USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 60 ASN : amide:sc= -7.64! C(o=-8.9!,f=-11!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.24 USER MOD Set 2.1: A 28 THR OG1 : rot -137:sc= -0.506! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 8 GLN : amide:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= -0.232 (180deg=-0.387) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0606 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -60:sc= 0.841 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 93:sc= 0.61 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 178:sc= 0.543 USER MOD Single : A 41 GLN : amide:sc= -0.0164 K(o=-0.016,f=-0.99) USER MOD Single : A 42 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 49 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.34) USER MOD Single : A 51 MET CE :methyl 146:sc= -1.84 (180deg=-5.09!) USER MOD Single : A 53 ASN : amide:sc= -7.06! C(o=-7.1!,f=-15!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= -0.09 (180deg=-0.577) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -15.129 -13.690 2.952 1.00 0.00 N ATOM 106 CA GLU A 7 -14.166 -14.768 2.801 1.00 0.00 C ATOM 107 C GLU A 7 -13.057 -14.358 1.829 1.00 0.00 C ATOM 108 O GLU A 7 -11.891 -14.687 2.038 1.00 0.00 O ATOM 109 CB GLU A 7 -14.851 -16.055 2.339 1.00 0.00 C ATOM 110 CG GLU A 7 -15.622 -16.709 3.488 1.00 0.00 C ATOM 111 CD GLU A 7 -15.046 -18.086 3.821 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.801 -18.181 3.882 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.863 -19.013 4.008 1.00 0.00 O ATOM 0 HA GLU A 7 -13.715 -14.964 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.533 -15.834 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.105 -16.750 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.579 -16.070 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.673 -16.807 3.216 1.00 0.00 H new ATOM 120 N GLN A 8 -13.461 -13.645 0.788 1.00 0.00 N ATOM 121 CA GLN A 8 -12.517 -13.186 -0.216 1.00 0.00 C ATOM 122 C GLN A 8 -11.494 -12.236 0.411 1.00 0.00 C ATOM 123 O GLN A 8 -10.289 -12.443 0.280 1.00 0.00 O ATOM 124 CB GLN A 8 -13.242 -12.516 -1.385 1.00 0.00 C ATOM 125 CG GLN A 8 -12.428 -12.634 -2.675 1.00 0.00 C ATOM 126 CD GLN A 8 -13.028 -13.687 -3.608 1.00 0.00 C ATOM 127 OE1 GLN A 8 -13.660 -13.382 -4.606 1.00 0.00 O ATOM 128 NE2 GLN A 8 -12.795 -14.941 -3.230 1.00 0.00 N ATOM 0 H GLN A 8 -14.430 -13.374 0.618 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.986 -14.053 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.220 -12.978 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.416 -11.465 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.400 -11.669 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.398 -12.899 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.258 -15.127 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.153 -15.717 -3.787 1.00 0.00 H new ATOM 137 N ILE A 9 -12.013 -11.216 1.078 1.00 0.00 N ATOM 138 CA ILE A 9 -11.160 -10.234 1.726 1.00 0.00 C ATOM 139 C ILE A 9 -10.085 -10.957 2.540 1.00 0.00 C ATOM 140 O ILE A 9 -8.904 -10.628 2.445 1.00 0.00 O ATOM 141 CB ILE A 9 -12.000 -9.255 2.549 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.519 -7.816 2.347 1.00 0.00 C ATOM 143 CG2 ILE A 9 -12.015 -9.652 4.026 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.345 -7.107 1.272 1.00 0.00 C ATOM 0 H ILE A 9 -13.013 -11.048 1.184 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.643 -9.628 0.982 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.029 -9.304 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.593 -7.269 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.467 -7.817 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.619 -8.940 4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.440 -10.650 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.996 -9.649 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.982 -6.087 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.250 -7.643 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.392 -7.086 1.573 1.00 0.00 H new ATOM 156 N ALA A 10 -10.533 -11.928 3.322 1.00 0.00 N ATOM 157 CA ALA A 10 -9.624 -12.700 4.152 1.00 0.00 C ATOM 158 C ALA A 10 -8.344 -12.991 3.365 1.00 0.00 C ATOM 159 O ALA A 10 -7.249 -12.968 3.925 1.00 0.00 O ATOM 160 CB ALA A 10 -10.322 -13.978 4.622 1.00 0.00 C ATOM 0 H ALA A 10 -11.514 -12.198 3.398 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.344 -12.136 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.640 -14.557 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.208 -13.717 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.616 -14.572 3.756 1.00 0.00 H new ATOM 166 N GLU A 11 -8.525 -13.257 2.080 1.00 0.00 N ATOM 167 CA GLU A 11 -7.398 -13.551 1.211 1.00 0.00 C ATOM 168 C GLU A 11 -6.590 -12.280 0.940 1.00 0.00 C ATOM 169 O GLU A 11 -5.363 -12.290 1.025 1.00 0.00 O ATOM 170 CB GLU A 11 -7.867 -14.192 -0.097 1.00 0.00 C ATOM 171 CG GLU A 11 -8.716 -15.435 0.175 1.00 0.00 C ATOM 172 CD GLU A 11 -9.370 -15.945 -1.111 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.637 -16.043 -2.119 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.587 -16.224 -1.056 1.00 0.00 O ATOM 0 H GLU A 11 -9.435 -13.275 1.620 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.751 -14.268 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.447 -13.470 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.003 -14.463 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.092 -16.219 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.486 -15.200 0.910 1.00 0.00 H new ATOM 181 N PHE A 12 -7.312 -11.216 0.620 1.00 0.00 N ATOM 182 CA PHE A 12 -6.678 -9.939 0.336 1.00 0.00 C ATOM 183 C PHE A 12 -5.729 -9.535 1.466 1.00 0.00 C ATOM 184 O PHE A 12 -4.729 -8.858 1.230 1.00 0.00 O ATOM 185 CB PHE A 12 -7.795 -8.899 0.227 1.00 0.00 C ATOM 186 CG PHE A 12 -8.427 -8.808 -1.163 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.318 -9.752 -1.568 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.098 -7.783 -1.994 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.905 -9.668 -2.858 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.684 -7.699 -3.284 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.576 -8.643 -3.689 1.00 0.00 C ATOM 0 H PHE A 12 -8.330 -11.212 0.551 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.096 -10.009 -0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.572 -9.138 0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.395 -7.922 0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.579 -10.566 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.391 -7.033 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.613 -10.418 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.422 -6.886 -3.944 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.023 -8.578 -4.670 1.00 0.00 H new ATOM 201 N LYS A 13 -6.076 -9.967 2.670 1.00 0.00 N ATOM 202 CA LYS A 13 -5.267 -9.659 3.837 1.00 0.00 C ATOM 203 C LYS A 13 -3.786 -9.773 3.471 1.00 0.00 C ATOM 204 O LYS A 13 -3.022 -8.827 3.657 1.00 0.00 O ATOM 205 CB LYS A 13 -5.678 -10.538 5.020 1.00 0.00 C ATOM 206 CG LYS A 13 -6.996 -10.056 5.629 1.00 0.00 C ATOM 207 CD LYS A 13 -7.046 -10.349 7.130 1.00 0.00 C ATOM 208 CE LYS A 13 -8.341 -11.074 7.504 1.00 0.00 C ATOM 209 NZ LYS A 13 -9.518 -10.274 7.101 1.00 0.00 N ATOM 0 H LYS A 13 -6.906 -10.528 2.862 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.437 -8.631 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.782 -11.572 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.895 -10.522 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.109 -8.985 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.832 -10.547 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.188 -10.959 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.973 -9.416 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.373 -12.049 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.367 -11.254 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.097 -10.062 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.201 -9.384 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.085 -10.812 6.415 1.00 0.00 H new ATOM 223 N GLU A 14 -3.425 -10.939 2.957 1.00 0.00 N ATOM 224 CA GLU A 14 -2.049 -11.189 2.563 1.00 0.00 C ATOM 225 C GLU A 14 -1.567 -10.104 1.598 1.00 0.00 C ATOM 226 O GLU A 14 -0.444 -9.617 1.716 1.00 0.00 O ATOM 227 CB GLU A 14 -1.900 -12.580 1.943 1.00 0.00 C ATOM 228 CG GLU A 14 -2.272 -13.671 2.949 1.00 0.00 C ATOM 229 CD GLU A 14 -1.449 -14.939 2.712 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.270 -14.936 3.128 1.00 0.00 O ATOM 231 OE2 GLU A 14 -2.017 -15.883 2.121 1.00 0.00 O ATOM 0 H GLU A 14 -4.061 -11.721 2.804 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.425 -11.157 3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.537 -12.660 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.873 -12.724 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.104 -13.308 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.334 -13.901 2.865 1.00 0.00 H new ATOM 238 N ALA A 15 -2.441 -9.758 0.664 1.00 0.00 N ATOM 239 CA ALA A 15 -2.119 -8.740 -0.321 1.00 0.00 C ATOM 240 C ALA A 15 -1.608 -7.487 0.394 1.00 0.00 C ATOM 241 O ALA A 15 -0.520 -6.998 0.096 1.00 0.00 O ATOM 242 CB ALA A 15 -3.350 -8.457 -1.184 1.00 0.00 C ATOM 0 H ALA A 15 -3.372 -10.165 0.569 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.327 -9.086 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.108 -7.693 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.655 -9.371 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.165 -8.105 -0.551 1.00 0.00 H new ATOM 248 N PHE A 16 -2.419 -7.004 1.324 1.00 0.00 N ATOM 249 CA PHE A 16 -2.062 -5.818 2.085 1.00 0.00 C ATOM 250 C PHE A 16 -0.667 -5.958 2.697 1.00 0.00 C ATOM 251 O PHE A 16 0.060 -4.974 2.824 1.00 0.00 O ATOM 252 CB PHE A 16 -3.089 -5.684 3.211 1.00 0.00 C ATOM 253 CG PHE A 16 -2.911 -4.430 4.069 1.00 0.00 C ATOM 254 CD1 PHE A 16 -2.990 -3.198 3.498 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.673 -4.547 5.403 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.825 -2.034 4.294 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.507 -3.383 6.199 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.587 -2.151 5.628 1.00 0.00 C ATOM 0 H PHE A 16 -3.322 -7.412 1.568 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.057 -4.945 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.089 -5.676 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.026 -6.563 3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.178 -3.105 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.610 -5.525 5.857 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.888 -1.056 3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.317 -3.476 7.258 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.462 -1.266 6.234 1.00 0.00 H new ATOM 268 N SER A 17 -0.336 -7.188 3.060 1.00 0.00 N ATOM 269 CA SER A 17 0.959 -7.470 3.656 1.00 0.00 C ATOM 270 C SER A 17 2.076 -7.120 2.670 1.00 0.00 C ATOM 271 O SER A 17 3.004 -6.389 3.011 1.00 0.00 O ATOM 272 CB SER A 17 1.064 -8.936 4.078 1.00 0.00 C ATOM 273 OG SER A 17 -0.142 -9.408 4.673 1.00 0.00 O ATOM 0 H SER A 17 -0.942 -8.001 2.953 1.00 0.00 H new ATOM 0 HA SER A 17 1.065 -6.855 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.302 -9.548 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.886 -9.052 4.784 1.00 0.00 H new ATOM 0 HG SER A 17 -0.035 -10.348 4.927 1.00 0.00 H new ATOM 279 N LEU A 18 1.949 -7.660 1.466 1.00 0.00 N ATOM 280 CA LEU A 18 2.936 -7.415 0.428 1.00 0.00 C ATOM 281 C LEU A 18 3.445 -5.976 0.544 1.00 0.00 C ATOM 282 O LEU A 18 4.645 -5.748 0.691 1.00 0.00 O ATOM 283 CB LEU A 18 2.362 -7.755 -0.948 1.00 0.00 C ATOM 284 CG LEU A 18 2.938 -8.999 -1.627 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.080 -10.231 -1.333 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.118 -8.771 -3.129 1.00 0.00 C ATOM 0 H LEU A 18 1.178 -8.266 1.187 1.00 0.00 H new ATOM 0 HA LEU A 18 3.797 -8.070 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.285 -7.886 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.519 -6.901 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 18 3.927 -9.188 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.512 -11.101 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.048 -10.404 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.069 -10.067 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.529 -9.671 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.153 -8.542 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.801 -7.937 -3.291 1.00 0.00 H new ATOM 298 N PHE A 19 2.507 -5.043 0.475 1.00 0.00 N ATOM 299 CA PHE A 19 2.845 -3.633 0.570 1.00 0.00 C ATOM 300 C PHE A 19 3.343 -3.283 1.973 1.00 0.00 C ATOM 301 O PHE A 19 4.348 -2.589 2.124 1.00 0.00 O ATOM 302 CB PHE A 19 1.564 -2.846 0.285 1.00 0.00 C ATOM 303 CG PHE A 19 1.223 -2.729 -1.202 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.625 -3.697 -2.070 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.518 -1.659 -1.656 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.309 -3.589 -3.450 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.202 -1.551 -3.036 1.00 0.00 C ATOM 308 CZ PHE A 19 0.604 -2.518 -3.904 1.00 0.00 C ATOM 0 H PHE A 19 1.513 -5.236 0.354 1.00 0.00 H new ATOM 0 HA PHE A 19 3.637 -3.391 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.733 -3.326 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.664 -1.845 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.184 -4.547 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.198 -0.891 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.628 -4.357 -4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.358 -0.701 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.363 -2.435 -4.954 1.00 0.00 H new ATOM 318 N ASP A 20 2.618 -3.778 2.965 1.00 0.00 N ATOM 319 CA ASP A 20 2.973 -3.525 4.351 1.00 0.00 C ATOM 320 C ASP A 20 4.207 -4.355 4.716 1.00 0.00 C ATOM 321 O ASP A 20 4.083 -5.461 5.239 1.00 0.00 O ATOM 322 CB ASP A 20 1.838 -3.928 5.294 1.00 0.00 C ATOM 323 CG ASP A 20 2.256 -4.166 6.746 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.885 -3.247 7.313 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.937 -5.262 7.256 1.00 0.00 O ATOM 0 H ASP A 20 1.786 -4.353 2.836 1.00 0.00 H new ATOM 0 HA ASP A 20 3.170 -2.458 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.076 -3.149 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.374 -4.837 4.912 1.00 0.00 H new ATOM 330 N LYS A 21 5.368 -3.788 4.424 1.00 0.00 N ATOM 331 CA LYS A 21 6.623 -4.461 4.715 1.00 0.00 C ATOM 332 C LYS A 21 7.084 -4.085 6.124 1.00 0.00 C ATOM 333 O LYS A 21 8.260 -4.226 6.455 1.00 0.00 O ATOM 334 CB LYS A 21 7.657 -4.159 3.628 1.00 0.00 C ATOM 335 CG LYS A 21 8.222 -5.451 3.034 1.00 0.00 C ATOM 336 CD LYS A 21 9.101 -6.183 4.050 1.00 0.00 C ATOM 337 CE LYS A 21 8.511 -7.552 4.399 1.00 0.00 C ATOM 338 NZ LYS A 21 9.308 -8.633 3.778 1.00 0.00 N ATOM 0 H LYS A 21 5.466 -2.871 3.989 1.00 0.00 H new ATOM 0 HA LYS A 21 6.487 -5.542 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.198 -3.563 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.467 -3.563 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.404 -6.100 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.805 -5.221 2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.105 -6.308 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.195 -5.582 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.492 -7.681 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.479 -7.609 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.894 -9.555 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.304 -8.517 2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.286 -8.588 4.128 1.00 0.00 H new ATOM 352 N ASP A 22 6.133 -3.615 6.918 1.00 0.00 N ATOM 353 CA ASP A 22 6.426 -3.218 8.284 1.00 0.00 C ATOM 354 C ASP A 22 5.659 -4.122 9.250 1.00 0.00 C ATOM 355 O ASP A 22 5.901 -4.097 10.455 1.00 0.00 O ATOM 356 CB ASP A 22 5.993 -1.773 8.543 1.00 0.00 C ATOM 357 CG ASP A 22 5.959 -1.363 10.017 1.00 0.00 C ATOM 358 OD1 ASP A 22 6.913 -1.738 10.732 1.00 0.00 O ATOM 359 OD2 ASP A 22 4.980 -0.684 10.394 1.00 0.00 O ATOM 0 H ASP A 22 5.158 -3.500 6.641 1.00 0.00 H new ATOM 0 HA ASP A 22 7.502 -3.305 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.671 -1.105 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.001 -1.625 8.117 1.00 0.00 H new ATOM 364 N GLY A 23 4.748 -4.901 8.684 1.00 0.00 N ATOM 365 CA GLY A 23 3.943 -5.812 9.480 1.00 0.00 C ATOM 366 C GLY A 23 3.427 -5.124 10.745 1.00 0.00 C ATOM 367 O GLY A 23 3.925 -5.379 11.841 1.00 0.00 O ATOM 0 H GLY A 23 4.550 -4.920 7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.101 -6.171 8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.537 -6.685 9.753 1.00 0.00 H new ATOM 371 N ASP A 24 2.436 -4.267 10.552 1.00 0.00 N ATOM 372 CA ASP A 24 1.847 -3.541 11.665 1.00 0.00 C ATOM 373 C ASP A 24 0.330 -3.478 11.481 1.00 0.00 C ATOM 374 O ASP A 24 -0.424 -3.688 12.431 1.00 0.00 O ATOM 375 CB ASP A 24 2.376 -2.106 11.729 1.00 0.00 C ATOM 376 CG ASP A 24 2.161 -1.281 10.458 1.00 0.00 C ATOM 377 OD1 ASP A 24 2.828 -1.606 9.451 1.00 0.00 O ATOM 378 OD2 ASP A 24 1.336 -0.345 10.522 1.00 0.00 O ATOM 0 H ASP A 24 2.026 -4.059 9.642 1.00 0.00 H new ATOM 0 HA ASP A 24 2.110 -4.063 12.585 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.895 -1.594 12.562 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.443 -2.137 11.948 1.00 0.00 H new ATOM 383 N GLY A 25 -0.074 -3.187 10.253 1.00 0.00 N ATOM 384 CA GLY A 25 -1.488 -3.094 9.933 1.00 0.00 C ATOM 385 C GLY A 25 -1.764 -1.904 9.012 1.00 0.00 C ATOM 386 O GLY A 25 -2.872 -1.755 8.498 1.00 0.00 O ATOM 0 H GLY A 25 0.553 -3.013 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.817 -4.015 9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.066 -2.990 10.851 1.00 0.00 H new ATOM 390 N THR A 26 -0.738 -1.086 8.830 1.00 0.00 N ATOM 391 CA THR A 26 -0.856 0.087 7.980 1.00 0.00 C ATOM 392 C THR A 26 0.158 0.020 6.836 1.00 0.00 C ATOM 393 O THR A 26 1.045 -0.832 6.837 1.00 0.00 O ATOM 394 CB THR A 26 -0.697 1.327 8.861 1.00 0.00 C ATOM 395 OG1 THR A 26 0.710 1.436 9.057 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.254 1.120 10.271 1.00 0.00 C ATOM 0 H THR A 26 0.180 -1.212 9.257 1.00 0.00 H new ATOM 0 HA THR A 26 -1.835 0.133 7.503 1.00 0.00 H new ATOM 0 HB THR A 26 -1.202 2.172 8.392 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.044 0.624 9.492 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.116 2.030 10.854 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.317 0.885 10.212 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.727 0.297 10.753 1.00 0.00 H new ATOM 404 N ILE A 27 -0.008 0.930 5.887 1.00 0.00 N ATOM 405 CA ILE A 27 0.882 0.985 4.740 1.00 0.00 C ATOM 406 C ILE A 27 1.268 2.440 4.469 1.00 0.00 C ATOM 407 O ILE A 27 0.448 3.227 3.998 1.00 0.00 O ATOM 408 CB ILE A 27 0.248 0.283 3.537 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.034 -1.205 3.820 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.076 0.512 2.270 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.628 -1.900 2.630 1.00 0.00 C ATOM 0 H ILE A 27 -0.745 1.635 5.889 1.00 0.00 H new ATOM 0 HA ILE A 27 1.805 0.443 4.947 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.735 0.722 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.992 -1.679 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.588 -1.324 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.604 0.003 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.133 1.580 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.081 0.116 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.769 -2.957 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.596 -1.440 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.008 -1.800 1.750 1.00 0.00 H new ATOM 423 N THR A 28 2.518 2.755 4.779 1.00 0.00 N ATOM 424 CA THR A 28 3.023 4.102 4.575 1.00 0.00 C ATOM 425 C THR A 28 3.420 4.307 3.112 1.00 0.00 C ATOM 426 O THR A 28 2.838 3.697 2.216 1.00 0.00 O ATOM 427 CB THR A 28 4.176 4.328 5.555 1.00 0.00 C ATOM 428 OG1 THR A 28 4.675 5.618 5.212 1.00 0.00 O ATOM 429 CG2 THR A 28 5.357 3.390 5.295 1.00 0.00 C ATOM 0 H THR A 28 3.195 2.100 5.170 1.00 0.00 H new ATOM 0 HA THR A 28 2.254 4.848 4.778 1.00 0.00 H new ATOM 0 HB THR A 28 3.819 4.188 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.655 5.600 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.148 3.592 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.029 2.355 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.737 3.554 4.286 1.00 0.00 H new ATOM 437 N THR A 29 4.408 5.167 2.915 1.00 0.00 N ATOM 438 CA THR A 29 4.890 5.460 1.576 1.00 0.00 C ATOM 439 C THR A 29 6.032 4.514 1.201 1.00 0.00 C ATOM 440 O THR A 29 5.990 3.867 0.156 1.00 0.00 O ATOM 441 CB THR A 29 5.284 6.938 1.528 1.00 0.00 C ATOM 442 OG1 THR A 29 5.799 7.202 2.830 1.00 0.00 O ATOM 443 CG2 THR A 29 4.071 7.863 1.412 1.00 0.00 C ATOM 0 H THR A 29 4.888 5.671 3.661 1.00 0.00 H new ATOM 0 HA THR A 29 4.113 5.292 0.830 1.00 0.00 H new ATOM 0 HB THR A 29 5.953 7.109 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.080 8.139 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.406 8.900 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.523 7.632 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.419 7.717 2.273 1.00 0.00 H new ATOM 451 N LYS A 30 7.027 4.464 2.075 1.00 0.00 N ATOM 452 CA LYS A 30 8.179 3.608 1.849 1.00 0.00 C ATOM 453 C LYS A 30 7.708 2.163 1.669 1.00 0.00 C ATOM 454 O LYS A 30 8.326 1.392 0.936 1.00 0.00 O ATOM 455 CB LYS A 30 9.206 3.785 2.970 1.00 0.00 C ATOM 456 CG LYS A 30 10.616 3.449 2.479 1.00 0.00 C ATOM 457 CD LYS A 30 11.646 3.650 3.593 1.00 0.00 C ATOM 458 CE LYS A 30 12.556 2.428 3.725 1.00 0.00 C ATOM 459 NZ LYS A 30 13.946 2.845 4.017 1.00 0.00 N ATOM 0 H LYS A 30 7.059 5.002 2.941 1.00 0.00 H new ATOM 0 HA LYS A 30 8.691 3.893 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.179 4.812 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.947 3.142 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.648 2.416 2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.868 4.080 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.247 4.534 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.134 3.830 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.190 1.779 4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.531 1.847 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.550 2.003 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.298 3.446 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.968 3.380 4.909 1.00 0.00 H new ATOM 473 N GLU A 31 6.619 1.840 2.350 1.00 0.00 N ATOM 474 CA GLU A 31 6.058 0.502 2.274 1.00 0.00 C ATOM 475 C GLU A 31 5.220 0.349 1.003 1.00 0.00 C ATOM 476 O GLU A 31 4.921 -0.768 0.584 1.00 0.00 O ATOM 477 CB GLU A 31 5.228 0.184 3.520 1.00 0.00 C ATOM 478 CG GLU A 31 6.103 0.177 4.775 1.00 0.00 C ATOM 479 CD GLU A 31 5.248 0.059 6.038 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.218 -0.644 5.963 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.644 0.676 7.051 1.00 0.00 O ATOM 0 H GLU A 31 6.110 2.482 2.957 1.00 0.00 H new ATOM 0 HA GLU A 31 6.879 -0.213 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.434 0.922 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.747 -0.787 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.806 -0.655 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.694 1.092 4.816 1.00 0.00 H new ATOM 488 N LEU A 32 4.866 1.487 0.425 1.00 0.00 N ATOM 489 CA LEU A 32 4.069 1.493 -0.790 1.00 0.00 C ATOM 490 C LEU A 32 4.999 1.503 -2.005 1.00 0.00 C ATOM 491 O LEU A 32 4.655 0.970 -3.058 1.00 0.00 O ATOM 492 CB LEU A 32 3.071 2.653 -0.770 1.00 0.00 C ATOM 493 CG LEU A 32 1.852 2.504 -1.682 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.632 2.024 -0.893 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.571 3.804 -2.438 1.00 0.00 C ATOM 0 H LEU A 32 5.116 2.412 0.775 1.00 0.00 H new ATOM 0 HA LEU A 32 3.468 0.586 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.720 2.787 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.599 3.565 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 32 2.074 1.740 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.221 1.926 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.849 1.057 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.397 2.746 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.700 3.671 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.378 4.605 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.435 4.063 -3.050 1.00 0.00 H new ATOM 507 N GLY A 33 6.159 2.115 -1.817 1.00 0.00 N ATOM 508 CA GLY A 33 7.141 2.202 -2.884 1.00 0.00 C ATOM 509 C GLY A 33 8.138 1.043 -2.808 1.00 0.00 C ATOM 510 O GLY A 33 9.064 0.962 -3.613 1.00 0.00 O ATOM 0 H GLY A 33 6.441 2.555 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.636 2.189 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.674 3.150 -2.816 1.00 0.00 H new ATOM 514 N THR A 34 7.913 0.175 -1.833 1.00 0.00 N ATOM 515 CA THR A 34 8.779 -0.976 -1.640 1.00 0.00 C ATOM 516 C THR A 34 8.367 -2.116 -2.573 1.00 0.00 C ATOM 517 O THR A 34 9.214 -2.869 -3.052 1.00 0.00 O ATOM 518 CB THR A 34 8.737 -1.357 -0.159 1.00 0.00 C ATOM 519 OG1 THR A 34 9.947 -0.823 0.371 1.00 0.00 O ATOM 520 CG2 THR A 34 8.868 -2.866 0.061 1.00 0.00 C ATOM 0 H THR A 34 7.143 0.246 -1.168 1.00 0.00 H new ATOM 0 HA THR A 34 9.811 -0.742 -1.901 1.00 0.00 H new ATOM 0 HB THR A 34 7.803 -1.006 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.782 0.078 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.832 -3.082 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.048 -3.379 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.817 -3.212 -0.348 1.00 0.00 H new ATOM 528 N VAL A 35 7.065 -2.207 -2.805 1.00 0.00 N ATOM 529 CA VAL A 35 6.530 -3.243 -3.672 1.00 0.00 C ATOM 530 C VAL A 35 6.629 -2.784 -5.128 1.00 0.00 C ATOM 531 O VAL A 35 6.684 -3.608 -6.040 1.00 0.00 O ATOM 532 CB VAL A 35 5.101 -3.591 -3.251 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.294 -4.123 -4.437 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.099 -4.591 -2.094 1.00 0.00 C ATOM 0 H VAL A 35 6.365 -1.580 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 35 7.114 -4.159 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 35 4.622 -2.676 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.282 -4.363 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.253 -3.364 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.771 -5.021 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.071 -4.821 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.605 -5.506 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.620 -4.159 -1.239 1.00 0.00 H new ATOM 544 N MET A 36 6.650 -1.470 -5.301 1.00 0.00 N ATOM 545 CA MET A 36 6.741 -0.892 -6.631 1.00 0.00 C ATOM 546 C MET A 36 8.141 -1.086 -7.218 1.00 0.00 C ATOM 547 O MET A 36 8.291 -1.290 -8.422 1.00 0.00 O ATOM 548 CB MET A 36 6.419 0.602 -6.562 1.00 0.00 C ATOM 549 CG MET A 36 4.998 0.832 -6.041 1.00 0.00 C ATOM 550 SD MET A 36 4.003 1.606 -7.305 1.00 0.00 S ATOM 551 CE MET A 36 2.425 0.842 -6.968 1.00 0.00 C ATOM 0 H MET A 36 6.606 -0.790 -4.542 1.00 0.00 H new ATOM 0 HA MET A 36 6.023 -1.398 -7.277 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.135 1.102 -5.910 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.524 1.047 -7.552 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.552 -0.118 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.025 1.461 -5.152 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.682 1.216 -7.672 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.514 -0.239 -7.075 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.114 1.082 -5.951 1.00 0.00 H new ATOM 561 N ARG A 37 9.131 -1.014 -6.340 1.00 0.00 N ATOM 562 CA ARG A 37 10.513 -1.179 -6.756 1.00 0.00 C ATOM 563 C ARG A 37 10.887 -2.662 -6.781 1.00 0.00 C ATOM 564 O ARG A 37 12.065 -3.008 -6.867 1.00 0.00 O ATOM 565 CB ARG A 37 11.464 -0.436 -5.815 1.00 0.00 C ATOM 566 CG ARG A 37 11.340 -0.962 -4.383 1.00 0.00 C ATOM 567 CD ARG A 37 12.511 -1.885 -4.035 1.00 0.00 C ATOM 568 NE ARG A 37 12.021 -3.265 -3.820 1.00 0.00 N ATOM 569 CZ ARG A 37 12.745 -4.239 -3.252 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.995 -3.990 -2.840 1.00 0.00 N ATOM 571 NH2 ARG A 37 12.219 -5.461 -3.096 1.00 0.00 N ATOM 0 H ARG A 37 9.003 -0.844 -5.342 1.00 0.00 H new ATOM 0 HA ARG A 37 10.610 -0.760 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.491 -0.554 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.241 0.631 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.312 -0.125 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.400 -1.502 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.246 -1.873 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.014 -1.525 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 37 11.073 -3.489 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.395 -3.059 -2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.547 -4.731 -2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.267 -5.650 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.770 -6.202 -2.664 1.00 0.00 H new ATOM 585 N SER A 38 9.863 -3.499 -6.703 1.00 0.00 N ATOM 586 CA SER A 38 10.069 -4.937 -6.715 1.00 0.00 C ATOM 587 C SER A 38 9.426 -5.548 -7.962 1.00 0.00 C ATOM 588 O SER A 38 9.967 -6.483 -8.550 1.00 0.00 O ATOM 589 CB SER A 38 9.499 -5.587 -5.453 1.00 0.00 C ATOM 590 OG SER A 38 10.389 -6.554 -4.902 1.00 0.00 O ATOM 0 H SER A 38 8.888 -3.209 -6.631 1.00 0.00 H new ATOM 0 HA SER A 38 11.142 -5.127 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.295 -4.817 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.547 -6.063 -5.689 1.00 0.00 H new ATOM 0 HG SER A 38 10.004 -6.922 -4.079 1.00 0.00 H new ATOM 596 N LEU A 39 8.280 -4.993 -8.330 1.00 0.00 N ATOM 597 CA LEU A 39 7.558 -5.471 -9.496 1.00 0.00 C ATOM 598 C LEU A 39 8.219 -4.920 -10.761 1.00 0.00 C ATOM 599 O LEU A 39 8.938 -5.639 -11.454 1.00 0.00 O ATOM 600 CB LEU A 39 6.070 -5.130 -9.382 1.00 0.00 C ATOM 601 CG LEU A 39 5.103 -6.129 -10.019 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.886 -6.364 -9.121 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.699 -5.681 -11.425 1.00 0.00 C ATOM 0 H LEU A 39 7.834 -4.217 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 39 7.609 -6.558 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.819 -5.035 -8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.905 -4.154 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 39 5.618 -7.084 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.215 -7.078 -9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.214 -6.760 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.361 -5.421 -8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.011 -6.409 -11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.210 -4.708 -11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.587 -5.606 -12.052 1.00 0.00 H new ATOM 615 N GLY A 40 7.952 -3.649 -11.025 1.00 0.00 N ATOM 616 CA GLY A 40 8.513 -2.994 -12.195 1.00 0.00 C ATOM 617 C GLY A 40 8.219 -1.493 -12.175 1.00 0.00 C ATOM 618 O GLY A 40 8.081 -0.870 -13.227 1.00 0.00 O ATOM 0 H GLY A 40 7.355 -3.056 -10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.590 -3.157 -12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.097 -3.438 -13.099 1.00 0.00 H new ATOM 622 N GLN A 41 8.131 -0.955 -10.968 1.00 0.00 N ATOM 623 CA GLN A 41 7.856 0.462 -10.798 1.00 0.00 C ATOM 624 C GLN A 41 8.899 1.098 -9.877 1.00 0.00 C ATOM 625 O GLN A 41 9.841 0.433 -9.447 1.00 0.00 O ATOM 626 CB GLN A 41 6.441 0.685 -10.260 1.00 0.00 C ATOM 627 CG GLN A 41 5.399 0.497 -11.365 1.00 0.00 C ATOM 628 CD GLN A 41 4.549 -0.749 -11.109 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.018 -1.874 -11.160 1.00 0.00 O ATOM 630 NE2 GLN A 41 3.275 -0.487 -10.833 1.00 0.00 N ATOM 0 H GLN A 41 8.245 -1.475 -10.098 1.00 0.00 H new ATOM 0 HA GLN A 41 7.919 0.944 -11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.243 -0.013 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.360 1.690 -9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.756 1.376 -11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.898 0.409 -12.330 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.947 0.478 -10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.626 -1.252 -10.648 1.00 0.00 H new ATOM 639 N ASN A 42 8.697 2.378 -9.602 1.00 0.00 N ATOM 640 CA ASN A 42 9.608 3.112 -8.740 1.00 0.00 C ATOM 641 C ASN A 42 9.165 4.574 -8.663 1.00 0.00 C ATOM 642 O ASN A 42 9.888 5.469 -9.097 1.00 0.00 O ATOM 643 CB ASN A 42 11.035 3.078 -9.291 1.00 0.00 C ATOM 644 CG ASN A 42 12.062 3.194 -8.163 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.816 2.829 -7.025 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.223 3.720 -8.541 1.00 0.00 N ATOM 0 H ASN A 42 7.915 2.926 -9.961 1.00 0.00 H new ATOM 0 HA ASN A 42 9.590 2.645 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.195 2.149 -9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.174 3.894 -10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.974 3.839 -7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.362 4.005 -9.511 1.00 0.00 H new ATOM 653 N PRO A 43 7.947 4.776 -8.093 1.00 0.00 N ATOM 654 CA PRO A 43 7.398 6.115 -7.954 1.00 0.00 C ATOM 655 C PRO A 43 8.092 6.877 -6.823 1.00 0.00 C ATOM 656 O PRO A 43 8.380 6.307 -5.772 1.00 0.00 O ATOM 657 CB PRO A 43 5.913 5.907 -7.707 1.00 0.00 C ATOM 658 CG PRO A 43 5.763 4.464 -7.255 1.00 0.00 C ATOM 659 CD PRO A 43 7.062 3.740 -7.569 1.00 0.00 C ATOM 0 HA PRO A 43 7.558 6.730 -8.839 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.544 6.595 -6.946 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.337 6.094 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.549 4.419 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.927 3.988 -7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.482 3.275 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.906 2.946 -8.299 1.00 0.00 H new ATOM 667 N THR A 44 8.341 8.153 -7.078 1.00 0.00 N ATOM 668 CA THR A 44 8.996 8.998 -6.095 1.00 0.00 C ATOM 669 C THR A 44 8.190 9.026 -4.794 1.00 0.00 C ATOM 670 O THR A 44 7.127 8.413 -4.705 1.00 0.00 O ATOM 671 CB THR A 44 9.192 10.382 -6.717 1.00 0.00 C ATOM 672 OG1 THR A 44 7.870 10.900 -6.837 1.00 0.00 O ATOM 673 CG2 THR A 44 9.696 10.309 -8.160 1.00 0.00 C ATOM 0 H THR A 44 8.101 8.622 -7.951 1.00 0.00 H new ATOM 0 HA THR A 44 9.976 8.604 -5.826 1.00 0.00 H new ATOM 0 HB THR A 44 9.898 10.954 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.905 11.797 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.818 11.318 -8.554 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.655 9.791 -8.185 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.974 9.766 -8.770 1.00 0.00 H new ATOM 681 N GLU A 45 8.727 9.742 -3.818 1.00 0.00 N ATOM 682 CA GLU A 45 8.072 9.858 -2.526 1.00 0.00 C ATOM 683 C GLU A 45 6.847 10.768 -2.632 1.00 0.00 C ATOM 684 O GLU A 45 5.954 10.714 -1.788 1.00 0.00 O ATOM 685 CB GLU A 45 9.044 10.369 -1.461 1.00 0.00 C ATOM 686 CG GLU A 45 8.306 11.151 -0.374 1.00 0.00 C ATOM 687 CD GLU A 45 9.164 11.284 0.885 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.062 10.377 1.739 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.902 12.289 0.966 1.00 0.00 O ATOM 0 H GLU A 45 9.609 10.248 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 45 7.739 8.866 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.573 9.528 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.796 11.007 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.046 12.142 -0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.371 10.647 -0.130 1.00 0.00 H new ATOM 696 N ALA A 46 6.844 11.583 -3.676 1.00 0.00 N ATOM 697 CA ALA A 46 5.743 12.504 -3.904 1.00 0.00 C ATOM 698 C ALA A 46 4.550 11.735 -4.474 1.00 0.00 C ATOM 699 O ALA A 46 3.419 11.912 -4.023 1.00 0.00 O ATOM 700 CB ALA A 46 6.204 13.634 -4.827 1.00 0.00 C ATOM 0 H ALA A 46 7.587 11.625 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 46 5.424 12.959 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.378 14.324 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.033 14.168 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.530 13.216 -5.779 1.00 0.00 H new ATOM 706 N GLU A 47 4.842 10.898 -5.458 1.00 0.00 N ATOM 707 CA GLU A 47 3.808 10.101 -6.096 1.00 0.00 C ATOM 708 C GLU A 47 3.074 9.254 -5.054 1.00 0.00 C ATOM 709 O GLU A 47 1.855 9.352 -4.915 1.00 0.00 O ATOM 710 CB GLU A 47 4.395 9.223 -7.202 1.00 0.00 C ATOM 711 CG GLU A 47 3.294 8.455 -7.936 1.00 0.00 C ATOM 712 CD GLU A 47 2.607 9.342 -8.976 1.00 0.00 C ATOM 713 OE1 GLU A 47 2.397 10.532 -8.658 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.306 8.809 -10.066 1.00 0.00 O ATOM 0 H GLU A 47 5.781 10.754 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 47 3.089 10.777 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.945 9.843 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.109 8.520 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.721 7.579 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.558 8.093 -7.218 1.00 0.00 H new ATOM 721 N LEU A 48 3.846 8.440 -4.350 1.00 0.00 N ATOM 722 CA LEU A 48 3.284 7.576 -3.325 1.00 0.00 C ATOM 723 C LEU A 48 2.330 8.387 -2.447 1.00 0.00 C ATOM 724 O LEU A 48 1.141 8.081 -2.369 1.00 0.00 O ATOM 725 CB LEU A 48 4.399 6.879 -2.542 1.00 0.00 C ATOM 726 CG LEU A 48 5.288 5.926 -3.344 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.711 5.903 -2.784 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.674 4.526 -3.407 1.00 0.00 C ATOM 0 H LEU A 48 4.856 8.360 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 48 2.698 6.777 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.033 7.644 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.946 6.319 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 48 5.350 6.296 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.322 5.218 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.138 6.905 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.688 5.570 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.326 3.869 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.562 4.132 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.697 4.579 -3.887 1.00 0.00 H new ATOM 740 N GLN A 49 2.886 9.406 -1.808 1.00 0.00 N ATOM 741 CA GLN A 49 2.099 10.263 -0.938 1.00 0.00 C ATOM 742 C GLN A 49 0.703 10.479 -1.528 1.00 0.00 C ATOM 743 O GLN A 49 -0.289 10.478 -0.800 1.00 0.00 O ATOM 744 CB GLN A 49 2.805 11.599 -0.699 1.00 0.00 C ATOM 745 CG GLN A 49 2.263 12.290 0.553 1.00 0.00 C ATOM 746 CD GLN A 49 3.060 11.882 1.794 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.280 11.898 1.812 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.306 11.517 2.826 1.00 0.00 N ATOM 0 H GLN A 49 3.872 9.657 -1.876 1.00 0.00 H new ATOM 0 HA GLN A 49 1.993 9.768 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.877 11.434 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.667 12.247 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.311 13.371 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.213 12.031 0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.289 11.527 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.744 11.227 3.700 1.00 0.00 H new ATOM 757 N ASP A 50 0.671 10.659 -2.840 1.00 0.00 N ATOM 758 CA ASP A 50 -0.586 10.876 -3.535 1.00 0.00 C ATOM 759 C ASP A 50 -1.378 9.567 -3.568 1.00 0.00 C ATOM 760 O ASP A 50 -2.551 9.538 -3.198 1.00 0.00 O ATOM 761 CB ASP A 50 -0.348 11.320 -4.980 1.00 0.00 C ATOM 762 CG ASP A 50 -1.009 12.644 -5.367 1.00 0.00 C ATOM 763 OD1 ASP A 50 -2.248 12.633 -5.534 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.261 13.638 -5.487 1.00 0.00 O ATOM 0 H ASP A 50 1.496 10.659 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.134 11.654 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.726 11.405 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.713 10.540 -5.649 1.00 0.00 H new ATOM 769 N MET A 51 -0.706 8.516 -4.013 1.00 0.00 N ATOM 770 CA MET A 51 -1.332 7.208 -4.099 1.00 0.00 C ATOM 771 C MET A 51 -1.978 6.821 -2.767 1.00 0.00 C ATOM 772 O MET A 51 -3.010 6.153 -2.744 1.00 0.00 O ATOM 773 CB MET A 51 -0.282 6.163 -4.480 1.00 0.00 C ATOM 774 CG MET A 51 0.350 6.489 -5.835 1.00 0.00 C ATOM 775 SD MET A 51 1.891 5.608 -6.017 1.00 0.00 S ATOM 776 CE MET A 51 2.025 5.582 -7.797 1.00 0.00 C ATOM 0 H MET A 51 0.267 8.544 -4.318 1.00 0.00 H new ATOM 0 HA MET A 51 -2.110 7.248 -4.861 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.492 6.124 -3.714 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.743 5.176 -4.518 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.333 6.215 -6.639 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.523 7.562 -5.916 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.074 5.650 -8.084 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.603 4.653 -8.180 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.479 6.428 -8.215 1.00 0.00 H new ATOM 786 N ILE A 52 -1.343 7.258 -1.689 1.00 0.00 N ATOM 787 CA ILE A 52 -1.843 6.966 -0.356 1.00 0.00 C ATOM 788 C ILE A 52 -3.123 7.766 -0.110 1.00 0.00 C ATOM 789 O ILE A 52 -4.141 7.206 0.295 1.00 0.00 O ATOM 790 CB ILE A 52 -0.753 7.211 0.690 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.415 6.242 0.502 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.329 7.147 2.106 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.120 5.968 1.832 1.00 0.00 C ATOM 0 H ILE A 52 -0.487 7.812 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.105 5.911 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.361 8.218 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.051 5.305 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.126 6.658 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.534 7.324 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.100 7.909 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.763 6.162 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.946 5.276 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.504 6.903 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.412 5.529 2.535 1.00 0.00 H new ATOM 805 N ASN A 53 -3.031 9.063 -0.364 1.00 0.00 N ATOM 806 CA ASN A 53 -4.169 9.946 -0.174 1.00 0.00 C ATOM 807 C ASN A 53 -5.154 9.756 -1.330 1.00 0.00 C ATOM 808 O ASN A 53 -6.198 10.405 -1.374 1.00 0.00 O ATOM 809 CB ASN A 53 -3.733 11.412 -0.161 1.00 0.00 C ATOM 810 CG ASN A 53 -3.343 11.882 -1.564 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.850 11.409 -2.568 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.417 12.835 -1.577 1.00 0.00 N ATOM 0 H ASN A 53 -2.185 9.524 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.632 9.699 0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.543 12.032 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.888 11.538 0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.089 13.215 -2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.034 13.186 -0.699 1.00 0.00 H new ATOM 819 N GLU A 54 -4.787 8.864 -2.238 1.00 0.00 N ATOM 820 CA GLU A 54 -5.624 8.581 -3.391 1.00 0.00 C ATOM 821 C GLU A 54 -6.691 7.545 -3.030 1.00 0.00 C ATOM 822 O GLU A 54 -7.699 7.419 -3.724 1.00 0.00 O ATOM 823 CB GLU A 54 -4.782 8.110 -4.578 1.00 0.00 C ATOM 824 CG GLU A 54 -4.155 9.298 -5.311 1.00 0.00 C ATOM 825 CD GLU A 54 -4.642 9.368 -6.760 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.226 8.487 -7.542 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.420 10.302 -7.052 1.00 0.00 O ATOM 0 H GLU A 54 -3.920 8.327 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.125 9.503 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.998 7.439 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.405 7.540 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.408 10.223 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.069 9.209 -5.293 1.00 0.00 H new ATOM 834 N VAL A 55 -6.433 6.829 -1.946 1.00 0.00 N ATOM 835 CA VAL A 55 -7.358 5.809 -1.485 1.00 0.00 C ATOM 836 C VAL A 55 -7.853 6.170 -0.083 1.00 0.00 C ATOM 837 O VAL A 55 -9.043 6.058 0.208 1.00 0.00 O ATOM 838 CB VAL A 55 -6.693 4.432 -1.547 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.948 3.761 -2.898 1.00 0.00 C ATOM 840 CG2 VAL A 55 -5.193 4.535 -1.260 1.00 0.00 C ATOM 0 H VAL A 55 -5.596 6.935 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.231 5.764 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.140 3.808 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.465 2.784 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.021 3.638 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.540 4.382 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.744 3.543 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.725 5.183 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.041 4.952 -0.265 1.00 0.00 H new ATOM 850 N ASP A 56 -6.914 6.597 0.749 1.00 0.00 N ATOM 851 CA ASP A 56 -7.240 6.976 2.114 1.00 0.00 C ATOM 852 C ASP A 56 -8.129 8.221 2.094 1.00 0.00 C ATOM 853 O ASP A 56 -7.745 9.254 1.549 1.00 0.00 O ATOM 854 CB ASP A 56 -5.976 7.310 2.909 1.00 0.00 C ATOM 855 CG ASP A 56 -6.224 7.855 4.317 1.00 0.00 C ATOM 856 OD1 ASP A 56 -7.104 7.287 4.999 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.526 8.827 4.681 1.00 0.00 O ATOM 0 H ASP A 56 -5.928 6.689 0.505 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.751 6.136 2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.365 6.411 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.395 8.043 2.349 1.00 0.00 H new ATOM 862 N ALA A 57 -9.301 8.081 2.697 1.00 0.00 N ATOM 863 CA ALA A 57 -10.248 9.182 2.756 1.00 0.00 C ATOM 864 C ALA A 57 -10.288 9.739 4.180 1.00 0.00 C ATOM 865 O ALA A 57 -10.929 10.758 4.434 1.00 0.00 O ATOM 866 CB ALA A 57 -11.620 8.701 2.279 1.00 0.00 C ATOM 0 H ALA A 57 -9.616 7.222 3.149 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.938 9.991 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.331 9.526 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.543 8.343 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.965 7.891 2.921 1.00 0.00 H new ATOM 872 N ASP A 58 -9.596 9.046 5.072 1.00 0.00 N ATOM 873 CA ASP A 58 -9.545 9.458 6.465 1.00 0.00 C ATOM 874 C ASP A 58 -8.502 10.566 6.626 1.00 0.00 C ATOM 875 O ASP A 58 -8.691 11.491 7.413 1.00 0.00 O ATOM 876 CB ASP A 58 -9.141 8.293 7.370 1.00 0.00 C ATOM 877 CG ASP A 58 -7.768 8.433 8.030 1.00 0.00 C ATOM 878 OD1 ASP A 58 -7.718 9.068 9.106 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.800 7.902 7.444 1.00 0.00 O ATOM 0 H ASP A 58 -9.066 8.202 4.857 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.537 9.808 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.893 8.182 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.153 7.375 6.782 1.00 0.00 H new ATOM 884 N GLY A 59 -7.424 10.434 5.867 1.00 0.00 N ATOM 885 CA GLY A 59 -6.351 11.413 5.915 1.00 0.00 C ATOM 886 C GLY A 59 -5.460 11.189 7.139 1.00 0.00 C ATOM 887 O GLY A 59 -4.896 12.137 7.683 1.00 0.00 O ATOM 0 H GLY A 59 -7.271 9.664 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.752 11.346 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.772 12.418 5.946 1.00 0.00 H new ATOM 891 N ASN A 60 -5.360 9.928 7.535 1.00 0.00 N ATOM 892 CA ASN A 60 -4.547 9.568 8.684 1.00 0.00 C ATOM 893 C ASN A 60 -3.067 9.676 8.311 1.00 0.00 C ATOM 894 O ASN A 60 -2.213 9.824 9.183 1.00 0.00 O ATOM 895 CB ASN A 60 -4.820 8.127 9.122 1.00 0.00 C ATOM 896 CG ASN A 60 -4.445 7.138 8.016 1.00 0.00 C ATOM 897 OD1 ASN A 60 -4.292 7.490 6.858 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.306 5.884 8.437 1.00 0.00 N ATOM 0 H ASN A 60 -5.828 9.144 7.081 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.797 10.247 9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.250 7.903 10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.874 8.013 9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.057 5.149 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.449 5.658 9.421 1.00 0.00 H new ATOM 905 N GLY A 61 -2.810 9.598 7.014 1.00 0.00 N ATOM 906 CA GLY A 61 -1.448 9.685 6.514 1.00 0.00 C ATOM 907 C GLY A 61 -0.943 8.316 6.057 1.00 0.00 C ATOM 908 O GLY A 61 -0.075 8.228 5.190 1.00 0.00 O ATOM 0 H GLY A 61 -3.522 9.475 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.407 10.388 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.795 10.076 7.294 1.00 0.00 H new ATOM 912 N THR A 62 -1.508 7.280 6.661 1.00 0.00 N ATOM 913 CA THR A 62 -1.125 5.919 6.326 1.00 0.00 C ATOM 914 C THR A 62 -2.267 5.208 5.597 1.00 0.00 C ATOM 915 O THR A 62 -3.335 5.785 5.396 1.00 0.00 O ATOM 916 CB THR A 62 -0.699 5.217 7.617 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.727 5.547 8.548 1.00 0.00 O ATOM 918 CG2 THR A 62 0.565 5.828 8.226 1.00 0.00 C ATOM 0 H THR A 62 -2.228 7.356 7.380 1.00 0.00 H new ATOM 0 HA THR A 62 -0.281 5.904 5.636 1.00 0.00 H new ATOM 0 HB THR A 62 -0.530 4.159 7.416 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.531 5.130 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.824 5.293 9.140 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.387 5.749 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.386 6.878 8.458 1.00 0.00 H new ATOM 926 N ILE A 63 -2.003 3.966 5.219 1.00 0.00 N ATOM 927 CA ILE A 63 -2.995 3.170 4.516 1.00 0.00 C ATOM 928 C ILE A 63 -3.310 1.917 5.334 1.00 0.00 C ATOM 929 O ILE A 63 -2.407 1.285 5.882 1.00 0.00 O ATOM 930 CB ILE A 63 -2.529 2.873 3.089 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.429 4.158 2.266 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.434 1.834 2.423 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.510 4.202 1.184 1.00 0.00 C ATOM 0 H ILE A 63 -1.116 3.491 5.386 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.927 3.726 4.413 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.528 2.445 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.530 5.023 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.444 4.222 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.082 1.641 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.410 0.909 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.456 2.212 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.416 5.126 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.391 3.349 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.494 4.162 1.651 1.00 0.00 H new ATOM 945 N ASP A 64 -4.593 1.593 5.392 1.00 0.00 N ATOM 946 CA ASP A 64 -5.039 0.426 6.134 1.00 0.00 C ATOM 947 C ASP A 64 -5.328 -0.715 5.156 1.00 0.00 C ATOM 948 O ASP A 64 -4.992 -0.626 3.976 1.00 0.00 O ATOM 949 CB ASP A 64 -6.325 0.723 6.907 1.00 0.00 C ATOM 950 CG ASP A 64 -6.235 1.897 7.885 1.00 0.00 C ATOM 951 OD1 ASP A 64 -5.224 2.628 7.803 1.00 0.00 O ATOM 952 OD2 ASP A 64 -7.180 2.037 8.691 1.00 0.00 O ATOM 0 H ASP A 64 -5.339 2.119 4.937 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.252 0.152 6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.122 0.926 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.613 -0.171 7.461 1.00 0.00 H new ATOM 957 N PHE A 65 -5.947 -1.761 5.684 1.00 0.00 N ATOM 958 CA PHE A 65 -6.285 -2.918 4.872 1.00 0.00 C ATOM 959 C PHE A 65 -7.529 -2.648 4.024 1.00 0.00 C ATOM 960 O PHE A 65 -7.562 -2.981 2.840 1.00 0.00 O ATOM 961 CB PHE A 65 -6.580 -4.069 5.836 1.00 0.00 C ATOM 962 CG PHE A 65 -7.327 -5.241 5.196 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.793 -5.882 4.122 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.524 -5.641 5.701 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.487 -6.969 3.528 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.218 -6.728 5.107 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.684 -7.370 4.033 1.00 0.00 C ATOM 0 H PHE A 65 -6.223 -1.832 6.663 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.462 -3.152 4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.639 -4.433 6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.169 -3.688 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.842 -5.564 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.947 -5.132 6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.064 -7.478 2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.169 -7.045 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.211 -8.198 3.582 1.00 0.00 H new ATOM 977 N PRO A 66 -8.549 -2.030 4.678 1.00 0.00 N ATOM 978 CA PRO A 66 -9.792 -1.712 3.997 1.00 0.00 C ATOM 979 C PRO A 66 -9.615 -0.510 3.067 1.00 0.00 C ATOM 980 O PRO A 66 -10.345 -0.365 2.088 1.00 0.00 O ATOM 981 CB PRO A 66 -10.797 -1.460 5.109 1.00 0.00 C ATOM 982 CG PRO A 66 -9.976 -1.190 6.359 1.00 0.00 C ATOM 983 CD PRO A 66 -8.545 -1.621 6.080 1.00 0.00 C ATOM 0 HA PRO A 66 -10.133 -2.517 3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.438 -0.611 4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.449 -2.322 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.012 -0.132 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.382 -1.740 7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.844 -0.804 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.244 -2.442 6.731 1.00 0.00 H new ATOM 991 N GLU A 67 -8.641 0.322 3.407 1.00 0.00 N ATOM 992 CA GLU A 67 -8.359 1.507 2.614 1.00 0.00 C ATOM 993 C GLU A 67 -7.493 1.144 1.406 1.00 0.00 C ATOM 994 O GLU A 67 -7.464 1.875 0.417 1.00 0.00 O ATOM 995 CB GLU A 67 -7.688 2.588 3.465 1.00 0.00 C ATOM 996 CG GLU A 67 -8.409 2.758 4.803 1.00 0.00 C ATOM 997 CD GLU A 67 -7.553 3.556 5.789 1.00 0.00 C ATOM 998 OE1 GLU A 67 -6.314 3.406 5.716 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.156 4.297 6.594 1.00 0.00 O ATOM 0 H GLU A 67 -8.038 0.199 4.220 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.304 1.911 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.646 2.323 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.689 3.534 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.360 3.268 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.638 1.779 5.224 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.809 0.016 1.526 1.00 0.00 N ATOM 1007 CA PHE A 68 -5.945 -0.453 0.456 1.00 0.00 C ATOM 1008 C PHE A 68 -6.702 -1.389 -0.489 1.00 0.00 C ATOM 1009 O PHE A 68 -6.448 -1.399 -1.693 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.800 -1.227 1.112 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.251 -2.370 0.256 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -4.910 -3.558 0.205 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.104 -2.197 -0.454 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.400 -4.619 -0.589 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -2.594 -3.258 -1.248 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.253 -4.447 -1.299 1.00 0.00 C ATOM 0 H PHE A 68 -6.835 -0.587 2.348 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.582 0.393 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.989 -0.534 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.147 -1.633 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.821 -3.695 0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.581 -1.253 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.923 -5.563 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.683 -3.121 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.865 -5.254 -1.903 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.615 -2.152 0.091 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.410 -3.089 -0.684 1.00 0.00 C ATOM 1028 C LEU A 69 -8.870 -2.413 -1.977 1.00 0.00 C ATOM 1029 O LEU A 69 -8.811 -3.012 -3.050 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.558 -3.646 0.161 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.188 -4.757 1.146 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.028 -4.661 2.421 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.301 -6.134 0.487 1.00 0.00 C ATOM 0 H LEU A 69 -7.823 -2.141 1.090 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.809 -3.952 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.002 -2.824 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.327 -4.025 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.146 -4.624 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.745 -5.462 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.854 -3.697 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.084 -4.755 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.033 -6.906 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.325 -6.293 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.626 -6.185 -0.367 1.00 0.00 H new ATOM 1045 N THR A 70 -9.319 -1.175 -1.832 1.00 0.00 N ATOM 1046 CA THR A 70 -9.789 -0.411 -2.975 1.00 0.00 C ATOM 1047 C THR A 70 -8.731 -0.399 -4.081 1.00 0.00 C ATOM 1048 O THR A 70 -9.045 -0.625 -5.248 1.00 0.00 O ATOM 1049 CB THR A 70 -10.171 0.987 -2.485 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.064 1.804 -3.648 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.136 1.573 -1.522 1.00 0.00 C ATOM 0 H THR A 70 -9.367 -0.682 -0.940 1.00 0.00 H new ATOM 0 HA THR A 70 -10.673 -0.868 -3.419 1.00 0.00 H new ATOM 0 HB THR A 70 -11.143 0.946 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.296 2.729 -3.421 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.455 2.566 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.043 0.926 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.172 1.646 -2.025 1.00 0.00 H new ATOM 1059 N MET A 71 -7.499 -0.134 -3.673 1.00 0.00 N ATOM 1060 CA MET A 71 -6.392 -0.090 -4.614 1.00 0.00 C ATOM 1061 C MET A 71 -6.377 -1.336 -5.502 1.00 0.00 C ATOM 1062 O MET A 71 -6.191 -1.238 -6.713 1.00 0.00 O ATOM 1063 CB MET A 71 -5.072 0.007 -3.847 1.00 0.00 C ATOM 1064 CG MET A 71 -4.245 1.201 -4.327 1.00 0.00 C ATOM 1065 SD MET A 71 -2.666 0.641 -4.943 1.00 0.00 S ATOM 1066 CE MET A 71 -2.919 0.866 -6.696 1.00 0.00 C ATOM 0 H MET A 71 -7.242 0.052 -2.704 1.00 0.00 H new ATOM 0 HA MET A 71 -6.517 0.786 -5.251 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.274 0.105 -2.780 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.501 -0.912 -3.980 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.782 1.734 -5.111 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.096 1.904 -3.507 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.022 0.562 -7.235 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.763 0.258 -7.023 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.127 1.916 -6.902 1.00 0.00 H new ATOM 1076 N MET A 72 -6.576 -2.480 -4.863 1.00 0.00 N ATOM 1077 CA MET A 72 -6.588 -3.744 -5.579 1.00 0.00 C ATOM 1078 C MET A 72 -7.759 -3.807 -6.562 1.00 0.00 C ATOM 1079 O MET A 72 -7.601 -4.266 -7.693 1.00 0.00 O ATOM 1080 CB MET A 72 -6.699 -4.897 -4.579 1.00 0.00 C ATOM 1081 CG MET A 72 -5.564 -4.845 -3.555 1.00 0.00 C ATOM 1082 SD MET A 72 -4.616 -6.356 -3.616 1.00 0.00 S ATOM 1083 CE MET A 72 -3.250 -5.825 -4.634 1.00 0.00 C ATOM 0 H MET A 72 -6.730 -2.558 -3.858 1.00 0.00 H new ATOM 0 HA MET A 72 -5.659 -3.828 -6.143 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.659 -4.847 -4.066 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.671 -5.848 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.917 -3.992 -3.760 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.972 -4.702 -2.554 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.556 -6.654 -4.774 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.625 -5.498 -5.604 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.733 -4.998 -4.147 1.00 0.00 H new ATOM 1093 N ALA A 73 -8.907 -3.339 -6.096 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.104 -3.336 -6.920 1.00 0.00 C ATOM 1095 C ALA A 73 -9.890 -2.410 -8.119 1.00 0.00 C ATOM 1096 O ALA A 73 -10.188 -2.779 -9.254 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.308 -2.922 -6.071 1.00 0.00 C ATOM 0 H ALA A 73 -9.034 -2.959 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.306 -4.335 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.206 -2.920 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.434 -3.628 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.143 -1.923 -5.668 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.376 -1.225 -7.826 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.119 -0.243 -8.866 1.00 0.00 C ATOM 1105 C ARG A 74 -7.614 -0.099 -9.100 1.00 0.00 C ATOM 1106 O ARG A 74 -7.057 0.986 -8.934 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.703 1.121 -8.493 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.337 1.499 -7.056 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.259 3.019 -6.892 1.00 0.00 C ATOM 1110 NE ARG A 74 -8.027 3.534 -7.529 1.00 0.00 N ATOM 1111 CZ ARG A 74 -7.565 4.782 -7.370 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.230 5.649 -6.596 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -6.437 5.162 -7.987 1.00 0.00 N ATOM 0 H ARG A 74 -9.130 -0.922 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.600 -0.594 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.329 1.881 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.787 1.099 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.080 1.093 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.379 1.051 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.134 3.487 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.267 3.280 -5.834 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.496 2.900 -8.126 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.088 5.360 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.878 6.599 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.931 4.501 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.085 6.112 -7.866 1.00 0.00 H new ATOM 1127 N LYS A 75 -6.997 -1.208 -9.481 1.00 0.00 N ATOM 1128 CA LYS A 75 -5.568 -1.219 -9.739 1.00 0.00 C ATOM 1129 C LYS A 75 -5.266 -0.338 -10.952 1.00 0.00 C ATOM 1130 O LYS A 75 -4.177 0.223 -11.061 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.060 -2.655 -9.880 1.00 0.00 C ATOM 1132 CG LYS A 75 -4.538 -2.915 -11.295 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.315 -4.411 -11.531 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.727 -4.809 -12.949 1.00 0.00 C ATOM 1135 NZ LYS A 75 -6.185 -4.631 -13.134 1.00 0.00 N ATOM 1136 OXT LYS A 75 -6.250 -0.243 -11.834 1.00 0.00 O ATOM 0 H LYS A 75 -7.462 -2.106 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.025 -0.795 -8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.265 -2.836 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.865 -3.354 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.250 -2.530 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.603 -2.376 -11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.265 -4.655 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.890 -4.987 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.186 -4.203 -13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.455 -5.848 -13.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.525 -5.289 -13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.675 -4.825 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.381 -3.654 -13.431 1.00 0.00 H new