USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 21 ASN : amide:sc= -2.51 K(o=-5.4,f=-2.4) USER MOD Set 1.2: A 52 ASN : amide:sc= -2.85 K(o=-5.4,f=-10!) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.418 K(o=0.94,f=-1.7) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.518 K(o=0.94,f=-1.6!) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.441 K(o=-19,f=-12) USER MOD Set 3.2: A 26 GLN : amide:sc= -11.5! C(o=-19!,f=-11!) USER MOD Set 3.3: A 55 GLN : amide:sc= -6.81! C(o=-19!,f=-13!) USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.145 (180deg=-0.726) USER MOD Single : A 3 ASN : amide:sc= -0.0789 X(o=-0.079,f=-0.02) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= -0.0229 (180deg=-0.273) USER MOD Single : A 6 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.41) USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= 0.035 (180deg=-2.24!) USER MOD Single : A 13 THR OG1 : rot 61:sc= 0.751 USER MOD Single : A 18 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.3) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0.785 (180deg=0.541) USER MOD Single : A 33 SER OG : rot 70:sc= 1.07 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0754 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.11) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= -0.754 (180deg=-2.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.792 -19.471 11.894 1.00 0.00 N ATOM 2 CA VAL A 1 16.373 -18.052 11.699 1.00 0.00 C ATOM 3 C VAL A 1 16.358 -17.735 10.203 1.00 0.00 C ATOM 4 O VAL A 1 17.161 -18.274 9.438 1.00 0.00 O ATOM 5 CB VAL A 1 17.355 -17.120 12.433 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.875 -15.664 12.327 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.440 -17.519 13.914 1.00 0.00 C ATOM 0 H1 VAL A 1 16.504 -19.791 12.841 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.339 -20.069 11.173 1.00 0.00 H new ATOM 0 H3 VAL A 1 17.826 -19.543 11.804 1.00 0.00 H new ATOM 0 HA VAL A 1 15.374 -17.900 12.107 1.00 0.00 H new ATOM 0 HB VAL A 1 18.339 -17.211 11.973 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.575 -15.011 12.849 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.822 -15.374 11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.888 -15.573 12.779 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.136 -16.857 14.430 1.00 0.00 H new ATOM 0 HG22 VAL A 1 16.454 -17.435 14.370 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.791 -18.548 13.994 1.00 0.00 H new ATOM 19 N ASP A 2 15.438 -16.856 9.801 1.00 0.00 N ATOM 20 CA ASP A 2 15.312 -16.461 8.399 1.00 0.00 C ATOM 21 C ASP A 2 14.741 -15.047 8.287 1.00 0.00 C ATOM 22 O ASP A 2 14.192 -14.508 9.252 1.00 0.00 O ATOM 23 CB ASP A 2 14.399 -17.451 7.658 1.00 0.00 C ATOM 24 CG ASP A 2 14.421 -17.170 6.154 1.00 0.00 C ATOM 25 OD1 ASP A 2 15.365 -17.591 5.506 1.00 0.00 O ATOM 26 OD2 ASP A 2 13.499 -16.527 5.675 1.00 0.00 O ATOM 0 H ASP A 2 14.770 -16.405 10.427 1.00 0.00 H new ATOM 0 HA ASP A 2 16.303 -16.473 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.728 -18.472 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.380 -17.369 8.035 1.00 0.00 H new ATOM 31 N ASN A 3 14.876 -14.460 7.097 1.00 0.00 N ATOM 32 CA ASN A 3 14.375 -13.110 6.840 1.00 0.00 C ATOM 33 C ASN A 3 12.856 -13.062 7.001 1.00 0.00 C ATOM 34 O ASN A 3 12.151 -13.988 6.594 1.00 0.00 O ATOM 35 CB ASN A 3 14.750 -12.684 5.417 1.00 0.00 C ATOM 36 CG ASN A 3 16.267 -12.691 5.252 1.00 0.00 C ATOM 37 OD1 ASN A 3 16.936 -11.721 5.608 1.00 0.00 O ATOM 38 ND2 ASN A 3 16.853 -13.739 4.741 1.00 0.00 N ATOM 0 H ASN A 3 15.329 -14.899 6.295 1.00 0.00 H new ATOM 0 HA ASN A 3 14.827 -12.428 7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.294 -13.361 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.358 -11.688 5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.867 -13.756 4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.297 -14.542 4.447 1.00 0.00 H new ATOM 45 N LYS A 4 12.364 -11.978 7.601 1.00 0.00 N ATOM 46 CA LYS A 4 10.928 -11.812 7.820 1.00 0.00 C ATOM 47 C LYS A 4 10.247 -11.278 6.565 1.00 0.00 C ATOM 48 O LYS A 4 10.742 -10.348 5.925 1.00 0.00 O ATOM 49 CB LYS A 4 10.681 -10.845 8.984 1.00 0.00 C ATOM 50 CG LYS A 4 11.204 -11.457 10.290 1.00 0.00 C ATOM 51 CD LYS A 4 10.854 -10.537 11.468 1.00 0.00 C ATOM 52 CE LYS A 4 11.456 -11.096 12.762 1.00 0.00 C ATOM 53 NZ LYS A 4 12.940 -10.951 12.726 1.00 0.00 N ATOM 0 H LYS A 4 12.936 -11.205 7.942 1.00 0.00 H new ATOM 0 HA LYS A 4 10.507 -12.788 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.180 -9.895 8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.615 -10.633 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.765 -12.443 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.284 -11.595 10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.236 -9.533 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.772 -10.453 11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.049 -10.566 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.186 -12.146 12.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.321 -11.037 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.347 -11.696 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.188 -10.019 12.338 1.00 0.00 H new ATOM 67 N PHE A 5 9.100 -11.867 6.230 1.00 0.00 N ATOM 68 CA PHE A 5 8.338 -11.446 5.057 1.00 0.00 C ATOM 69 C PHE A 5 7.724 -10.063 5.291 1.00 0.00 C ATOM 70 O PHE A 5 7.270 -9.402 4.357 1.00 0.00 O ATOM 71 CB PHE A 5 7.231 -12.470 4.755 1.00 0.00 C ATOM 72 CG PHE A 5 6.159 -12.408 5.828 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.339 -13.077 7.047 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.987 -11.674 5.601 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.350 -13.009 8.035 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.998 -11.609 6.589 1.00 0.00 C ATOM 77 CZ PHE A 5 4.180 -12.276 7.806 1.00 0.00 C ATOM 0 H PHE A 5 8.679 -12.635 6.753 1.00 0.00 H new ATOM 0 HA PHE A 5 9.012 -11.389 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.792 -12.266 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.655 -13.473 4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.241 -13.645 7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.847 -11.158 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.490 -13.523 8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.094 -11.044 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.417 -12.225 8.569 1.00 0.00 H new ATOM 87 N ASN A 6 7.717 -9.653 6.559 1.00 0.00 N ATOM 88 CA ASN A 6 7.165 -8.362 6.969 1.00 0.00 C ATOM 89 C ASN A 6 7.818 -7.206 6.207 1.00 0.00 C ATOM 90 O ASN A 6 7.204 -6.155 6.017 1.00 0.00 O ATOM 91 CB ASN A 6 7.377 -8.166 8.473 1.00 0.00 C ATOM 92 CG ASN A 6 6.763 -9.331 9.248 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.398 -9.880 10.149 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.563 -9.746 8.950 1.00 0.00 N ATOM 0 H ASN A 6 8.093 -10.205 7.330 1.00 0.00 H new ATOM 0 HA ASN A 6 6.100 -8.363 6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.443 -8.096 8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.923 -7.228 8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.151 -10.525 9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.037 -9.291 8.204 1.00 0.00 H new ATOM 101 N LYS A 7 9.067 -7.409 5.783 1.00 0.00 N ATOM 102 CA LYS A 7 9.804 -6.377 5.049 1.00 0.00 C ATOM 103 C LYS A 7 9.046 -5.948 3.797 1.00 0.00 C ATOM 104 O LYS A 7 9.035 -4.769 3.436 1.00 0.00 O ATOM 105 CB LYS A 7 11.188 -6.907 4.656 1.00 0.00 C ATOM 106 CG LYS A 7 12.020 -7.181 5.918 1.00 0.00 C ATOM 107 CD LYS A 7 13.458 -7.563 5.528 1.00 0.00 C ATOM 108 CE LYS A 7 13.582 -9.086 5.376 1.00 0.00 C ATOM 109 NZ LYS A 7 12.779 -9.546 4.205 1.00 0.00 N ATOM 0 H LYS A 7 9.587 -8.273 5.934 1.00 0.00 H new ATOM 0 HA LYS A 7 9.914 -5.509 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.085 -7.822 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.699 -6.181 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.030 -6.297 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.565 -7.986 6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.731 -7.074 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.155 -7.209 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.628 -9.363 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.235 -9.580 6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.220 -10.393 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.813 -9.774 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.744 -8.791 3.490 1.00 0.00 H new ATOM 123 N GLU A 8 8.409 -6.917 3.153 1.00 0.00 N ATOM 124 CA GLU A 8 7.633 -6.658 1.940 1.00 0.00 C ATOM 125 C GLU A 8 6.418 -5.793 2.251 1.00 0.00 C ATOM 126 O GLU A 8 5.984 -4.986 1.428 1.00 0.00 O ATOM 127 CB GLU A 8 7.179 -7.976 1.299 1.00 0.00 C ATOM 128 CG GLU A 8 8.402 -8.774 0.815 1.00 0.00 C ATOM 129 CD GLU A 8 8.852 -9.758 1.895 1.00 0.00 C ATOM 130 OE1 GLU A 8 8.309 -10.849 1.934 1.00 0.00 O ATOM 131 OE2 GLU A 8 9.730 -9.406 2.670 1.00 0.00 O ATOM 0 H GLU A 8 8.412 -7.893 3.449 1.00 0.00 H new ATOM 0 HA GLU A 8 8.275 -6.124 1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.613 -8.565 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.513 -7.772 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.154 -9.314 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.217 -8.092 0.572 1.00 0.00 H new ATOM 138 N LEU A 9 5.879 -5.971 3.446 1.00 0.00 N ATOM 139 CA LEU A 9 4.716 -5.204 3.877 1.00 0.00 C ATOM 140 C LEU A 9 5.111 -3.763 4.136 1.00 0.00 C ATOM 141 O LEU A 9 4.330 -2.849 3.881 1.00 0.00 O ATOM 142 CB LEU A 9 4.096 -5.797 5.153 1.00 0.00 C ATOM 143 CG LEU A 9 3.426 -7.143 4.847 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.489 -8.177 4.466 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.656 -7.627 6.084 1.00 0.00 C ATOM 0 H LEU A 9 6.226 -6.638 4.136 1.00 0.00 H new ATOM 0 HA LEU A 9 3.975 -5.248 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.868 -5.932 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.362 -5.104 5.565 1.00 0.00 H new ATOM 0 HG LEU A 9 2.733 -7.018 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.008 -9.131 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.029 -7.835 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.188 -8.302 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.180 -8.583 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.347 -7.748 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.893 -6.894 6.347 1.00 0.00 H new ATOM 157 N GLY A 10 6.345 -3.566 4.610 1.00 0.00 N ATOM 158 CA GLY A 10 6.847 -2.231 4.868 1.00 0.00 C ATOM 159 C GLY A 10 7.162 -1.586 3.544 1.00 0.00 C ATOM 160 O GLY A 10 7.078 -0.367 3.386 1.00 0.00 O ATOM 0 H GLY A 10 7.005 -4.315 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.106 -1.644 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.739 -2.274 5.492 1.00 0.00 H new ATOM 164 N TRP A 11 7.522 -2.446 2.592 1.00 0.00 N ATOM 165 CA TRP A 11 7.858 -2.009 1.266 1.00 0.00 C ATOM 166 C TRP A 11 6.673 -1.318 0.612 1.00 0.00 C ATOM 167 O TRP A 11 6.780 -0.187 0.146 1.00 0.00 O ATOM 168 CB TRP A 11 8.261 -3.219 0.426 1.00 0.00 C ATOM 169 CG TRP A 11 8.957 -2.726 -0.776 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.180 -2.195 -0.760 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.492 -2.689 -2.148 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.512 -1.810 -2.047 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.501 -2.108 -2.943 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.304 -3.104 -2.770 1.00 0.00 C ATOM 175 CZ2 TRP A 11 9.341 -1.940 -4.317 1.00 0.00 C ATOM 176 CZ3 TRP A 11 7.136 -2.939 -4.154 1.00 0.00 C ATOM 177 CH2 TRP A 11 8.154 -2.359 -4.926 1.00 0.00 C ATOM 0 H TRP A 11 7.584 -3.455 2.731 1.00 0.00 H new ATOM 0 HA TRP A 11 8.685 -1.301 1.329 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.911 -3.881 0.998 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.382 -3.799 0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.807 -2.084 0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.392 -1.362 -2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.517 -3.552 -2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.127 -1.490 -4.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.219 -3.260 -4.626 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.021 -2.236 -5.991 1.00 0.00 H new ATOM 188 N ALA A 12 5.537 -2.002 0.608 1.00 0.00 N ATOM 189 CA ALA A 12 4.330 -1.443 0.027 1.00 0.00 C ATOM 190 C ALA A 12 3.815 -0.278 0.855 1.00 0.00 C ATOM 191 O ALA A 12 3.198 0.637 0.328 1.00 0.00 O ATOM 192 CB ALA A 12 3.249 -2.504 -0.103 1.00 0.00 C ATOM 0 H ALA A 12 5.429 -2.938 0.998 1.00 0.00 H new ATOM 0 HA ALA A 12 4.583 -1.077 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.355 -2.061 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.606 -3.310 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.011 -2.903 0.883 1.00 0.00 H new ATOM 198 N THR A 13 4.055 -0.324 2.162 1.00 0.00 N ATOM 199 CA THR A 13 3.572 0.733 3.038 1.00 0.00 C ATOM 200 C THR A 13 4.148 2.053 2.604 1.00 0.00 C ATOM 201 O THR A 13 3.415 3.023 2.445 1.00 0.00 O ATOM 202 CB THR A 13 3.949 0.455 4.504 1.00 0.00 C ATOM 203 OG1 THR A 13 3.329 -0.746 4.929 1.00 0.00 O ATOM 204 CG2 THR A 13 3.486 1.614 5.408 1.00 0.00 C ATOM 0 H THR A 13 4.572 -1.069 2.630 1.00 0.00 H new ATOM 0 HA THR A 13 2.485 0.766 2.968 1.00 0.00 H new ATOM 0 HB THR A 13 5.033 0.361 4.577 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.645 -1.491 4.376 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.760 1.401 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.966 2.539 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.404 1.722 5.335 1.00 0.00 H new ATOM 212 N TRP A 14 5.456 2.067 2.386 1.00 0.00 N ATOM 213 CA TRP A 14 6.123 3.270 1.944 1.00 0.00 C ATOM 214 C TRP A 14 5.737 3.596 0.487 1.00 0.00 C ATOM 215 O TRP A 14 5.560 4.765 0.151 1.00 0.00 O ATOM 216 CB TRP A 14 7.639 3.140 2.198 1.00 0.00 C ATOM 217 CG TRP A 14 8.324 2.326 1.155 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.907 1.131 1.378 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.534 2.627 -0.248 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.415 0.655 0.190 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.207 1.540 -0.840 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.188 3.715 -1.062 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.518 1.531 -2.187 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.500 3.709 -2.418 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.158 2.617 -2.977 1.00 0.00 C ATOM 0 H TRP A 14 6.068 1.260 2.509 1.00 0.00 H new ATOM 0 HA TRP A 14 5.792 4.132 2.523 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.085 4.134 2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.803 2.685 3.175 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.966 0.629 2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.887 -0.243 0.087 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.676 4.564 -0.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.036 0.689 -2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.231 4.552 -3.037 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.390 2.613 -4.032 1.00 0.00 H new ATOM 236 N GLU A 15 5.572 2.561 -0.369 1.00 0.00 N ATOM 237 CA GLU A 15 5.182 2.773 -1.771 1.00 0.00 C ATOM 238 C GLU A 15 3.855 3.518 -1.855 1.00 0.00 C ATOM 239 O GLU A 15 3.706 4.497 -2.588 1.00 0.00 O ATOM 240 CB GLU A 15 4.950 1.414 -2.428 1.00 0.00 C ATOM 241 CG GLU A 15 6.238 0.609 -2.574 1.00 0.00 C ATOM 242 CD GLU A 15 6.508 0.300 -4.050 1.00 0.00 C ATOM 243 OE1 GLU A 15 5.667 -0.335 -4.666 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.549 0.697 -4.540 1.00 0.00 O ATOM 0 H GLU A 15 5.703 1.583 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 15 5.973 3.342 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.235 0.845 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.503 1.561 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.074 1.168 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.160 -0.320 -2.009 1.00 0.00 H new ATOM 251 N ILE A 16 2.910 3.028 -1.081 1.00 0.00 N ATOM 252 CA ILE A 16 1.570 3.588 -1.002 1.00 0.00 C ATOM 253 C ILE A 16 1.641 4.950 -0.343 1.00 0.00 C ATOM 254 O ILE A 16 1.041 5.914 -0.803 1.00 0.00 O ATOM 255 CB ILE A 16 0.744 2.572 -0.208 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.757 1.283 -1.039 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.706 3.042 0.047 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.079 0.165 -0.274 1.00 0.00 C ATOM 0 H ILE A 16 3.049 2.217 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 16 1.106 3.750 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 16 1.176 2.431 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.246 1.447 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.784 1.003 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.241 2.280 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.692 3.973 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.209 3.205 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.093 -0.746 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.608 -0.008 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.953 0.443 -0.061 1.00 0.00 H new ATOM 270 N PHE A 17 2.424 5.018 0.714 1.00 0.00 N ATOM 271 CA PHE A 17 2.628 6.276 1.432 1.00 0.00 C ATOM 272 C PHE A 17 3.321 7.321 0.553 1.00 0.00 C ATOM 273 O PHE A 17 3.253 8.518 0.838 1.00 0.00 O ATOM 274 CB PHE A 17 3.490 6.034 2.673 1.00 0.00 C ATOM 275 CG PHE A 17 2.654 6.008 3.936 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.589 6.910 4.125 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.961 5.075 4.933 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.844 6.864 5.308 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.210 5.029 6.109 1.00 0.00 C ATOM 280 CZ PHE A 17 1.152 5.924 6.299 1.00 0.00 C ATOM 0 H PHE A 17 2.932 4.223 1.101 1.00 0.00 H new ATOM 0 HA PHE A 17 1.645 6.652 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.022 5.088 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.244 6.817 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.349 7.634 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.782 4.388 4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.028 7.556 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.446 4.302 6.872 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.573 5.890 7.210 1.00 0.00 H new ATOM 290 N ASN A 18 3.987 6.863 -0.509 1.00 0.00 N ATOM 291 CA ASN A 18 4.695 7.765 -1.417 1.00 0.00 C ATOM 292 C ASN A 18 3.743 8.318 -2.470 1.00 0.00 C ATOM 293 O ASN A 18 4.176 8.851 -3.496 1.00 0.00 O ATOM 294 CB ASN A 18 5.870 7.030 -2.084 1.00 0.00 C ATOM 295 CG ASN A 18 7.092 7.022 -1.163 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.225 6.957 -1.638 1.00 0.00 O ATOM 297 ND2 ASN A 18 6.933 7.079 0.133 1.00 0.00 N ATOM 0 H ASN A 18 4.050 5.876 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 18 5.090 8.602 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.579 6.006 -2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.122 7.515 -3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.747 7.070 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.995 7.133 0.530 1.00 0.00 H new ATOM 304 N LEU A 19 2.442 8.205 -2.201 1.00 0.00 N ATOM 305 CA LEU A 19 1.441 8.708 -3.116 1.00 0.00 C ATOM 306 C LEU A 19 1.141 10.151 -2.789 1.00 0.00 C ATOM 307 O LEU A 19 0.860 10.482 -1.634 1.00 0.00 O ATOM 308 CB LEU A 19 0.171 7.867 -3.036 1.00 0.00 C ATOM 309 CG LEU A 19 0.389 6.516 -3.737 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.946 5.850 -4.032 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.115 6.711 -5.057 1.00 0.00 C ATOM 0 H LEU A 19 2.067 7.770 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 19 1.824 8.644 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.102 7.705 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.657 8.399 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 19 0.984 5.891 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.774 4.895 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.483 5.683 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.539 6.495 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.260 5.744 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.522 7.355 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.084 7.175 -4.874 1.00 0.00 H new ATOM 323 N PRO A 20 1.246 11.029 -3.758 1.00 0.00 N ATOM 324 CA PRO A 20 1.035 12.465 -3.520 1.00 0.00 C ATOM 325 C PRO A 20 -0.416 12.893 -3.258 1.00 0.00 C ATOM 326 O PRO A 20 -0.655 14.095 -3.108 1.00 0.00 O ATOM 327 CB PRO A 20 1.579 13.167 -4.778 1.00 0.00 C ATOM 328 CG PRO A 20 2.081 12.099 -5.696 1.00 0.00 C ATOM 329 CD PRO A 20 1.576 10.760 -5.170 1.00 0.00 C ATOM 0 HA PRO A 20 1.547 12.741 -2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.797 13.753 -5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.380 13.858 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.725 12.270 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.170 12.109 -5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.703 10.418 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.336 9.984 -5.261 1.00 0.00 H new ATOM 337 N ASN A 21 -1.392 11.963 -3.220 1.00 0.00 N ATOM 338 CA ASN A 21 -2.772 12.386 -2.999 1.00 0.00 C ATOM 339 C ASN A 21 -3.440 11.603 -1.880 1.00 0.00 C ATOM 340 O ASN A 21 -4.563 11.924 -1.499 1.00 0.00 O ATOM 341 CB ASN A 21 -3.571 12.219 -4.296 1.00 0.00 C ATOM 342 CG ASN A 21 -2.881 12.936 -5.455 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.481 14.093 -5.327 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.719 12.314 -6.589 1.00 0.00 N ATOM 0 H ASN A 21 -1.252 10.959 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.754 13.434 -2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.677 11.160 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.577 12.618 -4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.261 12.786 -7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.050 11.355 -6.697 1.00 0.00 H new ATOM 351 N LEU A 22 -2.764 10.581 -1.349 1.00 0.00 N ATOM 352 CA LEU A 22 -3.344 9.780 -0.281 1.00 0.00 C ATOM 353 C LEU A 22 -3.463 10.527 1.034 1.00 0.00 C ATOM 354 O LEU A 22 -2.788 11.528 1.280 1.00 0.00 O ATOM 355 CB LEU A 22 -2.488 8.557 0.016 1.00 0.00 C ATOM 356 CG LEU A 22 -2.545 7.524 -1.108 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.778 6.270 -0.664 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.995 7.142 -1.386 1.00 0.00 C ATOM 0 H LEU A 22 -1.829 10.296 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.334 9.512 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.455 8.868 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.824 8.098 0.946 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.101 7.943 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.811 5.524 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.741 6.533 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.237 5.862 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.030 6.405 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.439 6.719 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.554 8.029 -1.684 1.00 0.00 H new ATOM 370 N ASN A 23 -4.287 9.943 1.893 1.00 0.00 N ATOM 371 CA ASN A 23 -4.494 10.423 3.243 1.00 0.00 C ATOM 372 C ASN A 23 -3.994 9.324 4.169 1.00 0.00 C ATOM 373 O ASN A 23 -4.025 8.147 3.793 1.00 0.00 O ATOM 374 CB ASN A 23 -5.983 10.660 3.525 1.00 0.00 C ATOM 375 CG ASN A 23 -6.646 11.404 2.373 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.103 12.381 1.857 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.799 10.986 1.937 1.00 0.00 N ATOM 0 H ASN A 23 -4.835 9.113 1.665 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.970 11.367 3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.484 9.704 3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.096 11.233 4.445 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.257 11.468 1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.244 10.176 2.368 1.00 0.00 H new ATOM 384 N GLY A 24 -3.553 9.686 5.367 1.00 0.00 N ATOM 385 CA GLY A 24 -3.078 8.689 6.321 1.00 0.00 C ATOM 386 C GLY A 24 -4.108 7.570 6.470 1.00 0.00 C ATOM 387 O GLY A 24 -3.759 6.440 6.792 1.00 0.00 O ATOM 0 H GLY A 24 -3.514 10.649 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.127 8.276 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.897 9.158 7.288 1.00 0.00 H new ATOM 391 N VAL A 25 -5.379 7.906 6.210 1.00 0.00 N ATOM 392 CA VAL A 25 -6.468 6.938 6.298 1.00 0.00 C ATOM 393 C VAL A 25 -6.435 5.965 5.118 1.00 0.00 C ATOM 394 O VAL A 25 -6.522 4.751 5.308 1.00 0.00 O ATOM 395 CB VAL A 25 -7.814 7.679 6.314 1.00 0.00 C ATOM 396 CG1 VAL A 25 -8.961 6.664 6.406 1.00 0.00 C ATOM 397 CG2 VAL A 25 -7.863 8.617 7.526 1.00 0.00 C ATOM 0 H VAL A 25 -5.673 8.844 5.937 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.347 6.367 7.219 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.919 8.260 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.914 7.192 6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.926 5.997 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.858 6.081 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.817 9.144 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.757 8.035 8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.050 9.340 7.460 1.00 0.00 H new ATOM 407 N GLN A 26 -6.317 6.509 3.900 1.00 0.00 N ATOM 408 CA GLN A 26 -6.285 5.691 2.698 1.00 0.00 C ATOM 409 C GLN A 26 -5.042 4.837 2.655 1.00 0.00 C ATOM 410 O GLN A 26 -5.110 3.654 2.324 1.00 0.00 O ATOM 411 CB GLN A 26 -6.360 6.602 1.479 1.00 0.00 C ATOM 412 CG GLN A 26 -7.734 7.281 1.472 1.00 0.00 C ATOM 413 CD GLN A 26 -7.970 8.049 0.169 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.972 8.749 0.040 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.120 7.950 -0.812 1.00 0.00 N ATOM 0 H GLN A 26 -6.243 7.512 3.729 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.140 5.015 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.567 7.349 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.216 6.026 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.513 6.530 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.808 7.965 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.287 7.370 -0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.287 8.452 -1.684 1.00 0.00 H new ATOM 424 N VAL A 27 -3.913 5.427 3.024 1.00 0.00 N ATOM 425 CA VAL A 27 -2.672 4.680 3.044 1.00 0.00 C ATOM 426 C VAL A 27 -2.801 3.551 4.047 1.00 0.00 C ATOM 427 O VAL A 27 -2.561 2.399 3.723 1.00 0.00 O ATOM 428 CB VAL A 27 -1.509 5.583 3.458 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.217 4.760 3.421 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.406 6.770 2.495 1.00 0.00 C ATOM 0 H VAL A 27 -3.834 6.403 3.308 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.475 4.288 2.046 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.673 5.967 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.624 5.389 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.300 3.921 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.054 4.384 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.576 7.410 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.235 6.404 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.334 7.342 2.522 1.00 0.00 H new ATOM 440 N LYS A 28 -3.232 3.917 5.250 1.00 0.00 N ATOM 441 CA LYS A 28 -3.439 2.975 6.346 1.00 0.00 C ATOM 442 C LYS A 28 -4.360 1.863 5.895 1.00 0.00 C ATOM 443 O LYS A 28 -4.177 0.719 6.276 1.00 0.00 O ATOM 444 CB LYS A 28 -4.035 3.711 7.561 1.00 0.00 C ATOM 445 CG LYS A 28 -4.303 2.742 8.728 1.00 0.00 C ATOM 446 CD LYS A 28 -2.977 2.228 9.312 1.00 0.00 C ATOM 447 CE LYS A 28 -3.201 1.660 10.723 1.00 0.00 C ATOM 448 NZ LYS A 28 -4.489 0.907 10.777 1.00 0.00 N ATOM 0 H LYS A 28 -3.449 4.883 5.494 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.483 2.541 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.350 4.494 7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.965 4.201 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.878 3.247 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.905 1.902 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.561 1.457 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.250 3.039 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.375 1.002 10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.214 2.471 11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.535 0.362 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.284 1.576 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.546 0.258 9.966 1.00 0.00 H new ATOM 462 N ALA A 29 -5.327 2.207 5.053 1.00 0.00 N ATOM 463 CA ALA A 29 -6.245 1.221 4.523 1.00 0.00 C ATOM 464 C ALA A 29 -5.468 0.208 3.703 1.00 0.00 C ATOM 465 O ALA A 29 -5.681 -0.998 3.819 1.00 0.00 O ATOM 466 CB ALA A 29 -7.278 1.903 3.635 1.00 0.00 C ATOM 0 H ALA A 29 -5.491 3.159 4.727 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.754 0.720 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.966 1.157 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.834 2.635 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.773 2.406 2.810 1.00 0.00 H new ATOM 472 N PHE A 30 -4.544 0.716 2.886 1.00 0.00 N ATOM 473 CA PHE A 30 -3.723 -0.125 2.076 1.00 0.00 C ATOM 474 C PHE A 30 -2.694 -0.812 2.955 1.00 0.00 C ATOM 475 O PHE A 30 -2.402 -1.993 2.770 1.00 0.00 O ATOM 476 CB PHE A 30 -3.099 0.703 0.965 1.00 0.00 C ATOM 477 CG PHE A 30 -4.214 1.301 0.126 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.233 0.473 -0.375 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.250 2.677 -0.135 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.264 1.019 -1.131 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.281 3.212 -0.893 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.289 2.384 -1.396 1.00 0.00 C ATOM 0 H PHE A 30 -4.360 1.714 2.782 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.313 -0.908 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.476 1.493 1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.452 0.081 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.215 -0.588 -0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.475 3.321 0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.047 0.382 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.305 4.273 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.087 2.804 -1.990 1.00 0.00 H new ATOM 492 N ILE A 31 -2.192 -0.077 3.959 1.00 0.00 N ATOM 493 CA ILE A 31 -1.248 -0.650 4.904 1.00 0.00 C ATOM 494 C ILE A 31 -1.975 -1.778 5.644 1.00 0.00 C ATOM 495 O ILE A 31 -1.381 -2.806 5.977 1.00 0.00 O ATOM 496 CB ILE A 31 -0.725 0.387 5.938 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.234 1.718 5.295 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.450 -0.231 6.702 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.312 1.522 3.885 1.00 0.00 C ATOM 0 H ILE A 31 -2.426 0.901 4.128 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.378 -1.009 4.354 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.564 0.630 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.060 2.429 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.542 2.156 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.827 0.486 7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.116 -1.131 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.245 -0.488 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.640 2.482 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.157 0.834 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.469 1.111 3.246 1.00 0.00 H new ATOM 511 N ASP A 32 -3.283 -1.573 5.875 1.00 0.00 N ATOM 512 CA ASP A 32 -4.110 -2.572 6.547 1.00 0.00 C ATOM 513 C ASP A 32 -4.305 -3.779 5.640 1.00 0.00 C ATOM 514 O ASP A 32 -4.261 -4.924 6.093 1.00 0.00 O ATOM 515 CB ASP A 32 -5.474 -1.966 6.936 1.00 0.00 C ATOM 516 CG ASP A 32 -5.329 -0.960 8.090 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.287 -0.942 8.732 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.268 -0.217 8.314 1.00 0.00 O ATOM 0 H ASP A 32 -3.783 -0.726 5.605 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.604 -2.894 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.914 -1.470 6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.158 -2.762 7.229 1.00 0.00 H new ATOM 523 N SER A 33 -4.501 -3.504 4.350 1.00 0.00 N ATOM 524 CA SER A 33 -4.683 -4.559 3.359 1.00 0.00 C ATOM 525 C SER A 33 -3.426 -5.424 3.278 1.00 0.00 C ATOM 526 O SER A 33 -3.504 -6.627 3.020 1.00 0.00 O ATOM 527 CB SER A 33 -4.987 -3.950 1.992 1.00 0.00 C ATOM 528 OG SER A 33 -6.083 -3.052 2.106 1.00 0.00 O ATOM 0 H SER A 33 -4.537 -2.558 3.969 1.00 0.00 H new ATOM 0 HA SER A 33 -5.524 -5.184 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.110 -3.424 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.221 -4.737 1.275 1.00 0.00 H new ATOM 0 HG SER A 33 -5.806 -2.261 2.614 1.00 0.00 H new ATOM 534 N LEU A 34 -2.266 -4.794 3.506 1.00 0.00 N ATOM 535 CA LEU A 34 -0.985 -5.504 3.465 1.00 0.00 C ATOM 536 C LEU A 34 -1.003 -6.653 4.466 1.00 0.00 C ATOM 537 O LEU A 34 -0.626 -7.782 4.151 1.00 0.00 O ATOM 538 CB LEU A 34 0.163 -4.538 3.858 1.00 0.00 C ATOM 539 CG LEU A 34 1.157 -4.307 2.713 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.458 -5.617 1.978 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.557 -3.264 1.768 1.00 0.00 C ATOM 0 H LEU A 34 -2.190 -3.799 3.719 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.828 -5.884 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.261 -3.582 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.694 -4.942 4.720 1.00 0.00 H new ATOM 0 HG LEU A 34 2.106 -3.943 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.165 -5.427 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.888 -6.335 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.535 -6.022 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.246 -3.081 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.391 -3.632 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.388 -2.335 2.312 1.00 0.00 H new ATOM 553 N ARG A 35 -1.455 -6.338 5.674 1.00 0.00 N ATOM 554 CA ARG A 35 -1.550 -7.322 6.751 1.00 0.00 C ATOM 555 C ARG A 35 -2.549 -8.418 6.384 1.00 0.00 C ATOM 556 O ARG A 35 -2.322 -9.598 6.651 1.00 0.00 O ATOM 557 CB ARG A 35 -2.006 -6.624 8.036 1.00 0.00 C ATOM 558 CG ARG A 35 -0.923 -5.639 8.514 1.00 0.00 C ATOM 559 CD ARG A 35 -1.576 -4.361 9.058 1.00 0.00 C ATOM 560 NE ARG A 35 -2.733 -4.683 9.889 1.00 0.00 N ATOM 561 CZ ARG A 35 -3.702 -3.798 10.095 1.00 0.00 C ATOM 562 NH1 ARG A 35 -3.552 -2.862 10.989 1.00 0.00 N ATOM 563 NH2 ARG A 35 -4.801 -3.865 9.401 1.00 0.00 N ATOM 0 H ARG A 35 -1.764 -5.402 5.936 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.571 -7.776 6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.940 -6.092 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.203 -7.364 8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.314 -6.104 9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.255 -5.392 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.849 -3.796 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.884 -3.723 8.229 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.798 -5.605 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.690 -2.808 11.531 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.297 -2.183 11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.918 -4.597 8.700 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.546 -3.186 9.558 1.00 0.00 H new ATOM 577 N ASP A 36 -3.653 -8.003 5.758 1.00 0.00 N ATOM 578 CA ASP A 36 -4.702 -8.930 5.334 1.00 0.00 C ATOM 579 C ASP A 36 -4.177 -9.878 4.264 1.00 0.00 C ATOM 580 O ASP A 36 -4.609 -11.029 4.165 1.00 0.00 O ATOM 581 CB ASP A 36 -5.903 -8.145 4.791 1.00 0.00 C ATOM 582 CG ASP A 36 -7.071 -9.091 4.514 1.00 0.00 C ATOM 583 OD1 ASP A 36 -7.804 -9.385 5.444 1.00 0.00 O ATOM 584 OD2 ASP A 36 -7.211 -9.512 3.377 1.00 0.00 O ATOM 0 H ASP A 36 -3.843 -7.026 5.533 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.016 -9.518 6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.205 -7.384 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.622 -7.624 3.875 1.00 0.00 H new ATOM 589 N ASP A 37 -3.236 -9.374 3.479 1.00 0.00 N ATOM 590 CA ASP A 37 -2.622 -10.145 2.413 1.00 0.00 C ATOM 591 C ASP A 37 -1.345 -9.455 1.955 1.00 0.00 C ATOM 592 O ASP A 37 -1.390 -8.435 1.259 1.00 0.00 O ATOM 593 CB ASP A 37 -3.584 -10.320 1.229 1.00 0.00 C ATOM 594 CG ASP A 37 -3.158 -11.517 0.369 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.972 -11.640 0.091 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.024 -12.288 -0.007 1.00 0.00 O ATOM 0 H ASP A 37 -2.879 -8.422 3.564 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.382 -11.136 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.599 -10.470 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.595 -9.414 0.623 1.00 0.00 H new ATOM 601 N PRO A 38 -0.213 -9.983 2.345 1.00 0.00 N ATOM 602 CA PRO A 38 1.107 -9.408 1.986 1.00 0.00 C ATOM 603 C PRO A 38 1.465 -9.599 0.515 1.00 0.00 C ATOM 604 O PRO A 38 2.256 -8.833 -0.038 1.00 0.00 O ATOM 605 CB PRO A 38 2.094 -10.118 2.918 1.00 0.00 C ATOM 606 CG PRO A 38 1.301 -11.033 3.795 1.00 0.00 C ATOM 607 CD PRO A 38 -0.063 -11.194 3.164 1.00 0.00 C ATOM 0 HA PRO A 38 1.119 -8.325 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.829 -10.680 2.342 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.645 -9.393 3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.797 -11.999 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.213 -10.620 4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.119 -12.098 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.847 -11.267 3.918 1.00 0.00 H new ATOM 615 N SER A 39 0.868 -10.606 -0.115 1.00 0.00 N ATOM 616 CA SER A 39 1.115 -10.874 -1.529 1.00 0.00 C ATOM 617 C SER A 39 0.480 -9.782 -2.387 1.00 0.00 C ATOM 618 O SER A 39 0.900 -9.540 -3.520 1.00 0.00 O ATOM 619 CB SER A 39 0.530 -12.235 -1.916 1.00 0.00 C ATOM 620 OG SER A 39 0.920 -13.207 -0.954 1.00 0.00 O ATOM 0 H SER A 39 0.212 -11.248 0.329 1.00 0.00 H new ATOM 0 HA SER A 39 2.191 -10.885 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.557 -12.174 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.881 -12.526 -2.906 1.00 0.00 H new ATOM 0 HG SER A 39 0.545 -14.079 -1.199 1.00 0.00 H new ATOM 626 N GLN A 40 -0.554 -9.150 -1.832 1.00 0.00 N ATOM 627 CA GLN A 40 -1.289 -8.102 -2.532 1.00 0.00 C ATOM 628 C GLN A 40 -0.600 -6.759 -2.493 1.00 0.00 C ATOM 629 O GLN A 40 -1.087 -5.840 -3.120 1.00 0.00 O ATOM 630 CB GLN A 40 -2.681 -7.927 -1.909 1.00 0.00 C ATOM 631 CG GLN A 40 -3.483 -9.223 -2.012 1.00 0.00 C ATOM 632 CD GLN A 40 -3.766 -9.569 -3.473 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.301 -8.747 -4.218 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.432 -10.744 -3.929 1.00 0.00 N ATOM 0 H GLN A 40 -0.902 -9.349 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.350 -8.427 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.583 -7.636 -0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.214 -7.122 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.931 -10.036 -1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.423 -9.119 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.989 -11.424 -3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.614 -10.983 -4.904 1.00 0.00 H new ATOM 643 N SER A 41 0.500 -6.630 -1.759 1.00 0.00 N ATOM 644 CA SER A 41 1.170 -5.342 -1.620 1.00 0.00 C ATOM 645 C SER A 41 1.185 -4.545 -2.926 1.00 0.00 C ATOM 646 O SER A 41 0.931 -3.346 -2.904 1.00 0.00 O ATOM 647 CB SER A 41 2.608 -5.587 -1.120 1.00 0.00 C ATOM 648 OG SER A 41 3.552 -5.322 -2.155 1.00 0.00 O ATOM 0 H SER A 41 0.945 -7.397 -1.254 1.00 0.00 H new ATOM 0 HA SER A 41 0.614 -4.742 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.814 -4.948 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.710 -6.618 -0.782 1.00 0.00 H new ATOM 0 HG SER A 41 4.459 -5.481 -1.819 1.00 0.00 H new ATOM 654 N ALA A 42 1.423 -5.210 -4.047 1.00 0.00 N ATOM 655 CA ALA A 42 1.425 -4.536 -5.340 1.00 0.00 C ATOM 656 C ALA A 42 0.016 -4.085 -5.730 1.00 0.00 C ATOM 657 O ALA A 42 -0.170 -3.037 -6.347 1.00 0.00 O ATOM 658 CB ALA A 42 1.970 -5.483 -6.397 1.00 0.00 C ATOM 0 H ALA A 42 1.616 -6.211 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 42 2.057 -3.651 -5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.974 -4.984 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.987 -5.774 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.340 -6.371 -6.449 1.00 0.00 H new ATOM 664 N ASN A 43 -0.968 -4.891 -5.353 1.00 0.00 N ATOM 665 CA ASN A 43 -2.362 -4.602 -5.621 1.00 0.00 C ATOM 666 C ASN A 43 -2.826 -3.450 -4.742 1.00 0.00 C ATOM 667 O ASN A 43 -3.563 -2.578 -5.167 1.00 0.00 O ATOM 668 CB ASN A 43 -3.200 -5.846 -5.348 1.00 0.00 C ATOM 669 CG ASN A 43 -4.577 -5.742 -6.003 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.007 -4.662 -6.415 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.297 -6.817 -6.125 1.00 0.00 N ATOM 0 H ASN A 43 -0.816 -5.766 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.481 -4.315 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.681 -6.727 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.316 -5.981 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.218 -6.767 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.942 -7.710 -5.784 1.00 0.00 H new ATOM 678 N LEU A 44 -2.351 -3.472 -3.507 1.00 0.00 N ATOM 679 CA LEU A 44 -2.651 -2.450 -2.521 1.00 0.00 C ATOM 680 C LEU A 44 -2.067 -1.172 -3.036 1.00 0.00 C ATOM 681 O LEU A 44 -2.679 -0.115 -2.964 1.00 0.00 O ATOM 682 CB LEU A 44 -2.059 -2.890 -1.175 1.00 0.00 C ATOM 683 CG LEU A 44 -2.517 -4.336 -0.940 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.068 -4.884 0.391 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.022 -4.418 -1.052 1.00 0.00 C ATOM 0 H LEU A 44 -1.739 -4.210 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.719 -2.301 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.971 -2.827 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.403 -2.240 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.049 -4.951 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.422 -5.909 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.979 -4.868 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.478 -4.271 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.344 -5.446 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.478 -3.769 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.331 -4.099 -2.047 1.00 0.00 H new ATOM 697 N LEU A 45 -0.908 -1.335 -3.652 1.00 0.00 N ATOM 698 CA LEU A 45 -0.229 -0.249 -4.319 1.00 0.00 C ATOM 699 C LEU A 45 -1.129 0.248 -5.427 1.00 0.00 C ATOM 700 O LEU A 45 -1.295 1.438 -5.640 1.00 0.00 O ATOM 701 CB LEU A 45 1.031 -0.782 -5.003 1.00 0.00 C ATOM 702 CG LEU A 45 2.302 -0.254 -4.396 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.217 1.267 -4.187 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.484 -1.037 -3.108 1.00 0.00 C ATOM 0 H LEU A 45 -0.415 -2.227 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 45 0.015 0.529 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.034 -1.871 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.003 -0.517 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 45 3.170 -0.390 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.147 1.626 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.056 1.758 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.387 1.497 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.394 -0.707 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.628 -0.867 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.561 -2.100 -3.336 1.00 0.00 H new ATOM 716 N ALA A 46 -1.686 -0.732 -6.136 1.00 0.00 N ATOM 717 CA ALA A 46 -2.564 -0.487 -7.267 1.00 0.00 C ATOM 718 C ALA A 46 -3.786 0.270 -6.815 1.00 0.00 C ATOM 719 O ALA A 46 -4.187 1.269 -7.412 1.00 0.00 O ATOM 720 CB ALA A 46 -3.011 -1.828 -7.849 1.00 0.00 C ATOM 0 H ALA A 46 -1.537 -1.721 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.028 0.096 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.671 -1.654 -8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.138 -2.392 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.544 -2.396 -7.086 1.00 0.00 H new ATOM 726 N GLU A 47 -4.344 -0.219 -5.726 1.00 0.00 N ATOM 727 CA GLU A 47 -5.492 0.373 -5.119 1.00 0.00 C ATOM 728 C GLU A 47 -5.124 1.745 -4.601 1.00 0.00 C ATOM 729 O GLU A 47 -5.930 2.674 -4.606 1.00 0.00 O ATOM 730 CB GLU A 47 -5.910 -0.513 -3.972 1.00 0.00 C ATOM 731 CG GLU A 47 -6.555 -1.818 -4.471 1.00 0.00 C ATOM 732 CD GLU A 47 -7.654 -1.538 -5.501 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.564 -0.786 -5.191 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.560 -2.076 -6.592 1.00 0.00 O ATOM 0 H GLU A 47 -4.000 -1.048 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.307 0.473 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.041 -0.748 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.615 0.022 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.792 -2.457 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.976 -2.364 -3.627 1.00 0.00 H new ATOM 741 N ALA A 48 -3.879 1.843 -4.168 1.00 0.00 N ATOM 742 CA ALA A 48 -3.341 3.081 -3.658 1.00 0.00 C ATOM 743 C ALA A 48 -3.221 4.073 -4.788 1.00 0.00 C ATOM 744 O ALA A 48 -3.617 5.227 -4.654 1.00 0.00 O ATOM 745 CB ALA A 48 -1.960 2.839 -3.067 1.00 0.00 C ATOM 0 H ALA A 48 -3.218 1.066 -4.162 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.005 3.470 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.559 3.777 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.034 2.117 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.297 2.450 -3.839 1.00 0.00 H new ATOM 751 N LYS A 49 -2.699 3.592 -5.920 1.00 0.00 N ATOM 752 CA LYS A 49 -2.556 4.433 -7.094 1.00 0.00 C ATOM 753 C LYS A 49 -3.940 4.890 -7.489 1.00 0.00 C ATOM 754 O LYS A 49 -4.146 6.026 -7.883 1.00 0.00 O ATOM 755 CB LYS A 49 -1.960 3.648 -8.276 1.00 0.00 C ATOM 756 CG LYS A 49 -0.552 3.092 -7.979 1.00 0.00 C ATOM 757 CD LYS A 49 0.210 3.988 -7.003 1.00 0.00 C ATOM 758 CE LYS A 49 1.651 3.485 -6.849 1.00 0.00 C ATOM 759 NZ LYS A 49 2.482 4.002 -7.972 1.00 0.00 N ATOM 0 H LYS A 49 -2.374 2.633 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.892 5.265 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.625 2.822 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.912 4.298 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.637 2.088 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.010 3.005 -8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.211 5.016 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.289 3.992 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.063 3.816 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.668 2.395 -6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.459 3.661 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.093 3.665 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.475 5.042 -7.959 1.00 0.00 H new ATOM 773 N LYS A 50 -4.884 3.964 -7.347 1.00 0.00 N ATOM 774 CA LYS A 50 -6.275 4.225 -7.665 1.00 0.00 C ATOM 775 C LYS A 50 -6.869 5.250 -6.718 1.00 0.00 C ATOM 776 O LYS A 50 -7.586 6.155 -7.151 1.00 0.00 O ATOM 777 CB LYS A 50 -7.076 2.919 -7.616 1.00 0.00 C ATOM 778 CG LYS A 50 -6.825 2.104 -8.891 1.00 0.00 C ATOM 779 CD LYS A 50 -7.251 0.651 -8.657 1.00 0.00 C ATOM 780 CE LYS A 50 -8.755 0.585 -8.371 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.222 -0.825 -8.476 1.00 0.00 N ATOM 0 H LYS A 50 -4.703 3.018 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.327 4.635 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.788 2.338 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.139 3.138 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.385 2.529 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.770 2.146 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.012 0.048 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.694 0.231 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.963 0.974 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.298 1.212 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.208 -0.889 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.163 -1.138 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.622 -1.434 -7.884 1.00 0.00 H new ATOM 795 N LEU A 51 -6.553 5.126 -5.431 1.00 0.00 N ATOM 796 CA LEU A 51 -7.064 6.087 -4.457 1.00 0.00 C ATOM 797 C LEU A 51 -6.373 7.426 -4.661 1.00 0.00 C ATOM 798 O LEU A 51 -7.011 8.477 -4.628 1.00 0.00 O ATOM 799 CB LEU A 51 -6.912 5.581 -3.010 1.00 0.00 C ATOM 800 CG LEU A 51 -8.313 5.246 -2.439 1.00 0.00 C ATOM 801 CD1 LEU A 51 -8.206 4.807 -0.974 1.00 0.00 C ATOM 802 CD2 LEU A 51 -9.239 6.478 -2.532 1.00 0.00 C ATOM 0 H LEU A 51 -5.961 4.390 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.134 6.212 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.275 4.697 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.427 6.340 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.732 4.431 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.200 4.576 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.575 3.921 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.767 5.612 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.220 6.228 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.809 7.300 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.343 6.777 -3.575 1.00 0.00 H new ATOM 814 N ASN A 52 -5.068 7.368 -4.913 1.00 0.00 N ATOM 815 CA ASN A 52 -4.284 8.566 -5.180 1.00 0.00 C ATOM 816 C ASN A 52 -4.786 9.243 -6.448 1.00 0.00 C ATOM 817 O ASN A 52 -4.977 10.454 -6.481 1.00 0.00 O ATOM 818 CB ASN A 52 -2.827 8.169 -5.362 1.00 0.00 C ATOM 819 CG ASN A 52 -1.978 9.355 -5.800 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.490 10.105 -4.966 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.772 9.564 -7.069 1.00 0.00 N ATOM 0 H ASN A 52 -4.532 6.501 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.382 9.260 -4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.438 7.767 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.755 7.374 -6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.202 10.355 -7.370 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.180 8.937 -7.762 1.00 0.00 H new ATOM 828 N ASP A 53 -5.006 8.430 -7.483 1.00 0.00 N ATOM 829 CA ASP A 53 -5.504 8.919 -8.759 1.00 0.00 C ATOM 830 C ASP A 53 -6.860 9.565 -8.556 1.00 0.00 C ATOM 831 O ASP A 53 -7.161 10.619 -9.118 1.00 0.00 O ATOM 832 CB ASP A 53 -5.605 7.754 -9.762 1.00 0.00 C ATOM 833 CG ASP A 53 -4.214 7.302 -10.246 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.238 7.991 -9.980 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.149 6.257 -10.870 1.00 0.00 O ATOM 0 H ASP A 53 -4.844 7.423 -7.456 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.815 9.662 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.119 6.914 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.207 8.060 -10.617 1.00 0.00 H new ATOM 840 N ALA A 54 -7.651 8.926 -7.710 1.00 0.00 N ATOM 841 CA ALA A 54 -8.968 9.419 -7.365 1.00 0.00 C ATOM 842 C ALA A 54 -8.835 10.706 -6.556 1.00 0.00 C ATOM 843 O ALA A 54 -9.670 11.606 -6.658 1.00 0.00 O ATOM 844 CB ALA A 54 -9.719 8.367 -6.549 1.00 0.00 C ATOM 0 H ALA A 54 -7.397 8.054 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.527 9.624 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.709 8.744 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.819 7.454 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.165 8.152 -5.635 1.00 0.00 H new ATOM 850 N GLN A 55 -7.759 10.782 -5.762 1.00 0.00 N ATOM 851 CA GLN A 55 -7.494 11.958 -4.939 1.00 0.00 C ATOM 852 C GLN A 55 -6.626 12.967 -5.693 1.00 0.00 C ATOM 853 O GLN A 55 -6.278 14.023 -5.161 1.00 0.00 O ATOM 854 CB GLN A 55 -6.828 11.529 -3.626 1.00 0.00 C ATOM 855 CG GLN A 55 -7.924 11.098 -2.640 1.00 0.00 C ATOM 856 CD GLN A 55 -7.456 11.295 -1.208 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.935 12.186 -0.511 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.540 10.514 -0.734 1.00 0.00 N ATOM 0 H GLN A 55 -7.062 10.042 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.439 12.449 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.135 10.707 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.247 12.352 -3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.829 11.679 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.179 10.051 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.147 9.776 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.211 10.636 0.224 1.00 0.00 H new ATOM 867 N ALA A 56 -6.292 12.631 -6.940 1.00 0.00 N ATOM 868 CA ALA A 56 -5.471 13.501 -7.779 1.00 0.00 C ATOM 869 C ALA A 56 -6.300 14.638 -8.360 1.00 0.00 C ATOM 870 O ALA A 56 -7.532 14.595 -8.343 1.00 0.00 O ATOM 871 CB ALA A 56 -4.823 12.695 -8.909 1.00 0.00 C ATOM 0 H ALA A 56 -6.578 11.762 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.688 13.930 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.215 13.357 -9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.193 11.914 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.600 12.240 -9.523 1.00 0.00 H new ATOM 877 N PRO A 57 -5.641 15.659 -8.856 1.00 0.00 N ATOM 878 CA PRO A 57 -6.312 16.848 -9.439 1.00 0.00 C ATOM 879 C PRO A 57 -6.861 16.573 -10.837 1.00 0.00 C ATOM 880 O PRO A 57 -6.477 15.595 -11.483 1.00 0.00 O ATOM 881 CB PRO A 57 -5.212 17.920 -9.475 1.00 0.00 C ATOM 882 CG PRO A 57 -3.969 17.297 -8.925 1.00 0.00 C ATOM 883 CD PRO A 57 -4.178 15.795 -8.929 1.00 0.00 C ATOM 0 HA PRO A 57 -7.179 17.152 -8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.049 18.269 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.501 18.788 -8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.104 17.566 -9.531 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.774 17.655 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.775 15.335 -9.831 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.686 15.318 -8.081 1.00 0.00 H new ATOM 891 N LYS A 58 -7.749 17.460 -11.291 1.00 0.00 N ATOM 892 CA LYS A 58 -8.366 17.350 -12.615 1.00 0.00 C ATOM 893 C LYS A 58 -8.956 15.945 -12.839 1.00 0.00 C ATOM 894 O LYS A 58 -9.994 15.671 -12.260 1.00 0.00 O ATOM 895 CB LYS A 58 -7.328 17.698 -13.694 1.00 0.00 C ATOM 896 CG LYS A 58 -6.776 19.106 -13.432 1.00 0.00 C ATOM 897 CD LYS A 58 -5.916 19.567 -14.615 1.00 0.00 C ATOM 898 CE LYS A 58 -4.658 18.690 -14.736 1.00 0.00 C ATOM 899 NZ LYS A 58 -4.960 17.495 -15.577 1.00 0.00 N ATOM 900 OXT LYS A 58 -8.367 15.165 -13.575 1.00 0.00 O ATOM 0 H LYS A 58 -8.059 18.270 -10.755 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.193 18.058 -12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.517 16.969 -13.683 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.785 17.652 -14.683 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.599 19.804 -13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.181 19.107 -12.519 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.495 19.513 -15.537 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.629 20.610 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.844 19.263 -15.180 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.325 18.376 -13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.884 16.635 -14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.925 17.573 -15.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.281 17.443 -16.363 1.00 0.00 H new TER 914 LYS A 58