATOM 0 H PHE A 26 5.147 3.016 -5.252 1.00 0.00 H new ATOM 0 HA PHE A 26 3.674 1.050 -6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.148 3.520 -6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.163 3.810 -7.592 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.374 1.483 -6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.051 4.051 -9.602 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.536 1.028 -8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.142 3.601 -11.080 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.655 2.087 -10.344 1.00 0.00 H new ATOM 393 N ASP A 27 6.233 1.741 -8.294 1.00 0.00 N ATOM 394 CA ASP A 27 6.977 1.306 -9.472 1.00 0.00 C ATOM 395 C ASP A 27 7.655 -0.038 -9.226 1.00 0.00 C ATOM 396 O ASP A 27 7.377 -1.020 -9.916 1.00 0.00 O ATOM 397 CB ASP A 27 8.024 2.356 -9.854 1.00 0.00 C ATOM 398 CG ASP A 27 7.498 3.354 -10.867 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.672 4.209 -10.484 1.00 0.00 O ATOM 400 OD2 ASP A 27 7.911 3.280 -12.044 1.00 0.00 O ATOM 0 H ASP A 27 6.733 2.400 -7.698 1.00 0.00 H new ATOM 0 HA ASP A 27 6.270 1.189 -10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.346 2.887 -8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.903 1.857 -10.262 1.00 0.00 H new ATOM 405 N MET A 28 8.546 -0.077 -8.240 1.00 0.00 N ATOM 406 CA MET A 28 9.263 -1.302 -7.905 1.00 0.00 C ATOM 407 C MET A 28 8.295 -2.429 -7.559 1.00 0.00 C ATOM 408 O MET A 28 8.602 -3.606 -7.748 1.00 0.00 O ATOM 409 CB MET A 28 10.214 -1.055 -6.732 1.00 0.00 C ATOM 410 CG MET A 28 11.203 0.074 -6.976 1.00 0.00 C ATOM 411 SD MET A 28 12.685 -0.478 -7.841 1.00 0.00 S ATOM 412 CE MET A 28 13.931 -0.208 -6.583 1.00 0.00 C ATOM 0 H MET A 28 8.789 0.726 -7.659 1.00 0.00 H new ATOM 0 HA MET A 28 9.841 -1.603 -8.779 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.628 -0.827 -5.842 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.766 -1.971 -6.524 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.718 0.858 -7.558 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.487 0.516 -6.021 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.919 -0.209 -7.043 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.757 0.753 -6.099 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.876 -1.003 -5.840 1.00 0.00 H new ATOM 422 N PHE A 29 7.124 -2.062 -7.048 1.00 0.00 N ATOM 423 CA PHE A 29 6.109 -3.041 -6.674 1.00 0.00 C ATOM 424 C PHE A 29 5.715 -3.905 -7.868 1.00 0.00 C ATOM 425 O PHE A 29 6.103 -5.070 -7.959 1.00 0.00 O ATOM 426 CB PHE A 29 4.873 -2.333 -6.114 1.00 0.00 C ATOM 427 CG PHE A 29 4.714 -2.491 -4.631 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.310 -3.699 -4.092 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.965 -1.431 -3.775 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.160 -3.850 -2.729 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.818 -1.575 -2.410 1.00 0.00 C ATOM 432 CZ PHE A 29 4.415 -2.787 -1.886 1.00 0.00 C ATOM 0 H PHE A 29 6.854 -1.092 -6.883 1.00 0.00 H new ATOM 0 HA PHE A 29 6.531 -3.689 -5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.932 -1.271 -6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.984 -2.723 -6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.109 -4.534 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.279 -0.481 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.843 -4.799 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.018 -0.741 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.299 -2.903 -0.819 1.00 0.00 H new ATOM 442 N ASP A 30 4.941 -3.324 -8.780 1.00 0.00 N ATOM 443 CA ASP A 30 4.488 -4.037 -9.967 1.00 0.00 C ATOM 444 C ASP A 30 5.664 -4.615 -10.746 1.00 0.00 C ATOM 445 O ASP A 30 6.535 -3.881 -11.215 1.00 0.00 O ATOM 446 CB ASP A 30 3.676 -3.106 -10.868 1.00 0.00 C ATOM 447 CG ASP A 30 2.296 -2.821 -10.309 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.496 -3.772 -10.191 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.017 -1.646 -9.989 1.00 0.00 O ATOM 0 H ASP A 30 4.615 -2.360 -8.718 1.00 0.00 H new ATOM 0 HA ASP A 30 3.855 -4.862 -9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.215 -2.167 -10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.579 -3.555 -11.857 1.00 0.00 H new ATOM 454 N ALA A 31 5.678 -5.933 -10.879 1.00 0.00 N ATOM 455 CA ALA A 31 6.741 -6.621 -11.603 1.00 0.00 C ATOM 456 C ALA A 31 6.383 -6.775 -13.076 1.00 0.00 C ATOM 457 O ALA A 31 7.175 -6.442 -13.957 1.00 0.00 O ATOM 458 CB ALA A 31 7.006 -7.981 -10.979 1.00 0.00 C ATOM 0 H ALA A 31 4.963 -6.551 -10.494 1.00 0.00 H new ATOM 0 HA ALA A 31 7.647 -6.019 -11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.801 -8.485 -11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.308 -7.852 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.099 -8.583 -11.021 1.00 0.00 H new ATOM 464 N ASP A 32 5.181 -7.279 -13.333 1.00 0.00 N ATOM 465 CA ASP A 32 4.709 -7.477 -14.698 1.00 0.00 C ATOM 466 C ASP A 32 4.125 -6.186 -15.261 1.00 0.00 C ATOM 467 O ASP A 32 4.099 -5.982 -16.475 1.00 0.00 O ATOM 468 CB ASP A 32 3.658 -8.587 -14.739 1.00 0.00 C ATOM 469 CG ASP A 32 2.486 -8.309 -13.817 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.716 -7.775 -12.711 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.341 -8.623 -14.203 1.00 0.00 O ATOM 0 H ASP A 32 4.515 -7.558 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 32 5.560 -7.769 -15.314 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.294 -8.701 -15.760 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.121 -9.533 -14.458 1.00 0.00 H new ATOM 497 N ASP A 36 -1.474 -5.878 -10.302 1.00 0.00 N ATOM 498 CA ASP A 36 -1.632 -5.338 -8.956 1.00 0.00 C ATOM 499 C ASP A 36 -0.551 -5.870 -8.020 1.00 0.00 C ATOM 500 O ASP A 36 0.349 -6.595 -8.443 1.00 0.00 O ATOM 501 CB ASP A 36 -3.016 -5.683 -8.404 1.00 0.00 C ATOM 502 CG ASP A 36 -4.090 -4.732 -8.897 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.734 -3.657 -9.424 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.286 -5.062 -8.754 1.00 0.00 O ATOM 0 HA ASP A 36 -1.531 -4.254 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.276 -6.701 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.986 -5.659 -7.315 1.00 0.00 H new ATOM 509 N ILE A 37 -0.646 -5.500 -6.747 1.00 0.00 N ATOM 510 CA ILE A 37 0.322 -5.934 -5.750 1.00 0.00 C ATOM 511 C ILE A 37 -0.201 -7.128 -4.953 1.00 0.00 C ATOM 512 O ILE A 37 -1.194 -7.022 -4.234 1.00 0.00 O ATOM 513 CB ILE A 37 0.671 -4.782 -4.785 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.394 -3.666 -5.537 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.521 -5.279 -3.623 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.663 -2.445 -4.688 1.00 0.00 C ATOM 0 H ILE A 37 -1.386 -4.899 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 37 1.223 -6.238 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.259 -4.387 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.340 -4.049 -5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.797 -3.374 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.752 -4.446 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.972 -6.042 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.448 -5.705 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.179 -1.693 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.719 -2.037 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.286 -2.723 -3.838 1.00 0.00 H new ATOM 528 N SER A 38 0.482 -8.260 -5.085 1.00 0.00 N ATOM 529 CA SER A 38 0.098 -9.476 -4.378 1.00 0.00 C ATOM 530 C SER A 38 0.928 -9.646 -3.107 1.00 0.00 C ATOM 531 O SER A 38 1.556 -8.698 -2.635 1.00 0.00 O ATOM 532 CB SER A 38 0.270 -10.694 -5.288 1.00 0.00 C ATOM 533 OG SER A 38 -0.258 -11.862 -4.683 1.00 0.00 O ATOM 0 H SER A 38 1.307 -8.361 -5.677 1.00 0.00 H new ATOM 0 HA SER A 38 -0.951 -9.392 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.232 -10.515 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.327 -10.841 -5.508 1.00 0.00 H new ATOM 0 HG SER A 38 -0.763 -12.375 -5.348 1.00 0.00 H new ATOM 539 N THR A 39 0.927 -10.857 -2.557 1.00 0.00 N ATOM 540 CA THR A 39 1.680 -11.146 -1.341 1.00 0.00 C ATOM 541 C THR A 39 3.183 -11.064 -1.589 1.00 0.00 C ATOM 542 O THR A 39 3.936 -10.584 -0.741 1.00 0.00 O ATOM 543 CB THR A 39 1.318 -12.536 -0.812 1.00 0.00 C ATOM 544 OG1 THR A 39 1.395 -13.501 -1.844 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.073 -12.608 -0.219 1.00 0.00 C ATOM 0 H THR A 39 0.413 -11.653 -2.934 1.00 0.00 H new ATOM 0 HA THR A 39 1.414 -10.395 -0.597 1.00 0.00 H new ATOM 0 HB THR A 39 2.042 -12.742 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.162 -14.383 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.265 -13.620 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.150 -11.910 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.807 -12.346 -0.981 1.00 0.00 H new ATOM 553 N LYS A 40 3.615 -11.539 -2.752 1.00 0.00 N ATOM 554 CA LYS A 40 5.030 -11.524 -3.106 1.00 0.00 C ATOM 555 C LYS A 40 5.497 -10.115 -3.461 1.00 0.00 C ATOM 556 O LYS A 40 6.616 -9.721 -3.130 1.00 0.00 O ATOM 557 CB LYS A 40 5.291 -12.470 -4.280 1.00 0.00 C ATOM 558 CG LYS A 40 4.473 -12.141 -5.519 1.00 0.00 C ATOM 559 CD LYS A 40 3.966 -13.401 -6.206 1.00 0.00 C ATOM 560 CE LYS A 40 2.503 -13.273 -6.597 1.00 0.00 C ATOM 561 NZ LYS A 40 1.605 -13.939 -5.615 1.00 0.00 N ATOM 0 H LYS A 40 3.006 -11.939 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 40 5.596 -11.862 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.350 -12.436 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.070 -13.491 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.627 -11.512 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.082 -11.566 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.565 -13.598 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.092 -14.255 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.239 -12.218 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.351 -13.712 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.098 -14.718 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.170 -14.316 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.918 -13.249 -5.249 1.00 0.00 H new ATOM 575 N GLU A 41 4.637 -9.364 -4.140 1.00 0.00 N ATOM 576 CA GLU A 41 4.966 -8.000 -4.544 1.00 0.00 C ATOM 577 C GLU A 41 5.291 -7.125 -3.335 1.00 0.00 C ATOM 578 O GLU A 41 5.967 -6.104 -3.465 1.00 0.00 O ATOM 579 CB GLU A 41 3.810 -7.390 -5.336 1.00 0.00 C ATOM 580 CG GLU A 41 3.718 -7.900 -6.766 1.00 0.00 C ATOM 581 CD GLU A 41 3.721 -6.780 -7.789 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.975 -5.796 -7.595 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.468 -6.888 -8.784 1.00 0.00 O ATOM 0 H GLU A 41 3.708 -9.675 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 41 5.852 -8.044 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.874 -7.605 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.923 -6.306 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.556 -8.569 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.807 -8.488 -6.880 1.00 0.00 H new ATOM 590 N LEU A 42 4.806 -7.523 -2.163 1.00 0.00 N ATOM 591 CA LEU A 42 5.049 -6.762 -0.942 1.00 0.00 C ATOM 592 C LEU A 42 6.432 -7.064 -0.375 1.00 0.00 C ATOM 593 O LEU A 42 7.270 -6.171 -0.251 1.00 0.00 O ATOM 594 CB LEU A 42 3.974 -7.068 0.104 1.00 0.00 C ATOM 595 CG LEU A 42 3.054 -5.895 0.453 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.868 -4.678 0.874 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.149 -5.558 -0.722 1.00 0.00 C ATOM 0 H LEU A 42 4.245 -8.365 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 42 5.005 -5.702 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.362 -7.894 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.463 -7.409 1.016 1.00 0.00 H new ATOM 0 HG LEU A 42 2.427 -6.190 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.194 -3.856 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.468 -4.927 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.525 -4.379 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.502 -4.722 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.758 -5.285 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.537 -6.425 -0.970 1.00 0.00 H new ATOM 609 N GLY A 43 6.665 -8.327 -0.030 1.00 0.00 N ATOM 610 CA GLY A 43 7.950 -8.724 0.523 1.00 0.00 C ATOM 611 C GLY A 43 9.120 -8.180 -0.273 1.00 0.00 C ATOM 612 O GLY A 43 10.194 -7.940 0.275 1.00 0.00 O ATOM 0 H GLY A 43 5.987 -9.084 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.022 -8.374 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.009 -9.812 0.551 1.00 0.00 H new ATOM 616 N THR A 44 8.910 -7.983 -1.569 1.00 0.00 N ATOM 617 CA THR A 44 9.953 -7.463 -2.446 1.00 0.00 C ATOM 618 C THR A 44 10.451 -6.103 -1.959 1.00 0.00 C ATOM 619 O THR A 44 11.521 -5.996 -1.359 1.00 0.00 O ATOM 620 CB THR A 44 9.421 -7.357 -3.884 1.00 0.00 C ATOM 621 OG1 THR A 44 9.591 -8.583 -4.571 1.00 0.00 O ATOM 622 CG2 THR A 44 10.086 -6.273 -4.713 1.00 0.00 C ATOM 0 H THR A 44 8.025 -8.176 -2.037 1.00 0.00 H new ATOM 0 HA THR A 44 10.796 -8.154 -2.428 1.00 0.00 H new ATOM 0 HB THR A 44 8.368 -7.100 -3.772 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.245 -8.497 -5.484 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.654 -6.264 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.926 -5.304 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.156 -6.472 -4.781 1.00 0.00 H new ATOM 630 N VAL A 45 9.669 -5.069 -2.238 1.00 0.00 N ATOM 631 CA VAL A 45 10.013 -3.707 -1.854 1.00 0.00 C ATOM 632 C VAL A 45 10.120 -3.552 -0.340 1.00 0.00 C ATOM 633 O VAL A 45 10.835 -2.682 0.154 1.00 0.00 O ATOM 634 CB VAL A 45 8.963 -2.716 -2.388 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.580 -3.085 -1.869 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.328 -1.284 -2.015 1.00 0.00 C ATOM 0 H VAL A 45 8.782 -5.150 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 45 10.987 -3.489 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 45 8.948 -2.778 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.846 -2.377 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.323 -4.091 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.580 -3.052 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.571 -0.603 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.377 -1.192 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.298 -1.032 -2.444 1.00 0.00 H new ATOM 646 N MET A 46 9.396 -4.389 0.392 1.00 0.00 N ATOM 647 CA MET A 46 9.402 -4.327 1.846 1.00 0.00 C ATOM 648 C MET A 46 10.682 -4.923 2.428 1.00 0.00 C ATOM 649 O MET A 46 11.161 -4.478 3.471 1.00 0.00 O ATOM 650 CB MET A 46 8.176 -5.048 2.405 1.00 0.00 C ATOM 651 CG MET A 46 6.906 -4.215 2.338 1.00 0.00 C ATOM 652 SD MET A 46 6.115 -4.004 3.945 1.00 0.00 S ATOM 653 CE MET A 46 6.671 -2.360 4.389 1.00 0.00 C ATOM 0 H MET A 46 8.798 -5.118 0.002 1.00 0.00 H new ATOM 0 HA MET A 46 9.365 -3.278 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.024 -5.975 1.851 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.367 -5.324 3.442 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.143 -3.235 1.924 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.203 -4.689 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.414 -2.157 5.429 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.752 -2.295 4.263 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.186 -1.626 3.746 1.00 0.00 H new ATOM 663 N ARG A 47 11.233 -5.929 1.755 1.00 0.00 N ATOM 664 CA ARG A 47 12.455 -6.578 2.222 1.00 0.00 C ATOM 665 C ARG A 47 13.698 -5.837 1.737 1.00 0.00 C ATOM 666 O ARG A 47 14.743 -5.873 2.386 1.00 0.00 O ATOM 667 CB ARG A 47 12.505 -8.032 1.749 1.00 0.00 C ATOM 668 CG ARG A 47 11.499 -8.934 2.445 1.00 0.00 C ATOM 669 CD ARG A 47 11.393 -10.285 1.758 1.00 0.00 C ATOM 670 NE ARG A 47 10.400 -11.147 2.398 1.00 0.00 N ATOM 671 CZ ARG A 47 10.357 -12.468 2.246 1.00 0.00 C ATOM 672 NH1 ARG A 47 11.246 -13.084 1.475 1.00 0.00 N ATOM 673 NH2 ARG A 47 9.422 -13.176 2.864 1.00 0.00 N ATOM 0 H ARG A 47 10.855 -6.312 0.888 1.00 0.00 H new ATOM 0 HA ARG A 47 12.443 -6.554 3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.325 -8.062 0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.508 -8.425 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.794 -9.076 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.522 -8.452 2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.127 -10.140 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.365 -10.778 1.774 1.00 0.00 H new ATOM 0 HE ARG A 47 9.699 -10.710 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.967 -12.544 0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.208 -14.097 1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.736 -12.708 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.389 -14.189 2.748 1.00 0.00 H new ATOM 687 N MET A 48 13.585 -5.171 0.593 1.00 0.00 N ATOM 688 CA MET A 48 14.709 -4.431 0.029 1.00 0.00 C ATOM 689 C MET A 48 14.712 -2.976 0.495 1.00 0.00 C ATOM 690 O MET A 48 15.473 -2.156 -0.019 1.00 0.00 O ATOM 691 CB MET A 48 14.671 -4.488 -1.499 1.00 0.00 C ATOM 692 CG MET A 48 13.446 -3.823 -2.104 1.00 0.00 C ATOM 693 SD MET A 48 13.861 -2.661 -3.418 1.00 0.00 S ATOM 694 CE MET A 48 12.494 -1.512 -3.292 1.00 0.00 C ATOM 0 H MET A 48 12.730 -5.128 0.039 1.00 0.00 H new ATOM 0 HA MET A 48 15.625 -4.902 0.384 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.566 -4.008 -1.894 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.702 -5.530 -1.816 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.780 -4.590 -2.500 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.898 -3.299 -1.321 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.606 -0.730 -4.043 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.556 -2.042 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.486 -1.063 -2.299 1.00 0.00 H new ATOM 704 N LEU A 49 13.864 -2.657 1.470 1.00 0.00 N ATOM 705 CA LEU A 49 13.783 -1.299 1.993 1.00 0.00 C ATOM 706 C LEU A 49 14.105 -1.268 3.483 1.00 0.00 C ATOM 707 O LEU A 49 14.792 -0.363 3.961 1.00 0.00 O ATOM 708 CB LEU A 49 12.390 -0.715 1.748 1.00 0.00 C ATOM 709 CG LEU A 49 12.155 -0.172 0.337 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.791 0.494 0.244 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.255 0.805 -0.052 1.00 0.00 C ATOM 0 H LEU A 49 13.226 -3.319 1.911 1.00 0.00 H new ATOM 0 HA LEU A 49 14.520 -0.692 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.648 -1.487 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.219 0.089 2.464 1.00 0.00 H new ATOM 0 HG LEU A 49 12.179 -1.008 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.640 0.875 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.014 -0.234 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.740 1.319 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.070 1.180 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.266 1.639 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.219 0.297 -0.026 1.00 0.00 H new ATOM 723 N GLY A 50 13.608 -2.260 4.216 1.00 0.00 N ATOM 724 CA GLY A 50 13.857 -2.322 5.644 1.00 0.00 C ATOM 725 C GLY A 50 12.886 -3.234 6.367 1.00 0.00 C ATOM 726 O GLY A 50 13.257 -3.908 7.329 1.00 0.00 O ATOM 0 H GLY A 50 13.038 -3.021 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.875 -2.672 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.789 -1.319 6.065 1.00 0.00 H new ATOM 730 N GLN A 51 11.639 -3.255 5.907 1.00 0.00 N ATOM 731 CA GLN A 51 10.612 -4.090 6.519 1.00 0.00 C ATOM 732 C GLN A 51 10.904 -5.570 6.287 1.00 0.00 C ATOM 733 O GLN A 51 11.635 -5.932 5.365 1.00 0.00 O ATOM 734 CB GLN A 51 9.235 -3.734 5.957 1.00 0.00 C ATOM 735 CG GLN A 51 8.155 -3.624 7.021 1.00 0.00 C ATOM 736 CD GLN A 51 7.993 -2.210 7.543 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.324 -1.241 6.859 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.481 -2.084 8.762 1.00 0.00 N ATOM 0 H GLN A 51 11.316 -2.703 5.112 1.00 0.00 H new ATOM 0 HA GLN A 51 10.618 -3.902 7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.304 -2.787 5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.942 -4.491 5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.206 -3.965 6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.398 -4.288 7.850 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.220 -2.914 9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.348 -1.157 9.166 1.00 0.00 H new ATOM 747 N ASN A 52 10.333 -6.422 7.130 1.00 0.00 N ATOM 748 CA ASN A 52 10.537 -7.861 7.011 1.00 0.00 C ATOM 749 C ASN A 52 9.270 -8.633 7.382 1.00 0.00 C ATOM 750 O ASN A 52 9.314 -9.561 8.190 1.00 0.00 O ATOM 751 CB ASN A 52 11.697 -8.303 7.902 1.00 0.00 C ATOM 752 CG ASN A 52 12.560 -9.361 7.242 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.297 -10.557 7.363 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.599 -8.924 6.540 1.00 0.00 N ATOM 0 H ASN A 52 9.727 -6.143 7.901 1.00 0.00 H new ATOM 0 HA ASN A 52 10.777 -8.082 5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.312 -7.438 8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.303 -8.693 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.216 -9.589 6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.780 -7.923 6.466 1.00 0.00 H new ATOM 761 N PRO A 53 8.122 -8.261 6.794 1.00 0.00 N ATOM 762 CA PRO A 53 6.846 -8.927 7.068 1.00 0.00 C ATOM 763 C PRO A 53 6.775 -10.318 6.447 1.00 0.00 C ATOM 764 O PRO A 53 6.762 -10.463 5.225 1.00 0.00 O ATOM 765 CB PRO A 53 5.818 -8.000 6.420 1.00 0.00 C ATOM 766 CG PRO A 53 6.562 -7.321 5.324 1.00 0.00 C ATOM 767 CD PRO A 53 7.976 -7.165 5.817 1.00 0.00 C ATOM 0 HA PRO A 53 6.687 -9.083 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.967 -8.561 6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.426 -7.280 7.138 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.531 -7.911 4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.120 -6.352 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.697 -7.253 5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.135 -6.191 6.280 1.00 0.00 H new ATOM 775 N THR A 54 6.728 -11.339 7.297 1.00 0.00 N ATOM 776 CA THR A 54 6.659 -12.720 6.831 1.00 0.00 C ATOM 777 C THR A 54 5.448 -12.931 5.925 1.00 0.00 C ATOM 778 O THR A 54 4.785 -11.973 5.525 1.00 0.00 O ATOM 779 CB THR A 54 6.594 -13.680 8.021 1.00 0.00 C ATOM 780 OG1 THR A 54 7.076 -13.053 9.196 1.00 0.00 O ATOM 781 CG2 THR A 54 7.397 -14.946 7.812 1.00 0.00 C ATOM 0 H THR A 54 6.736 -11.236 8.312 1.00 0.00 H new ATOM 0 HA THR A 54 7.561 -12.927 6.255 1.00 0.00 H new ATOM 0 HB THR A 54 5.542 -13.949 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.025 -13.681 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.308 -15.583 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.017 -15.478 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.445 -14.690 7.653 1.00 0.00 H new ATOM 789 N LYS A 55 5.166 -14.189 5.607 1.00 0.00 N ATOM 790 CA LYS A 55 4.035 -14.526 4.749 1.00 0.00 C ATOM 791 C LYS A 55 2.714 -14.178 5.427 1.00 0.00 C ATOM 792 O LYS A 55 1.892 -13.450 4.870 1.00 0.00 O ATOM 793 CB LYS A 55 4.063 -16.014 4.394 1.00 0.00 C ATOM 794 CG LYS A 55 3.470 -16.323 3.029 1.00 0.00 C ATOM 795 CD LYS A 55 4.403 -15.899 1.907 1.00 0.00 C ATOM 796 CE LYS A 55 3.681 -15.847 0.571 1.00 0.00 C ATOM 797 NZ LYS A 55 4.609 -16.073 -0.572 1.00 0.00 N ATOM 0 H LYS A 55 5.704 -14.993 5.930 1.00 0.00 H new ATOM 0 HA LYS A 55 4.118 -13.939 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.094 -16.367 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.515 -16.571 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.269 -17.392 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.514 -15.810 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.823 -14.919 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.238 -16.597 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.894 -16.601 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.196 -14.877 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.077 -16.030 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.345 -15.339 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.053 -17.009 -0.479 1.00 0.00 H new ATOM 811 N CYS A 56 2.516 -14.703 6.633 1.00 0.00 N ATOM 812 CA CYS A 56 1.294 -14.449 7.387 1.00 0.00 C ATOM 813 C CYS A 56 1.080 -12.953 7.594 1.00 0.00 C ATOM 814 O CYS A 56 -0.054 -12.474 7.611 1.00 0.00 O ATOM 815 CB CYS A 56 1.350 -15.159 8.741 1.00 0.00 C ATOM 816 SG CYS A 56 -0.254 -15.742 9.334 1.00 0.00 S ATOM 0 H CYS A 56 3.187 -15.307 7.108 1.00 0.00 H new ATOM 0 HA CYS A 56 0.455 -14.840 6.812 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.029 -16.009 8.666 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.773 -14.478 9.479 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.104 -16.330 10.484 1.00 0.00 H new ATOM 822 N GLU A 57 2.177 -12.220 7.751 1.00 0.00 N ATOM 823 CA GLU A 57 2.111 -10.778 7.957 1.00 0.00 C ATOM 824 C GLU A 57 1.439 -10.090 6.773 1.00 0.00 C ATOM 825 O GLU A 57 0.414 -9.428 6.926 1.00 0.00 O ATOM 826 CB GLU A 57 3.513 -10.205 8.161 1.00 0.00 C ATOM 827 CG GLU A 57 4.272 -10.857 9.307 1.00 0.00 C ATOM 828 CD GLU A 57 5.094 -9.864 10.107 1.00 0.00 C ATOM 829 OE1 GLU A 57 5.124 -8.674 9.729 1.00 0.00 O ATOM 830 OE2 GLU A 57 5.710 -10.278 11.112 1.00 0.00 O ATOM 0 H GLU A 57 3.123 -12.601 7.739 1.00 0.00 H new ATOM 0 HA GLU A 57 1.516 -10.592 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.085 -10.327 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.436 -9.134 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.564 -11.353 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.930 -11.629 8.908 1.00 0.00 H new ATOM 837 N LEU A 58 2.027 -10.253 5.593 1.00 0.00 N ATOM 838 CA LEU A 58 1.487 -9.649 4.381 1.00 0.00 C ATOM 839 C LEU A 58 0.148 -10.279 4.010 1.00 0.00 C ATOM 840 O LEU A 58 -0.724 -9.620 3.442 1.00 0.00 O ATOM 841 CB LEU A 58 2.480 -9.798 3.226 1.00 0.00 C ATOM 842 CG LEU A 58 3.924 -9.411 3.560 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.897 -10.152 2.657 1.00 0.00 C ATOM 844 CD2 LEU A 58 4.116 -7.907 3.431 1.00 0.00 C ATOM 0 H LEU A 58 2.877 -10.798 5.450 1.00 0.00 H new ATOM 0 HA LEU A 58 1.325 -8.588 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.467 -10.834 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.139 -9.185 2.392 1.00 0.00 H new ATOM 0 HG LEU A 58 4.127 -9.697 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.918 -9.865 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.777 -11.226 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.694 -9.897 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.147 -7.650 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.894 -7.598 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.444 -7.394 4.119 1.00 0.00 H new ATOM 856 N ASP A 59 -0.011 -11.558 4.338 1.00 0.00 N ATOM 857 CA ASP A 59 -1.247 -12.275 4.045 1.00 0.00 C ATOM 858 C ASP A 59 -2.380 -11.792 4.939 1.00 0.00 C ATOM 859 O ASP A 59 -3.553 -11.897 4.579 1.00 0.00 O ATOM 860 CB ASP A 59 -1.046 -13.781 4.224 1.00 0.00 C ATOM 861 CG ASP A 59 -2.030 -14.597 3.408 1.00 0.00 C ATOM 862 OD1 ASP A 59 -3.155 -14.833 3.898 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.677 -14.998 2.280 1.00 0.00 O ATOM 0 H ASP A 59 0.701 -12.119 4.807 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.515 -12.074 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.029 -14.046 3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.153 -14.036 5.278 1.00 0.00 H new ATOM 868 N ALA A 60 -2.027 -11.255 6.100 1.00 0.00 N ATOM 869 CA ALA A 60 -3.025 -10.754 7.030 1.00 0.00 C ATOM 870 C ALA A 60 -3.559 -9.403 6.572 1.00 0.00 C ATOM 871 O ALA A 60 -4.733 -9.089 6.764 1.00 0.00 O ATOM 872 CB ALA A 60 -2.442 -10.652 8.432 1.00 0.00 C ATOM 0 H ALA A 60 -1.062 -11.156 6.417 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.857 -11.458 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.203 -10.275 9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.113 -11.638 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.592 -9.970 8.424 1.00 0.00 H new ATOM 878 N ILE A 61 -2.690 -8.610 5.954 1.00 0.00 N ATOM 879 CA ILE A 61 -3.075 -7.298 5.456 1.00 0.00 C ATOM 880 C ILE A 61 -3.875 -7.433 4.163 1.00 0.00 C ATOM 881 O ILE A 61 -5.033 -7.021 4.096 1.00 0.00 O ATOM 882 CB ILE A 61 -1.835 -6.401 5.221 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.367 -5.787 6.542 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.133 -5.303 4.207 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.772 -6.796 7.500 1.00 0.00 C ATOM 0 H ILE A 61 -1.714 -8.855 5.787 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.699 -6.824 6.213 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.039 -7.027 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.626 -5.016 6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.212 -5.295 7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.244 -4.690 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.421 -5.753 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.948 -4.680 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.462 -6.291 8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.518 -7.554 7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.093 -7.271 7.037 1.00 0.00 H new ATOM 897 N ILE A 62 -3.252 -8.020 3.140 1.00 0.00 N ATOM 898 CA ILE A 62 -3.905 -8.216 1.846 1.00 0.00 C ATOM 899 C ILE A 62 -5.334 -8.724 2.022 1.00 0.00 C ATOM 900 O ILE A 62 -6.273 -8.181 1.441 1.00 0.00 O ATOM 901 CB ILE A 62 -3.120 -9.207 0.964 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.745 -8.629 0.624 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.897 -9.531 -0.309 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.934 -9.502 -0.305 1.00 0.00 C ATOM 0 H ILE A 62 -2.294 -8.368 3.183 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.928 -7.245 1.352 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.983 -10.135 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.876 -7.649 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.186 -8.477 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.324 -10.232 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.856 -9.978 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.066 -8.615 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.028 -9.029 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.772 -10.475 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.472 -9.633 -1.244 1.00 0.00 H new ATOM 916 N CYS A 63 -5.491 -9.766 2.833 1.00 0.00 N ATOM 917 CA CYS A 63 -6.807 -10.339 3.091 1.00 0.00 C ATOM 918 C CYS A 63 -7.772 -9.258 3.566 1.00 0.00 C ATOM 919 O CYS A 63 -8.954 -9.268 3.221 1.00 0.00 O ATOM 920 CB CYS A 63 -6.705 -11.453 4.133 1.00 0.00 C ATOM 921 SG CYS A 63 -7.944 -12.757 3.943 1.00 0.00 S ATOM 0 H CYS A 63 -4.725 -10.230 3.322 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.189 -10.763 2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.712 -11.899 4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.802 -11.016 5.127 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.775 -13.654 4.868 1.00 0.00 H new ATOM 927 N GLU A 64 -7.251 -8.314 4.343 1.00 0.00 N ATOM 928 CA GLU A 64 -8.054 -7.211 4.850 1.00 0.00 C ATOM 929 C GLU A 64 -8.178 -6.131 3.782 1.00 0.00 C ATOM 930 O GLU A 64 -9.210 -5.468 3.666 1.00 0.00 O ATOM 931 CB GLU A 64 -7.427 -6.628 6.118 1.00 0.00 C ATOM 932 CG GLU A 64 -8.448 -6.216 7.166 1.00 0.00 C ATOM 933 CD GLU A 64 -8.576 -7.230 8.286 1.00 0.00 C ATOM 934 OE1 GLU A 64 -8.658 -8.440 7.984 1.00 0.00 O ATOM 935 OE2 GLU A 64 -8.596 -6.816 9.463 1.00 0.00 O ATOM 0 H GLU A 64 -6.274 -8.292 4.635 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.047 -7.585 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.751 -7.365 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.824 -5.761 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.163 -5.251 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.419 -6.082 6.689 1.00 0.00 H new ATOM 942 N VAL A 65 -7.119 -5.973 2.992 1.00 0.00 N ATOM 943 CA VAL A 65 -7.101 -4.990 1.918 1.00 0.00 C ATOM 944 C VAL A 65 -8.129 -5.352 0.852 1.00 0.00 C ATOM 945 O VAL A 65 -9.029 -4.570 0.546 1.00 0.00 O ATOM 946 CB VAL A 65 -5.709 -4.905 1.254 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.716 -3.893 0.118 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.636 -4.564 2.281 1.00 0.00 C ATOM 0 H VAL A 65 -6.260 -6.517 3.078 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.343 -4.023 2.359 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.472 -5.883 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.726 -3.849 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.446 -4.194 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.981 -2.910 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.665 -4.510 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.864 -3.602 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.610 -5.336 3.050 1.00 0.00 H new ATOM 958 N ASP A 66 -7.976 -6.545 0.290 1.00 0.00 N ATOM 959 CA ASP A 66 -8.875 -7.029 -0.747 1.00 0.00 C ATOM 960 C ASP A 66 -10.295 -7.192 -0.215 1.00 0.00 C ATOM 961 O ASP A 66 -10.552 -8.026 0.653 1.00 0.00 O ATOM 962 CB ASP A 66 -8.368 -8.363 -1.297 1.00 0.00 C ATOM 963 CG ASP A 66 -7.252 -8.181 -2.307 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.111 -7.896 -1.886 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.519 -8.322 -3.519 1.00 0.00 O ATOM 0 H ASP A 66 -7.232 -7.198 0.538 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.896 -6.291 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.012 -8.982 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.194 -8.899 -1.764 1.00 0.00 H new ATOM 970 N GLU A 67 -11.213 -6.392 -0.745 1.00 0.00 N ATOM 971 CA GLU A 67 -12.608 -6.448 -0.331 1.00 0.00 C ATOM 972 C GLU A 67 -13.386 -7.454 -1.174 1.00 0.00 C ATOM 973 O GLU A 67 -14.424 -7.963 -0.751 1.00 0.00 O ATOM 974 CB GLU A 67 -13.251 -5.064 -0.443 1.00 0.00 C ATOM 975 CG GLU A 67 -12.880 -4.127 0.695 1.00 0.00 C ATOM 976 CD GLU A 67 -13.224 -4.701 2.056 1.00 0.00 C ATOM 977 OE1 GLU A 67 -14.380 -4.528 2.498 1.00 0.00 O ATOM 978 OE2 GLU A 67 -12.338 -5.321 2.680 1.00 0.00 O ATOM 0 H GLU A 67 -11.015 -5.696 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.640 -6.772 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.954 -4.610 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.335 -5.177 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.812 -3.915 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.399 -3.177 0.563 1.00 0.00 H new ATOM 985 N ASP A 68 -12.878 -7.736 -2.371 1.00 0.00 N ATOM 986 CA ASP A 68 -13.526 -8.681 -3.274 1.00 0.00 C ATOM 987 C ASP A 68 -12.813 -10.033 -3.267 1.00 0.00 C ATOM 988 O ASP A 68 -12.976 -10.831 -4.190 1.00 0.00 O ATOM 989 CB ASP A 68 -13.552 -8.116 -4.696 1.00 0.00 C ATOM 990 CG ASP A 68 -12.161 -7.893 -5.257 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.377 -7.150 -4.627 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.853 -8.461 -6.326 1.00 0.00 O ATOM 0 H ASP A 68 -12.020 -7.323 -2.737 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.547 -8.832 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.097 -8.801 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.097 -7.172 -4.699 1.00 0.00 H new ATOM 997 N GLY A 69 -12.023 -10.284 -2.226 1.00 0.00 N ATOM 998 CA GLY A 69 -11.301 -11.542 -2.127 1.00 0.00 C ATOM 999 C GLY A 69 -10.525 -11.869 -3.389 1.00 0.00 C ATOM 1000 O GLY A 69 -10.725 -12.922 -3.995 1.00 0.00 O ATOM 0 H GLY A 69 -11.870 -9.640 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.613 -11.496 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.007 -12.347 -1.920 1.00 0.00 H new ATOM 1004 N SER A 70 -9.642 -10.959 -3.789 1.00 0.00 N ATOM 1005 CA SER A 70 -8.837 -11.150 -4.991 1.00 0.00 C ATOM 1006 C SER A 70 -7.364 -11.353 -4.646 1.00 0.00 C ATOM 1007 O SER A 70 -6.592 -11.855 -5.465 1.00 0.00 O ATOM 1008 CB SER A 70 -8.985 -9.943 -5.920 1.00 0.00 C ATOM 1009 OG SER A 70 -9.349 -8.780 -5.194 1.00 0.00 O ATOM 0 H SER A 70 -9.466 -10.082 -3.299 1.00 0.00 H new ATOM 0 HA SER A 70 -9.198 -12.046 -5.495 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.046 -9.768 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.740 -10.154 -6.677 1.00 0.00 H new ATOM 0 HG SER A 70 -8.548 -8.376 -4.801 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.974 -10.952 -3.440 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.590 -11.092 -3.027 1.00 0.00 C ATOM 1017 C GLY A 71 -4.668 -10.142 -3.770 1.00 0.00 C ATOM 1018 O GLY A 71 -3.445 -10.238 -3.657 1.00 0.00 O ATOM 0 H GLY A 71 -7.590 -10.534 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.512 -10.907 -1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.264 -12.118 -3.197 1.00 0.00 H new ATOM 1022 N THR A 72 -5.253 -9.220 -4.533 1.00 0.00 N ATOM 1023 CA THR A 72 -4.475 -8.250 -5.294 1.00 0.00 C ATOM 1024 C THR A 72 -4.852 -6.827 -4.900 1.00 0.00 C ATOM 1025 O THR A 72 -6.004 -6.547 -4.566 1.00 0.00 O ATOM 1026 CB THR A 72 -4.694 -8.453 -6.794 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.969 -7.974 -7.184 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.596 -9.900 -7.223 1.00 0.00 C ATOM 0 H THR A 72 -6.263 -9.126 -4.639 1.00 0.00 H new ATOM 0 HA THR A 72 -3.421 -8.405 -5.066 1.00 0.00 H new ATOM 0 HB THR A 72 -3.896 -7.892 -7.281 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.089 -8.111 -8.147 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.761 -9.973 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.605 -10.285 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.351 -10.487 -6.699 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.871 -5.931 -4.936 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.095 -4.536 -4.578 1.00 0.00 C ATOM 1038 C ILE A 73 -4.164 -3.650 -5.818 1.00 0.00 C ATOM 1039 O ILE A 73 -3.203 -3.555 -6.580 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.982 -4.019 -3.648 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.801 -4.963 -2.457 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.299 -2.609 -3.171 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.498 -4.755 -1.715 1.00 0.00 C ATOM 0 H ILE A 73 -2.912 -6.147 -5.210 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.051 -4.489 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.048 -3.989 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.631 -4.824 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.849 -5.993 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.502 -2.259 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.380 -1.944 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.243 -2.613 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.437 -5.457 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.662 -4.922 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.456 -3.735 -1.332 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.309 -3.002 -6.013 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.507 -2.122 -7.158 1.00 0.00 C ATOM 1057 C ASP A 74 -4.686 -0.842 -7.015 1.00 0.00 C ATOM 1058 O ASP A 74 -3.822 -0.743 -6.144 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.992 -1.778 -7.311 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.601 -2.391 -8.557 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.285 -1.916 -9.668 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.394 -3.347 -8.421 1.00 0.00 O ATOM 0 H ASP A 74 -6.114 -3.071 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.168 -2.648 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.536 -2.128 -6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.110 -0.695 -7.347 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.961 0.132 -7.877 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.248 1.403 -7.849 1.00 0.00 C ATOM 1069 C PHE A 75 -4.463 2.121 -6.518 1.00 0.00 C ATOM 1070 O PHE A 75 -3.604 2.082 -5.638 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.705 2.294 -9.007 1.00 0.00 C ATOM 1072 CG PHE A 75 -4.311 1.768 -10.358 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -5.117 0.857 -11.022 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.136 2.185 -10.963 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -4.758 0.372 -12.264 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.773 1.703 -12.206 1.00 0.00 C ATOM 1077 CZ PHE A 75 -3.584 0.795 -12.857 1.00 0.00 C ATOM 0 H PHE A 75 -5.673 0.065 -8.604 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.183 1.197 -7.959 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.789 2.399 -8.969 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.284 3.291 -8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.036 0.523 -10.563 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.497 2.894 -10.458 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.395 -0.338 -12.772 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.855 2.036 -12.668 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.301 0.416 -13.828 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.612 2.776 -6.377 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.932 3.499 -5.151 1.00 0.00 C ATOM 1089 C GLU A 76 -5.988 2.551 -3.958 1.00 0.00 C ATOM 1090 O GLU A 76 -5.798 2.968 -2.815 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.270 4.229 -5.293 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.258 5.322 -6.349 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.670 6.673 -5.797 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.368 6.949 -4.617 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -8.297 7.453 -6.544 1.00 0.00 O ATOM 0 H GLU A 76 -6.335 2.821 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.142 4.230 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.045 3.504 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.539 4.667 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.258 5.398 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.931 5.045 -7.161 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.253 1.277 -4.228 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.336 0.275 -3.171 1.00 0.00 C ATOM 1104 C GLU A 77 -5.077 0.280 -2.306 1.00 0.00 C ATOM 1105 O GLU A 77 -5.119 -0.113 -1.142 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.566 -1.116 -3.771 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.005 -1.592 -3.652 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.201 -3.003 -4.174 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.229 -3.787 -4.149 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.327 -3.325 -4.608 1.00 0.00 O ATOM 0 H GLU A 77 -6.414 0.914 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.183 0.527 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.281 -1.102 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.912 -1.832 -3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.312 -1.550 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.655 -0.912 -4.203 1.00 0.00 H new ATOM 1117 N PHE A 78 -3.963 0.737 -2.878 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.698 0.802 -2.148 1.00 0.00 C ATOM 1119 C PHE A 78 -2.801 1.759 -0.961 1.00 0.00 C ATOM 1120 O PHE A 78 -1.969 1.729 -0.054 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.564 1.240 -3.075 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.199 0.893 -2.553 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.225 -0.425 -2.509 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.657 1.885 -2.101 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.479 -0.748 -2.025 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.911 1.567 -1.615 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.322 0.249 -1.578 1.00 0.00 C ATOM 0 H PHE A 78 -3.911 1.067 -3.842 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.478 -0.196 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.701 0.773 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.624 2.318 -3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.431 -1.209 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.341 2.917 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.799 -1.779 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.569 2.348 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.302 -0.001 -1.200 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.831 2.597 -0.963 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.045 3.538 0.126 1.00 0.00 C ATOM 1139 C LEU A 79 -5.020 2.948 1.138 1.00 0.00 C ATOM 1140 O LEU A 79 -4.851 3.106 2.346 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.580 4.867 -0.411 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.642 5.602 -1.374 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.254 5.681 -2.764 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.320 6.995 -0.851 1.00 0.00 C ATOM 0 H LEU A 79 -4.529 2.643 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.091 3.725 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.526 4.681 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.795 5.522 0.433 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.712 5.038 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.572 6.207 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.429 4.674 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.201 6.219 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.653 7.500 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.242 7.568 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.835 6.915 0.122 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.036 2.257 0.629 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.041 1.628 1.479 1.00 0.00 C ATOM 1158 C VAL A 80 -6.436 0.483 2.275 1.00 0.00 C ATOM 1159 O VAL A 80 -6.782 0.269 3.437 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.219 1.081 0.656 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.325 0.583 1.574 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.745 2.140 -0.297 1.00 0.00 C ATOM 0 H VAL A 80 -6.185 2.118 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.406 2.400 2.156 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.862 0.239 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.150 0.200 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.939 -0.213 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.680 1.405 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.578 1.733 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.085 3.005 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.950 2.443 -0.978 1.00 0.00 H new ATOM 1172 N MET A 81 -5.526 -0.248 1.639 1.00 0.00 N ATOM 1173 CA MET A 81 -4.857 -1.375 2.277 1.00 0.00 C ATOM 1174 C MET A 81 -4.402 -1.001 3.675 1.00 0.00 C ATOM 1175 O MET A 81 -4.461 -1.801 4.610 1.00 0.00 O ATOM 1176 CB MET A 81 -3.640 -1.792 1.452 1.00 0.00 C ATOM 1177 CG MET A 81 -2.894 -0.625 0.835 1.00 0.00 C ATOM 1178 SD MET A 81 -1.135 -0.957 0.645 1.00 0.00 S ATOM 1179 CE MET A 81 -0.691 -1.200 2.356 1.00 0.00 C ATOM 0 H MET A 81 -5.234 -0.078 0.677 1.00 0.00 H new ATOM 0 HA MET A 81 -5.563 -2.203 2.339 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.956 -2.354 2.088 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.963 -2.466 0.658 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.325 -0.396 -0.140 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.029 0.259 1.458 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.168 -0.575 2.601 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.532 -0.926 2.993 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.437 -2.247 2.521 1.00 0.00 H new ATOM 1189 N MET A 82 -3.935 0.228 3.790 1.00 0.00 N ATOM 1190 CA MET A 82 -3.442 0.760 5.042 1.00 0.00 C ATOM 1191 C MET A 82 -4.542 1.491 5.807 1.00 0.00 C ATOM 1192 O MET A 82 -4.519 1.551 7.035 1.00 0.00 O ATOM 1193 CB MET A 82 -2.270 1.683 4.750 1.00 0.00 C ATOM 1194 CG MET A 82 -0.966 0.927 4.562 1.00 0.00 C ATOM 1195 SD MET A 82 0.230 1.270 5.860 1.00 0.00 S ATOM 1196 CE MET A 82 0.683 2.933 5.404 1.00 0.00 C ATOM 0 H MET A 82 -3.888 0.887 3.013 1.00 0.00 H new ATOM 0 HA MET A 82 -3.110 -0.061 5.678 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.483 2.262 3.852 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.159 2.394 5.569 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.172 -0.143 4.537 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.534 1.191 3.597 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.080 3.454 6.275 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.443 2.902 4.623 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.196 3.461 5.035 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.514 2.034 5.075 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.628 2.747 5.694 1.00 0.00 C ATOM 1208 C VAL A 83 -7.485 1.791 6.521 1.00 0.00 C ATOM 1209 O VAL A 83 -7.913 2.122 7.626 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.517 3.435 4.636 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.695 4.144 5.290 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.703 4.412 3.799 1.00 0.00 C ATOM 0 H VAL A 83 -5.552 1.994 4.057 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.200 3.511 6.343 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.910 2.662 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.305 4.620 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.299 3.419 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.326 4.901 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.350 4.885 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.273 5.176 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.902 3.876 3.290 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.730 0.604 5.973 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.537 -0.403 6.653 1.00 0.00 C ATOM 1224 C ARG A 84 -7.885 -0.842 7.961 1.00 0.00 C ATOM 1225 O ARG A 84 -8.569 -1.267 8.893 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.747 -1.616 5.745 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.398 -1.275 4.415 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.369 -2.359 3.973 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.631 -1.802 3.493 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.539 -1.233 4.283 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.327 -1.143 5.590 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.659 -0.752 3.764 1.00 0.00 N ATOM 0 H ARG A 84 -7.381 0.316 5.059 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.503 0.044 6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.784 -2.090 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.366 -2.347 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.926 -0.325 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.628 -1.144 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.912 -2.955 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.564 -3.033 4.807 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.828 -1.852 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.465 -1.511 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.026 -0.706 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.825 -0.818 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.355 -0.316 4.369 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.562 -0.739 8.026 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.826 -1.130 9.226 1.00 0.00 C ATOM 1248 C GLN A 85 -5.229 0.086 9.936 1.00 0.00 C ATOM 1249 O GLN A 85 -4.397 -0.056 10.833 1.00 0.00 O ATOM 1250 CB GLN A 85 -4.727 -2.144 8.881 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.544 -1.557 8.121 1.00 0.00 C ATOM 1252 CD GLN A 85 -2.544 -0.874 9.032 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -2.346 0.338 8.958 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -1.908 -1.652 9.901 1.00 0.00 N ATOM 0 H GLN A 85 -5.978 -0.390 7.266 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.533 -1.601 9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.363 -2.594 9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.164 -2.946 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.042 -2.351 7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.909 -0.839 7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.103 -2.653 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.224 -1.249 10.541 1.00 0.00 H new ATOM 1263 N MET A 86 -5.664 1.281 9.540 1.00 0.00 N ATOM 1264 CA MET A 86 -5.174 2.512 10.150 1.00 0.00 C ATOM 1265 C MET A 86 -6.213 3.091 11.106 1.00 0.00 C ATOM 1266 O MET A 86 -5.891 3.468 12.232 1.00 0.00 O ATOM 1267 CB MET A 86 -4.824 3.540 9.071 1.00 0.00 C ATOM 1268 CG MET A 86 -3.335 3.633 8.782 1.00 0.00 C ATOM 1269 SD MET A 86 -2.869 5.207 8.037 1.00 0.00 S ATOM 1270 CE MET A 86 -2.055 4.646 6.544 1.00 0.00 C ATOM 0 H MET A 86 -6.353 1.421 8.801 1.00 0.00 H new ATOM 0 HA MET A 86 -4.274 2.276 10.717 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.349 3.282 8.151 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.187 4.519 9.382 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.780 3.496 9.710 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.047 2.820 8.115 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.373 5.418 6.189 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.494 3.736 6.755 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.802 4.442 5.777 1.00 0.00 H new ATOM 1280 N LYS A 87 -7.459 3.157 10.648 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.546 3.689 11.462 1.00 0.00 C ATOM 1282 C LYS A 87 -8.682 2.909 12.766 1.00 0.00 C ATOM 1283 O LYS A 87 -9.049 3.467 13.800 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.864 3.638 10.686 1.00 0.00 C ATOM 1285 CG LYS A 87 -10.026 4.775 9.689 1.00 0.00 C ATOM 1286 CD LYS A 87 -10.341 4.256 8.295 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.647 3.476 8.272 1.00 0.00 C ATOM 1288 NZ LYS A 87 -12.819 4.362 8.036 1.00 0.00 N ATOM 0 H LYS A 87 -7.741 2.849 9.718 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.312 4.726 11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.927 2.688 10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.694 3.664 11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.825 5.439 10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.111 5.367 9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.404 5.093 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.528 3.616 7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.603 2.717 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.773 2.952 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.604 3.803 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.114 4.794 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.559 5.110 7.362 1.00 0.00 H new ATOM 1384 N SER B 117 2.538 2.249 10.631 1.00 0.00 N ATOM 1385 CA SER B 117 3.503 3.274 10.255 1.00 0.00 C ATOM 1386 C SER B 117 4.372 2.801 9.097 1.00 0.00 C ATOM 1387 O SER B 117 5.596 2.737 9.207 1.00 0.00 O ATOM 1388 CB SER B 117 4.378 3.650 11.452 1.00 0.00 C ATOM 1389 OG SER B 117 4.855 2.494 12.120 1.00 0.00 O ATOM 0 HA SER B 117 2.951 4.157 9.933 1.00 0.00 H new ATOM 0 HB2 SER B 117 5.221 4.253 11.115 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.805 4.264 12.146 1.00 0.00 H new ATOM 0 HG SER B 117 4.205 1.767 12.021 1.00 0.00 H new ATOM 1395 N ALA B 118 3.727 2.483 7.980 1.00 0.00 N ATOM 1396 CA ALA B 118 4.439 2.029 6.793 1.00 0.00 C ATOM 1397 C ALA B 118 5.083 3.203 6.060 1.00 0.00 C ATOM 1398 O ALA B 118 5.764 3.014 5.052 1.00 0.00 O ATOM 1399 CB ALA B 118 3.495 1.277 5.866 1.00 0.00 C ATOM 0 H ALA B 118 2.714 2.531 7.872 1.00 0.00 H new ATOM 0 HA ALA B 118 5.232 1.352 7.110 1.00 0.00 H new ATOM 0 HB1 ALA B 118 4.041 0.944 4.983 1.00 0.00 H new ATOM 0 HB2 ALA B 118 3.085 0.412 6.388 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.682 1.936 5.562 1.00 0.00 H new ATOM 1405 N ASP B 119 4.869 4.418 6.573 1.00 0.00 N ATOM 1406 CA ASP B 119 5.432 5.622 5.970 1.00 0.00 C ATOM 1407 C ASP B 119 6.897 5.414 5.604 1.00 0.00 C ATOM 1408 O ASP B 119 7.401 6.018 4.658 1.00 0.00 O ATOM 1409 CB ASP B 119 5.296 6.807 6.928 1.00 0.00 C ATOM 1410 CG ASP B 119 5.525 8.137 6.236 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.989 8.328 5.125 1.00 0.00 O ATOM 1412 OD2 ASP B 119 6.242 8.986 6.806 1.00 0.00 O ATOM 0 H ASP B 119 4.308 4.590 7.407 1.00 0.00 H new ATOM 0 HA ASP B 119 4.876 5.835 5.057 1.00 0.00 H new ATOM 0 HB2 ASP B 119 4.301 6.799 7.374 1.00 0.00 H new ATOM 0 HB3 ASP B 119 6.011 6.696 7.743 1.00 0.00 H new ATOM 1417 N ALA B 120 7.576 4.553 6.356 1.00 0.00 N ATOM 1418 CA ALA B 120 8.981 4.265 6.100 1.00 0.00 C ATOM 1419 C ALA B 120 9.177 3.751 4.678 1.00 0.00 C ATOM 1420 O ALA B 120 9.777 4.426 3.843 1.00 0.00 O ATOM 1421 CB ALA B 120 9.511 3.259 7.110 1.00 0.00 C ATOM 0 H ALA B 120 7.177 4.045 7.145 1.00 0.00 H new ATOM 0 HA ALA B 120 9.545 5.192 6.207 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.562 3.056 6.904 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.411 3.666 8.116 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.941 2.333 7.035 1.00 0.00 H new ATOM 1427 N MET B 121 8.653 2.559 4.401 1.00 0.00 N ATOM 1428 CA MET B 121 8.762 1.978 3.067 1.00 0.00 C ATOM 1429 C MET B 121 8.188 2.939 2.037 1.00 0.00 C ATOM 1430 O MET B 121 8.677 3.034 0.913 1.00 0.00 O ATOM 1431 CB MET B 121 8.024 0.637 3.000 1.00 0.00 C ATOM 1432 CG MET B 121 7.998 0.022 1.608 1.00 0.00 C ATOM 1433 SD MET B 121 6.430 -0.784 1.233 1.00 0.00 S ATOM 1434 CE MET B 121 5.303 0.603 1.339 1.00 0.00 C ATOM 0 H MET B 121 8.153 1.981 5.077 1.00 0.00 H new ATOM 0 HA MET B 121 9.816 1.803 2.849 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.498 -0.063 3.688 1.00 0.00 H new ATOM 0 HB3 MET B 121 7.000 0.779 3.344 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.188 0.799 0.868 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.805 -0.705 1.521 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.531 0.504 0.576 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.838 0.620 2.325 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.852 1.531 1.181 1.00 0.00 H new ATOM 1444 N LEU B 122 7.147 3.656 2.442 1.00 0.00 N ATOM 1445 CA LEU B 122 6.500 4.623 1.572 1.00 0.00 C ATOM 1446 C LEU B 122 7.466 5.755 1.238 1.00 0.00 C ATOM 1447 O LEU B 122 7.533 6.214 0.099 1.00 0.00 O ATOM 1448 CB LEU B 122 5.243 5.180 2.246 1.00 0.00 C ATOM 1449 CG LEU B 122 3.980 4.324 2.092 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.120 3.005 2.842 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.761 5.087 2.588 1.00 0.00 C ATOM 0 H LEU B 122 6.733 3.584 3.372 1.00 0.00 H new ATOM 0 HA LEU B 122 6.209 4.126 0.647 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.448 5.308 3.309 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.042 6.171 1.839 1.00 0.00 H new ATOM 0 HG LEU B 122 3.848 4.100 1.033 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.211 2.417 2.717 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.969 2.449 2.445 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.280 3.204 3.902 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.872 4.467 2.473 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.893 5.340 3.640 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.643 6.002 2.007 1.00 0.00 H new ATOM 1463 N ARG B 123 8.222 6.194 2.243 1.00 0.00 N ATOM 1464 CA ARG B 123 9.195 7.265 2.056 1.00 0.00 C ATOM 1465 C ARG B 123 10.565 6.704 1.669 1.00 0.00 C ATOM 1466 O ARG B 123 11.566 7.421 1.697 1.00 0.00 O ATOM 1467 CB ARG B 123 9.316 8.100 3.332 1.00 0.00 C ATOM 1468 CG ARG B 123 10.203 9.325 3.176 1.00 0.00 C ATOM 1469 CD ARG B 123 9.790 10.440 4.124 1.00 0.00 C ATOM 1470 NE ARG B 123 10.855 10.786 5.061 1.00 0.00 N ATOM 1471 CZ ARG B 123 10.788 11.800 5.921 1.00 0.00 C ATOM 1472 NH1 ARG B 123 9.706 12.569 5.966 1.00 0.00 N ATOM 1473 NH2 ARG B 123 11.801 12.044 6.739 1.00 0.00 N ATOM 0 H ARG B 123 8.179 5.824 3.193 1.00 0.00 H new ATOM 0 HA ARG B 123 8.843 7.900 1.243 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.321 8.419 3.643 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.714 7.473 4.130 1.00 0.00 H new ATOM 0 HG2 ARG B 123 11.240 9.050 3.367 1.00 0.00 H new ATOM 0 HG3 ARG B 123 10.152 9.683 2.148 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.514 11.323 3.547 1.00 0.00 H new ATOM 0 HD3 ARG B 123 8.904 10.133 4.680 1.00 0.00 H new ATOM 0 HE ARG B 123 11.701 10.217 5.056 1.00 0.00 H new ATOM 0 HH11 ARG B 123 8.922 12.384 5.340 1.00 0.00 H new ATOM 0 HH12 ARG B 123 9.659 13.345 6.626 1.00 0.00 H new ATOM 0 HH21 ARG B 123 12.633 11.455 6.710 1.00 0.00 H new ATOM 0 HH22 ARG B 123 11.749 12.821 7.398 1.00 0.00 H new ATOM 1487 N ALA B 124 10.605 5.422 1.315 1.00 0.00 N ATOM 1488 CA ALA B 124 11.853 4.771 0.933 1.00 0.00 C ATOM 1489 C ALA B 124 12.266 5.148 -0.486 1.00 0.00 C ATOM 1490 O ALA B 124 13.202 5.919 -0.688 1.00 0.00 O ATOM 1491 CB ALA B 124 11.715 3.260 1.057 1.00 0.00 C ATOM 0 H ALA B 124 9.787 4.814 1.285 1.00 0.00 H new ATOM 0 HA ALA B 124 12.633 5.116 1.611 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.653 2.784 0.769 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.478 3.000 2.088 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.916 2.913 0.402 1.00 0.00 H new ATOM 1497 N LEU B 125 11.563 4.588 -1.463 1.00 0.00 N ATOM 1498 CA LEU B 125 11.854 4.853 -2.866 1.00 0.00 C ATOM 1499 C LEU B 125 11.322 6.217 -3.297 1.00 0.00 C ATOM 1500 O LEU B 125 11.770 6.777 -4.298 1.00 0.00 O ATOM 1501 CB LEU B 125 11.252 3.751 -3.736 1.00 0.00 C ATOM 1502 CG LEU B 125 11.608 2.329 -3.300 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.529 1.352 -3.735 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.960 1.924 -3.866 1.00 0.00 C ATOM 0 H LEU B 125 10.786 3.946 -1.309 1.00 0.00 H new ATOM 0 HA LEU B 125 12.936 4.864 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.167 3.857 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.584 3.896 -4.764 1.00 0.00 H new ATOM 0 HG LEU B 125 11.670 2.306 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.800 0.345 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.579 1.633 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.433 1.375 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.199 0.910 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU B 125 12.925 1.963 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.726 2.609 -3.503 1.00 0.00 H new