USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 690 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 73 SER OG : rot 180:sc= -0.27 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.199 K(o=-0.47,f=-3.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 17 ASN : amide:sc= -2.21 K(o=-2.2,f=-3.2) USER MOD Single : A 18 THR OG1 : rot 112:sc= -0.418 USER MOD Single : A 20 TYR OH : rot 180:sc= -3.42! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -117:sc= 1.07 (180deg=-0.131) USER MOD Single : A 39 MET CE :methyl -133:sc= 0 (180deg=-1.69!) USER MOD Single : A 40 HIS : no HD1:sc= -7.85! C(o=-7.9!,f=-6.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 59 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.3) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0423 K(o=-0.042,f=-0.94) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.507 9.324 -13.812 1.00 0.00 N ATOM 60 CA GLY A 7 6.593 8.363 -13.709 1.00 0.00 C ATOM 61 C GLY A 7 6.540 7.618 -12.373 1.00 0.00 C ATOM 62 O GLY A 7 7.356 6.733 -12.120 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.531 7.649 -14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.549 8.877 -13.805 1.00 0.00 H new ATOM 66 N LEU A 8 5.573 8.004 -11.554 1.00 0.00 N ATOM 67 CA LEU A 8 5.403 7.384 -10.251 1.00 0.00 C ATOM 68 C LEU A 8 5.107 5.894 -10.435 1.00 0.00 C ATOM 69 O LEU A 8 5.683 5.053 -9.746 1.00 0.00 O ATOM 70 CB LEU A 8 4.341 8.126 -9.439 1.00 0.00 C ATOM 71 CG LEU A 8 4.480 9.649 -9.385 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.269 10.286 -8.702 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.795 10.056 -8.717 1.00 0.00 C ATOM 0 H LEU A 8 4.899 8.739 -11.768 1.00 0.00 H new ATOM 0 HA LEU A 8 6.323 7.458 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.362 7.885 -9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.359 7.743 -8.419 1.00 0.00 H new ATOM 0 HG LEU A 8 4.508 10.026 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.393 11.369 -8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.365 10.037 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.184 9.907 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.869 11.143 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.822 9.666 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.632 9.649 -9.284 1.00 0.00 H new ATOM 85 N ARG A 9 4.210 5.612 -11.369 1.00 0.00 N ATOM 86 CA ARG A 9 3.831 4.238 -11.652 1.00 0.00 C ATOM 87 C ARG A 9 5.052 3.321 -11.563 1.00 0.00 C ATOM 88 O ARG A 9 5.067 2.375 -10.776 1.00 0.00 O ATOM 89 CB ARG A 9 3.209 4.115 -13.044 1.00 0.00 C ATOM 90 CG ARG A 9 1.922 4.935 -13.145 1.00 0.00 C ATOM 91 CD ARG A 9 0.914 4.261 -14.078 1.00 0.00 C ATOM 92 NE ARG A 9 1.257 4.552 -15.489 1.00 0.00 N ATOM 93 CZ ARG A 9 0.711 3.924 -16.539 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.207 2.967 -16.345 1.00 0.00 N ATOM 95 NH2 ARG A 9 1.083 4.253 -17.784 1.00 0.00 N ATOM 0 H ARG A 9 3.735 6.312 -11.939 1.00 0.00 H new ATOM 0 HA ARG A 9 3.093 3.937 -10.908 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.921 4.456 -13.796 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.995 3.068 -13.259 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.483 5.053 -12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.152 5.935 -13.513 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.914 3.184 -13.910 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.092 4.618 -13.859 1.00 0.00 H new ATOM 0 HE ARG A 9 1.952 5.275 -15.673 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.490 2.717 -15.398 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.622 2.489 -17.145 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.782 4.981 -17.932 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.667 3.775 -18.584 1.00 0.00 H new ATOM 109 N LYS A 10 6.048 3.633 -12.379 1.00 0.00 N ATOM 110 CA LYS A 10 7.271 2.849 -12.403 1.00 0.00 C ATOM 111 C LYS A 10 7.858 2.786 -10.991 1.00 0.00 C ATOM 112 O LYS A 10 8.210 1.710 -10.509 1.00 0.00 O ATOM 113 CB LYS A 10 8.241 3.401 -13.448 1.00 0.00 C ATOM 114 CG LYS A 10 7.655 3.284 -14.857 1.00 0.00 C ATOM 115 CD LYS A 10 7.670 1.832 -15.338 1.00 0.00 C ATOM 116 CE LYS A 10 7.043 1.710 -16.729 1.00 0.00 C ATOM 117 NZ LYS A 10 6.542 0.335 -16.952 1.00 0.00 N ATOM 0 H LYS A 10 6.033 4.419 -13.029 1.00 0.00 H new ATOM 0 HA LYS A 10 7.061 1.824 -12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.462 4.445 -13.228 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.184 2.858 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.633 3.662 -14.862 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.228 3.905 -15.546 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.696 1.464 -15.364 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.124 1.206 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.224 2.423 -16.829 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.781 1.963 -17.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.120 0.269 -17.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.331 -0.338 -16.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.823 0.107 -16.236 1.00 0.00 H new ATOM 131 N GLN A 11 7.945 3.952 -10.368 1.00 0.00 N ATOM 132 CA GLN A 11 8.484 4.043 -9.022 1.00 0.00 C ATOM 133 C GLN A 11 7.690 3.145 -8.071 1.00 0.00 C ATOM 134 O GLN A 11 8.264 2.303 -7.382 1.00 0.00 O ATOM 135 CB GLN A 11 8.489 5.492 -8.530 1.00 0.00 C ATOM 136 CG GLN A 11 9.034 6.434 -9.606 1.00 0.00 C ATOM 137 CD GLN A 11 9.982 7.470 -8.999 1.00 0.00 C ATOM 138 OE1 GLN A 11 11.188 7.292 -8.949 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.371 8.559 -8.542 1.00 0.00 N ATOM 0 H GLN A 11 7.651 4.842 -10.771 1.00 0.00 H new ATOM 0 HA GLN A 11 9.517 3.696 -9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.477 5.791 -8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.098 5.572 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.559 5.857 -10.367 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.207 6.940 -10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.357 8.644 -8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.916 9.310 -8.118 1.00 0.00 H new ATOM 148 N VAL A 12 6.381 3.354 -8.064 1.00 0.00 N ATOM 149 CA VAL A 12 5.503 2.574 -7.209 1.00 0.00 C ATOM 150 C VAL A 12 5.811 1.087 -7.391 1.00 0.00 C ATOM 151 O VAL A 12 6.128 0.392 -6.427 1.00 0.00 O ATOM 152 CB VAL A 12 4.042 2.923 -7.503 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.095 2.070 -6.657 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.780 4.414 -7.285 1.00 0.00 C ATOM 0 H VAL A 12 5.908 4.053 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 12 5.676 2.816 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 12 3.848 2.699 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.063 2.337 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.255 1.016 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.291 2.248 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.735 4.635 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.000 4.674 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.419 4.997 -7.949 1.00 0.00 H new ATOM 164 N GLU A 13 5.707 0.641 -8.635 1.00 0.00 N ATOM 165 CA GLU A 13 5.970 -0.751 -8.955 1.00 0.00 C ATOM 166 C GLU A 13 7.192 -1.252 -8.182 1.00 0.00 C ATOM 167 O GLU A 13 7.126 -2.278 -7.507 1.00 0.00 O ATOM 168 CB GLU A 13 6.159 -0.941 -10.462 1.00 0.00 C ATOM 169 CG GLU A 13 4.890 -0.558 -11.226 1.00 0.00 C ATOM 170 CD GLU A 13 4.524 -1.631 -12.253 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.091 -1.569 -13.366 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.686 -2.490 -11.903 1.00 0.00 O ATOM 0 H GLU A 13 5.444 1.220 -9.433 1.00 0.00 H new ATOM 0 HA GLU A 13 5.106 -1.342 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.994 -0.331 -10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.415 -1.980 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.066 -0.424 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.039 0.397 -11.730 1.00 0.00 H new ATOM 179 N LEU A 14 8.278 -0.504 -8.307 1.00 0.00 N ATOM 180 CA LEU A 14 9.513 -0.860 -7.628 1.00 0.00 C ATOM 181 C LEU A 14 9.252 -0.961 -6.124 1.00 0.00 C ATOM 182 O LEU A 14 9.678 -1.918 -5.479 1.00 0.00 O ATOM 183 CB LEU A 14 10.627 0.123 -7.994 1.00 0.00 C ATOM 184 CG LEU A 14 12.019 -0.210 -7.453 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.457 -1.610 -7.890 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.035 0.860 -7.857 1.00 0.00 C ATOM 0 H LEU A 14 8.329 0.346 -8.868 1.00 0.00 H new ATOM 0 HA LEU A 14 9.861 -1.839 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.687 0.186 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.345 1.112 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 14 11.970 -0.213 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.450 -1.821 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.749 -2.347 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.484 -1.659 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.016 0.599 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.088 0.919 -8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.726 1.825 -7.455 1.00 0.00 H new ATOM 198 N LEU A 15 8.554 0.040 -5.608 1.00 0.00 N ATOM 199 CA LEU A 15 8.231 0.075 -4.192 1.00 0.00 C ATOM 200 C LEU A 15 7.500 -1.213 -3.807 1.00 0.00 C ATOM 201 O LEU A 15 8.006 -2.004 -3.012 1.00 0.00 O ATOM 202 CB LEU A 15 7.454 1.348 -3.851 1.00 0.00 C ATOM 203 CG LEU A 15 6.821 1.396 -2.459 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.885 1.257 -1.368 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.980 2.662 -2.281 1.00 0.00 C ATOM 0 H LEU A 15 8.203 0.833 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 15 9.142 0.115 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.128 2.199 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.665 1.477 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 15 6.146 0.546 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.409 1.294 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.403 0.305 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.603 2.073 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.542 2.670 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.613 3.540 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.185 2.678 -3.026 1.00 0.00 H new ATOM 217 N PHE A 16 6.322 -1.383 -4.388 1.00 0.00 N ATOM 218 CA PHE A 16 5.516 -2.561 -4.117 1.00 0.00 C ATOM 219 C PHE A 16 6.331 -3.840 -4.318 1.00 0.00 C ATOM 220 O PHE A 16 6.449 -4.656 -3.404 1.00 0.00 O ATOM 221 CB PHE A 16 4.355 -2.548 -5.112 1.00 0.00 C ATOM 222 CG PHE A 16 3.289 -1.492 -4.812 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.460 -0.630 -3.775 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.170 -1.417 -5.582 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.471 0.350 -3.496 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.181 -0.437 -5.303 1.00 0.00 C ATOM 227 CZ PHE A 16 1.352 0.426 -4.266 1.00 0.00 C ATOM 0 H PHE A 16 5.906 -0.724 -5.046 1.00 0.00 H new ATOM 0 HA PHE A 16 5.166 -2.543 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.750 -2.376 -6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.885 -3.532 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.348 -0.690 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.034 -2.103 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.607 1.035 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.293 -0.377 -5.914 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.600 1.171 -4.054 1.00 0.00 H new ATOM 237 N ASN A 17 6.872 -3.977 -5.520 1.00 0.00 N ATOM 238 CA ASN A 17 7.672 -5.143 -5.852 1.00 0.00 C ATOM 239 C ASN A 17 8.779 -5.311 -4.809 1.00 0.00 C ATOM 240 O ASN A 17 8.897 -6.367 -4.189 1.00 0.00 O ATOM 241 CB ASN A 17 8.333 -4.985 -7.223 1.00 0.00 C ATOM 242 CG ASN A 17 7.314 -5.173 -8.349 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.242 -4.590 -8.354 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.708 -6.016 -9.298 1.00 0.00 N ATOM 0 H ASN A 17 6.772 -3.299 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 17 7.013 -6.011 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.787 -3.997 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.136 -5.714 -7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.099 -6.209 -10.093 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.619 -6.470 -9.231 1.00 0.00 H new ATOM 251 N THR A 18 9.562 -4.255 -4.649 1.00 0.00 N ATOM 252 CA THR A 18 10.655 -4.272 -3.692 1.00 0.00 C ATOM 253 C THR A 18 10.158 -4.743 -2.323 1.00 0.00 C ATOM 254 O THR A 18 10.748 -5.639 -1.720 1.00 0.00 O ATOM 255 CB THR A 18 11.280 -2.876 -3.663 1.00 0.00 C ATOM 256 OG1 THR A 18 11.868 -2.733 -4.953 1.00 0.00 O ATOM 257 CG2 THR A 18 12.467 -2.786 -2.701 1.00 0.00 C ATOM 0 H THR A 18 9.461 -3.382 -5.166 1.00 0.00 H new ATOM 0 HA THR A 18 11.427 -4.984 -3.986 1.00 0.00 H new ATOM 0 HB THR A 18 10.524 -2.145 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.381 -2.050 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.874 -1.775 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.136 -3.026 -1.691 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.238 -3.493 -3.008 1.00 0.00 H new ATOM 265 N ARG A 19 9.079 -4.120 -1.874 1.00 0.00 N ATOM 266 CA ARG A 19 8.497 -4.464 -0.588 1.00 0.00 C ATOM 267 C ARG A 19 8.173 -5.959 -0.535 1.00 0.00 C ATOM 268 O ARG A 19 8.510 -6.637 0.434 1.00 0.00 O ATOM 269 CB ARG A 19 7.219 -3.663 -0.330 1.00 0.00 C ATOM 270 CG ARG A 19 7.535 -2.181 -0.118 1.00 0.00 C ATOM 271 CD ARG A 19 8.042 -1.926 1.303 1.00 0.00 C ATOM 272 NE ARG A 19 8.744 -0.624 1.363 1.00 0.00 N ATOM 273 CZ ARG A 19 9.959 -0.400 0.845 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.615 -1.390 0.224 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.518 0.813 0.947 1.00 0.00 N ATOM 0 H ARG A 19 8.592 -3.379 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 19 9.228 -4.219 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.538 -3.776 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.708 -4.059 0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.286 -1.859 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.641 -1.585 -0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.206 -1.931 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.716 -2.727 1.607 1.00 0.00 H new ATOM 0 HE ARG A 19 8.273 0.152 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.189 -2.314 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.540 -1.220 -0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.019 1.567 1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.443 0.983 0.552 1.00 0.00 H new ATOM 289 N TYR A 20 7.522 -6.428 -1.590 1.00 0.00 N ATOM 290 CA TYR A 20 7.149 -7.830 -1.676 1.00 0.00 C ATOM 291 C TYR A 20 8.353 -8.735 -1.407 1.00 0.00 C ATOM 292 O TYR A 20 8.246 -9.713 -0.668 1.00 0.00 O ATOM 293 CB TYR A 20 6.670 -8.051 -3.112 1.00 0.00 C ATOM 294 CG TYR A 20 5.917 -9.367 -3.321 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.735 -9.599 -2.648 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.420 -10.320 -4.183 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.027 -10.838 -2.844 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.711 -11.558 -4.379 1.00 0.00 C ATOM 299 CZ TYR A 20 4.550 -11.756 -3.700 1.00 0.00 C ATOM 300 OH TYR A 20 3.880 -12.925 -3.886 1.00 0.00 O ATOM 0 H TYR A 20 7.244 -5.862 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 20 6.383 -8.070 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.021 -7.223 -3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.532 -8.027 -3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.341 -8.852 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.345 -10.138 -4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.102 -11.033 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.093 -12.313 -5.051 1.00 0.00 H new ATOM 0 HH TYR A 20 4.369 -13.484 -4.525 1.00 0.00 H new ATOM 310 N ALA A 21 9.471 -8.377 -2.021 1.00 0.00 N ATOM 311 CA ALA A 21 10.693 -9.145 -1.857 1.00 0.00 C ATOM 312 C ALA A 21 10.919 -9.425 -0.370 1.00 0.00 C ATOM 313 O ALA A 21 11.155 -10.567 0.021 1.00 0.00 O ATOM 314 CB ALA A 21 11.861 -8.387 -2.492 1.00 0.00 C ATOM 0 H ALA A 21 9.556 -7.565 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 21 10.613 -10.106 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.778 -8.963 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.665 -8.239 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.973 -7.418 -2.006 1.00 0.00 H new ATOM 320 N LYS A 22 10.840 -8.363 0.418 1.00 0.00 N ATOM 321 CA LYS A 22 11.033 -8.481 1.853 1.00 0.00 C ATOM 322 C LYS A 22 9.999 -9.453 2.424 1.00 0.00 C ATOM 323 O LYS A 22 10.247 -10.103 3.439 1.00 0.00 O ATOM 324 CB LYS A 22 11.008 -7.100 2.512 1.00 0.00 C ATOM 325 CG LYS A 22 11.517 -7.170 3.953 1.00 0.00 C ATOM 326 CD LYS A 22 11.658 -5.770 4.554 1.00 0.00 C ATOM 327 CE LYS A 22 12.472 -5.809 5.849 1.00 0.00 C ATOM 328 NZ LYS A 22 12.678 -4.440 6.372 1.00 0.00 N ATOM 0 H LYS A 22 10.645 -7.417 0.090 1.00 0.00 H new ATOM 0 HA LYS A 22 12.017 -8.896 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.625 -6.408 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.992 -6.706 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.829 -7.761 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.481 -7.679 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.143 -5.109 3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.670 -5.355 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.955 -6.415 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.436 -6.284 5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.232 -4.484 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.191 -3.873 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.756 -4.000 6.566 1.00 0.00 H new ATOM 342 N ALA A 23 8.862 -9.522 1.749 1.00 0.00 N ATOM 343 CA ALA A 23 7.789 -10.405 2.176 1.00 0.00 C ATOM 344 C ALA A 23 8.148 -11.848 1.816 1.00 0.00 C ATOM 345 O ALA A 23 7.550 -12.788 2.337 1.00 0.00 O ATOM 346 CB ALA A 23 6.473 -9.955 1.539 1.00 0.00 C ATOM 0 H ALA A 23 8.659 -8.981 0.909 1.00 0.00 H new ATOM 0 HA ALA A 23 7.660 -10.357 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.669 -10.617 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.249 -8.935 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.563 -9.992 0.453 1.00 0.00 H new ATOM 352 N ILE A 24 9.123 -11.978 0.929 1.00 0.00 N ATOM 353 CA ILE A 24 9.569 -13.291 0.493 1.00 0.00 C ATOM 354 C ILE A 24 11.039 -13.478 0.874 1.00 0.00 C ATOM 355 O ILE A 24 11.646 -14.494 0.541 1.00 0.00 O ATOM 356 CB ILE A 24 9.291 -13.483 -0.999 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.839 -12.310 -1.815 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.800 -13.711 -1.254 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.797 -12.617 -3.313 1.00 0.00 C ATOM 0 H ILE A 24 9.617 -11.196 0.500 1.00 0.00 H new ATOM 0 HA ILE A 24 9.006 -14.073 1.002 1.00 0.00 H new ATOM 0 HB ILE A 24 9.815 -14.379 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.255 -11.414 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.865 -12.099 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.630 -13.845 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.472 -14.603 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.235 -12.848 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.192 -11.767 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.402 -13.500 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.767 -12.803 -3.618 1.00 0.00 H new ATOM 371 N GLY A 25 11.569 -12.481 1.567 1.00 0.00 N ATOM 372 CA GLY A 25 12.956 -12.523 1.997 1.00 0.00 C ATOM 373 C GLY A 25 13.904 -12.322 0.813 1.00 0.00 C ATOM 374 O GLY A 25 15.021 -12.835 0.813 1.00 0.00 O ATOM 0 H GLY A 25 11.063 -11.639 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.132 -11.749 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.163 -13.480 2.475 1.00 0.00 H new ATOM 378 N ILE A 26 13.422 -11.574 -0.169 1.00 0.00 N ATOM 379 CA ILE A 26 14.212 -11.299 -1.357 1.00 0.00 C ATOM 380 C ILE A 26 14.814 -9.896 -1.250 1.00 0.00 C ATOM 381 O ILE A 26 14.227 -9.010 -0.631 1.00 0.00 O ATOM 382 CB ILE A 26 13.374 -11.513 -2.619 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.116 -13.002 -2.859 1.00 0.00 C ATOM 384 CG2 ILE A 26 14.024 -10.842 -3.830 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.932 -13.294 -4.350 1.00 0.00 C ATOM 0 H ILE A 26 12.494 -11.150 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 26 15.044 -11.999 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 26 12.405 -11.037 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.950 -13.586 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.226 -13.313 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.408 -11.010 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.114 -9.771 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.015 -11.266 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.750 -14.359 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.082 -12.727 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.833 -13.004 -4.891 1.00 0.00 H new ATOM 397 N SER A 27 15.978 -9.739 -1.863 1.00 0.00 N ATOM 398 CA SER A 27 16.667 -8.459 -1.845 1.00 0.00 C ATOM 399 C SER A 27 16.200 -7.597 -3.019 1.00 0.00 C ATOM 400 O SER A 27 16.031 -6.387 -2.877 1.00 0.00 O ATOM 401 CB SER A 27 18.184 -8.650 -1.895 1.00 0.00 C ATOM 402 OG SER A 27 18.862 -7.778 -0.995 1.00 0.00 O ATOM 0 H SER A 27 16.462 -10.477 -2.375 1.00 0.00 H new ATOM 0 HA SER A 27 16.423 -7.952 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.427 -9.684 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.539 -8.471 -2.910 1.00 0.00 H new ATOM 0 HG SER A 27 19.828 -7.932 -1.056 1.00 0.00 H new ATOM 408 N GLU A 28 16.005 -8.254 -4.153 1.00 0.00 N ATOM 409 CA GLU A 28 15.561 -7.563 -5.352 1.00 0.00 C ATOM 410 C GLU A 28 14.034 -7.473 -5.378 1.00 0.00 C ATOM 411 O GLU A 28 13.355 -8.163 -4.619 1.00 0.00 O ATOM 412 CB GLU A 28 16.092 -8.252 -6.610 1.00 0.00 C ATOM 413 CG GLU A 28 15.125 -9.336 -7.090 1.00 0.00 C ATOM 414 CD GLU A 28 15.857 -10.396 -7.916 1.00 0.00 C ATOM 415 OE1 GLU A 28 16.868 -10.920 -7.400 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.389 -10.659 -9.045 1.00 0.00 O ATOM 0 H GLU A 28 16.146 -9.258 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 28 15.964 -6.551 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.238 -7.514 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.066 -8.694 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.645 -9.806 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.335 -8.884 -7.690 1.00 0.00 H new ATOM 423 N PRO A 29 13.526 -6.594 -6.282 1.00 0.00 N ATOM 424 CA PRO A 29 12.091 -6.404 -6.417 1.00 0.00 C ATOM 425 C PRO A 29 11.449 -7.584 -7.151 1.00 0.00 C ATOM 426 O PRO A 29 12.004 -8.089 -8.126 1.00 0.00 O ATOM 427 CB PRO A 29 11.936 -5.088 -7.161 1.00 0.00 C ATOM 428 CG PRO A 29 13.279 -4.821 -7.820 1.00 0.00 C ATOM 429 CD PRO A 29 14.300 -5.760 -7.197 1.00 0.00 C ATOM 0 HA PRO A 29 11.580 -6.365 -5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.142 -5.151 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.669 -4.282 -6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.216 -4.986 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.576 -3.783 -7.673 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.799 -6.362 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.076 -5.207 -6.668 1.00 0.00 H new ATOM 437 N VAL A 30 10.290 -7.988 -6.654 1.00 0.00 N ATOM 438 CA VAL A 30 9.566 -9.098 -7.250 1.00 0.00 C ATOM 439 C VAL A 30 8.149 -8.646 -7.607 1.00 0.00 C ATOM 440 O VAL A 30 7.698 -7.593 -7.156 1.00 0.00 O ATOM 441 CB VAL A 30 9.589 -10.304 -6.308 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.631 -11.395 -6.790 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.010 -10.851 -6.152 1.00 0.00 C ATOM 0 H VAL A 30 9.834 -7.567 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 30 10.048 -9.415 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 30 9.249 -9.970 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.667 -12.240 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.616 -10.999 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.926 -11.724 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.998 -11.707 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.389 -11.161 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.656 -10.075 -5.741 1.00 0.00 H new ATOM 453 N LYS A 31 7.486 -9.462 -8.413 1.00 0.00 N ATOM 454 CA LYS A 31 6.130 -9.159 -8.835 1.00 0.00 C ATOM 455 C LYS A 31 5.187 -9.281 -7.636 1.00 0.00 C ATOM 456 O LYS A 31 5.433 -10.073 -6.727 1.00 0.00 O ATOM 457 CB LYS A 31 5.730 -10.036 -10.023 1.00 0.00 C ATOM 458 CG LYS A 31 6.553 -9.686 -11.265 1.00 0.00 C ATOM 459 CD LYS A 31 5.997 -10.386 -12.506 1.00 0.00 C ATOM 460 CE LYS A 31 6.945 -11.488 -12.984 1.00 0.00 C ATOM 461 NZ LYS A 31 6.509 -12.806 -12.472 1.00 0.00 N ATOM 0 H LYS A 31 7.863 -10.333 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 31 6.063 -8.131 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.876 -11.086 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.669 -9.904 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.546 -8.607 -11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.592 -9.980 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.020 -10.814 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.849 -9.658 -13.303 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.972 -11.505 -14.074 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.959 -11.276 -12.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.164 -13.542 -12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.506 -12.791 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.550 -13.013 -12.818 1.00 0.00 H new ATOM 475 N VAL A 32 4.129 -8.485 -7.672 1.00 0.00 N ATOM 476 CA VAL A 32 3.148 -8.494 -6.600 1.00 0.00 C ATOM 477 C VAL A 32 1.812 -9.006 -7.141 1.00 0.00 C ATOM 478 O VAL A 32 1.205 -8.375 -8.005 1.00 0.00 O ATOM 479 CB VAL A 32 3.046 -7.102 -5.972 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.690 -6.906 -5.292 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.194 -6.859 -4.990 1.00 0.00 C ATOM 0 H VAL A 32 3.929 -7.829 -8.427 1.00 0.00 H new ATOM 0 HA VAL A 32 3.457 -9.172 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 32 3.128 -6.366 -6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.643 -5.909 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.894 -7.016 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.565 -7.653 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.098 -5.863 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.157 -7.604 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.145 -6.936 -5.516 1.00 0.00 H new ATOM 491 N PRO A 33 1.381 -10.175 -6.596 1.00 0.00 N ATOM 492 CA PRO A 33 0.127 -10.778 -7.014 1.00 0.00 C ATOM 493 C PRO A 33 -1.068 -10.024 -6.427 1.00 0.00 C ATOM 494 O PRO A 33 -1.752 -10.531 -5.540 1.00 0.00 O ATOM 495 CB PRO A 33 0.208 -12.221 -6.543 1.00 0.00 C ATOM 496 CG PRO A 33 1.292 -12.251 -5.478 1.00 0.00 C ATOM 497 CD PRO A 33 2.073 -10.950 -5.570 1.00 0.00 C ATOM 0 HA PRO A 33 -0.022 -10.732 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.747 -12.554 -6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.453 -12.888 -7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.851 -12.362 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.953 -13.104 -5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.081 -10.425 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.113 -11.130 -5.844 1.00 0.00 H new ATOM 505 N TYR A 34 -1.282 -8.823 -6.946 1.00 0.00 N ATOM 506 CA TYR A 34 -2.382 -7.994 -6.484 1.00 0.00 C ATOM 507 C TYR A 34 -3.616 -8.843 -6.174 1.00 0.00 C ATOM 508 O TYR A 34 -4.100 -8.851 -5.043 1.00 0.00 O ATOM 509 CB TYR A 34 -2.708 -7.045 -7.639 1.00 0.00 C ATOM 510 CG TYR A 34 -1.590 -6.051 -7.962 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.815 -5.531 -6.946 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.358 -5.674 -9.269 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.237 -4.595 -7.250 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.306 -4.738 -9.573 1.00 0.00 C ATOM 515 CZ TYR A 34 0.439 -4.245 -8.548 1.00 0.00 C ATOM 516 OH TYR A 34 1.432 -3.361 -8.835 1.00 0.00 O ATOM 0 H TYR A 34 -0.712 -8.405 -7.682 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.107 -7.464 -5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.925 -7.634 -8.530 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.614 -6.490 -7.395 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.997 -5.826 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.965 -6.081 -10.064 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.851 -4.181 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.114 -4.435 -10.592 1.00 0.00 H new ATOM 0 HH TYR A 34 1.461 -3.205 -9.802 1.00 0.00 H new ATOM 526 N SER A 35 -4.090 -9.537 -7.198 1.00 0.00 N ATOM 527 CA SER A 35 -5.259 -10.387 -7.049 1.00 0.00 C ATOM 528 C SER A 35 -5.198 -11.131 -5.713 1.00 0.00 C ATOM 529 O SER A 35 -6.117 -11.034 -4.902 1.00 0.00 O ATOM 530 CB SER A 35 -5.367 -11.382 -8.206 1.00 0.00 C ATOM 531 OG SER A 35 -4.091 -11.864 -8.618 1.00 0.00 O ATOM 0 H SER A 35 -3.686 -9.528 -8.134 1.00 0.00 H new ATOM 0 HA SER A 35 -6.146 -9.754 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.992 -12.223 -7.904 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.863 -10.903 -9.050 1.00 0.00 H new ATOM 0 HG SER A 35 -4.204 -12.498 -9.357 1.00 0.00 H new ATOM 537 N LYS A 36 -4.105 -11.857 -5.526 1.00 0.00 N ATOM 538 CA LYS A 36 -3.912 -12.617 -4.303 1.00 0.00 C ATOM 539 C LYS A 36 -4.224 -11.726 -3.099 1.00 0.00 C ATOM 540 O LYS A 36 -4.874 -12.162 -2.151 1.00 0.00 O ATOM 541 CB LYS A 36 -2.511 -13.230 -4.268 1.00 0.00 C ATOM 542 CG LYS A 36 -2.310 -14.206 -5.430 1.00 0.00 C ATOM 543 CD LYS A 36 -3.132 -15.480 -5.223 1.00 0.00 C ATOM 544 CE LYS A 36 -3.729 -15.967 -6.545 1.00 0.00 C ATOM 545 NZ LYS A 36 -3.634 -17.441 -6.645 1.00 0.00 N ATOM 0 H LYS A 36 -3.344 -11.935 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.604 -13.459 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.763 -12.439 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.361 -13.750 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.602 -13.729 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.254 -14.460 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.501 -16.259 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.931 -15.289 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.772 -15.658 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.203 -15.505 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.026 -17.696 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.227 -17.823 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.583 -17.841 -6.789 1.00 0.00 H new ATOM 559 N PHE A 37 -3.745 -10.493 -3.177 1.00 0.00 N ATOM 560 CA PHE A 37 -3.964 -9.536 -2.106 1.00 0.00 C ATOM 561 C PHE A 37 -5.375 -8.948 -2.176 1.00 0.00 C ATOM 562 O PHE A 37 -5.901 -8.466 -1.174 1.00 0.00 O ATOM 563 CB PHE A 37 -2.945 -8.410 -2.296 1.00 0.00 C ATOM 564 CG PHE A 37 -1.535 -8.760 -1.816 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.765 -9.618 -2.536 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.052 -8.212 -0.669 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.544 -9.943 -2.091 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.257 -8.536 -0.223 1.00 0.00 C ATOM 569 CZ PHE A 37 1.027 -9.395 -0.944 1.00 0.00 C ATOM 0 H PHE A 37 -3.206 -10.135 -3.965 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.852 -10.027 -1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.903 -8.146 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.291 -7.526 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.149 -10.053 -3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.664 -7.530 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.155 -10.625 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.641 -8.101 0.688 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.022 -9.642 -0.605 1.00 0.00 H new ATOM 579 N LEU A 38 -5.947 -9.007 -3.369 1.00 0.00 N ATOM 580 CA LEU A 38 -7.287 -8.486 -3.583 1.00 0.00 C ATOM 581 C LEU A 38 -8.311 -9.500 -3.070 1.00 0.00 C ATOM 582 O LEU A 38 -9.131 -9.179 -2.210 1.00 0.00 O ATOM 583 CB LEU A 38 -7.484 -8.102 -5.051 1.00 0.00 C ATOM 584 CG LEU A 38 -6.586 -6.981 -5.577 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.749 -6.812 -7.089 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.841 -5.674 -4.824 1.00 0.00 C ATOM 0 H LEU A 38 -5.508 -9.407 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.434 -7.568 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.321 -8.989 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.523 -7.805 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.549 -7.261 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.100 -6.009 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.478 -7.741 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.786 -6.565 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.189 -4.894 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.882 -5.377 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.634 -5.819 -3.764 1.00 0.00 H new ATOM 598 N MET A 39 -8.232 -10.703 -3.619 1.00 0.00 N ATOM 599 CA MET A 39 -9.142 -11.766 -3.227 1.00 0.00 C ATOM 600 C MET A 39 -8.871 -12.219 -1.791 1.00 0.00 C ATOM 601 O MET A 39 -9.750 -12.777 -1.135 1.00 0.00 O ATOM 602 CB MET A 39 -8.978 -12.954 -4.176 1.00 0.00 C ATOM 603 CG MET A 39 -9.181 -12.526 -5.631 1.00 0.00 C ATOM 604 SD MET A 39 -9.276 -13.964 -6.684 1.00 0.00 S ATOM 605 CE MET A 39 -7.560 -14.457 -6.691 1.00 0.00 C ATOM 0 H MET A 39 -7.552 -10.965 -4.332 1.00 0.00 H new ATOM 0 HA MET A 39 -10.161 -11.384 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.984 -13.386 -4.056 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.697 -13.732 -3.918 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.094 -11.938 -5.721 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.357 -11.886 -5.949 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.245 -14.664 -7.714 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.949 -13.654 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.437 -15.355 -6.085 1.00 0.00 H new ATOM 615 N HIS A 40 -7.651 -11.961 -1.343 1.00 0.00 N ATOM 616 CA HIS A 40 -7.253 -12.335 0.003 1.00 0.00 C ATOM 617 C HIS A 40 -6.606 -11.136 0.699 1.00 0.00 C ATOM 618 O HIS A 40 -5.403 -11.137 0.956 1.00 0.00 O ATOM 619 CB HIS A 40 -6.345 -13.567 -0.021 1.00 0.00 C ATOM 620 CG HIS A 40 -6.789 -14.637 -0.989 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.665 -15.649 -0.638 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.468 -14.842 -2.299 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.856 -16.423 -1.696 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.113 -15.922 -2.725 1.00 0.00 N ATOM 0 H HIS A 40 -6.925 -11.497 -1.889 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.133 -12.615 0.581 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.333 -13.255 -0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.301 -13.993 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.802 -14.230 -2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.489 -17.297 -1.737 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.061 -16.312 -3.666 1.00 0.00 H new ATOM 632 N PRO A 41 -7.455 -10.114 0.991 1.00 0.00 N ATOM 633 CA PRO A 41 -6.979 -8.911 1.652 1.00 0.00 C ATOM 634 C PRO A 41 -6.721 -9.167 3.138 1.00 0.00 C ATOM 635 O PRO A 41 -5.949 -8.448 3.771 1.00 0.00 O ATOM 636 CB PRO A 41 -8.062 -7.873 1.407 1.00 0.00 C ATOM 637 CG PRO A 41 -9.308 -8.654 1.023 1.00 0.00 C ATOM 638 CD PRO A 41 -8.885 -10.078 0.701 1.00 0.00 C ATOM 0 HA PRO A 41 -6.021 -8.568 1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.237 -7.273 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.772 -7.185 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.030 -8.646 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.795 -8.196 0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.431 -10.800 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.084 -10.324 -0.342 1.00 0.00 H new ATOM 646 N GLU A 42 -7.381 -10.195 3.652 1.00 0.00 N ATOM 647 CA GLU A 42 -7.232 -10.555 5.052 1.00 0.00 C ATOM 648 C GLU A 42 -5.964 -11.385 5.254 1.00 0.00 C ATOM 649 O GLU A 42 -5.371 -11.367 6.332 1.00 0.00 O ATOM 650 CB GLU A 42 -8.466 -11.305 5.558 1.00 0.00 C ATOM 651 CG GLU A 42 -9.421 -10.360 6.289 1.00 0.00 C ATOM 652 CD GLU A 42 -9.483 -10.688 7.782 1.00 0.00 C ATOM 653 OE1 GLU A 42 -9.576 -11.895 8.094 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.435 -9.725 8.577 1.00 0.00 O ATOM 0 H GLU A 42 -8.020 -10.790 3.124 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.139 -9.639 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.982 -11.771 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.159 -12.107 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.093 -9.329 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.418 -10.437 5.855 1.00 0.00 H new ATOM 661 N GLU A 43 -5.584 -12.094 4.201 1.00 0.00 N ATOM 662 CA GLU A 43 -4.396 -12.930 4.250 1.00 0.00 C ATOM 663 C GLU A 43 -3.176 -12.147 3.761 1.00 0.00 C ATOM 664 O GLU A 43 -2.170 -12.056 4.463 1.00 0.00 O ATOM 665 CB GLU A 43 -4.591 -14.208 3.433 1.00 0.00 C ATOM 666 CG GLU A 43 -5.634 -15.120 4.082 1.00 0.00 C ATOM 667 CD GLU A 43 -7.038 -14.524 3.956 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.617 -14.663 2.857 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.500 -13.943 4.961 1.00 0.00 O ATOM 0 H GLU A 43 -6.078 -12.107 3.309 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.224 -13.223 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.905 -13.953 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.642 -14.738 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.608 -16.102 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.390 -15.266 5.134 1.00 0.00 H new ATOM 676 N LEU A 44 -3.305 -11.601 2.560 1.00 0.00 N ATOM 677 CA LEU A 44 -2.226 -10.829 1.969 1.00 0.00 C ATOM 678 C LEU A 44 -2.655 -9.366 1.853 1.00 0.00 C ATOM 679 O LEU A 44 -3.628 -9.053 1.168 1.00 0.00 O ATOM 680 CB LEU A 44 -1.789 -11.449 0.640 1.00 0.00 C ATOM 681 CG LEU A 44 -1.870 -12.975 0.553 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.905 -13.439 -0.904 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.731 -13.630 1.337 1.00 0.00 C ATOM 0 H LEU A 44 -4.141 -11.678 1.981 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.345 -10.853 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.404 -11.026 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.760 -11.148 0.442 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.804 -13.295 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.963 -14.527 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.777 -13.014 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.000 -13.107 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.812 -14.714 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.226 -13.307 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.794 -13.336 2.385 1.00 0.00 H new ATOM 695 N PHE A 45 -1.910 -8.507 2.534 1.00 0.00 N ATOM 696 CA PHE A 45 -2.202 -7.084 2.515 1.00 0.00 C ATOM 697 C PHE A 45 -0.924 -6.260 2.686 1.00 0.00 C ATOM 698 O PHE A 45 0.166 -6.817 2.813 1.00 0.00 O ATOM 699 CB PHE A 45 -3.136 -6.804 3.694 1.00 0.00 C ATOM 700 CG PHE A 45 -2.569 -7.224 5.051 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.671 -6.425 5.689 1.00 0.00 C ATOM 702 CD2 PHE A 45 -2.961 -8.395 5.620 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.144 -6.815 6.949 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.435 -8.784 6.880 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.537 -7.986 7.518 1.00 0.00 C ATOM 0 H PHE A 45 -1.105 -8.770 3.102 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.655 -6.810 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.361 -5.738 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.079 -7.325 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.359 -5.495 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.673 -9.030 5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.431 -6.181 7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.748 -9.714 7.332 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.136 -8.282 8.476 1.00 0.00 H new ATOM 715 N VAL A 46 -1.099 -4.947 2.683 1.00 0.00 N ATOM 716 CA VAL A 46 0.026 -4.041 2.836 1.00 0.00 C ATOM 717 C VAL A 46 -0.251 -3.082 3.996 1.00 0.00 C ATOM 718 O VAL A 46 -1.373 -2.606 4.158 1.00 0.00 O ATOM 719 CB VAL A 46 0.300 -3.319 1.516 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.396 -2.265 1.684 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.660 -4.314 0.411 1.00 0.00 C ATOM 0 H VAL A 46 -2.004 -4.489 2.577 1.00 0.00 H new ATOM 0 HA VAL A 46 0.932 -4.595 3.082 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.615 -2.806 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.571 -1.767 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.083 -1.530 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.316 -2.746 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.850 -3.774 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.554 -4.869 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.167 -5.009 0.264 1.00 0.00 H new ATOM 731 N VAL A 47 0.792 -2.828 4.773 1.00 0.00 N ATOM 732 CA VAL A 47 0.675 -1.934 5.913 1.00 0.00 C ATOM 733 C VAL A 47 1.633 -0.755 5.731 1.00 0.00 C ATOM 734 O VAL A 47 2.649 -0.875 5.048 1.00 0.00 O ATOM 735 CB VAL A 47 0.919 -2.707 7.211 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.219 -3.692 7.484 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.269 -3.426 7.176 1.00 0.00 C ATOM 0 H VAL A 47 1.721 -3.225 4.636 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.334 -1.527 5.977 1.00 0.00 H new ATOM 0 HB VAL A 47 0.944 -1.988 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.021 -4.228 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.159 -3.147 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.289 -4.404 6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.417 -3.967 8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.286 -4.129 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.067 -2.695 7.050 1.00 0.00 H new ATOM 747 N GLY A 48 1.274 0.359 6.353 1.00 0.00 N ATOM 748 CA GLY A 48 2.088 1.559 6.268 1.00 0.00 C ATOM 749 C GLY A 48 1.506 2.546 5.255 1.00 0.00 C ATOM 750 O GLY A 48 1.722 3.752 5.363 1.00 0.00 O ATOM 0 H GLY A 48 0.430 0.455 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.148 2.032 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.105 1.293 5.979 1.00 0.00 H new ATOM 754 N LEU A 49 0.779 1.998 4.293 1.00 0.00 N ATOM 755 CA LEU A 49 0.164 2.815 3.261 1.00 0.00 C ATOM 756 C LEU A 49 -0.411 4.083 3.896 1.00 0.00 C ATOM 757 O LEU A 49 -0.731 4.097 5.083 1.00 0.00 O ATOM 758 CB LEU A 49 -0.866 2.001 2.475 1.00 0.00 C ATOM 759 CG LEU A 49 -0.301 1.033 1.433 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.371 0.044 0.967 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.325 1.793 0.262 1.00 0.00 C ATOM 0 H LEU A 49 0.602 0.997 4.206 1.00 0.00 H new ATOM 0 HA LEU A 49 0.910 3.132 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.467 1.431 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.540 2.694 1.971 1.00 0.00 H new ATOM 0 HG LEU A 49 0.493 0.452 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.944 -0.633 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.731 -0.532 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.202 0.590 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.719 1.082 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.432 2.416 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.135 2.423 0.629 1.00 0.00 H new ATOM 773 N PRO A 50 -0.526 5.146 3.055 1.00 0.00 N ATOM 774 CA PRO A 50 -1.056 6.416 3.521 1.00 0.00 C ATOM 775 C PRO A 50 -2.574 6.345 3.696 1.00 0.00 C ATOM 776 O PRO A 50 -3.168 5.275 3.572 1.00 0.00 O ATOM 777 CB PRO A 50 -0.624 7.430 2.474 1.00 0.00 C ATOM 778 CG PRO A 50 -0.273 6.625 1.233 1.00 0.00 C ATOM 779 CD PRO A 50 -0.156 5.166 1.642 1.00 0.00 C ATOM 0 HA PRO A 50 -0.679 6.695 4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.424 8.141 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.233 8.008 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.041 6.747 0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.664 6.977 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.819 4.535 1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.857 4.793 1.493 1.00 0.00 H new ATOM 787 N GLU A 51 -3.159 7.500 3.980 1.00 0.00 N ATOM 788 CA GLU A 51 -4.597 7.583 4.173 1.00 0.00 C ATOM 789 C GLU A 51 -5.309 7.670 2.822 1.00 0.00 C ATOM 790 O GLU A 51 -4.826 8.330 1.903 1.00 0.00 O ATOM 791 CB GLU A 51 -4.963 8.771 5.064 1.00 0.00 C ATOM 792 CG GLU A 51 -6.118 8.417 6.003 1.00 0.00 C ATOM 793 CD GLU A 51 -6.915 9.665 6.386 1.00 0.00 C ATOM 794 OE1 GLU A 51 -7.460 10.298 5.457 1.00 0.00 O ATOM 795 OE2 GLU A 51 -6.961 9.958 7.601 1.00 0.00 O ATOM 0 H GLU A 51 -2.663 8.386 4.081 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.929 6.677 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.094 9.073 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.242 9.623 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.776 7.695 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.727 7.940 6.902 1.00 0.00 H new ATOM 802 N GLY A 52 -6.447 6.995 2.744 1.00 0.00 N ATOM 803 CA GLY A 52 -7.231 6.989 1.520 1.00 0.00 C ATOM 804 C GLY A 52 -6.475 6.289 0.389 1.00 0.00 C ATOM 805 O GLY A 52 -6.658 6.619 -0.782 1.00 0.00 O ATOM 0 H GLY A 52 -6.845 6.449 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.181 6.484 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.464 8.013 1.228 1.00 0.00 H new ATOM 809 N ILE A 53 -5.642 5.335 0.778 1.00 0.00 N ATOM 810 CA ILE A 53 -4.858 4.586 -0.189 1.00 0.00 C ATOM 811 C ILE A 53 -4.692 3.146 0.301 1.00 0.00 C ATOM 812 O ILE A 53 -4.522 2.909 1.496 1.00 0.00 O ATOM 813 CB ILE A 53 -3.533 5.297 -0.471 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.764 6.765 -0.835 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.732 4.559 -1.546 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.470 7.420 -1.320 1.00 0.00 C ATOM 0 H ILE A 53 -5.493 5.064 1.750 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.377 4.539 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.937 5.282 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.525 6.835 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.145 7.303 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.795 5.085 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.519 3.545 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.311 4.521 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.662 8.463 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.719 7.370 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.105 6.895 -2.203 1.00 0.00 H new ATOM 828 N SER A 54 -4.746 2.222 -0.647 1.00 0.00 N ATOM 829 CA SER A 54 -4.603 0.812 -0.326 1.00 0.00 C ATOM 830 C SER A 54 -3.672 0.137 -1.336 1.00 0.00 C ATOM 831 O SER A 54 -2.789 0.783 -1.899 1.00 0.00 O ATOM 832 CB SER A 54 -5.963 0.111 -0.307 1.00 0.00 C ATOM 833 OG SER A 54 -6.009 -0.940 0.654 1.00 0.00 O ATOM 0 H SER A 54 -4.887 2.422 -1.637 1.00 0.00 H new ATOM 0 HA SER A 54 -4.168 0.730 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.743 0.839 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.176 -0.293 -1.297 1.00 0.00 H new ATOM 0 HG SER A 54 -6.894 -1.361 0.636 1.00 0.00 H new ATOM 839 N LEU A 55 -3.901 -1.153 -1.534 1.00 0.00 N ATOM 840 CA LEU A 55 -3.094 -1.922 -2.465 1.00 0.00 C ATOM 841 C LEU A 55 -3.860 -2.089 -3.779 1.00 0.00 C ATOM 842 O LEU A 55 -4.939 -2.678 -3.802 1.00 0.00 O ATOM 843 CB LEU A 55 -2.662 -3.246 -1.833 1.00 0.00 C ATOM 844 CG LEU A 55 -1.603 -4.041 -2.600 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.285 -3.267 -2.677 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.415 -5.432 -1.991 1.00 0.00 C ATOM 0 H LEU A 55 -4.634 -1.685 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.171 -1.391 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.280 -3.041 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.545 -3.874 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.955 -4.181 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.450 -3.854 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.449 -2.319 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.084 -3.076 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.657 -5.976 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.096 -5.335 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.358 -5.977 -2.031 1.00 0.00 H new ATOM 858 N ARG A 56 -3.271 -1.559 -4.842 1.00 0.00 N ATOM 859 CA ARG A 56 -3.884 -1.642 -6.156 1.00 0.00 C ATOM 860 C ARG A 56 -2.885 -1.220 -7.236 1.00 0.00 C ATOM 861 O ARG A 56 -1.827 -0.674 -6.927 1.00 0.00 O ATOM 862 CB ARG A 56 -5.125 -0.752 -6.243 1.00 0.00 C ATOM 863 CG ARG A 56 -6.337 -1.436 -5.607 1.00 0.00 C ATOM 864 CD ARG A 56 -7.624 -1.073 -6.350 1.00 0.00 C ATOM 865 NE ARG A 56 -8.646 -2.122 -6.134 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.736 -2.276 -6.898 1.00 0.00 C ATOM 867 NH1 ARG A 56 -9.953 -1.451 -7.932 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.609 -3.256 -6.629 1.00 0.00 N ATOM 0 H ARG A 56 -2.376 -1.071 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.182 -2.678 -6.317 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.933 0.196 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.339 -0.522 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.198 -2.517 -5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.420 -1.138 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.998 -0.111 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.421 -0.966 -7.415 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.512 -2.767 -5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.288 -0.705 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.783 -1.569 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.444 -3.885 -5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.439 -3.374 -7.210 1.00 0.00 H new ATOM 882 N ARG A 57 -3.257 -1.488 -8.479 1.00 0.00 N ATOM 883 CA ARG A 57 -2.407 -1.142 -9.605 1.00 0.00 C ATOM 884 C ARG A 57 -1.991 0.327 -9.524 1.00 0.00 C ATOM 885 O ARG A 57 -2.817 1.197 -9.250 1.00 0.00 O ATOM 886 CB ARG A 57 -3.125 -1.389 -10.933 1.00 0.00 C ATOM 887 CG ARG A 57 -2.573 -2.633 -11.632 1.00 0.00 C ATOM 888 CD ARG A 57 -3.676 -3.369 -12.396 1.00 0.00 C ATOM 889 NE ARG A 57 -3.131 -3.943 -13.646 1.00 0.00 N ATOM 890 CZ ARG A 57 -3.814 -4.762 -14.457 1.00 0.00 C ATOM 891 NH1 ARG A 57 -5.072 -5.109 -14.154 1.00 0.00 N ATOM 892 NH2 ARG A 57 -3.238 -5.235 -15.571 1.00 0.00 N ATOM 0 H ARG A 57 -4.136 -1.941 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.522 -1.777 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.193 -1.511 -10.755 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.007 -0.521 -11.581 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.779 -2.345 -12.321 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.128 -3.301 -10.895 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.094 -4.161 -11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.490 -2.682 -12.627 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.175 -3.700 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.510 -4.750 -13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.592 -5.733 -14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.280 -4.971 -15.801 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.758 -5.859 -16.189 1.00 0.00 H new ATOM 906 N PRO A 58 -0.675 0.567 -9.775 1.00 0.00 N ATOM 907 CA PRO A 58 -0.139 1.916 -9.733 1.00 0.00 C ATOM 908 C PRO A 58 -0.555 2.710 -10.973 1.00 0.00 C ATOM 909 O PRO A 58 0.292 3.266 -11.671 1.00 0.00 O ATOM 910 CB PRO A 58 1.366 1.738 -9.619 1.00 0.00 C ATOM 911 CG PRO A 58 1.653 0.314 -10.068 1.00 0.00 C ATOM 912 CD PRO A 58 0.332 -0.438 -10.103 1.00 0.00 C ATOM 0 HA PRO A 58 -0.523 2.495 -8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.893 2.458 -10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.702 1.900 -8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.120 0.311 -11.053 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.350 -0.169 -9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.151 -0.874 -11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.323 -1.257 -9.384 1.00 0.00 H new ATOM 920 N ASN A 59 -1.858 2.738 -11.208 1.00 0.00 N ATOM 921 CA ASN A 59 -2.397 3.455 -12.352 1.00 0.00 C ATOM 922 C ASN A 59 -3.759 4.046 -11.983 1.00 0.00 C ATOM 923 O ASN A 59 -4.026 5.216 -12.253 1.00 0.00 O ATOM 924 CB ASN A 59 -2.596 2.518 -13.545 1.00 0.00 C ATOM 925 CG ASN A 59 -3.299 3.240 -14.697 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.302 4.456 -14.793 1.00 0.00 O ATOM 927 ND2 ASN A 59 -3.892 2.424 -15.564 1.00 0.00 N ATOM 0 H ASN A 59 -2.557 2.276 -10.626 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.689 4.239 -12.623 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.630 2.142 -13.882 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.185 1.654 -13.239 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.388 2.808 -16.369 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.851 1.414 -15.424 1.00 0.00 H new ATOM 934 N CYS A 60 -4.585 3.210 -11.370 1.00 0.00 N ATOM 935 CA CYS A 60 -5.912 3.635 -10.961 1.00 0.00 C ATOM 936 C CYS A 60 -5.764 4.828 -10.014 1.00 0.00 C ATOM 937 O CYS A 60 -6.643 5.686 -9.948 1.00 0.00 O ATOM 938 CB CYS A 60 -6.700 2.491 -10.319 1.00 0.00 C ATOM 939 SG CYS A 60 -6.923 1.132 -11.524 1.00 0.00 S ATOM 0 H CYS A 60 -4.360 2.240 -11.147 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.486 3.937 -11.837 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.173 2.124 -9.438 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.672 2.852 -9.981 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.591 0.165 -10.969 1.00 0.00 H new ATOM 945 N PHE A 61 -4.646 4.844 -9.304 1.00 0.00 N ATOM 946 CA PHE A 61 -4.371 5.917 -8.363 1.00 0.00 C ATOM 947 C PHE A 61 -4.004 7.208 -9.097 1.00 0.00 C ATOM 948 O PHE A 61 -3.776 7.196 -10.306 1.00 0.00 O ATOM 949 CB PHE A 61 -3.181 5.472 -7.512 1.00 0.00 C ATOM 950 CG PHE A 61 -3.495 4.317 -6.559 1.00 0.00 C ATOM 951 CD1 PHE A 61 -4.135 4.559 -5.384 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.133 3.047 -6.886 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.427 3.487 -4.499 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.424 1.975 -6.002 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.065 2.218 -4.827 1.00 0.00 C ATOM 0 H PHE A 61 -3.919 4.131 -9.361 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.254 6.114 -7.755 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.367 5.174 -8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.825 6.323 -6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.422 5.567 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.624 2.854 -7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.936 3.680 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.137 0.967 -6.262 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.286 1.403 -4.154 1.00 0.00 H new ATOM 965 N GLY A 62 -3.958 8.291 -8.335 1.00 0.00 N ATOM 966 CA GLY A 62 -3.622 9.588 -8.898 1.00 0.00 C ATOM 967 C GLY A 62 -2.199 10.000 -8.514 1.00 0.00 C ATOM 968 O GLY A 62 -1.679 9.566 -7.488 1.00 0.00 O ATOM 0 H GLY A 62 -4.148 8.297 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.714 9.552 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.330 10.337 -8.543 1.00 0.00 H new ATOM 972 N ILE A 63 -1.611 10.835 -9.359 1.00 0.00 N ATOM 973 CA ILE A 63 -0.259 11.310 -9.121 1.00 0.00 C ATOM 974 C ILE A 63 -0.080 11.602 -7.630 1.00 0.00 C ATOM 975 O ILE A 63 0.799 11.034 -6.984 1.00 0.00 O ATOM 976 CB ILE A 63 0.055 12.506 -10.023 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.464 12.044 -11.423 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.111 13.411 -9.386 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.633 12.350 -12.444 1.00 0.00 C ATOM 0 H ILE A 63 -2.046 11.194 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 63 0.467 10.541 -9.385 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.853 13.099 -10.132 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.389 12.540 -11.718 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.667 10.973 -11.412 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.316 14.253 -10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.743 13.782 -8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.028 12.844 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.317 12.011 -13.431 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.549 11.833 -12.160 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.816 13.424 -12.471 1.00 0.00 H new ATOM 991 N ALA A 64 -0.929 12.486 -7.126 1.00 0.00 N ATOM 992 CA ALA A 64 -0.875 12.860 -5.723 1.00 0.00 C ATOM 993 C ALA A 64 -0.774 11.596 -4.867 1.00 0.00 C ATOM 994 O ALA A 64 0.089 11.499 -3.996 1.00 0.00 O ATOM 995 CB ALA A 64 -2.102 13.705 -5.373 1.00 0.00 C ATOM 0 H ALA A 64 -1.658 12.954 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 64 0.008 13.467 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.062 13.986 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.112 14.604 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.007 13.127 -5.560 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.669 10.659 -5.144 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.691 9.405 -4.410 1.00 0.00 C ATOM 1003 C LYS A 65 -0.360 8.678 -4.610 1.00 0.00 C ATOM 1004 O LYS A 65 0.345 8.388 -3.644 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.912 8.573 -4.808 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.210 9.318 -4.492 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.424 8.404 -4.672 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.515 8.735 -3.652 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.856 8.491 -4.229 1.00 0.00 N ATOM 0 H LYS A 65 -2.384 10.743 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.795 9.591 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.870 8.345 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.896 7.621 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.180 9.691 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.304 10.186 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.820 8.514 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.120 7.363 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.381 8.127 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.429 9.777 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.585 8.721 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.987 9.090 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.940 7.491 -4.501 1.00 0.00 H new ATOM 1023 N LEU A 66 -0.054 8.405 -5.870 1.00 0.00 N ATOM 1024 CA LEU A 66 1.180 7.717 -6.209 1.00 0.00 C ATOM 1025 C LEU A 66 2.312 8.247 -5.327 1.00 0.00 C ATOM 1026 O LEU A 66 3.023 7.471 -4.690 1.00 0.00 O ATOM 1027 CB LEU A 66 1.463 7.832 -7.708 1.00 0.00 C ATOM 1028 CG LEU A 66 0.508 7.073 -8.631 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.717 7.481 -10.091 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.641 5.562 -8.434 1.00 0.00 C ATOM 0 H LEU A 66 -0.640 8.648 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 66 1.090 6.650 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.440 8.887 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.476 7.476 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.513 7.344 -8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.026 6.927 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.533 8.550 -10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.742 7.257 -10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.049 5.046 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.662 5.254 -8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.404 5.308 -7.401 1.00 0.00 H new ATOM 1042 N ARG A 67 2.445 9.565 -5.317 1.00 0.00 N ATOM 1043 CA ARG A 67 3.479 10.208 -4.524 1.00 0.00 C ATOM 1044 C ARG A 67 3.360 9.788 -3.057 1.00 0.00 C ATOM 1045 O ARG A 67 4.306 9.252 -2.482 1.00 0.00 O ATOM 1046 CB ARG A 67 3.381 11.732 -4.621 1.00 0.00 C ATOM 1047 CG ARG A 67 3.626 12.207 -6.055 1.00 0.00 C ATOM 1048 CD ARG A 67 3.726 13.732 -6.117 1.00 0.00 C ATOM 1049 NE ARG A 67 3.900 14.171 -7.520 1.00 0.00 N ATOM 1050 CZ ARG A 67 5.083 14.230 -8.146 1.00 0.00 C ATOM 1051 NH1 ARG A 67 6.203 13.879 -7.499 1.00 0.00 N ATOM 1052 NH2 ARG A 67 5.147 14.641 -9.421 1.00 0.00 N ATOM 0 H ARG A 67 1.853 10.206 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 67 4.445 9.892 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.395 12.058 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.110 12.190 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.545 11.763 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.815 11.866 -6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.827 14.181 -5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.566 14.074 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 67 3.068 14.445 -8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.155 13.567 -6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.103 13.924 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.295 14.909 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.048 14.686 -9.898 1.00 0.00 H new ATOM 1066 N LYS A 68 2.189 10.048 -2.494 1.00 0.00 N ATOM 1067 CA LYS A 68 1.934 9.704 -1.105 1.00 0.00 C ATOM 1068 C LYS A 68 2.550 8.337 -0.802 1.00 0.00 C ATOM 1069 O LYS A 68 3.406 8.219 0.074 1.00 0.00 O ATOM 1070 CB LYS A 68 0.437 9.786 -0.799 1.00 0.00 C ATOM 1071 CG LYS A 68 0.181 10.597 0.472 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.957 11.598 0.264 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.007 12.617 1.404 1.00 0.00 C ATOM 1074 NZ LYS A 68 0.001 13.680 1.194 1.00 0.00 N ATOM 0 H LYS A 68 1.407 10.493 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 68 2.411 10.424 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.085 10.245 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.031 8.781 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.067 9.924 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.089 11.128 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.821 12.116 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.907 11.067 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.002 13.058 1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.824 12.117 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.047 14.363 1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.950 13.257 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.191 14.168 0.296 1.00 0.00 H new ATOM 1088 N ILE A 69 2.091 7.339 -1.542 1.00 0.00 N ATOM 1089 CA ILE A 69 2.586 5.985 -1.363 1.00 0.00 C ATOM 1090 C ILE A 69 4.116 5.998 -1.387 1.00 0.00 C ATOM 1091 O ILE A 69 4.759 5.467 -0.483 1.00 0.00 O ATOM 1092 CB ILE A 69 1.964 5.045 -2.397 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.469 4.851 -2.132 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.714 3.713 -2.451 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.285 4.561 -3.431 1.00 0.00 C ATOM 0 H ILE A 69 1.381 7.441 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 69 2.285 5.596 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 69 2.060 5.507 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.324 4.028 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.060 5.746 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.250 3.064 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.754 3.892 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.673 3.232 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.345 4.427 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.158 5.396 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.110 3.652 -3.886 1.00 0.00 H new ATOM 1107 N LEU A 70 4.654 6.612 -2.430 1.00 0.00 N ATOM 1108 CA LEU A 70 6.096 6.702 -2.584 1.00 0.00 C ATOM 1109 C LEU A 70 6.694 7.390 -1.355 1.00 0.00 C ATOM 1110 O LEU A 70 7.810 7.076 -0.944 1.00 0.00 O ATOM 1111 CB LEU A 70 6.453 7.386 -3.905 1.00 0.00 C ATOM 1112 CG LEU A 70 6.252 6.547 -5.170 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.392 7.409 -6.426 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.202 5.348 -5.189 1.00 0.00 C ATOM 0 H LEU A 70 4.117 7.052 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 70 6.535 5.706 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.855 8.293 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.497 7.696 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 70 5.236 6.152 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.245 6.790 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.643 8.201 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.388 7.852 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.039 4.769 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.233 5.700 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.012 4.719 -4.319 1.00 0.00 H new ATOM 1126 N GLU A 71 5.924 8.316 -0.802 1.00 0.00 N ATOM 1127 CA GLU A 71 6.363 9.051 0.372 1.00 0.00 C ATOM 1128 C GLU A 71 6.243 8.176 1.622 1.00 0.00 C ATOM 1129 O GLU A 71 6.958 8.384 2.601 1.00 0.00 O ATOM 1130 CB GLU A 71 5.571 10.349 0.534 1.00 0.00 C ATOM 1131 CG GLU A 71 5.666 11.210 -0.727 1.00 0.00 C ATOM 1132 CD GLU A 71 5.825 12.690 -0.370 1.00 0.00 C ATOM 1133 OE1 GLU A 71 6.796 12.998 0.353 1.00 0.00 O ATOM 1134 OE2 GLU A 71 4.972 13.479 -0.830 1.00 0.00 O ATOM 0 H GLU A 71 4.999 8.574 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 71 7.411 9.318 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.526 10.118 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.952 10.907 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.513 10.885 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.771 11.073 -1.334 1.00 0.00 H new ATOM 1141 N ALA A 72 5.334 7.215 1.547 1.00 0.00 N ATOM 1142 CA ALA A 72 5.112 6.308 2.660 1.00 0.00 C ATOM 1143 C ALA A 72 5.718 4.943 2.329 1.00 0.00 C ATOM 1144 O ALA A 72 5.256 3.917 2.826 1.00 0.00 O ATOM 1145 CB ALA A 72 3.613 6.222 2.958 1.00 0.00 C ATOM 0 H ALA A 72 4.743 7.045 0.733 1.00 0.00 H new ATOM 0 HA ALA A 72 5.603 6.678 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.446 5.541 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.236 7.212 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.088 5.851 2.078 1.00 0.00 H new ATOM 1151 N SER A 73 6.745 4.974 1.492 1.00 0.00 N ATOM 1152 CA SER A 73 7.420 3.753 1.089 1.00 0.00 C ATOM 1153 C SER A 73 8.015 3.055 2.314 1.00 0.00 C ATOM 1154 O SER A 73 7.636 1.930 2.637 1.00 0.00 O ATOM 1155 CB SER A 73 8.514 4.042 0.059 1.00 0.00 C ATOM 1156 OG SER A 73 9.787 3.564 0.484 1.00 0.00 O ATOM 0 H SER A 73 7.126 5.827 1.082 1.00 0.00 H new ATOM 0 HA SER A 73 6.686 3.094 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.250 3.576 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.571 5.116 -0.118 1.00 0.00 H new ATOM 0 HG SER A 73 10.458 3.766 -0.201 1.00 0.00 H new ATOM 1162 N ASN A 74 8.938 3.751 2.962 1.00 0.00 N ATOM 1163 CA ASN A 74 9.589 3.213 4.144 1.00 0.00 C ATOM 1164 C ASN A 74 8.529 2.645 5.091 1.00 0.00 C ATOM 1165 O ASN A 74 8.734 1.597 5.700 1.00 0.00 O ATOM 1166 CB ASN A 74 10.358 4.303 4.894 1.00 0.00 C ATOM 1167 CG ASN A 74 11.455 4.904 4.013 1.00 0.00 C ATOM 1168 OD1 ASN A 74 11.458 4.768 2.801 1.00 0.00 O ATOM 1169 ND2 ASN A 74 12.383 5.576 4.689 1.00 0.00 N ATOM 0 H ASN A 74 9.250 4.683 2.690 1.00 0.00 H new ATOM 0 HA ASN A 74 10.284 2.438 3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.670 5.087 5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.801 3.884 5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.157 6.016 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.320 5.651 5.704 1.00 0.00 H new ATOM 1176 N SER A 75 7.420 3.363 5.185 1.00 0.00 N ATOM 1177 CA SER A 75 6.328 2.944 6.047 1.00 0.00 C ATOM 1178 C SER A 75 5.634 1.717 5.453 1.00 0.00 C ATOM 1179 O SER A 75 5.384 0.739 6.157 1.00 0.00 O ATOM 1180 CB SER A 75 5.320 4.077 6.249 1.00 0.00 C ATOM 1181 OG SER A 75 5.926 5.236 6.816 1.00 0.00 O ATOM 0 H SER A 75 7.254 4.233 4.678 1.00 0.00 H new ATOM 0 HA SER A 75 6.742 2.684 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.869 4.336 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.515 3.734 6.899 1.00 0.00 H new ATOM 0 HG SER A 75 5.250 5.937 6.928 1.00 0.00 H new ATOM 1187 N ILE A 76 5.343 1.807 4.164 1.00 0.00 N ATOM 1188 CA ILE A 76 4.683 0.715 3.468 1.00 0.00 C ATOM 1189 C ILE A 76 5.378 -0.602 3.818 1.00 0.00 C ATOM 1190 O ILE A 76 6.562 -0.613 4.151 1.00 0.00 O ATOM 1191 CB ILE A 76 4.621 0.998 1.965 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.417 1.878 1.621 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.627 -0.304 1.162 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.371 2.182 0.123 1.00 0.00 C ATOM 0 H ILE A 76 5.552 2.619 3.583 1.00 0.00 H new ATOM 0 HA ILE A 76 3.647 0.625 3.795 1.00 0.00 H new ATOM 0 HB ILE A 76 5.516 1.554 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.497 1.376 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.471 2.810 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.582 -0.075 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.540 -0.859 1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.763 -0.907 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.506 2.809 -0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.281 2.705 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.293 1.249 -0.435 1.00 0.00 H new ATOM 1206 N GLN A 77 4.612 -1.680 3.730 1.00 0.00 N ATOM 1207 CA GLN A 77 5.140 -2.999 4.033 1.00 0.00 C ATOM 1208 C GLN A 77 4.134 -4.079 3.628 1.00 0.00 C ATOM 1209 O GLN A 77 2.958 -3.999 3.978 1.00 0.00 O ATOM 1210 CB GLN A 77 5.503 -3.117 5.515 1.00 0.00 C ATOM 1211 CG GLN A 77 6.537 -4.223 5.740 1.00 0.00 C ATOM 1212 CD GLN A 77 7.181 -4.098 7.122 1.00 0.00 C ATOM 1213 OE1 GLN A 77 7.399 -3.015 7.638 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.472 -5.265 7.690 1.00 0.00 N ATOM 0 H GLN A 77 3.630 -1.667 3.453 1.00 0.00 H new ATOM 0 HA GLN A 77 6.053 -3.145 3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.898 -2.166 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.606 -3.329 6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.059 -5.198 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.306 -4.169 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.263 -6.136 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.905 -5.289 8.613 1.00 0.00 H new ATOM 1223 N PHE A 78 4.635 -5.063 2.896 1.00 0.00 N ATOM 1224 CA PHE A 78 3.795 -6.158 2.440 1.00 0.00 C ATOM 1225 C PHE A 78 3.816 -7.318 3.437 1.00 0.00 C ATOM 1226 O PHE A 78 4.746 -8.122 3.439 1.00 0.00 O ATOM 1227 CB PHE A 78 4.371 -6.637 1.106 1.00 0.00 C ATOM 1228 CG PHE A 78 4.016 -5.741 -0.083 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.275 -4.407 -0.031 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.442 -6.279 -1.192 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.946 -3.576 -1.134 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.112 -5.448 -2.296 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.371 -4.114 -2.243 1.00 0.00 C ATOM 0 H PHE A 78 5.611 -5.125 2.607 1.00 0.00 H new ATOM 0 HA PHE A 78 2.764 -5.819 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.456 -6.697 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.010 -7.646 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.731 -3.980 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.237 -7.339 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.152 -2.517 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.656 -5.875 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.120 -3.482 -3.082 1.00 0.00 H new ATOM 1243 N VAL A 79 2.779 -7.367 4.261 1.00 0.00 N ATOM 1244 CA VAL A 79 2.667 -8.415 5.260 1.00 0.00 C ATOM 1245 C VAL A 79 2.012 -9.646 4.631 1.00 0.00 C ATOM 1246 O VAL A 79 0.974 -9.537 3.980 1.00 0.00 O ATOM 1247 CB VAL A 79 1.908 -7.893 6.482 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.637 -9.020 7.481 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.665 -6.742 7.147 1.00 0.00 C ATOM 0 H VAL A 79 2.009 -6.698 4.257 1.00 0.00 H new ATOM 0 HA VAL A 79 3.654 -8.716 5.610 1.00 0.00 H new ATOM 0 HB VAL A 79 0.947 -7.509 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.097 -8.623 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.038 -9.795 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.583 -9.447 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.104 -6.390 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.647 -7.090 7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.784 -5.925 6.435 1.00 0.00 H new ATOM 1259 N ILE A 80 2.646 -10.790 4.847 1.00 0.00 N ATOM 1260 CA ILE A 80 2.138 -12.040 4.309 1.00 0.00 C ATOM 1261 C ILE A 80 1.587 -12.896 5.452 1.00 0.00 C ATOM 1262 O ILE A 80 2.253 -13.081 6.470 1.00 0.00 O ATOM 1263 CB ILE A 80 3.213 -12.742 3.478 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.973 -11.740 2.606 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.612 -13.881 2.652 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.072 -11.179 1.504 1.00 0.00 C ATOM 0 H ILE A 80 3.507 -10.877 5.387 1.00 0.00 H new ATOM 0 HA ILE A 80 1.311 -11.852 3.624 1.00 0.00 H new ATOM 0 HB ILE A 80 3.936 -13.188 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.348 -10.925 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.841 -12.226 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.398 -14.363 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.154 -14.612 3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.855 -13.481 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.636 -10.470 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.719 -11.994 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.218 -10.673 1.955 1.00 0.00 H new ATOM 1278 N LYS A 81 0.378 -13.395 5.246 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.270 -14.226 6.246 1.00 0.00 C ATOM 1280 C LYS A 81 -0.446 -15.641 5.690 1.00 0.00 C ATOM 1281 O LYS A 81 -0.217 -16.622 6.396 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.576 -13.582 6.715 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.368 -12.104 7.053 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.270 -11.896 8.566 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.595 -11.387 9.136 1.00 0.00 C ATOM 1286 NZ LYS A 81 -2.957 -12.139 10.358 1.00 0.00 N ATOM 0 H LYS A 81 -0.171 -13.240 4.400 1.00 0.00 H new ATOM 0 HA LYS A 81 0.354 -14.308 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.333 -13.678 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.952 -14.110 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.459 -11.742 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.195 -11.516 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.999 -12.835 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.476 -11.183 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.514 -10.325 9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.383 -11.493 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.859 -11.781 10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.054 -13.149 10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.213 -12.017 11.074 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.853 -15.701 4.431 1.00 0.00 N ATOM 1301 CA ARG A 82 -1.063 -16.979 3.772 1.00 0.00 C ATOM 1302 C ARG A 82 -0.492 -16.945 2.353 1.00 0.00 C ATOM 1303 O ARG A 82 -1.169 -16.523 1.417 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.552 -17.326 3.707 1.00 0.00 C ATOM 1305 CG ARG A 82 -3.197 -17.235 5.091 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.587 -17.876 5.092 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.522 -19.224 5.699 1.00 0.00 N ATOM 1308 CZ ARG A 82 -4.343 -19.451 7.007 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -4.211 -18.421 7.854 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -4.297 -20.708 7.470 1.00 0.00 N ATOM 0 H ARG A 82 -1.043 -14.885 3.849 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.548 -17.742 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.058 -16.647 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.677 -18.333 3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.563 -17.732 5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.274 -16.190 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.285 -17.251 5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.965 -17.945 4.072 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.620 -20.031 5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.247 -17.464 7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.075 -18.594 8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.398 -21.493 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.161 -20.880 8.466 1.00 0.00 H new ATOM 1324 N PRO A 83 0.782 -17.408 2.235 1.00 0.00 N ATOM 1325 CA PRO A 83 1.452 -17.434 0.947 1.00 0.00 C ATOM 1326 C PRO A 83 0.921 -18.575 0.076 1.00 0.00 C ATOM 1327 O PRO A 83 1.141 -18.591 -1.134 1.00 0.00 O ATOM 1328 CB PRO A 83 2.929 -17.576 1.274 1.00 0.00 C ATOM 1329 CG PRO A 83 2.992 -18.089 2.704 1.00 0.00 C ATOM 1330 CD PRO A 83 1.614 -17.915 3.322 1.00 0.00 C ATOM 0 HA PRO A 83 1.272 -16.532 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.416 -18.270 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.444 -16.620 1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.288 -19.138 2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.739 -17.538 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.230 -18.860 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.641 -17.217 4.159 1.00 0.00 H new ATOM 1338 N GLU A 84 0.231 -19.501 0.725 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.334 -20.642 0.026 1.00 0.00 C ATOM 1340 C GLU A 84 -1.295 -20.171 -1.068 1.00 0.00 C ATOM 1341 O GLU A 84 -1.543 -20.891 -2.034 1.00 0.00 O ATOM 1342 CB GLU A 84 -1.034 -21.591 1.000 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.286 -20.942 1.593 1.00 0.00 C ATOM 1344 CD GLU A 84 -3.098 -21.956 2.403 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.678 -22.235 3.547 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.119 -22.428 1.860 1.00 0.00 O ATOM 0 H GLU A 84 0.050 -19.484 1.729 1.00 0.00 H new ATOM 0 HA GLU A 84 0.479 -21.194 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.307 -22.511 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.348 -21.866 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.999 -20.107 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.902 -20.534 0.792 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.812 -18.966 -0.879 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.740 -18.391 -1.837 1.00 0.00 C ATOM 1355 C LEU A 85 -1.997 -18.079 -3.138 1.00 0.00 C ATOM 1356 O LEU A 85 -2.486 -18.384 -4.224 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.454 -17.180 -1.231 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.291 -17.452 0.020 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.791 -16.146 0.640 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.438 -18.417 -0.286 1.00 0.00 C ATOM 0 H LEU A 85 -1.606 -18.372 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.525 -19.106 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.705 -16.427 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.104 -16.748 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.652 -17.936 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.383 -16.368 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.939 -15.526 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.408 -15.612 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.017 -18.593 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.083 -17.984 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.032 -19.362 -0.646 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.827 -17.476 -2.983 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.012 -17.119 -4.132 1.00 0.00 C ATOM 1374 C LEU A 86 0.055 -18.308 -5.092 1.00 0.00 C ATOM 1375 O LEU A 86 -0.131 -18.149 -6.298 1.00 0.00 O ATOM 1376 CB LEU A 86 1.360 -16.616 -3.679 1.00 0.00 C ATOM 1377 CG LEU A 86 1.354 -15.536 -2.595 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.769 -15.015 -2.333 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.384 -14.408 -2.950 1.00 0.00 C ATOM 0 H LEU A 86 -0.424 -17.226 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.464 -16.292 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.934 -17.467 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.888 -16.226 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 86 0.999 -15.985 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.737 -14.249 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.404 -15.837 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.175 -14.588 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.399 -13.654 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.684 -13.953 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.624 -14.812 -3.046 1.00 0.00 H new