USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 651 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 31 SER OG : rot 180:sc= -0.345 USER MOD Set 1.2: A 32 SER OG : rot 180:sc= 0.0537 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= -1.24 X(o=-1.1,f=-0.88) USER MOD Set 3.2: A 89 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.887 K(o=-0.89,f=-6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 15:sc= 0.506 USER MOD Single : A 40 THR OG1 : rot 20:sc= 0.551 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -36:sc= 0.525 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 150:sc= 0 USER MOD Single : A 76 SER OG : rot 28:sc= 0.678 USER MOD Single : A 79 THR OG1 : rot 140:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.57) USER MOD Single : A 86 SER OG : rot -148:sc= 0.581 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 92 THR OG1 : rot 94:sc= 0.0615 USER MOD Single : A 93 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 49:sc= 0.588 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.487 7.104 3.267 1.00 0.00 N ATOM 78 CA VAL A 6 -13.231 7.702 2.838 1.00 0.00 C ATOM 79 C VAL A 6 -12.966 7.142 1.428 1.00 0.00 C ATOM 80 O VAL A 6 -13.205 5.945 1.212 1.00 0.00 O ATOM 81 CB VAL A 6 -12.107 7.309 3.827 1.00 0.00 C ATOM 82 CG1 VAL A 6 -10.750 7.871 3.396 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.366 7.768 5.271 1.00 0.00 C ATOM 0 HA VAL A 6 -13.269 8.791 2.819 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.097 6.219 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.988 7.573 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.491 7.482 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.804 8.959 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.536 7.457 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.456 8.854 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.290 7.319 5.635 1.00 0.00 H new ATOM 93 N PRO A 7 -12.478 7.930 0.454 1.00 0.00 N ATOM 94 CA PRO A 7 -12.077 7.407 -0.851 1.00 0.00 C ATOM 95 C PRO A 7 -10.850 6.496 -0.717 1.00 0.00 C ATOM 96 O PRO A 7 -9.897 6.823 -0.008 1.00 0.00 O ATOM 97 CB PRO A 7 -11.793 8.639 -1.716 1.00 0.00 C ATOM 98 CG PRO A 7 -11.422 9.717 -0.701 1.00 0.00 C ATOM 99 CD PRO A 7 -12.277 9.371 0.515 1.00 0.00 C ATOM 0 HA PRO A 7 -12.852 6.788 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.981 8.455 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.665 8.925 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.358 9.695 -0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.644 10.716 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.777 9.658 1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.229 9.901 0.489 1.00 0.00 H new ATOM 107 N GLN A 8 -10.847 5.350 -1.402 1.00 0.00 N ATOM 108 CA GLN A 8 -9.642 4.559 -1.615 1.00 0.00 C ATOM 109 C GLN A 8 -8.775 5.224 -2.683 1.00 0.00 C ATOM 110 O GLN A 8 -9.256 6.017 -3.501 1.00 0.00 O ATOM 111 CB GLN A 8 -10.001 3.133 -2.073 1.00 0.00 C ATOM 112 CG GLN A 8 -10.529 2.263 -0.930 1.00 0.00 C ATOM 113 CD GLN A 8 -10.834 0.849 -1.416 1.00 0.00 C ATOM 114 OE1 GLN A 8 -11.937 0.572 -1.881 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.910 -0.089 -1.300 1.00 0.00 N ATOM 0 H GLN A 8 -11.684 4.947 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.096 4.501 -0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.753 3.187 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.119 2.661 -2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.793 2.225 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.431 2.711 -0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.995 0.142 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.112 -1.044 -1.597 1.00 0.00 H new ATOM 124 N LEU A 9 -7.509 4.805 -2.718 1.00 0.00 N ATOM 125 CA LEU A 9 -6.603 5.021 -3.832 1.00 0.00 C ATOM 126 C LEU A 9 -7.034 4.143 -5.004 1.00 0.00 C ATOM 127 O LEU A 9 -6.453 3.091 -5.254 1.00 0.00 O ATOM 128 CB LEU A 9 -5.161 4.695 -3.409 1.00 0.00 C ATOM 129 CG LEU A 9 -4.554 5.709 -2.434 1.00 0.00 C ATOM 130 CD1 LEU A 9 -3.209 5.164 -1.950 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.386 7.077 -3.099 1.00 0.00 C ATOM 0 H LEU A 9 -7.080 4.292 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.638 6.066 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.143 3.707 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.535 4.643 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.222 5.849 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.759 5.872 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.363 4.209 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.545 5.023 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.953 7.778 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.726 6.984 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.359 7.445 -3.425 1.00 0.00 H new ATOM 143 N THR A 10 -8.040 4.585 -5.747 1.00 0.00 N ATOM 144 CA THR A 10 -8.466 3.953 -6.988 1.00 0.00 C ATOM 145 C THR A 10 -7.307 3.900 -8.003 1.00 0.00 C ATOM 146 O THR A 10 -7.268 3.007 -8.853 1.00 0.00 O ATOM 147 CB THR A 10 -9.653 4.752 -7.557 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.522 5.225 -6.540 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.488 3.951 -8.551 1.00 0.00 C ATOM 0 H THR A 10 -8.592 5.406 -5.500 1.00 0.00 H new ATOM 0 HA THR A 10 -8.772 2.925 -6.791 1.00 0.00 H new ATOM 0 HB THR A 10 -9.192 5.595 -8.072 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.259 5.727 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.309 4.568 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.862 3.646 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.891 3.066 -8.058 1.00 0.00 H new ATOM 157 N ASP A 11 -6.353 4.839 -7.931 1.00 0.00 N ATOM 158 CA ASP A 11 -5.241 4.943 -8.877 1.00 0.00 C ATOM 159 C ASP A 11 -4.016 4.145 -8.411 1.00 0.00 C ATOM 160 O ASP A 11 -2.957 4.222 -9.037 1.00 0.00 O ATOM 161 CB ASP A 11 -4.881 6.420 -9.108 1.00 0.00 C ATOM 162 CG ASP A 11 -4.449 6.699 -10.553 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.721 5.889 -11.177 1.00 0.00 O ATOM 164 OD2 ASP A 11 -4.888 7.732 -11.110 1.00 0.00 O ATOM 0 H ASP A 11 -6.335 5.555 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.563 4.506 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.741 7.043 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.077 6.705 -8.430 1.00 0.00 H new ATOM 169 N LEU A 12 -4.133 3.395 -7.309 1.00 0.00 N ATOM 170 CA LEU A 12 -3.092 2.494 -6.809 1.00 0.00 C ATOM 171 C LEU A 12 -2.613 1.584 -7.940 1.00 0.00 C ATOM 172 O LEU A 12 -3.424 0.959 -8.624 1.00 0.00 O ATOM 173 CB LEU A 12 -3.666 1.700 -5.618 1.00 0.00 C ATOM 174 CG LEU A 12 -2.757 0.746 -4.818 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.449 -0.588 -5.514 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.485 1.443 -4.325 1.00 0.00 C ATOM 0 H LEU A 12 -4.972 3.399 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.223 3.053 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.076 2.424 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.503 1.111 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.349 0.471 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.804 -1.191 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.379 -1.125 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.945 -0.396 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.874 0.733 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.919 1.815 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.755 2.278 -3.678 1.00 0.00 H new ATOM 188 N SER A 13 -1.303 1.507 -8.144 1.00 0.00 N ATOM 189 CA SER A 13 -0.656 0.486 -8.942 1.00 0.00 C ATOM 190 C SER A 13 0.743 0.205 -8.411 1.00 0.00 C ATOM 191 O SER A 13 1.292 0.971 -7.623 1.00 0.00 O ATOM 192 CB SER A 13 -0.681 0.866 -10.431 1.00 0.00 C ATOM 193 OG SER A 13 -0.255 2.195 -10.704 1.00 0.00 O ATOM 0 H SER A 13 -0.646 2.177 -7.744 1.00 0.00 H new ATOM 0 HA SER A 13 -1.211 -0.448 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.045 0.173 -10.981 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.695 0.737 -10.810 1.00 0.00 H new ATOM 0 HG SER A 13 -0.297 2.360 -11.669 1.00 0.00 H new ATOM 199 N PHE A 14 1.327 -0.911 -8.825 1.00 0.00 N ATOM 200 CA PHE A 14 2.698 -1.297 -8.564 1.00 0.00 C ATOM 201 C PHE A 14 3.392 -1.361 -9.929 1.00 0.00 C ATOM 202 O PHE A 14 2.745 -1.685 -10.931 1.00 0.00 O ATOM 203 CB PHE A 14 2.687 -2.654 -7.863 1.00 0.00 C ATOM 204 CG PHE A 14 1.835 -2.807 -6.605 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.491 -1.710 -5.783 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.434 -4.096 -6.209 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.701 -1.897 -4.634 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.684 -4.274 -5.033 1.00 0.00 C ATOM 209 CZ PHE A 14 0.287 -3.178 -4.260 1.00 0.00 C ATOM 0 H PHE A 14 0.827 -1.605 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 14 3.227 -0.596 -7.918 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.353 -3.399 -8.585 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.716 -2.902 -7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.838 -0.720 -6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.703 -4.952 -6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.413 -1.045 -4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.411 -5.271 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.331 -3.320 -3.386 1.00 0.00 H new ATOM 219 N VAL A 15 4.675 -1.022 -9.994 1.00 0.00 N ATOM 220 CA VAL A 15 5.497 -1.087 -11.200 1.00 0.00 C ATOM 221 C VAL A 15 6.930 -1.470 -10.815 1.00 0.00 C ATOM 222 O VAL A 15 7.310 -1.325 -9.656 1.00 0.00 O ATOM 223 CB VAL A 15 5.507 0.280 -11.914 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.288 0.457 -12.830 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.631 1.499 -10.981 1.00 0.00 C ATOM 0 H VAL A 15 5.190 -0.683 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 15 5.081 -1.835 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 15 6.418 0.254 -12.511 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.335 1.433 -13.313 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.287 -0.324 -13.590 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.375 0.388 -12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.629 2.413 -11.575 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.789 1.514 -10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.562 1.433 -10.419 1.00 0.00 H new ATOM 235 N ASP A 16 7.742 -1.890 -11.785 1.00 0.00 N ATOM 236 CA ASP A 16 9.097 -2.422 -11.612 1.00 0.00 C ATOM 237 C ASP A 16 9.117 -3.433 -10.472 1.00 0.00 C ATOM 238 O ASP A 16 9.791 -3.293 -9.450 1.00 0.00 O ATOM 239 CB ASP A 16 10.161 -1.312 -11.548 1.00 0.00 C ATOM 240 CG ASP A 16 10.878 -1.225 -12.891 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.281 -0.645 -13.830 1.00 0.00 O ATOM 242 OD2 ASP A 16 11.960 -1.835 -13.036 1.00 0.00 O ATOM 0 H ASP A 16 7.459 -1.868 -12.765 1.00 0.00 H new ATOM 0 HA ASP A 16 9.388 -2.980 -12.502 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.693 -0.357 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.877 -1.523 -10.753 1.00 0.00 H new ATOM 247 N ILE A 17 8.301 -4.462 -10.678 1.00 0.00 N ATOM 248 CA ILE A 17 8.152 -5.674 -9.891 1.00 0.00 C ATOM 249 C ILE A 17 9.407 -6.517 -10.178 1.00 0.00 C ATOM 250 O ILE A 17 9.380 -7.456 -10.978 1.00 0.00 O ATOM 251 CB ILE A 17 6.804 -6.354 -10.250 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.587 -5.395 -10.156 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.546 -7.548 -9.320 1.00 0.00 C ATOM 254 CD1 ILE A 17 4.392 -5.806 -11.010 1.00 0.00 C ATOM 0 H ILE A 17 7.668 -4.465 -11.478 1.00 0.00 H new ATOM 0 HA ILE A 17 8.097 -5.504 -8.816 1.00 0.00 H new ATOM 0 HB ILE A 17 6.900 -6.675 -11.287 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.269 -5.332 -9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.904 -4.395 -10.454 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.597 -8.016 -9.583 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.351 -8.275 -9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.506 -7.203 -8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.588 -5.081 -10.884 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.689 -5.840 -12.058 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.044 -6.791 -10.699 1.00 0.00 H new ATOM 266 N THR A 18 10.557 -6.016 -9.739 1.00 0.00 N ATOM 267 CA THR A 18 11.873 -6.622 -9.917 1.00 0.00 C ATOM 268 C THR A 18 12.228 -7.467 -8.676 1.00 0.00 C ATOM 269 O THR A 18 11.640 -7.312 -7.610 1.00 0.00 O ATOM 270 CB THR A 18 12.853 -5.477 -10.269 1.00 0.00 C ATOM 271 OG1 THR A 18 13.975 -5.902 -11.034 1.00 0.00 O ATOM 272 CG2 THR A 18 13.340 -4.657 -9.072 1.00 0.00 C ATOM 0 H THR A 18 10.599 -5.136 -9.226 1.00 0.00 H new ATOM 0 HA THR A 18 11.918 -7.336 -10.739 1.00 0.00 H new ATOM 0 HB THR A 18 12.236 -4.822 -10.884 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.552 -5.133 -11.224 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.021 -3.879 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.486 -4.197 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.860 -5.310 -8.371 1.00 0.00 H new ATOM 280 N ASP A 19 13.243 -8.331 -8.766 1.00 0.00 N ATOM 281 CA ASP A 19 13.566 -9.377 -7.776 1.00 0.00 C ATOM 282 C ASP A 19 14.215 -8.823 -6.489 1.00 0.00 C ATOM 283 O ASP A 19 14.744 -9.597 -5.686 1.00 0.00 O ATOM 284 CB ASP A 19 14.542 -10.422 -8.375 1.00 0.00 C ATOM 285 CG ASP A 19 14.231 -10.912 -9.787 1.00 0.00 C ATOM 286 OD1 ASP A 19 14.418 -10.103 -10.732 1.00 0.00 O ATOM 287 OD2 ASP A 19 13.895 -12.101 -9.982 1.00 0.00 O ATOM 0 H ASP A 19 13.888 -8.326 -9.556 1.00 0.00 H new ATOM 0 HA ASP A 19 12.609 -9.830 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.544 -9.992 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.566 -11.286 -7.711 1.00 0.00 H new ATOM 292 N SER A 20 14.315 -7.495 -6.354 1.00 0.00 N ATOM 293 CA SER A 20 14.968 -6.795 -5.241 1.00 0.00 C ATOM 294 C SER A 20 14.128 -5.740 -4.521 1.00 0.00 C ATOM 295 O SER A 20 14.527 -5.185 -3.497 1.00 0.00 O ATOM 296 CB SER A 20 16.277 -6.211 -5.763 1.00 0.00 C ATOM 297 OG SER A 20 16.035 -5.086 -6.599 1.00 0.00 O ATOM 0 H SER A 20 13.927 -6.853 -7.045 1.00 0.00 H new ATOM 0 HA SER A 20 15.137 -7.535 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.908 -5.917 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.822 -6.972 -6.321 1.00 0.00 H new ATOM 0 HG SER A 20 16.889 -4.728 -6.920 1.00 0.00 H new ATOM 303 N SER A 21 13.004 -5.365 -5.108 1.00 0.00 N ATOM 304 CA SER A 21 12.211 -4.223 -4.722 1.00 0.00 C ATOM 305 C SER A 21 10.929 -4.215 -5.536 1.00 0.00 C ATOM 306 O SER A 21 10.902 -4.699 -6.667 1.00 0.00 O ATOM 307 CB SER A 21 12.990 -2.907 -4.933 1.00 0.00 C ATOM 308 OG SER A 21 13.903 -2.949 -6.026 1.00 0.00 O ATOM 0 H SER A 21 12.608 -5.873 -5.899 1.00 0.00 H new ATOM 0 HA SER A 21 11.974 -4.298 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.279 -2.097 -5.096 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.539 -2.670 -4.022 1.00 0.00 H new ATOM 0 HG SER A 21 14.360 -2.086 -6.104 1.00 0.00 H new ATOM 314 N ILE A 22 9.879 -3.635 -4.967 1.00 0.00 N ATOM 315 CA ILE A 22 8.577 -3.533 -5.611 1.00 0.00 C ATOM 316 C ILE A 22 8.242 -2.043 -5.577 1.00 0.00 C ATOM 317 O ILE A 22 8.281 -1.400 -4.520 1.00 0.00 O ATOM 318 CB ILE A 22 7.598 -4.544 -4.944 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.676 -5.336 -5.901 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.823 -3.944 -3.762 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.203 -4.919 -5.951 1.00 0.00 C ATOM 0 H ILE A 22 9.909 -3.218 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 22 8.523 -3.833 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 22 8.275 -5.301 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.085 -5.257 -6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.721 -6.388 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.159 -4.699 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.525 -3.612 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.234 -3.094 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.669 -5.553 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.760 -5.028 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.130 -3.879 -6.268 1.00 0.00 H new ATOM 333 N GLY A 23 8.014 -1.449 -6.743 1.00 0.00 N ATOM 334 CA GLY A 23 7.680 -0.041 -6.846 1.00 0.00 C ATOM 335 C GLY A 23 6.178 0.134 -6.703 1.00 0.00 C ATOM 336 O GLY A 23 5.412 -0.753 -7.091 1.00 0.00 O ATOM 0 H GLY A 23 8.056 -1.933 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.198 0.524 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.013 0.354 -7.806 1.00 0.00 H new ATOM 340 N LEU A 24 5.741 1.289 -6.206 1.00 0.00 N ATOM 341 CA LEU A 24 4.344 1.676 -6.073 1.00 0.00 C ATOM 342 C LEU A 24 4.110 2.996 -6.779 1.00 0.00 C ATOM 343 O LEU A 24 4.984 3.866 -6.817 1.00 0.00 O ATOM 344 CB LEU A 24 3.955 1.909 -4.610 1.00 0.00 C ATOM 345 CG LEU A 24 3.856 0.643 -3.752 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.920 0.657 -2.662 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.489 0.544 -3.068 1.00 0.00 C ATOM 0 H LEU A 24 6.381 2.010 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 24 3.754 0.865 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.687 2.579 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.994 2.423 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 24 3.999 -0.208 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.837 -0.248 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.909 0.700 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.777 1.530 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.448 -0.364 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.340 1.412 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.705 0.513 -3.825 1.00 0.00 H new ATOM 359 N ARG A 25 2.870 3.190 -7.212 1.00 0.00 N ATOM 360 CA ARG A 25 2.342 4.433 -7.726 1.00 0.00 C ATOM 361 C ARG A 25 0.924 4.567 -7.180 1.00 0.00 C ATOM 362 O ARG A 25 0.219 3.571 -7.058 1.00 0.00 O ATOM 363 CB ARG A 25 2.369 4.312 -9.253 1.00 0.00 C ATOM 364 CG ARG A 25 2.167 5.637 -9.988 1.00 0.00 C ATOM 365 CD ARG A 25 1.907 5.339 -11.476 1.00 0.00 C ATOM 366 NE ARG A 25 0.809 6.149 -12.022 1.00 0.00 N ATOM 367 CZ ARG A 25 -0.483 6.030 -11.684 1.00 0.00 C ATOM 368 NH1 ARG A 25 -0.904 5.095 -10.835 1.00 0.00 N ATOM 369 NH2 ARG A 25 -1.387 6.831 -12.233 1.00 0.00 N ATOM 0 H ARG A 25 2.176 2.442 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 25 2.909 5.316 -7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.324 3.883 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.592 3.614 -9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.327 6.183 -9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.048 6.269 -9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.816 5.530 -12.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.671 4.282 -11.597 1.00 0.00 H new ATOM 0 HE ARG A 25 1.049 6.859 -12.714 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.237 4.444 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.894 5.030 -10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.099 7.536 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.370 6.742 -11.977 1.00 0.00 H new ATOM 383 N TRP A 26 0.467 5.767 -6.874 1.00 0.00 N ATOM 384 CA TRP A 26 -0.938 6.088 -6.661 1.00 0.00 C ATOM 385 C TRP A 26 -1.063 7.596 -6.830 1.00 0.00 C ATOM 386 O TRP A 26 -0.046 8.290 -6.858 1.00 0.00 O ATOM 387 CB TRP A 26 -1.398 5.638 -5.265 1.00 0.00 C ATOM 388 CG TRP A 26 -0.672 6.251 -4.104 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.995 7.412 -3.481 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.511 5.739 -3.412 1.00 0.00 C ATOM 391 NE1 TRP A 26 -0.081 7.655 -2.481 1.00 0.00 N ATOM 392 CE2 TRP A 26 0.880 6.677 -2.410 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.282 4.556 -3.471 1.00 0.00 C ATOM 394 CZ2 TRP A 26 1.975 6.483 -1.558 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.421 4.386 -2.658 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.802 5.359 -1.727 1.00 0.00 C ATOM 0 H TRP A 26 1.081 6.574 -6.762 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.576 5.565 -7.374 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.460 5.863 -5.164 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.294 4.555 -5.202 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.835 8.044 -3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.114 8.467 -1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.993 3.768 -4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.183 7.195 -0.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.011 3.487 -2.756 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.710 5.249 -1.152 1.00 0.00 H new ATOM 407 N THR A 27 -2.274 8.146 -6.914 1.00 0.00 N ATOM 408 CA THR A 27 -2.337 9.596 -6.924 1.00 0.00 C ATOM 409 C THR A 27 -2.456 10.045 -5.469 1.00 0.00 C ATOM 410 O THR A 27 -3.289 9.486 -4.749 1.00 0.00 O ATOM 411 CB THR A 27 -3.563 9.996 -7.738 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.523 9.383 -9.010 1.00 0.00 O ATOM 413 CG2 THR A 27 -3.641 11.507 -7.867 1.00 0.00 C ATOM 0 H THR A 27 -3.162 7.648 -6.972 1.00 0.00 H new ATOM 0 HA THR A 27 -1.458 10.060 -7.370 1.00 0.00 H new ATOM 0 HB THR A 27 -4.459 9.653 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.315 9.645 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.521 11.777 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.712 11.954 -6.875 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.746 11.876 -8.368 1.00 0.00 H new ATOM 421 N PRO A 28 -1.790 11.134 -5.059 1.00 0.00 N ATOM 422 CA PRO A 28 -1.814 11.548 -3.671 1.00 0.00 C ATOM 423 C PRO A 28 -3.011 12.469 -3.447 1.00 0.00 C ATOM 424 O PRO A 28 -3.381 13.262 -4.313 1.00 0.00 O ATOM 425 CB PRO A 28 -0.471 12.228 -3.453 1.00 0.00 C ATOM 426 CG PRO A 28 -0.211 12.900 -4.795 1.00 0.00 C ATOM 427 CD PRO A 28 -0.769 11.878 -5.787 1.00 0.00 C ATOM 0 HA PRO A 28 -1.937 10.733 -2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.512 12.952 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.310 11.510 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.719 13.861 -4.873 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.851 13.086 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.194 12.373 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.016 11.214 -6.147 1.00 0.00 H new ATOM 435 N LEU A 29 -3.653 12.322 -2.292 1.00 0.00 N ATOM 436 CA LEU A 29 -4.925 12.973 -2.015 1.00 0.00 C ATOM 437 C LEU A 29 -4.685 14.404 -1.534 1.00 0.00 C ATOM 438 O LEU A 29 -5.471 15.293 -1.857 1.00 0.00 O ATOM 439 CB LEU A 29 -5.694 12.182 -0.946 1.00 0.00 C ATOM 440 CG LEU A 29 -6.275 10.867 -1.506 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.428 9.679 -1.067 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.705 10.611 -1.025 1.00 0.00 C ATOM 0 H LEU A 29 -3.305 11.748 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.517 13.002 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.029 11.958 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.503 12.797 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.273 10.973 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.853 8.760 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.410 9.802 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.414 9.624 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.068 9.674 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.717 10.548 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.349 11.428 -1.348 1.00 0.00 H new ATOM 454 N ASN A 30 -3.601 14.625 -0.776 1.00 0.00 N ATOM 455 CA ASN A 30 -3.168 15.903 -0.191 1.00 0.00 C ATOM 456 C ASN A 30 -4.312 16.604 0.557 1.00 0.00 C ATOM 457 O ASN A 30 -4.415 17.831 0.518 1.00 0.00 O ATOM 458 CB ASN A 30 -2.491 16.804 -1.256 1.00 0.00 C ATOM 459 CG ASN A 30 -1.247 16.191 -1.887 1.00 0.00 C ATOM 460 OD1 ASN A 30 -0.934 15.037 -1.638 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.517 16.911 -2.722 1.00 0.00 N ATOM 0 H ASN A 30 -2.962 13.866 -0.540 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.409 15.691 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.213 17.025 -2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.221 17.754 -0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.309 16.503 -3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.780 17.875 -2.929 1.00 0.00 H new ATOM 468 N SER A 31 -5.200 15.831 1.205 1.00 0.00 N ATOM 469 CA SER A 31 -6.516 16.285 1.652 1.00 0.00 C ATOM 470 C SER A 31 -6.455 17.592 2.446 1.00 0.00 C ATOM 471 O SER A 31 -7.280 18.484 2.227 1.00 0.00 O ATOM 472 CB SER A 31 -7.251 15.177 2.442 1.00 0.00 C ATOM 473 OG SER A 31 -6.983 15.159 3.836 1.00 0.00 O ATOM 0 H SER A 31 -5.014 14.855 1.434 1.00 0.00 H new ATOM 0 HA SER A 31 -7.093 16.500 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.324 15.297 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.978 14.209 2.022 1.00 0.00 H new ATOM 0 HG SER A 31 -7.488 14.432 4.257 1.00 0.00 H new ATOM 479 N SER A 32 -5.522 17.652 3.400 1.00 0.00 N ATOM 480 CA SER A 32 -5.244 18.663 4.415 1.00 0.00 C ATOM 481 C SER A 32 -4.558 17.904 5.551 1.00 0.00 C ATOM 482 O SER A 32 -3.343 17.727 5.551 1.00 0.00 O ATOM 483 CB SER A 32 -6.490 19.445 4.884 1.00 0.00 C ATOM 484 OG SER A 32 -7.618 18.596 5.050 1.00 0.00 O ATOM 0 H SER A 32 -4.855 16.885 3.486 1.00 0.00 H new ATOM 0 HA SER A 32 -4.610 19.452 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.271 19.945 5.827 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.725 20.223 4.157 1.00 0.00 H new ATOM 0 HG SER A 32 -8.386 19.127 5.349 1.00 0.00 H new ATOM 490 N THR A 33 -5.356 17.334 6.452 1.00 0.00 N ATOM 491 CA THR A 33 -4.898 16.735 7.699 1.00 0.00 C ATOM 492 C THR A 33 -4.506 15.263 7.493 1.00 0.00 C ATOM 493 O THR A 33 -3.974 14.654 8.421 1.00 0.00 O ATOM 494 CB THR A 33 -5.989 16.975 8.771 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.573 18.021 9.629 1.00 0.00 O ATOM 496 CG2 THR A 33 -6.322 15.829 9.732 1.00 0.00 C ATOM 0 H THR A 33 -6.367 17.276 6.329 1.00 0.00 H new ATOM 0 HA THR A 33 -3.981 17.205 8.056 1.00 0.00 H new ATOM 0 HB THR A 33 -6.872 17.160 8.159 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.261 18.179 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.103 16.148 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.671 14.967 9.163 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.430 15.555 10.295 1.00 0.00 H new ATOM 504 N ILE A 34 -4.728 14.703 6.292 1.00 0.00 N ATOM 505 CA ILE A 34 -4.245 13.385 5.880 1.00 0.00 C ATOM 506 C ILE A 34 -2.865 13.084 6.489 1.00 0.00 C ATOM 507 O ILE A 34 -1.959 13.921 6.428 1.00 0.00 O ATOM 508 CB ILE A 34 -4.275 13.246 4.342 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.107 11.776 3.924 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.344 14.245 3.661 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.431 11.497 2.582 1.00 0.00 C ATOM 0 H ILE A 34 -5.265 15.173 5.563 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.921 12.625 6.273 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.261 13.528 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.535 11.269 4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.095 11.317 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.396 14.113 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.649 15.260 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.321 14.077 3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.380 10.421 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.007 11.960 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.423 11.911 2.589 1.00 0.00 H new ATOM 523 N ILE A 35 -2.720 11.917 7.115 1.00 0.00 N ATOM 524 CA ILE A 35 -1.525 11.612 7.891 1.00 0.00 C ATOM 525 C ILE A 35 -0.461 11.092 6.938 1.00 0.00 C ATOM 526 O ILE A 35 0.670 11.565 6.982 1.00 0.00 O ATOM 527 CB ILE A 35 -1.844 10.586 8.989 1.00 0.00 C ATOM 528 CG1 ILE A 35 -2.788 11.207 10.045 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.580 10.043 9.677 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.033 10.344 10.213 1.00 0.00 C ATOM 0 H ILE A 35 -3.415 11.171 7.099 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.158 12.509 8.389 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.336 9.745 8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.268 11.298 10.999 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.073 12.214 9.741 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.864 9.322 10.444 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.055 9.555 8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.034 10.866 10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.689 10.793 10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.560 10.276 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.742 9.345 10.539 1.00 0.00 H new ATOM 542 N GLY A 36 -0.822 10.126 6.094 1.00 0.00 N ATOM 543 CA GLY A 36 0.119 9.360 5.306 1.00 0.00 C ATOM 544 C GLY A 36 -0.619 8.255 4.568 1.00 0.00 C ATOM 545 O GLY A 36 -1.851 8.250 4.484 1.00 0.00 O ATOM 0 H GLY A 36 -1.794 9.856 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.628 10.010 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.886 8.932 5.951 1.00 0.00 H new ATOM 549 N TYR A 37 0.152 7.300 4.067 1.00 0.00 N ATOM 550 CA TYR A 37 -0.337 5.996 3.654 1.00 0.00 C ATOM 551 C TYR A 37 0.556 5.008 4.402 1.00 0.00 C ATOM 552 O TYR A 37 1.705 5.333 4.716 1.00 0.00 O ATOM 553 CB TYR A 37 -0.266 5.831 2.112 1.00 0.00 C ATOM 554 CG TYR A 37 -0.713 7.049 1.331 1.00 0.00 C ATOM 555 CD1 TYR A 37 0.154 8.131 1.067 1.00 0.00 C ATOM 556 CD2 TYR A 37 -2.050 7.108 0.919 1.00 0.00 C ATOM 557 CE1 TYR A 37 -0.334 9.293 0.439 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.540 8.256 0.291 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.698 9.366 0.080 1.00 0.00 C ATOM 560 OH TYR A 37 -2.226 10.513 -0.418 1.00 0.00 O ATOM 0 H TYR A 37 1.157 7.415 3.934 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.389 5.839 3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.760 5.591 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.883 4.981 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.195 8.067 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.704 6.265 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.329 10.121 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.569 8.293 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.502 11.115 -0.690 1.00 0.00 H new ATOM 570 N ARG A 38 0.031 3.829 4.709 1.00 0.00 N ATOM 571 CA ARG A 38 0.693 2.784 5.469 1.00 0.00 C ATOM 572 C ARG A 38 0.752 1.588 4.543 1.00 0.00 C ATOM 573 O ARG A 38 -0.296 1.151 4.060 1.00 0.00 O ATOM 574 CB ARG A 38 -0.098 2.539 6.768 1.00 0.00 C ATOM 575 CG ARG A 38 0.268 1.277 7.570 1.00 0.00 C ATOM 576 CD ARG A 38 -0.408 0.012 7.015 1.00 0.00 C ATOM 577 NE ARG A 38 -0.426 -1.084 7.999 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.221 -2.160 7.940 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.327 -2.138 7.207 1.00 0.00 N ATOM 580 NH2 ARG A 38 -0.899 -3.256 8.609 1.00 0.00 N ATOM 0 H ARG A 38 -0.911 3.566 4.420 1.00 0.00 H new ATOM 0 HA ARG A 38 1.705 3.034 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.035 3.405 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.158 2.488 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.350 1.143 7.557 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.024 1.414 8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.430 0.248 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.118 -0.315 6.118 1.00 0.00 H new ATOM 0 HE ARG A 38 0.218 -1.018 8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.576 -1.298 6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.928 -2.961 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.046 -3.280 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.504 -4.076 8.565 1.00 0.00 H new ATOM 594 N ILE A 39 1.948 1.076 4.287 1.00 0.00 N ATOM 595 CA ILE A 39 2.163 -0.125 3.505 1.00 0.00 C ATOM 596 C ILE A 39 2.511 -1.229 4.508 1.00 0.00 C ATOM 597 O ILE A 39 3.091 -0.993 5.567 1.00 0.00 O ATOM 598 CB ILE A 39 3.220 0.137 2.400 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.656 1.022 1.257 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.692 -1.171 1.734 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.481 2.517 1.568 1.00 0.00 C ATOM 0 H ILE A 39 2.813 1.497 4.627 1.00 0.00 H new ATOM 0 HA ILE A 39 1.283 -0.445 2.947 1.00 0.00 H new ATOM 0 HB ILE A 39 4.045 0.636 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.317 0.928 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.687 0.620 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.431 -0.942 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.139 -1.822 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.840 -1.675 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.081 3.027 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.792 2.637 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.447 2.950 1.830 1.00 0.00 H new ATOM 613 N THR A 40 2.067 -2.443 4.219 1.00 0.00 N ATOM 614 CA THR A 40 2.490 -3.668 4.877 1.00 0.00 C ATOM 615 C THR A 40 2.476 -4.742 3.796 1.00 0.00 C ATOM 616 O THR A 40 1.405 -5.099 3.302 1.00 0.00 O ATOM 617 CB THR A 40 1.551 -3.955 6.060 1.00 0.00 C ATOM 618 OG1 THR A 40 1.842 -3.034 7.095 1.00 0.00 O ATOM 619 CG2 THR A 40 1.711 -5.357 6.654 1.00 0.00 C ATOM 0 H THR A 40 1.373 -2.607 3.489 1.00 0.00 H new ATOM 0 HA THR A 40 3.490 -3.615 5.308 1.00 0.00 H new ATOM 0 HB THR A 40 0.535 -3.868 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.320 -2.264 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.015 -5.482 7.483 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.501 -6.103 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.732 -5.485 7.015 1.00 0.00 H new ATOM 627 N VAL A 41 3.644 -5.237 3.400 1.00 0.00 N ATOM 628 CA VAL A 41 3.747 -6.515 2.706 1.00 0.00 C ATOM 629 C VAL A 41 3.547 -7.675 3.676 1.00 0.00 C ATOM 630 O VAL A 41 3.992 -7.646 4.823 1.00 0.00 O ATOM 631 CB VAL A 41 5.051 -6.660 1.879 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.728 -6.829 0.402 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.931 -5.391 1.863 1.00 0.00 C ATOM 0 H VAL A 41 4.538 -4.769 3.549 1.00 0.00 H new ATOM 0 HA VAL A 41 2.939 -6.544 1.975 1.00 0.00 H new ATOM 0 HB VAL A 41 5.558 -7.503 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.654 -6.929 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.119 -7.722 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.179 -5.957 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.823 -5.574 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.368 -4.563 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.224 -5.139 2.882 1.00 0.00 H new ATOM 643 N VAL A 42 2.884 -8.723 3.196 1.00 0.00 N ATOM 644 CA VAL A 42 2.830 -10.013 3.856 1.00 0.00 C ATOM 645 C VAL A 42 3.061 -11.074 2.776 1.00 0.00 C ATOM 646 O VAL A 42 2.884 -10.802 1.586 1.00 0.00 O ATOM 647 CB VAL A 42 1.510 -10.175 4.658 1.00 0.00 C ATOM 648 CG1 VAL A 42 0.986 -8.894 5.328 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.374 -10.642 3.767 1.00 0.00 C ATOM 0 H VAL A 42 2.361 -8.694 2.321 1.00 0.00 H new ATOM 0 HA VAL A 42 3.607 -10.122 4.612 1.00 0.00 H new ATOM 0 HB VAL A 42 1.785 -10.898 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.062 -9.115 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.731 -8.520 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.794 -8.138 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.535 -10.745 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.209 -9.912 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.630 -11.605 3.325 1.00 0.00 H new ATOM 659 N ALA A 43 3.371 -12.301 3.180 1.00 0.00 N ATOM 660 CA ALA A 43 3.434 -13.427 2.265 1.00 0.00 C ATOM 661 C ALA A 43 2.004 -13.847 1.917 1.00 0.00 C ATOM 662 O ALA A 43 1.194 -14.094 2.823 1.00 0.00 O ATOM 663 CB ALA A 43 4.205 -14.571 2.924 1.00 0.00 C ATOM 0 H ALA A 43 3.585 -12.539 4.149 1.00 0.00 H new ATOM 0 HA ALA A 43 3.955 -13.155 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.254 -15.418 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.215 -14.239 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.696 -14.873 3.839 1.00 0.00 H new ATOM 669 N ALA A 44 1.684 -13.935 0.625 1.00 0.00 N ATOM 670 CA ALA A 44 0.519 -14.639 0.112 1.00 0.00 C ATOM 671 C ALA A 44 0.748 -16.140 0.341 1.00 0.00 C ATOM 672 O ALA A 44 1.243 -16.867 -0.524 1.00 0.00 O ATOM 673 CB ALA A 44 0.262 -14.275 -1.356 1.00 0.00 C ATOM 0 H ALA A 44 2.247 -13.505 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.388 -14.342 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.614 -14.814 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.088 -13.202 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.129 -14.550 -1.956 1.00 0.00 H new ATOM 708 N ILE A 48 1.801 -13.959 7.177 1.00 0.00 N ATOM 709 CA ILE A 48 3.072 -13.623 7.804 1.00 0.00 C ATOM 710 C ILE A 48 3.505 -12.245 7.284 1.00 0.00 C ATOM 711 O ILE A 48 3.795 -12.157 6.088 1.00 0.00 O ATOM 712 CB ILE A 48 4.074 -14.777 7.551 1.00 0.00 C ATOM 713 CG1 ILE A 48 3.674 -15.968 8.444 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.530 -14.377 7.832 1.00 0.00 C ATOM 715 CD1 ILE A 48 4.493 -17.243 8.217 1.00 0.00 C ATOM 0 HA ILE A 48 3.007 -13.532 8.888 1.00 0.00 H new ATOM 0 HB ILE A 48 4.026 -15.043 6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.772 -15.671 9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.621 -16.194 8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.185 -15.226 7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.811 -13.546 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.629 -14.074 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.141 -18.026 8.889 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.376 -17.571 7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.545 -17.040 8.417 1.00 0.00 H new ATOM 727 N PRO A 49 3.429 -11.160 8.078 1.00 0.00 N ATOM 728 CA PRO A 49 3.832 -9.839 7.628 1.00 0.00 C ATOM 729 C PRO A 49 5.354 -9.764 7.525 1.00 0.00 C ATOM 730 O PRO A 49 6.070 -10.229 8.417 1.00 0.00 O ATOM 731 CB PRO A 49 3.271 -8.864 8.662 1.00 0.00 C ATOM 732 CG PRO A 49 3.272 -9.681 9.953 1.00 0.00 C ATOM 733 CD PRO A 49 3.042 -11.120 9.482 1.00 0.00 C ATOM 0 HA PRO A 49 3.452 -9.599 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.890 -7.971 8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.267 -8.531 8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.217 -9.582 10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.486 -9.353 10.633 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.636 -11.820 10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.998 -11.407 9.605 1.00 0.00 H new ATOM 741 N ILE A 50 5.838 -9.143 6.455 1.00 0.00 N ATOM 742 CA ILE A 50 7.232 -8.818 6.235 1.00 0.00 C ATOM 743 C ILE A 50 7.244 -7.303 6.394 1.00 0.00 C ATOM 744 O ILE A 50 6.956 -6.585 5.437 1.00 0.00 O ATOM 745 CB ILE A 50 7.730 -9.353 4.869 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.932 -10.885 4.863 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.076 -8.738 4.449 1.00 0.00 C ATOM 748 CD1 ILE A 50 6.637 -11.694 4.832 1.00 0.00 C ATOM 0 H ILE A 50 5.238 -8.842 5.687 1.00 0.00 H new ATOM 0 HA ILE A 50 7.932 -9.287 6.926 1.00 0.00 H new ATOM 0 HB ILE A 50 6.941 -9.069 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.536 -11.156 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.501 -11.167 5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.378 -9.148 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.972 -7.656 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.833 -8.974 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.873 -12.758 4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.039 -11.457 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.074 -11.445 3.932 1.00 0.00 H new ATOM 760 N PHE A 51 7.535 -6.861 7.624 1.00 0.00 N ATOM 761 CA PHE A 51 7.691 -5.472 8.053 1.00 0.00 C ATOM 762 C PHE A 51 6.474 -4.589 7.713 1.00 0.00 C ATOM 763 O PHE A 51 5.434 -5.052 7.247 1.00 0.00 O ATOM 764 CB PHE A 51 9.094 -4.929 7.709 1.00 0.00 C ATOM 765 CG PHE A 51 9.213 -4.145 6.427 1.00 0.00 C ATOM 766 CD1 PHE A 51 9.216 -4.764 5.166 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.293 -2.752 6.513 1.00 0.00 C ATOM 768 CE1 PHE A 51 9.162 -3.991 3.994 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.263 -1.987 5.349 1.00 0.00 C ATOM 770 CZ PHE A 51 9.148 -2.592 4.095 1.00 0.00 C ATOM 0 H PHE A 51 7.677 -7.512 8.396 1.00 0.00 H new ATOM 0 HA PHE A 51 7.672 -5.435 9.142 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.425 -4.293 8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.784 -5.771 7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.260 -5.841 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.378 -2.271 7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.132 -4.469 3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.330 -0.911 5.417 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.049 -1.985 3.207 1.00 0.00 H new ATOM 780 N GLU A 52 6.528 -3.330 8.133 1.00 0.00 N ATOM 781 CA GLU A 52 5.633 -2.280 7.641 1.00 0.00 C ATOM 782 C GLU A 52 6.398 -0.970 7.476 1.00 0.00 C ATOM 783 O GLU A 52 7.436 -0.782 8.121 1.00 0.00 O ATOM 784 CB GLU A 52 4.438 -2.104 8.584 1.00 0.00 C ATOM 785 CG GLU A 52 4.791 -1.449 9.924 1.00 0.00 C ATOM 786 CD GLU A 52 3.738 -1.770 10.976 1.00 0.00 C ATOM 787 OE1 GLU A 52 3.593 -2.973 11.304 1.00 0.00 O ATOM 788 OE2 GLU A 52 3.049 -0.834 11.454 1.00 0.00 O ATOM 0 H GLU A 52 7.198 -3.003 8.830 1.00 0.00 H new ATOM 0 HA GLU A 52 5.248 -2.577 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.680 -1.500 8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.992 -3.080 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.766 -1.801 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.868 -0.369 9.797 1.00 0.00 H new ATOM 795 N ASP A 53 5.860 -0.065 6.661 1.00 0.00 N ATOM 796 CA ASP A 53 6.437 1.226 6.305 1.00 0.00 C ATOM 797 C ASP A 53 5.352 2.256 6.025 1.00 0.00 C ATOM 798 O ASP A 53 4.162 1.941 5.912 1.00 0.00 O ATOM 799 CB ASP A 53 7.442 1.160 5.139 1.00 0.00 C ATOM 800 CG ASP A 53 7.061 0.389 3.871 1.00 0.00 C ATOM 801 OD1 ASP A 53 6.413 -0.677 3.921 1.00 0.00 O ATOM 802 OD2 ASP A 53 7.583 0.805 2.810 1.00 0.00 O ATOM 0 H ASP A 53 4.960 -0.223 6.207 1.00 0.00 H new ATOM 0 HA ASP A 53 7.009 1.541 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.672 2.184 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.364 0.725 5.524 1.00 0.00 H new ATOM 807 N PHE A 54 5.780 3.516 5.983 1.00 0.00 N ATOM 808 CA PHE A 54 4.941 4.687 5.851 1.00 0.00 C ATOM 809 C PHE A 54 5.419 5.524 4.672 1.00 0.00 C ATOM 810 O PHE A 54 6.526 5.333 4.161 1.00 0.00 O ATOM 811 CB PHE A 54 5.000 5.492 7.161 1.00 0.00 C ATOM 812 CG PHE A 54 3.667 5.528 7.860 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.725 6.506 7.503 1.00 0.00 C ATOM 814 CD2 PHE A 54 3.341 4.552 8.819 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.459 6.509 8.098 1.00 0.00 C ATOM 816 CE2 PHE A 54 2.074 4.558 9.421 1.00 0.00 C ATOM 817 CZ PHE A 54 1.132 5.533 9.055 1.00 0.00 C ATOM 0 H PHE A 54 6.771 3.751 6.044 1.00 0.00 H new ATOM 0 HA PHE A 54 3.908 4.395 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.745 5.052 7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.325 6.510 6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.978 7.256 6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.065 3.799 9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.734 7.260 7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.824 3.815 10.164 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.153 5.533 9.511 1.00 0.00 H new ATOM 827 N VAL A 55 4.581 6.463 4.241 1.00 0.00 N ATOM 828 CA VAL A 55 4.964 7.561 3.373 1.00 0.00 C ATOM 829 C VAL A 55 4.530 8.888 4.018 1.00 0.00 C ATOM 830 O VAL A 55 3.873 8.884 5.059 1.00 0.00 O ATOM 831 CB VAL A 55 4.365 7.307 1.971 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.454 6.886 0.989 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.268 6.233 1.921 1.00 0.00 C ATOM 0 H VAL A 55 3.593 6.477 4.495 1.00 0.00 H new ATOM 0 HA VAL A 55 6.044 7.628 3.245 1.00 0.00 H new ATOM 0 HB VAL A 55 3.910 8.260 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.012 6.712 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.202 7.675 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.927 5.970 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.910 6.126 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.674 5.282 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.440 6.528 2.566 1.00 0.00 H new ATOM 843 N ASP A 56 4.759 10.023 3.353 1.00 0.00 N ATOM 844 CA ASP A 56 4.847 11.312 4.052 1.00 0.00 C ATOM 845 C ASP A 56 3.472 11.921 4.334 1.00 0.00 C ATOM 846 O ASP A 56 3.168 12.272 5.471 1.00 0.00 O ATOM 847 CB ASP A 56 5.690 12.291 3.219 1.00 0.00 C ATOM 848 CG ASP A 56 6.676 13.095 4.052 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.407 13.377 5.240 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.768 13.397 3.521 1.00 0.00 O ATOM 0 H ASP A 56 4.886 10.079 2.342 1.00 0.00 H new ATOM 0 HA ASP A 56 5.322 11.130 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.237 11.733 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.025 12.977 2.694 1.00 0.00 H new ATOM 855 N SER A 57 2.654 11.991 3.278 1.00 0.00 N ATOM 856 CA SER A 57 1.252 12.399 3.143 1.00 0.00 C ATOM 857 C SER A 57 0.915 12.840 1.719 1.00 0.00 C ATOM 858 O SER A 57 -0.250 12.740 1.338 1.00 0.00 O ATOM 859 CB SER A 57 0.741 13.415 4.182 1.00 0.00 C ATOM 860 OG SER A 57 1.143 14.754 3.962 1.00 0.00 O ATOM 0 H SER A 57 3.017 11.722 2.363 1.00 0.00 H new ATOM 0 HA SER A 57 0.701 11.486 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.348 13.377 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.086 13.106 5.169 1.00 0.00 H new ATOM 0 HG SER A 57 0.773 15.327 4.666 1.00 0.00 H new ATOM 866 N SER A 58 1.910 13.242 0.919 1.00 0.00 N ATOM 867 CA SER A 58 1.701 13.729 -0.441 1.00 0.00 C ATOM 868 C SER A 58 2.514 12.973 -1.490 1.00 0.00 C ATOM 869 O SER A 58 2.507 13.323 -2.672 1.00 0.00 O ATOM 870 CB SER A 58 1.838 15.254 -0.472 1.00 0.00 C ATOM 871 OG SER A 58 3.124 15.737 -0.140 1.00 0.00 O ATOM 0 H SER A 58 2.889 13.237 1.204 1.00 0.00 H new ATOM 0 HA SER A 58 0.677 13.505 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.578 15.609 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.113 15.685 0.219 1.00 0.00 H new ATOM 0 HG SER A 58 3.127 16.716 -0.185 1.00 0.00 H new ATOM 877 N VAL A 59 3.123 11.860 -1.082 1.00 0.00 N ATOM 878 CA VAL A 59 3.856 10.973 -1.961 1.00 0.00 C ATOM 879 C VAL A 59 2.811 10.225 -2.783 1.00 0.00 C ATOM 880 O VAL A 59 1.852 9.704 -2.213 1.00 0.00 O ATOM 881 CB VAL A 59 4.681 9.978 -1.115 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.516 9.057 -2.006 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.631 10.669 -0.134 1.00 0.00 C ATOM 0 H VAL A 59 3.116 11.551 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 59 4.544 11.519 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 59 3.947 9.406 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.086 8.367 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.856 8.491 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.201 9.655 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.182 9.916 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.333 11.294 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.056 11.289 0.553 1.00 0.00 H new ATOM 893 N GLY A 60 3.012 10.162 -4.101 1.00 0.00 N ATOM 894 CA GLY A 60 2.247 9.332 -5.028 1.00 0.00 C ATOM 895 C GLY A 60 3.115 8.269 -5.709 1.00 0.00 C ATOM 896 O GLY A 60 2.673 7.588 -6.631 1.00 0.00 O ATOM 0 H GLY A 60 3.738 10.707 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.435 8.844 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.790 9.966 -5.788 1.00 0.00 H new ATOM 900 N TYR A 61 4.377 8.133 -5.305 1.00 0.00 N ATOM 901 CA TYR A 61 5.322 7.216 -5.917 1.00 0.00 C ATOM 902 C TYR A 61 6.301 6.784 -4.836 1.00 0.00 C ATOM 903 O TYR A 61 6.944 7.655 -4.240 1.00 0.00 O ATOM 904 CB TYR A 61 6.040 7.934 -7.064 1.00 0.00 C ATOM 905 CG TYR A 61 6.959 7.007 -7.814 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.281 6.814 -7.371 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.447 6.257 -8.888 1.00 0.00 C ATOM 908 CE1 TYR A 61 9.091 5.861 -8.004 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.249 5.295 -9.517 1.00 0.00 C ATOM 910 CZ TYR A 61 8.567 5.090 -9.064 1.00 0.00 C ATOM 911 OH TYR A 61 9.292 4.068 -9.574 1.00 0.00 O ATOM 0 H TYR A 61 4.772 8.667 -4.531 1.00 0.00 H new ATOM 0 HA TYR A 61 4.825 6.338 -6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.303 8.350 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.613 8.772 -6.667 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.669 7.397 -6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.435 6.422 -9.228 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.112 5.717 -7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.860 4.716 -10.342 1.00 0.00 H new ATOM 0 HH TYR A 61 8.788 3.638 -10.296 1.00 0.00 H new ATOM 921 N TYR A 62 6.405 5.488 -4.531 1.00 0.00 N ATOM 922 CA TYR A 62 7.328 5.060 -3.481 1.00 0.00 C ATOM 923 C TYR A 62 7.918 3.709 -3.920 1.00 0.00 C ATOM 924 O TYR A 62 7.413 3.105 -4.869 1.00 0.00 O ATOM 925 CB TYR A 62 6.589 5.073 -2.136 1.00 0.00 C ATOM 926 CG TYR A 62 7.320 4.437 -0.977 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.320 3.054 -0.731 1.00 0.00 C ATOM 928 CD2 TYR A 62 8.043 5.299 -0.132 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.065 2.543 0.345 1.00 0.00 C ATOM 930 CE2 TYR A 62 8.747 4.800 0.970 1.00 0.00 C ATOM 931 CZ TYR A 62 8.772 3.415 1.206 1.00 0.00 C ATOM 932 OH TYR A 62 9.493 2.946 2.254 1.00 0.00 O ATOM 0 H TYR A 62 5.879 4.739 -4.981 1.00 0.00 H new ATOM 0 HA TYR A 62 8.175 5.730 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.365 6.108 -1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.634 4.563 -2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.752 2.389 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.055 6.359 -0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.098 1.477 0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.267 5.474 1.634 1.00 0.00 H new ATOM 0 HH TYR A 62 9.036 2.173 2.646 1.00 0.00 H new ATOM 942 N THR A 63 8.986 3.231 -3.284 1.00 0.00 N ATOM 943 CA THR A 63 9.628 1.950 -3.604 1.00 0.00 C ATOM 944 C THR A 63 9.861 1.176 -2.301 1.00 0.00 C ATOM 945 O THR A 63 10.391 1.747 -1.348 1.00 0.00 O ATOM 946 CB THR A 63 10.940 2.191 -4.381 1.00 0.00 C ATOM 947 OG1 THR A 63 10.801 3.252 -5.317 1.00 0.00 O ATOM 948 CG2 THR A 63 11.348 0.946 -5.176 1.00 0.00 C ATOM 0 H THR A 63 9.440 3.729 -2.518 1.00 0.00 H new ATOM 0 HA THR A 63 8.984 1.352 -4.248 1.00 0.00 H new ATOM 0 HB THR A 63 11.695 2.437 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.648 3.382 -5.792 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.275 1.145 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.497 0.110 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.562 0.696 -5.889 1.00 0.00 H new ATOM 956 N VAL A 64 9.439 -0.089 -2.232 1.00 0.00 N ATOM 957 CA VAL A 64 9.681 -0.959 -1.085 1.00 0.00 C ATOM 958 C VAL A 64 10.930 -1.790 -1.394 1.00 0.00 C ATOM 959 O VAL A 64 11.250 -2.027 -2.565 1.00 0.00 O ATOM 960 CB VAL A 64 8.471 -1.882 -0.807 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.363 -2.256 0.674 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.108 -1.295 -1.190 1.00 0.00 C ATOM 0 H VAL A 64 8.914 -0.540 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 64 9.828 -0.356 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 64 8.680 -2.746 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.500 -2.905 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.268 -2.779 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.244 -1.351 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.323 -2.015 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.936 -0.377 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.094 -1.075 -2.257 1.00 0.00 H new ATOM 972 N THR A 65 11.623 -2.250 -0.357 1.00 0.00 N ATOM 973 CA THR A 65 12.706 -3.226 -0.430 1.00 0.00 C ATOM 974 C THR A 65 12.418 -4.303 0.630 1.00 0.00 C ATOM 975 O THR A 65 11.423 -4.190 1.354 1.00 0.00 O ATOM 976 CB THR A 65 14.078 -2.548 -0.180 1.00 0.00 C ATOM 977 OG1 THR A 65 14.040 -1.126 -0.148 1.00 0.00 O ATOM 978 CG2 THR A 65 15.139 -2.972 -1.195 1.00 0.00 C ATOM 0 H THR A 65 11.438 -1.940 0.597 1.00 0.00 H new ATOM 0 HA THR A 65 12.755 -3.673 -1.423 1.00 0.00 H new ATOM 0 HB THR A 65 14.347 -2.901 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.942 -0.778 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.079 -2.467 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.285 -4.051 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.811 -2.701 -2.199 1.00 0.00 H new ATOM 986 N GLY A 66 13.253 -5.337 0.746 1.00 0.00 N ATOM 987 CA GLY A 66 13.125 -6.345 1.798 1.00 0.00 C ATOM 988 C GLY A 66 12.226 -7.506 1.401 1.00 0.00 C ATOM 989 O GLY A 66 11.968 -8.403 2.207 1.00 0.00 O ATOM 0 H GLY A 66 14.037 -5.499 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.114 -6.728 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.727 -5.875 2.697 1.00 0.00 H new ATOM 993 N LEU A 67 11.766 -7.518 0.153 1.00 0.00 N ATOM 994 CA LEU A 67 11.135 -8.675 -0.446 1.00 0.00 C ATOM 995 C LEU A 67 12.156 -9.801 -0.581 1.00 0.00 C ATOM 996 O LEU A 67 13.371 -9.578 -0.574 1.00 0.00 O ATOM 997 CB LEU A 67 10.529 -8.273 -1.798 1.00 0.00 C ATOM 998 CG LEU A 67 8.995 -8.328 -1.746 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.383 -7.342 -2.731 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.514 -9.751 -2.029 1.00 0.00 C ATOM 0 H LEU A 67 11.825 -6.714 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 67 10.327 -9.043 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.853 -7.266 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.895 -8.940 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 67 8.669 -8.042 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.296 -7.400 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.706 -6.331 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.708 -7.588 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.425 -9.781 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.851 -10.059 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.923 -10.429 -1.280 1.00 0.00 H new ATOM 1012 N GLU A 68 11.646 -11.020 -0.693 1.00 0.00 N ATOM 1013 CA GLU A 68 12.409 -12.249 -0.754 1.00 0.00 C ATOM 1014 C GLU A 68 11.671 -13.141 -1.760 1.00 0.00 C ATOM 1015 O GLU A 68 10.583 -13.629 -1.431 1.00 0.00 O ATOM 1016 CB GLU A 68 12.515 -12.857 0.663 1.00 0.00 C ATOM 1017 CG GLU A 68 13.953 -13.154 1.126 1.00 0.00 C ATOM 1018 CD GLU A 68 14.353 -14.635 1.114 1.00 0.00 C ATOM 1019 OE1 GLU A 68 13.558 -15.512 1.526 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.541 -14.923 0.827 1.00 0.00 O ATOM 0 H GLU A 68 10.640 -11.181 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 68 13.438 -12.111 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.052 -12.172 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.940 -13.782 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.644 -12.603 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.078 -12.769 2.138 1.00 0.00 H new ATOM 1027 N PRO A 69 12.177 -13.289 -2.996 1.00 0.00 N ATOM 1028 CA PRO A 69 11.480 -14.000 -4.062 1.00 0.00 C ATOM 1029 C PRO A 69 11.370 -15.497 -3.745 1.00 0.00 C ATOM 1030 O PRO A 69 11.963 -16.000 -2.788 1.00 0.00 O ATOM 1031 CB PRO A 69 12.291 -13.717 -5.334 1.00 0.00 C ATOM 1032 CG PRO A 69 13.703 -13.458 -4.818 1.00 0.00 C ATOM 1033 CD PRO A 69 13.462 -12.794 -3.465 1.00 0.00 C ATOM 0 HA PRO A 69 10.450 -13.665 -4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.265 -14.563 -6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.899 -12.856 -5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.271 -14.383 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.265 -12.810 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.256 -13.044 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.450 -11.708 -3.560 1.00 0.00 H new ATOM 1041 N GLY A 70 10.573 -16.221 -4.532 1.00 0.00 N ATOM 1042 CA GLY A 70 10.298 -17.636 -4.313 1.00 0.00 C ATOM 1043 C GLY A 70 8.931 -17.865 -3.678 1.00 0.00 C ATOM 1044 O GLY A 70 8.349 -18.942 -3.835 1.00 0.00 O ATOM 0 H GLY A 70 10.097 -15.835 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.348 -18.166 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.071 -18.060 -3.671 1.00 0.00 H new ATOM 1048 N ILE A 71 8.351 -16.830 -3.066 1.00 0.00 N ATOM 1049 CA ILE A 71 6.999 -16.785 -2.526 1.00 0.00 C ATOM 1050 C ILE A 71 6.268 -15.591 -3.163 1.00 0.00 C ATOM 1051 O ILE A 71 6.905 -14.639 -3.624 1.00 0.00 O ATOM 1052 CB ILE A 71 7.118 -16.749 -0.985 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.590 -18.105 -0.406 1.00 0.00 C ATOM 1054 CG2 ILE A 71 5.854 -16.268 -0.264 1.00 0.00 C ATOM 1055 CD1 ILE A 71 6.689 -19.311 -0.702 1.00 0.00 C ATOM 0 H ILE A 71 8.847 -15.949 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 71 6.396 -17.660 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 71 7.884 -15.998 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.586 -18.317 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.684 -18.003 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.025 -16.274 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.613 -15.255 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.024 -16.932 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.117 -20.205 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.696 -19.134 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.613 -19.452 -1.780 1.00 0.00 H new ATOM 1067 N ASP A 72 4.940 -15.674 -3.249 1.00 0.00 N ATOM 1068 CA ASP A 72 4.044 -14.601 -3.686 1.00 0.00 C ATOM 1069 C ASP A 72 3.706 -13.730 -2.472 1.00 0.00 C ATOM 1070 O ASP A 72 3.648 -14.245 -1.353 1.00 0.00 O ATOM 1071 CB ASP A 72 2.796 -15.240 -4.315 1.00 0.00 C ATOM 1072 CG ASP A 72 1.867 -14.255 -5.032 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.577 -13.175 -4.491 1.00 0.00 O ATOM 1074 OD2 ASP A 72 1.424 -14.587 -6.155 1.00 0.00 O ATOM 0 H ASP A 72 4.437 -16.527 -3.006 1.00 0.00 H new ATOM 0 HA ASP A 72 4.508 -13.962 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.114 -16.003 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.231 -15.748 -3.534 1.00 0.00 H new ATOM 1079 N TYR A 73 3.531 -12.422 -2.652 1.00 0.00 N ATOM 1080 CA TYR A 73 3.296 -11.467 -1.571 1.00 0.00 C ATOM 1081 C TYR A 73 2.020 -10.644 -1.802 1.00 0.00 C ATOM 1082 O TYR A 73 1.816 -10.083 -2.881 1.00 0.00 O ATOM 1083 CB TYR A 73 4.521 -10.559 -1.386 1.00 0.00 C ATOM 1084 CG TYR A 73 5.660 -11.093 -0.525 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.374 -12.254 -0.886 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.108 -10.331 0.570 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.496 -12.666 -0.145 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.264 -10.697 1.278 1.00 0.00 C ATOM 1089 CZ TYR A 73 7.952 -11.884 0.938 1.00 0.00 C ATOM 1090 OH TYR A 73 9.077 -12.251 1.613 1.00 0.00 O ATOM 0 H TYR A 73 3.549 -11.987 -3.574 1.00 0.00 H new ATOM 0 HA TYR A 73 3.144 -12.033 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.923 -10.328 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.182 -9.618 -0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.056 -12.833 -1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.555 -9.453 0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.009 -13.580 -0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.627 -10.073 2.081 1.00 0.00 H new ATOM 0 HH TYR A 73 9.523 -11.452 1.964 1.00 0.00 H new ATOM 1100 N ASP A 74 1.215 -10.502 -0.744 1.00 0.00 N ATOM 1101 CA ASP A 74 0.101 -9.557 -0.616 1.00 0.00 C ATOM 1102 C ASP A 74 0.691 -8.228 -0.156 1.00 0.00 C ATOM 1103 O ASP A 74 1.031 -8.094 1.028 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.953 -10.000 0.433 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.210 -10.741 -0.032 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.283 -11.230 -1.171 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -3.182 -10.784 0.773 1.00 0.00 O ATOM 0 H ASP A 74 1.330 -11.075 0.092 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.405 -9.494 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.446 -10.638 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.278 -9.107 0.967 1.00 0.00 H new ATOM 1112 N ILE A 75 0.819 -7.239 -1.041 1.00 0.00 N ATOM 1113 CA ILE A 75 1.247 -5.899 -0.639 1.00 0.00 C ATOM 1114 C ILE A 75 -0.012 -5.105 -0.307 1.00 0.00 C ATOM 1115 O ILE A 75 -0.757 -4.744 -1.220 1.00 0.00 O ATOM 1116 CB ILE A 75 2.093 -5.193 -1.716 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.179 -6.094 -2.355 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.685 -3.919 -1.070 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.798 -6.615 -3.736 1.00 0.00 C ATOM 0 H ILE A 75 0.633 -7.340 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 75 1.901 -5.971 0.230 1.00 0.00 H new ATOM 0 HB ILE A 75 1.453 -4.934 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.109 -5.531 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.372 -6.941 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.293 -3.388 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.875 -3.272 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.305 -4.198 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.603 -7.239 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.885 -7.206 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.633 -5.774 -4.409 1.00 0.00 H new ATOM 1131 N SER A 76 -0.292 -4.865 0.977 1.00 0.00 N ATOM 1132 CA SER A 76 -1.472 -4.120 1.409 1.00 0.00 C ATOM 1133 C SER A 76 -1.133 -2.693 1.780 1.00 0.00 C ATOM 1134 O SER A 76 -0.123 -2.445 2.434 1.00 0.00 O ATOM 1135 CB SER A 76 -2.214 -4.859 2.529 1.00 0.00 C ATOM 1136 OG SER A 76 -1.349 -5.425 3.494 1.00 0.00 O ATOM 0 H SER A 76 0.297 -5.184 1.746 1.00 0.00 H new ATOM 0 HA SER A 76 -2.155 -4.059 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.895 -4.166 3.023 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.825 -5.648 2.091 1.00 0.00 H new ATOM 0 HG SER A 76 -0.520 -4.904 3.535 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.979 -1.769 1.326 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.726 -0.343 1.358 1.00 0.00 C ATOM 1144 C VAL A 77 -3.017 0.326 1.854 1.00 0.00 C ATOM 1145 O VAL A 77 -4.050 0.318 1.166 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.256 0.117 -0.039 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.845 1.599 -0.036 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.131 -0.787 -0.606 1.00 0.00 C ATOM 0 H VAL A 77 -2.882 -2.006 0.916 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.924 -0.060 2.040 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.109 0.014 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.520 1.888 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.696 2.212 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.027 1.748 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.166 -0.424 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.728 -0.763 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.495 -1.811 -0.692 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.994 0.837 3.087 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.120 1.537 3.697 1.00 0.00 C ATOM 1160 C ILE A 78 -3.817 3.031 3.646 1.00 0.00 C ATOM 1161 O ILE A 78 -2.700 3.475 3.917 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.431 1.011 5.120 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.726 -0.509 5.036 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.605 1.799 5.746 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.599 -1.100 6.150 1.00 0.00 C ATOM 0 H ILE A 78 -2.179 0.774 3.697 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.037 1.346 3.140 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.571 1.161 5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.210 -0.710 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.775 -1.041 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.809 1.415 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.342 2.855 5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.493 1.683 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.733 -2.168 5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.114 -0.944 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.572 -0.608 6.150 1.00 0.00 H new ATOM 1177 N THR A 79 -4.833 3.807 3.300 1.00 0.00 N ATOM 1178 CA THR A 79 -4.804 5.255 3.266 1.00 0.00 C ATOM 1179 C THR A 79 -5.446 5.733 4.566 1.00 0.00 C ATOM 1180 O THR A 79 -6.525 5.248 4.917 1.00 0.00 O ATOM 1181 CB THR A 79 -5.622 5.676 2.041 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.112 5.048 0.880 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.669 7.191 1.849 1.00 0.00 C ATOM 0 H THR A 79 -5.738 3.425 3.024 1.00 0.00 H new ATOM 0 HA THR A 79 -3.802 5.678 3.189 1.00 0.00 H new ATOM 0 HB THR A 79 -6.648 5.352 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.856 4.764 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.262 7.428 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.122 7.655 2.725 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.656 7.573 1.719 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.790 6.642 5.292 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.255 7.153 6.564 1.00 0.00 C ATOM 1193 C LEU A 80 -5.371 8.664 6.428 1.00 0.00 C ATOM 1194 O LEU A 80 -4.367 9.363 6.249 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.350 6.769 7.736 1.00 0.00 C ATOM 1196 CG LEU A 80 -2.828 6.710 7.517 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.170 6.914 8.886 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.367 5.366 6.948 1.00 0.00 C ATOM 0 H LEU A 80 -3.901 7.046 4.996 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.221 6.704 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.539 7.477 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.669 5.789 8.091 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.547 7.478 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.086 6.879 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.463 7.883 9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.492 6.125 9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.285 5.380 6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.637 4.567 7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.850 5.193 5.986 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.600 9.170 6.469 1.00 0.00 N ATOM 1211 CA ILE A 81 -6.906 10.572 6.235 1.00 0.00 C ATOM 1212 C ILE A 81 -7.208 11.241 7.585 1.00 0.00 C ATOM 1213 O ILE A 81 -6.887 10.699 8.642 1.00 0.00 O ATOM 1214 CB ILE A 81 -7.993 10.740 5.139 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.421 10.464 5.642 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.731 9.865 3.896 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.474 11.325 4.934 1.00 0.00 C ATOM 0 H ILE A 81 -7.424 8.604 6.670 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.048 11.098 5.818 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.922 11.791 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.658 9.411 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.466 10.651 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.523 10.025 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.771 10.136 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.713 8.815 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.462 11.088 5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.257 12.379 5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.452 11.120 3.864 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.810 12.433 7.566 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.493 12.952 8.746 1.00 0.00 C ATOM 1231 C ASN A 82 -9.426 11.895 9.336 1.00 0.00 C ATOM 1232 O ASN A 82 -10.474 11.624 8.754 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.324 14.199 8.413 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.244 14.524 9.589 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -9.814 15.096 10.586 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.497 14.109 9.542 1.00 0.00 N ATOM 0 H ASN A 82 -7.837 13.049 6.754 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.721 13.217 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.666 15.044 8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.913 14.027 7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.115 14.263 10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.846 13.634 8.709 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.080 11.386 10.516 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.036 10.789 11.431 1.00 0.00 C ATOM 1245 C GLY A 83 -10.801 9.594 10.868 1.00 0.00 C ATOM 1246 O GLY A 83 -11.927 9.341 11.308 1.00 0.00 O ATOM 0 H GLY A 83 -8.120 11.379 10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.508 10.473 12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.753 11.552 11.733 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.222 8.910 9.882 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.866 7.893 9.087 1.00 0.00 C ATOM 1252 C GLY A 84 -9.840 7.291 8.130 1.00 0.00 C ATOM 1253 O GLY A 84 -8.853 7.938 7.768 1.00 0.00 O ATOM 0 H GLY A 84 -9.250 9.064 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.281 7.118 9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.697 8.322 8.528 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.084 6.064 7.678 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.234 5.303 6.772 1.00 0.00 C ATOM 1259 C GLU A 85 -10.107 4.712 5.670 1.00 0.00 C ATOM 1260 O GLU A 85 -11.298 4.446 5.882 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.537 4.171 7.544 1.00 0.00 C ATOM 1262 CG GLU A 85 -7.420 4.673 8.470 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.358 3.908 9.790 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -8.324 3.991 10.583 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -6.326 3.246 10.047 1.00 0.00 O ATOM 0 H GLU A 85 -10.922 5.549 7.948 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.475 5.953 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.278 3.633 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.119 3.458 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.462 4.583 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.574 5.732 8.676 1.00 0.00 H new ATOM 1272 N SER A 86 -9.514 4.473 4.502 1.00 0.00 N ATOM 1273 CA SER A 86 -10.205 3.844 3.387 1.00 0.00 C ATOM 1274 C SER A 86 -10.142 2.323 3.556 1.00 0.00 C ATOM 1275 O SER A 86 -9.555 1.810 4.512 1.00 0.00 O ATOM 1276 CB SER A 86 -9.620 4.285 2.042 1.00 0.00 C ATOM 1277 OG SER A 86 -8.947 5.524 2.108 1.00 0.00 O ATOM 0 H SER A 86 -8.542 4.711 4.306 1.00 0.00 H new ATOM 0 HA SER A 86 -11.248 4.161 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.928 3.522 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.423 4.354 1.309 1.00 0.00 H new ATOM 0 HG SER A 86 -9.037 5.991 1.251 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.757 1.579 2.635 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.621 0.128 2.622 1.00 0.00 C ATOM 1285 C ALA A 87 -9.195 -0.270 2.182 1.00 0.00 C ATOM 1286 O ALA A 87 -8.530 0.489 1.459 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.720 -0.496 1.750 1.00 0.00 C ATOM 0 H ALA A 87 -11.349 1.957 1.895 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.757 -0.267 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.610 -1.580 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.698 -0.232 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.634 -0.119 0.731 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.715 -1.456 2.597 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.380 -1.944 2.291 1.00 0.00 C ATOM 1295 C PRO A 88 -7.256 -2.294 0.811 1.00 0.00 C ATOM 1296 O PRO A 88 -7.828 -3.275 0.326 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.156 -3.161 3.193 1.00 0.00 C ATOM 1298 CG PRO A 88 -8.566 -3.672 3.469 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.390 -2.389 3.490 1.00 0.00 C ATOM 0 HA PRO A 88 -6.620 -1.186 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.545 -3.918 2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.642 -2.887 4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.906 -4.359 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.625 -4.206 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.411 -2.577 3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.454 -1.984 4.500 1.00 0.00 H new ATOM 1307 N THR A 89 -6.480 -1.501 0.080 1.00 0.00 N ATOM 1308 CA THR A 89 -6.099 -1.849 -1.272 1.00 0.00 C ATOM 1309 C THR A 89 -4.862 -2.740 -1.161 1.00 0.00 C ATOM 1310 O THR A 89 -3.751 -2.246 -0.958 1.00 0.00 O ATOM 1311 CB THR A 89 -5.918 -0.581 -2.124 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.059 0.250 -1.963 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.784 -0.929 -3.606 1.00 0.00 C ATOM 0 H THR A 89 -6.105 -0.611 0.408 1.00 0.00 H new ATOM 0 HA THR A 89 -6.871 -2.410 -1.799 1.00 0.00 H new ATOM 0 HB THR A 89 -5.012 -0.073 -1.795 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.951 1.062 -2.502 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.657 -0.014 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.917 -1.573 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.682 -1.448 -3.940 1.00 0.00 H new ATOM 1321 N THR A 90 -5.060 -4.056 -1.223 1.00 0.00 N ATOM 1322 CA THR A 90 -3.977 -5.004 -1.434 1.00 0.00 C ATOM 1323 C THR A 90 -3.929 -5.338 -2.925 1.00 0.00 C ATOM 1324 O THR A 90 -4.976 -5.334 -3.580 1.00 0.00 O ATOM 1325 CB THR A 90 -4.218 -6.283 -0.616 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.705 -6.054 0.692 1.00 0.00 O ATOM 1327 CG2 THR A 90 -2.980 -7.178 -0.512 1.00 0.00 C ATOM 0 H THR A 90 -5.978 -4.491 -1.128 1.00 0.00 H new ATOM 0 HA THR A 90 -3.031 -4.570 -1.110 1.00 0.00 H new ATOM 0 HB THR A 90 -4.992 -6.793 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.835 -6.912 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.219 -8.063 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.666 -7.482 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.173 -6.627 -0.029 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.759 -5.721 -3.435 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.623 -6.459 -4.686 1.00 0.00 C ATOM 1337 C LEU A 91 -1.645 -7.611 -4.425 1.00 0.00 C ATOM 1338 O LEU A 91 -0.621 -7.402 -3.768 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.153 -5.525 -5.821 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.109 -5.475 -7.024 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.726 -4.306 -7.942 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.053 -6.779 -7.825 1.00 0.00 C ATOM 0 H LEU A 91 -1.867 -5.523 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.580 -6.865 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.033 -4.517 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.171 -5.851 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.122 -5.338 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.406 -4.274 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.795 -3.370 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.705 -4.442 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.739 -6.717 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.039 -6.938 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.342 -7.612 -7.184 1.00 0.00 H new ATOM 1354 N THR A 92 -1.980 -8.806 -4.899 1.00 0.00 N ATOM 1355 CA THR A 92 -1.170 -10.026 -4.887 1.00 0.00 C ATOM 1356 C THR A 92 -0.123 -9.929 -6.010 1.00 0.00 C ATOM 1357 O THR A 92 -0.468 -9.410 -7.079 1.00 0.00 O ATOM 1358 CB THR A 92 -2.124 -11.216 -5.165 1.00 0.00 C ATOM 1359 OG1 THR A 92 -3.464 -10.926 -4.787 1.00 0.00 O ATOM 1360 CG2 THR A 92 -1.715 -12.505 -4.459 1.00 0.00 C ATOM 0 H THR A 92 -2.889 -8.962 -5.334 1.00 0.00 H new ATOM 0 HA THR A 92 -0.662 -10.160 -3.932 1.00 0.00 H new ATOM 0 HB THR A 92 -2.054 -11.366 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.956 -10.586 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.428 -13.294 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.720 -12.802 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.704 -12.342 -3.381 1.00 0.00 H new ATOM 1368 N GLN A 93 1.112 -10.421 -5.835 1.00 0.00 N ATOM 1369 CA GLN A 93 2.061 -10.586 -6.939 1.00 0.00 C ATOM 1370 C GLN A 93 3.224 -11.500 -6.532 1.00 0.00 C ATOM 1371 O GLN A 93 3.692 -11.465 -5.393 1.00 0.00 O ATOM 1372 CB GLN A 93 2.608 -9.213 -7.393 1.00 0.00 C ATOM 1373 CG GLN A 93 3.089 -9.203 -8.850 1.00 0.00 C ATOM 1374 CD GLN A 93 1.949 -9.400 -9.847 1.00 0.00 C ATOM 1375 OE1 GLN A 93 0.977 -8.648 -9.857 1.00 0.00 O ATOM 1376 NE2 GLN A 93 2.015 -10.400 -10.709 1.00 0.00 N ATOM 0 H GLN A 93 1.477 -10.713 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 93 1.529 -11.050 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.829 -8.461 -7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.434 -8.926 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.588 -8.256 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.829 -9.991 -8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.820 -11.026 -10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.261 -10.546 -11.380 1.00 0.00 H new ATOM 1385 N GLN A 94 3.774 -12.243 -7.490 1.00 0.00 N ATOM 1386 CA GLN A 94 4.909 -13.136 -7.302 1.00 0.00 C ATOM 1387 C GLN A 94 6.134 -12.573 -8.033 1.00 0.00 C ATOM 1388 O GLN A 94 5.966 -12.078 -9.144 1.00 0.00 O ATOM 1389 CB GLN A 94 4.489 -14.485 -7.883 1.00 0.00 C ATOM 1390 CG GLN A 94 5.362 -15.646 -7.429 1.00 0.00 C ATOM 1391 CD GLN A 94 4.858 -16.956 -8.021 1.00 0.00 C ATOM 1392 OE1 GLN A 94 5.047 -17.229 -9.208 1.00 0.00 O ATOM 1393 NE2 GLN A 94 4.183 -17.793 -7.252 1.00 0.00 N ATOM 0 H GLN A 94 3.428 -12.238 -8.450 1.00 0.00 H new ATOM 0 HA GLN A 94 5.181 -13.240 -6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.456 -14.687 -7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.516 -14.426 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.394 -15.475 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.359 -15.707 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.026 -17.569 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.820 -18.663 -7.641 1.00 0.00 H new ATOM 1402 N THR A 95 7.327 -12.739 -7.450 1.00 0.00 N ATOM 1403 CA THR A 95 8.610 -12.155 -7.856 1.00 0.00 C ATOM 1404 C THR A 95 8.436 -10.752 -8.411 1.00 0.00 C ATOM 1405 O THR A 95 8.429 -10.633 -9.662 1.00 0.00 O ATOM 1406 CB THR A 95 9.445 -13.060 -8.773 1.00 0.00 C ATOM 1407 OG1 THR A 95 8.773 -13.319 -9.986 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.815 -14.382 -8.110 1.00 0.00 C ATOM 1409 OXT THR A 95 8.330 -9.834 -7.582 1.00 0.00 O ATOM 0 H THR A 95 7.428 -13.327 -6.623 1.00 0.00 H new ATOM 0 HA THR A 95 9.202 -12.070 -6.945 1.00 0.00 H new ATOM 0 HB THR A 95 10.366 -12.514 -8.977 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.451 -12.476 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.405 -14.983 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.398 -14.187 -7.210 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.907 -14.922 -7.843 1.00 0.00 H new