USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=11 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 40 GLN : amide:sc= 0.157 K(o=0.38,f=-2.1) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.226 K(o=0.38,f=-2.1) USER MOD Set 2.1: A 26 GLN : amide:sc= -9.04! C(o=-12!,f=-18!) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.19 K(o=-12,f=-11) USER MOD Set 3.1: A 21 ASN : amide:sc= -4.94 K(o=-7.9,f=-2.4) USER MOD Set 3.2: A 52 ASN : amide:sc= -2.98! C(o=-7.9!,f=-4.5!) USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.085 (180deg=-0.645) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= -1.22 (180deg=-2.34!) USER MOD Single : A 6 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.38) USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= 1.29 (180deg=-0.926) USER MOD Single : A 13 THR OG1 : rot 59:sc= 0.866 USER MOD Single : A 18 ASN : amide:sc= -2.57 X(o=-2.6,f=-2.4) USER MOD Single : A 23 ASN : amide:sc= -2.98 K(o=-3,f=-0.039) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0.858 (180deg=0.646) USER MOD Single : A 33 SER OG : rot 150:sc= -0.576 USER MOD Single : A 39 SER OG : rot -29:sc= 0.0417 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0749) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -1.21! (180deg=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0716) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 20.454 -11.421 4.267 1.00 0.00 N ATOM 2 CA VAL A 1 20.650 -12.789 4.827 1.00 0.00 C ATOM 3 C VAL A 1 19.311 -13.312 5.341 1.00 0.00 C ATOM 4 O VAL A 1 18.852 -14.380 4.931 1.00 0.00 O ATOM 5 CB VAL A 1 21.677 -12.733 5.974 1.00 0.00 C ATOM 6 CG1 VAL A 1 21.922 -14.144 6.528 1.00 0.00 C ATOM 7 CG2 VAL A 1 23.002 -12.155 5.455 1.00 0.00 C ATOM 0 H1 VAL A 1 21.249 -11.186 3.639 1.00 0.00 H new ATOM 0 H2 VAL A 1 19.566 -11.391 3.727 1.00 0.00 H new ATOM 0 H3 VAL A 1 20.410 -10.731 5.044 1.00 0.00 H new ATOM 0 HA VAL A 1 21.025 -13.459 4.053 1.00 0.00 H new ATOM 0 HB VAL A 1 21.286 -12.096 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 1 22.649 -14.095 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 1 20.985 -14.555 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 1 22.306 -14.785 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 1 23.726 -12.117 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 1 23.387 -12.789 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 1 22.834 -11.149 5.071 1.00 0.00 H new ATOM 19 N ASP A 2 18.691 -12.544 6.239 1.00 0.00 N ATOM 20 CA ASP A 2 17.401 -12.922 6.812 1.00 0.00 C ATOM 21 C ASP A 2 16.307 -12.871 5.744 1.00 0.00 C ATOM 22 O ASP A 2 16.306 -11.980 4.891 1.00 0.00 O ATOM 23 CB ASP A 2 17.055 -11.975 7.970 1.00 0.00 C ATOM 24 CG ASP A 2 16.640 -10.599 7.440 1.00 0.00 C ATOM 25 OD1 ASP A 2 17.467 -9.943 6.828 1.00 0.00 O ATOM 26 OD2 ASP A 2 15.495 -10.230 7.644 1.00 0.00 O ATOM 0 H ASP A 2 19.062 -11.658 6.584 1.00 0.00 H new ATOM 0 HA ASP A 2 17.466 -13.943 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.246 -12.400 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.916 -11.871 8.631 1.00 0.00 H new ATOM 31 N ASN A 3 15.388 -13.834 5.795 1.00 0.00 N ATOM 32 CA ASN A 3 14.293 -13.900 4.829 1.00 0.00 C ATOM 33 C ASN A 3 12.944 -13.868 5.545 1.00 0.00 C ATOM 34 O ASN A 3 12.556 -14.838 6.201 1.00 0.00 O ATOM 35 CB ASN A 3 14.416 -15.183 3.994 1.00 0.00 C ATOM 36 CG ASN A 3 15.770 -15.222 3.284 1.00 0.00 C ATOM 37 OD1 ASN A 3 16.220 -14.212 2.741 1.00 0.00 O ATOM 38 ND2 ASN A 3 16.450 -16.334 3.259 1.00 0.00 N ATOM 0 H ASN A 3 15.380 -14.577 6.493 1.00 0.00 H new ATOM 0 HA ASN A 3 14.354 -13.034 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.309 -16.056 4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.611 -15.227 3.261 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.355 -16.368 2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.077 -17.170 3.709 1.00 0.00 H new ATOM 45 N LYS A 4 12.240 -12.742 5.412 1.00 0.00 N ATOM 46 CA LYS A 4 10.928 -12.569 6.039 1.00 0.00 C ATOM 47 C LYS A 4 9.952 -11.929 5.058 1.00 0.00 C ATOM 48 O LYS A 4 10.313 -11.005 4.324 1.00 0.00 O ATOM 49 CB LYS A 4 11.045 -11.687 7.291 1.00 0.00 C ATOM 50 CG LYS A 4 11.660 -12.490 8.450 1.00 0.00 C ATOM 51 CD LYS A 4 13.167 -12.211 8.546 1.00 0.00 C ATOM 52 CE LYS A 4 13.842 -13.289 9.403 1.00 0.00 C ATOM 53 NZ LYS A 4 14.368 -14.368 8.519 1.00 0.00 N ATOM 0 H LYS A 4 12.557 -11.935 4.875 1.00 0.00 H new ATOM 0 HA LYS A 4 10.555 -13.552 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.663 -10.815 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.061 -11.317 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.172 -12.222 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.489 -13.555 8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.608 -12.197 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.337 -11.227 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.654 -12.852 9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.128 -13.703 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.498 -15.238 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.693 -14.546 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.281 -14.074 8.118 1.00 0.00 H new ATOM 67 N PHE A 5 8.711 -12.420 5.059 1.00 0.00 N ATOM 68 CA PHE A 5 7.682 -11.881 4.171 1.00 0.00 C ATOM 69 C PHE A 5 7.281 -10.476 4.620 1.00 0.00 C ATOM 70 O PHE A 5 6.703 -9.703 3.855 1.00 0.00 O ATOM 71 CB PHE A 5 6.450 -12.802 4.166 1.00 0.00 C ATOM 72 CG PHE A 5 5.728 -12.714 5.499 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.161 -13.483 6.587 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.630 -11.855 5.642 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.496 -13.394 7.815 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.967 -11.766 6.871 1.00 0.00 C ATOM 77 CZ PHE A 5 4.399 -12.536 7.957 1.00 0.00 C ATOM 0 H PHE A 5 8.397 -13.183 5.659 1.00 0.00 H new ATOM 0 HA PHE A 5 8.087 -11.827 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.776 -12.516 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.756 -13.831 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.008 -14.144 6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.296 -11.262 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.829 -13.987 8.654 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.122 -11.103 6.982 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.886 -12.468 8.905 1.00 0.00 H new ATOM 87 N ASN A 6 7.600 -10.173 5.876 1.00 0.00 N ATOM 88 CA ASN A 6 7.292 -8.876 6.478 1.00 0.00 C ATOM 89 C ASN A 6 7.915 -7.733 5.676 1.00 0.00 C ATOM 90 O ASN A 6 7.407 -6.611 5.681 1.00 0.00 O ATOM 91 CB ASN A 6 7.821 -8.838 7.913 1.00 0.00 C ATOM 92 CG ASN A 6 7.208 -9.976 8.726 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.930 -10.827 9.247 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.913 -10.045 8.864 1.00 0.00 N ATOM 0 H ASN A 6 8.079 -10.818 6.505 1.00 0.00 H new ATOM 0 HA ASN A 6 6.210 -8.748 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.907 -8.926 7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.579 -7.880 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.497 -10.804 9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.316 -9.340 8.432 1.00 0.00 H new ATOM 101 N LYS A 7 9.027 -8.030 5.003 1.00 0.00 N ATOM 102 CA LYS A 7 9.733 -7.029 4.204 1.00 0.00 C ATOM 103 C LYS A 7 8.817 -6.424 3.144 1.00 0.00 C ATOM 104 O LYS A 7 8.897 -5.231 2.849 1.00 0.00 O ATOM 105 CB LYS A 7 10.958 -7.670 3.540 1.00 0.00 C ATOM 106 CG LYS A 7 11.939 -8.143 4.623 1.00 0.00 C ATOM 107 CD LYS A 7 13.206 -8.712 3.972 1.00 0.00 C ATOM 108 CE LYS A 7 14.120 -9.303 5.052 1.00 0.00 C ATOM 109 NZ LYS A 7 15.516 -9.377 4.539 1.00 0.00 N ATOM 0 H LYS A 7 9.458 -8.955 4.995 1.00 0.00 H new ATOM 0 HA LYS A 7 10.057 -6.225 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.650 -8.512 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.446 -6.951 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.199 -7.311 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.467 -8.903 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.940 -9.481 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.731 -7.927 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.084 -8.687 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.772 -10.297 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.825 -10.370 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.555 -8.979 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.145 -8.834 5.164 1.00 0.00 H new ATOM 123 N GLU A 8 7.945 -7.258 2.592 1.00 0.00 N ATOM 124 CA GLU A 8 6.996 -6.817 1.566 1.00 0.00 C ATOM 125 C GLU A 8 5.996 -5.823 2.141 1.00 0.00 C ATOM 126 O GLU A 8 5.520 -4.926 1.444 1.00 0.00 O ATOM 127 CB GLU A 8 6.241 -8.014 0.971 1.00 0.00 C ATOM 128 CG GLU A 8 7.211 -8.912 0.189 1.00 0.00 C ATOM 129 CD GLU A 8 7.729 -10.037 1.084 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.086 -11.073 1.124 1.00 0.00 O ATOM 131 OE2 GLU A 8 8.755 -9.844 1.720 1.00 0.00 O ATOM 0 H GLU A 8 7.872 -8.246 2.835 1.00 0.00 H new ATOM 0 HA GLU A 8 7.568 -6.328 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.765 -8.586 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.447 -7.662 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.707 -9.333 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.047 -8.319 -0.183 1.00 0.00 H new ATOM 138 N LEU A 9 5.677 -5.998 3.413 1.00 0.00 N ATOM 139 CA LEU A 9 4.727 -5.115 4.080 1.00 0.00 C ATOM 140 C LEU A 9 5.336 -3.737 4.274 1.00 0.00 C ATOM 141 O LEU A 9 4.643 -2.731 4.153 1.00 0.00 O ATOM 142 CB LEU A 9 4.299 -5.680 5.444 1.00 0.00 C ATOM 143 CG LEU A 9 3.422 -6.927 5.252 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.260 -8.060 4.655 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.853 -7.367 6.608 1.00 0.00 C ATOM 0 H LEU A 9 6.058 -6.738 4.003 1.00 0.00 H new ATOM 0 HA LEU A 9 3.845 -5.040 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.180 -5.934 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.749 -4.923 6.003 1.00 0.00 H new ATOM 0 HG LEU A 9 2.602 -6.691 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.635 -8.943 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.660 -7.748 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.083 -8.298 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.231 -8.252 6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.672 -7.601 7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.251 -6.561 7.029 1.00 0.00 H new ATOM 157 N GLY A 10 6.645 -3.697 4.528 1.00 0.00 N ATOM 158 CA GLY A 10 7.336 -2.430 4.691 1.00 0.00 C ATOM 159 C GLY A 10 7.507 -1.817 3.325 1.00 0.00 C ATOM 160 O GLY A 10 7.555 -0.596 3.162 1.00 0.00 O ATOM 0 H GLY A 10 7.238 -4.522 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.765 -1.765 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.306 -2.582 5.165 1.00 0.00 H new ATOM 164 N TRP A 11 7.601 -2.712 2.346 1.00 0.00 N ATOM 165 CA TRP A 11 7.778 -2.325 0.972 1.00 0.00 C ATOM 166 C TRP A 11 6.571 -1.560 0.445 1.00 0.00 C ATOM 167 O TRP A 11 6.700 -0.458 -0.069 1.00 0.00 O ATOM 168 CB TRP A 11 7.958 -3.595 0.135 1.00 0.00 C ATOM 169 CG TRP A 11 8.502 -3.223 -1.183 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.803 -3.049 -1.425 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.797 -2.969 -2.428 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.958 -2.669 -2.748 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.747 -2.621 -3.411 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.439 -3.003 -2.794 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.367 -2.317 -4.717 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.052 -2.700 -4.108 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.014 -2.358 -5.069 1.00 0.00 C ATOM 0 H TRP A 11 7.555 -3.720 2.494 1.00 0.00 H new ATOM 0 HA TRP A 11 8.650 -1.674 0.903 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.632 -4.287 0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.003 -4.108 0.018 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.601 -3.182 -0.709 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.856 -2.451 -3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.691 -3.264 -2.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.112 -2.052 -5.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.007 -2.730 -4.381 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.711 -2.127 -6.079 1.00 0.00 H new ATOM 188 N ALA A 12 5.396 -2.143 0.566 1.00 0.00 N ATOM 189 CA ALA A 12 4.205 -1.473 0.080 1.00 0.00 C ATOM 190 C ALA A 12 3.800 -0.279 0.935 1.00 0.00 C ATOM 191 O ALA A 12 3.222 0.673 0.433 1.00 0.00 O ATOM 192 CB ALA A 12 3.050 -2.439 -0.030 1.00 0.00 C ATOM 0 H ALA A 12 5.240 -3.059 0.987 1.00 0.00 H new ATOM 0 HA ALA A 12 4.457 -1.091 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.169 -1.912 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.309 -3.239 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.837 -2.864 0.951 1.00 0.00 H new ATOM 198 N THR A 13 4.056 -0.351 2.237 1.00 0.00 N ATOM 199 CA THR A 13 3.627 0.729 3.125 1.00 0.00 C ATOM 200 C THR A 13 4.233 2.051 2.718 1.00 0.00 C ATOM 201 O THR A 13 3.508 3.031 2.580 1.00 0.00 O ATOM 202 CB THR A 13 3.979 0.425 4.589 1.00 0.00 C ATOM 203 OG1 THR A 13 3.296 -0.749 4.999 1.00 0.00 O ATOM 204 CG2 THR A 13 3.558 1.601 5.488 1.00 0.00 C ATOM 0 H THR A 13 4.544 -1.122 2.693 1.00 0.00 H new ATOM 0 HA THR A 13 2.543 0.801 3.035 1.00 0.00 H new ATOM 0 HB THR A 13 5.055 0.278 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.558 -1.498 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.812 1.376 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.081 2.504 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.483 1.757 5.403 1.00 0.00 H new ATOM 212 N TRP A 14 5.540 2.071 2.495 1.00 0.00 N ATOM 213 CA TRP A 14 6.197 3.295 2.075 1.00 0.00 C ATOM 214 C TRP A 14 5.780 3.642 0.620 1.00 0.00 C ATOM 215 O TRP A 14 5.574 4.814 0.307 1.00 0.00 O ATOM 216 CB TRP A 14 7.730 3.166 2.261 1.00 0.00 C ATOM 217 CG TRP A 14 8.394 3.397 0.959 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.625 4.596 0.385 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.841 2.401 0.036 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.159 4.382 -0.867 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.312 3.037 -1.121 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.869 1.014 0.096 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.785 2.308 -2.191 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.348 0.275 -0.977 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.798 0.919 -2.122 1.00 0.00 C ATOM 0 H TRP A 14 6.156 1.265 2.597 1.00 0.00 H new ATOM 0 HA TRP A 14 5.879 4.129 2.701 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.082 3.889 2.997 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.981 2.176 2.641 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.425 5.559 0.831 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.409 5.124 -1.521 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.516 0.507 0.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.143 2.812 -3.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.371 -0.803 -0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.158 0.341 -2.960 1.00 0.00 H new ATOM 236 N GLU A 15 5.659 2.620 -0.264 1.00 0.00 N ATOM 237 CA GLU A 15 5.275 2.856 -1.664 1.00 0.00 C ATOM 238 C GLU A 15 3.933 3.573 -1.761 1.00 0.00 C ATOM 239 O GLU A 15 3.782 4.563 -2.478 1.00 0.00 O ATOM 240 CB GLU A 15 5.091 1.497 -2.337 1.00 0.00 C ATOM 241 CG GLU A 15 6.425 0.842 -2.639 1.00 0.00 C ATOM 242 CD GLU A 15 6.961 1.334 -3.983 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.509 2.423 -4.021 1.00 0.00 O ATOM 244 OE2 GLU A 15 6.805 0.620 -4.958 1.00 0.00 O ATOM 0 H GLU A 15 5.821 1.641 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 15 6.049 3.463 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.503 0.846 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.528 1.621 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.139 1.072 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.310 -0.242 -2.659 1.00 0.00 H new ATOM 251 N ILE A 16 2.982 3.055 -1.019 1.00 0.00 N ATOM 252 CA ILE A 16 1.633 3.597 -0.962 1.00 0.00 C ATOM 253 C ILE A 16 1.678 4.964 -0.316 1.00 0.00 C ATOM 254 O ILE A 16 1.077 5.920 -0.796 1.00 0.00 O ATOM 255 CB ILE A 16 0.814 2.577 -0.168 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.853 1.287 -0.996 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.645 3.029 0.078 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.167 0.168 -0.240 1.00 0.00 C ATOM 0 H ILE A 16 3.119 2.235 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 16 1.177 3.743 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 16 1.237 2.447 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.360 1.445 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.886 1.013 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.173 2.263 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.647 3.963 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.145 3.181 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.198 -0.745 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.679 0.002 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.871 0.441 -0.049 1.00 0.00 H new ATOM 270 N PHE A 17 2.444 5.045 0.749 1.00 0.00 N ATOM 271 CA PHE A 17 2.633 6.303 1.465 1.00 0.00 C ATOM 272 C PHE A 17 3.324 7.353 0.588 1.00 0.00 C ATOM 273 O PHE A 17 3.264 8.548 0.886 1.00 0.00 O ATOM 274 CB PHE A 17 3.494 6.060 2.706 1.00 0.00 C ATOM 275 CG PHE A 17 2.660 6.016 3.970 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.574 6.892 4.160 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.991 5.092 4.967 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.833 6.830 5.347 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.247 5.030 6.146 1.00 0.00 C ATOM 280 CZ PHE A 17 1.168 5.899 6.338 1.00 0.00 C ATOM 0 H PHE A 17 2.952 4.254 1.146 1.00 0.00 H new ATOM 0 HA PHE A 17 1.648 6.677 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.035 5.120 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.241 6.850 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.314 7.608 3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.827 4.423 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.001 7.502 5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.504 4.311 6.910 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.593 5.852 7.251 1.00 0.00 H new ATOM 290 N ASN A 18 3.988 6.902 -0.478 1.00 0.00 N ATOM 291 CA ASN A 18 4.700 7.810 -1.376 1.00 0.00 C ATOM 292 C ASN A 18 3.785 8.293 -2.492 1.00 0.00 C ATOM 293 O ASN A 18 4.249 8.666 -3.574 1.00 0.00 O ATOM 294 CB ASN A 18 5.937 7.109 -1.962 1.00 0.00 C ATOM 295 CG ASN A 18 7.090 7.145 -0.963 1.00 0.00 C ATOM 296 OD1 ASN A 18 6.876 7.301 0.241 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.312 7.017 -1.396 1.00 0.00 N ATOM 0 H ASN A 18 4.047 5.918 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 18 5.025 8.679 -0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.694 6.076 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.235 7.598 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.092 7.046 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.489 6.888 -2.392 1.00 0.00 H new ATOM 304 N LEU A 19 2.483 8.303 -2.218 1.00 0.00 N ATOM 305 CA LEU A 19 1.522 8.758 -3.196 1.00 0.00 C ATOM 306 C LEU A 19 1.237 10.226 -2.977 1.00 0.00 C ATOM 307 O LEU A 19 1.109 10.668 -1.833 1.00 0.00 O ATOM 308 CB LEU A 19 0.236 7.942 -3.115 1.00 0.00 C ATOM 309 CG LEU A 19 0.440 6.566 -3.769 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.903 5.893 -4.022 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.164 6.707 -5.101 1.00 0.00 C ATOM 0 H LEU A 19 2.080 8.002 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 19 1.940 8.620 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.060 7.818 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.573 8.474 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 19 1.037 5.961 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.741 4.920 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.428 5.761 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.503 6.516 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.299 5.722 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.574 7.332 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.138 7.168 -4.939 1.00 0.00 H new ATOM 323 N PRO A 20 1.185 11.003 -4.032 1.00 0.00 N ATOM 324 CA PRO A 20 0.974 12.455 -3.906 1.00 0.00 C ATOM 325 C PRO A 20 -0.448 12.884 -3.531 1.00 0.00 C ATOM 326 O PRO A 20 -0.678 14.085 -3.370 1.00 0.00 O ATOM 327 CB PRO A 20 1.358 13.035 -5.279 1.00 0.00 C ATOM 328 CG PRO A 20 1.767 11.884 -6.144 1.00 0.00 C ATOM 329 CD PRO A 20 1.321 10.604 -5.445 1.00 0.00 C ATOM 0 HA PRO A 20 1.579 12.827 -3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.517 13.569 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.174 13.751 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.308 11.963 -7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.847 11.882 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.378 10.235 -5.849 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.053 9.806 -5.566 1.00 0.00 H new ATOM 337 N ASN A 21 -1.416 11.951 -3.422 1.00 0.00 N ATOM 338 CA ASN A 21 -2.779 12.371 -3.110 1.00 0.00 C ATOM 339 C ASN A 21 -3.415 11.551 -1.991 1.00 0.00 C ATOM 340 O ASN A 21 -4.572 11.780 -1.660 1.00 0.00 O ATOM 341 CB ASN A 21 -3.630 12.254 -4.378 1.00 0.00 C ATOM 342 CG ASN A 21 -3.022 13.066 -5.520 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.612 14.211 -5.329 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.950 12.540 -6.709 1.00 0.00 N ATOM 0 H ASN A 21 -1.281 10.947 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.735 13.401 -2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.709 11.207 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.642 12.605 -4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.554 13.077 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.289 11.591 -6.868 1.00 0.00 H new ATOM 351 N LEU A 22 -2.685 10.603 -1.403 1.00 0.00 N ATOM 352 CA LEU A 22 -3.255 9.791 -0.341 1.00 0.00 C ATOM 353 C LEU A 22 -3.401 10.534 0.969 1.00 0.00 C ATOM 354 O LEU A 22 -2.697 11.505 1.254 1.00 0.00 O ATOM 355 CB LEU A 22 -2.381 8.579 -0.051 1.00 0.00 C ATOM 356 CG LEU A 22 -2.483 7.525 -1.153 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.733 6.263 -0.704 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.948 7.169 -1.401 1.00 0.00 C ATOM 0 H LEU A 22 -1.717 10.385 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.240 9.504 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.343 8.896 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.676 8.138 0.901 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.048 7.919 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.799 5.504 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.686 6.507 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.180 5.881 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.012 6.417 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.386 6.773 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.493 8.062 -1.708 1.00 0.00 H new ATOM 370 N ASN A 23 -4.294 9.985 1.781 1.00 0.00 N ATOM 371 CA ASN A 23 -4.553 10.467 3.116 1.00 0.00 C ATOM 372 C ASN A 23 -4.180 9.340 4.073 1.00 0.00 C ATOM 373 O ASN A 23 -4.278 8.165 3.705 1.00 0.00 O ATOM 374 CB ASN A 23 -6.035 10.828 3.268 1.00 0.00 C ATOM 375 CG ASN A 23 -6.271 11.522 4.604 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.937 12.694 4.767 1.00 0.00 O ATOM 377 ND2 ASN A 23 -6.821 10.857 5.578 1.00 0.00 N ATOM 0 H ASN A 23 -4.864 9.180 1.520 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.972 11.364 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.344 11.480 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.645 9.927 3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.976 11.308 6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.097 9.885 5.440 1.00 0.00 H new ATOM 384 N GLY A 24 -3.740 9.687 5.279 1.00 0.00 N ATOM 385 CA GLY A 24 -3.345 8.682 6.266 1.00 0.00 C ATOM 386 C GLY A 24 -4.386 7.567 6.371 1.00 0.00 C ATOM 387 O GLY A 24 -4.049 6.429 6.682 1.00 0.00 O ATOM 0 H GLY A 24 -3.647 10.652 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.380 8.257 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.217 9.156 7.239 1.00 0.00 H new ATOM 391 N VAL A 25 -5.646 7.906 6.086 1.00 0.00 N ATOM 392 CA VAL A 25 -6.735 6.935 6.134 1.00 0.00 C ATOM 393 C VAL A 25 -6.616 5.929 4.987 1.00 0.00 C ATOM 394 O VAL A 25 -6.693 4.720 5.207 1.00 0.00 O ATOM 395 CB VAL A 25 -8.082 7.663 6.050 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.219 6.635 5.998 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.255 8.545 7.293 1.00 0.00 C ATOM 0 H VAL A 25 -5.934 8.847 5.820 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.673 6.392 7.077 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.108 8.279 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.176 7.154 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.095 6.000 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.195 6.020 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.211 9.066 7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.230 7.922 8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.446 9.275 7.337 1.00 0.00 H new ATOM 407 N GLN A 26 -6.435 6.441 3.763 1.00 0.00 N ATOM 408 CA GLN A 26 -6.318 5.588 2.590 1.00 0.00 C ATOM 409 C GLN A 26 -5.079 4.731 2.647 1.00 0.00 C ATOM 410 O GLN A 26 -5.140 3.525 2.414 1.00 0.00 O ATOM 411 CB GLN A 26 -6.263 6.452 1.350 1.00 0.00 C ATOM 412 CG GLN A 26 -7.626 7.089 1.162 1.00 0.00 C ATOM 413 CD GLN A 26 -7.649 7.941 -0.092 1.00 0.00 C ATOM 414 OE1 GLN A 26 -6.693 7.970 -0.863 1.00 0.00 O ATOM 415 NE2 GLN A 26 -8.697 8.644 -0.340 1.00 0.00 N ATOM 0 H GLN A 26 -6.367 7.440 3.567 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.187 4.930 2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.495 7.219 1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.999 5.852 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.389 6.314 1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.869 7.703 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.491 8.620 0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.735 9.226 -1.177 1.00 0.00 H new ATOM 424 N VAL A 27 -3.953 5.361 2.961 1.00 0.00 N ATOM 425 CA VAL A 27 -2.705 4.635 3.040 1.00 0.00 C ATOM 426 C VAL A 27 -2.833 3.530 4.066 1.00 0.00 C ATOM 427 O VAL A 27 -2.566 2.377 3.771 1.00 0.00 O ATOM 428 CB VAL A 27 -1.567 5.572 3.447 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.258 4.777 3.433 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.483 6.744 2.462 1.00 0.00 C ATOM 0 H VAL A 27 -3.884 6.359 3.161 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.481 4.212 2.061 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.747 5.972 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.567 5.429 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.328 3.948 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.080 4.387 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.671 7.409 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.295 6.363 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.424 7.295 2.470 1.00 0.00 H new ATOM 440 N LYS A 28 -3.298 3.910 5.249 1.00 0.00 N ATOM 441 CA LYS A 28 -3.512 2.980 6.354 1.00 0.00 C ATOM 442 C LYS A 28 -4.403 1.848 5.894 1.00 0.00 C ATOM 443 O LYS A 28 -4.207 0.710 6.290 1.00 0.00 O ATOM 444 CB LYS A 28 -4.152 3.717 7.543 1.00 0.00 C ATOM 445 CG LYS A 28 -4.421 2.757 8.714 1.00 0.00 C ATOM 446 CD LYS A 28 -3.095 2.274 9.323 1.00 0.00 C ATOM 447 CE LYS A 28 -3.331 1.730 10.741 1.00 0.00 C ATOM 448 NZ LYS A 28 -4.575 0.908 10.775 1.00 0.00 N ATOM 0 H LYS A 28 -3.539 4.876 5.472 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.554 2.570 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.494 4.521 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.087 4.180 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.017 3.260 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.002 1.903 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.659 1.497 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.380 3.096 9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.479 1.127 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.413 2.557 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.620 0.383 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.405 1.530 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.570 0.237 9.980 1.00 0.00 H new ATOM 462 N ALA A 29 -5.357 2.167 5.029 1.00 0.00 N ATOM 463 CA ALA A 29 -6.249 1.161 4.492 1.00 0.00 C ATOM 464 C ALA A 29 -5.443 0.160 3.681 1.00 0.00 C ATOM 465 O ALA A 29 -5.646 -1.050 3.790 1.00 0.00 O ATOM 466 CB ALA A 29 -7.294 1.820 3.600 1.00 0.00 C ATOM 0 H ALA A 29 -5.529 3.113 4.688 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.753 0.648 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.962 1.058 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.871 2.537 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.798 2.336 2.778 1.00 0.00 H new ATOM 472 N PHE A 30 -4.505 0.677 2.881 1.00 0.00 N ATOM 473 CA PHE A 30 -3.662 -0.160 2.087 1.00 0.00 C ATOM 474 C PHE A 30 -2.646 -0.833 2.989 1.00 0.00 C ATOM 475 O PHE A 30 -2.350 -2.014 2.820 1.00 0.00 O ATOM 476 CB PHE A 30 -3.022 0.669 0.985 1.00 0.00 C ATOM 477 CG PHE A 30 -4.129 1.288 0.156 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.133 0.469 -0.385 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.182 2.673 -0.043 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.171 1.032 -1.115 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.220 3.229 -0.781 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.215 2.407 -1.315 1.00 0.00 C ATOM 0 H PHE A 30 -4.326 1.676 2.780 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.236 -0.948 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.388 1.445 1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.384 0.044 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.098 -0.600 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.417 3.309 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.945 0.401 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.257 4.296 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.022 2.842 -1.886 1.00 0.00 H new ATOM 492 N ILE A 31 -2.165 -0.087 3.996 1.00 0.00 N ATOM 493 CA ILE A 31 -1.235 -0.647 4.962 1.00 0.00 C ATOM 494 C ILE A 31 -1.965 -1.777 5.699 1.00 0.00 C ATOM 495 O ILE A 31 -1.369 -2.796 6.051 1.00 0.00 O ATOM 496 CB ILE A 31 -0.741 0.401 6.002 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.253 1.739 5.367 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.425 -0.200 6.791 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.324 1.550 3.968 1.00 0.00 C ATOM 0 H ILE A 31 -2.407 0.891 4.153 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.354 -1.002 4.428 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.597 0.636 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.087 2.440 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.504 2.187 6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.781 0.525 7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.090 -1.101 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.235 -0.452 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.648 2.514 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.176 0.872 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.439 1.129 3.314 1.00 0.00 H new ATOM 511 N ASP A 32 -3.279 -1.581 5.907 1.00 0.00 N ATOM 512 CA ASP A 32 -4.106 -2.584 6.574 1.00 0.00 C ATOM 513 C ASP A 32 -4.282 -3.798 5.675 1.00 0.00 C ATOM 514 O ASP A 32 -4.196 -4.941 6.130 1.00 0.00 O ATOM 515 CB ASP A 32 -5.478 -1.988 6.945 1.00 0.00 C ATOM 516 CG ASP A 32 -5.355 -0.981 8.101 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.288 -0.883 8.693 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.337 -0.314 8.376 1.00 0.00 O ATOM 0 H ASP A 32 -3.782 -0.741 5.622 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.606 -2.896 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.910 -1.495 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.160 -2.789 7.229 1.00 0.00 H new ATOM 523 N SER A 33 -4.510 -3.532 4.388 1.00 0.00 N ATOM 524 CA SER A 33 -4.683 -4.595 3.406 1.00 0.00 C ATOM 525 C SER A 33 -3.407 -5.432 3.311 1.00 0.00 C ATOM 526 O SER A 33 -3.461 -6.631 3.043 1.00 0.00 O ATOM 527 CB SER A 33 -5.031 -3.997 2.045 1.00 0.00 C ATOM 528 OG SER A 33 -5.586 -5.014 1.222 1.00 0.00 O ATOM 0 H SER A 33 -4.579 -2.589 4.005 1.00 0.00 H new ATOM 0 HA SER A 33 -5.501 -5.242 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.741 -3.179 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.139 -3.579 1.578 1.00 0.00 H new ATOM 0 HG SER A 33 -6.223 -4.615 0.593 1.00 0.00 H new ATOM 534 N LEU A 34 -2.263 -4.780 3.545 1.00 0.00 N ATOM 535 CA LEU A 34 -0.964 -5.459 3.504 1.00 0.00 C ATOM 536 C LEU A 34 -0.956 -6.615 4.501 1.00 0.00 C ATOM 537 O LEU A 34 -0.545 -7.730 4.184 1.00 0.00 O ATOM 538 CB LEU A 34 0.153 -4.466 3.912 1.00 0.00 C ATOM 539 CG LEU A 34 1.162 -4.220 2.785 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.540 -5.536 2.094 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.537 -3.233 1.803 1.00 0.00 C ATOM 0 H LEU A 34 -2.210 -3.785 3.764 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.793 -5.830 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.298 -3.518 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.677 -4.853 4.786 1.00 0.00 H new ATOM 0 HG LEU A 34 2.085 -3.802 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.257 -5.336 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.986 -6.214 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.646 -5.994 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.235 -3.039 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.384 -3.655 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.313 -2.299 2.319 1.00 0.00 H new ATOM 553 N ARG A 35 -1.426 -6.318 5.708 1.00 0.00 N ATOM 554 CA ARG A 35 -1.500 -7.308 6.783 1.00 0.00 C ATOM 555 C ARG A 35 -2.508 -8.391 6.426 1.00 0.00 C ATOM 556 O ARG A 35 -2.281 -9.581 6.661 1.00 0.00 O ATOM 557 CB ARG A 35 -1.956 -6.625 8.074 1.00 0.00 C ATOM 558 CG ARG A 35 -0.923 -5.578 8.525 1.00 0.00 C ATOM 559 CD ARG A 35 -1.639 -4.381 9.172 1.00 0.00 C ATOM 560 NE ARG A 35 -2.838 -4.819 9.891 1.00 0.00 N ATOM 561 CZ ARG A 35 -3.997 -4.178 9.759 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.238 -3.115 10.472 1.00 0.00 N ATOM 563 NH2 ARG A 35 -4.890 -4.614 8.917 1.00 0.00 N ATOM 0 H ARG A 35 -1.765 -5.392 5.970 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.515 -7.754 6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.923 -6.146 7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.093 -7.370 8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.227 -6.024 9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.335 -5.243 7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.962 -3.875 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.914 -3.657 8.404 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.783 -5.632 10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.539 -2.774 11.131 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.126 -2.624 10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.701 -5.447 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.778 -4.123 8.816 1.00 0.00 H new ATOM 577 N ASP A 36 -3.624 -7.947 5.857 1.00 0.00 N ATOM 578 CA ASP A 36 -4.706 -8.833 5.452 1.00 0.00 C ATOM 579 C ASP A 36 -4.232 -9.784 4.361 1.00 0.00 C ATOM 580 O ASP A 36 -4.654 -10.940 4.292 1.00 0.00 O ATOM 581 CB ASP A 36 -5.879 -7.984 4.944 1.00 0.00 C ATOM 582 CG ASP A 36 -6.376 -7.018 6.034 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.207 -7.315 7.208 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.916 -5.986 5.673 1.00 0.00 O ATOM 0 H ASP A 36 -3.802 -6.961 5.664 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.028 -9.429 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.569 -7.418 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.695 -8.635 4.631 1.00 0.00 H new ATOM 589 N ASP A 37 -3.334 -9.275 3.531 1.00 0.00 N ATOM 590 CA ASP A 37 -2.754 -10.045 2.443 1.00 0.00 C ATOM 591 C ASP A 37 -1.473 -9.372 1.967 1.00 0.00 C ATOM 592 O ASP A 37 -1.508 -8.388 1.222 1.00 0.00 O ATOM 593 CB ASP A 37 -3.744 -10.196 1.277 1.00 0.00 C ATOM 594 CG ASP A 37 -3.374 -11.410 0.414 1.00 0.00 C ATOM 595 OD1 ASP A 37 -2.190 -11.634 0.197 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.283 -12.093 -0.027 1.00 0.00 O ATOM 0 H ASP A 37 -2.988 -8.318 3.593 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.523 -11.044 2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.756 -10.312 1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.738 -9.293 0.667 1.00 0.00 H new ATOM 601 N PRO A 38 -0.346 -9.879 2.402 1.00 0.00 N ATOM 602 CA PRO A 38 0.980 -9.319 2.039 1.00 0.00 C ATOM 603 C PRO A 38 1.368 -9.586 0.587 1.00 0.00 C ATOM 604 O PRO A 38 2.198 -8.869 0.023 1.00 0.00 O ATOM 605 CB PRO A 38 1.953 -9.986 3.017 1.00 0.00 C ATOM 606 CG PRO A 38 1.154 -10.872 3.916 1.00 0.00 C ATOM 607 CD PRO A 38 -0.212 -11.048 3.284 1.00 0.00 C ATOM 0 HA PRO A 38 0.985 -8.232 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.702 -10.565 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.488 -9.234 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.646 -11.837 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.063 -10.430 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.276 -11.981 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.000 -11.073 4.036 1.00 0.00 H new ATOM 615 N SER A 39 0.757 -10.603 -0.014 1.00 0.00 N ATOM 616 CA SER A 39 1.037 -10.941 -1.408 1.00 0.00 C ATOM 617 C SER A 39 0.450 -9.880 -2.334 1.00 0.00 C ATOM 618 O SER A 39 0.825 -9.781 -3.503 1.00 0.00 O ATOM 619 CB SER A 39 0.437 -12.309 -1.746 1.00 0.00 C ATOM 620 OG SER A 39 0.914 -12.731 -3.017 1.00 0.00 O ATOM 0 H SER A 39 0.069 -11.205 0.438 1.00 0.00 H new ATOM 0 HA SER A 39 2.117 -10.978 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.710 -13.037 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.651 -12.249 -1.755 1.00 0.00 H new ATOM 0 HG SER A 39 1.105 -11.946 -3.572 1.00 0.00 H new ATOM 626 N GLN A 40 -0.495 -9.108 -1.796 1.00 0.00 N ATOM 627 CA GLN A 40 -1.172 -8.068 -2.560 1.00 0.00 C ATOM 628 C GLN A 40 -0.471 -6.731 -2.490 1.00 0.00 C ATOM 629 O GLN A 40 -0.937 -5.799 -3.112 1.00 0.00 O ATOM 630 CB GLN A 40 -2.602 -7.880 -2.033 1.00 0.00 C ATOM 631 CG GLN A 40 -3.358 -9.208 -2.049 1.00 0.00 C ATOM 632 CD GLN A 40 -3.488 -9.738 -3.474 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.981 -9.036 -4.359 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.069 -10.942 -3.752 1.00 0.00 N ATOM 0 H GLN A 40 -0.808 -9.187 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.169 -8.401 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.573 -7.484 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.128 -7.148 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.835 -9.937 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.348 -9.074 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.661 -11.522 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.149 -11.303 -4.703 1.00 0.00 H new ATOM 643 N SER A 41 0.619 -6.625 -1.737 1.00 0.00 N ATOM 644 CA SER A 41 1.301 -5.343 -1.566 1.00 0.00 C ATOM 645 C SER A 41 1.341 -4.519 -2.856 1.00 0.00 C ATOM 646 O SER A 41 1.102 -3.318 -2.815 1.00 0.00 O ATOM 647 CB SER A 41 2.729 -5.608 -1.047 1.00 0.00 C ATOM 648 OG SER A 41 3.683 -5.424 -2.090 1.00 0.00 O ATOM 0 H SER A 41 1.048 -7.404 -1.238 1.00 0.00 H new ATOM 0 HA SER A 41 0.738 -4.751 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.952 -4.934 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.798 -6.624 -0.658 1.00 0.00 H new ATOM 0 HG SER A 41 4.584 -5.594 -1.743 1.00 0.00 H new ATOM 654 N ALA A 42 1.588 -5.165 -3.989 1.00 0.00 N ATOM 655 CA ALA A 42 1.612 -4.468 -5.269 1.00 0.00 C ATOM 656 C ALA A 42 0.206 -4.025 -5.688 1.00 0.00 C ATOM 657 O ALA A 42 0.024 -2.974 -6.302 1.00 0.00 O ATOM 658 CB ALA A 42 2.190 -5.392 -6.329 1.00 0.00 C ATOM 0 H ALA A 42 1.774 -6.166 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 42 2.231 -3.577 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.211 -4.876 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.204 -5.678 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.570 -6.285 -6.410 1.00 0.00 H new ATOM 664 N ASN A 43 -0.778 -4.844 -5.341 1.00 0.00 N ATOM 665 CA ASN A 43 -2.170 -4.569 -5.641 1.00 0.00 C ATOM 666 C ASN A 43 -2.667 -3.430 -4.765 1.00 0.00 C ATOM 667 O ASN A 43 -3.407 -2.563 -5.198 1.00 0.00 O ATOM 668 CB ASN A 43 -3.001 -5.823 -5.396 1.00 0.00 C ATOM 669 CG ASN A 43 -4.358 -5.735 -6.091 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.773 -4.668 -6.549 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.077 -6.812 -6.197 1.00 0.00 N ATOM 0 H ASN A 43 -0.629 -5.721 -4.841 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.267 -4.277 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.460 -6.697 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.147 -5.961 -4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.985 -6.775 -6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.733 -7.694 -5.818 1.00 0.00 H new ATOM 678 N LEU A 44 -2.213 -3.455 -3.522 1.00 0.00 N ATOM 679 CA LEU A 44 -2.543 -2.444 -2.534 1.00 0.00 C ATOM 680 C LEU A 44 -1.973 -1.155 -3.034 1.00 0.00 C ATOM 681 O LEU A 44 -2.602 -0.108 -2.961 1.00 0.00 O ATOM 682 CB LEU A 44 -1.962 -2.881 -1.181 1.00 0.00 C ATOM 683 CG LEU A 44 -2.408 -4.331 -0.951 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.982 -4.872 0.390 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.907 -4.429 -1.089 1.00 0.00 C ATOM 0 H LEU A 44 -1.598 -4.187 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.615 -2.315 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.874 -2.808 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.321 -2.235 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.916 -4.941 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.327 -5.901 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.895 -4.844 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.416 -4.263 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.221 -5.460 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.383 -3.783 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.202 -4.115 -2.090 1.00 0.00 H new ATOM 697 N LEU A 45 -0.804 -1.295 -3.639 1.00 0.00 N ATOM 698 CA LEU A 45 -0.134 -0.194 -4.289 1.00 0.00 C ATOM 699 C LEU A 45 -1.025 0.297 -5.405 1.00 0.00 C ATOM 700 O LEU A 45 -1.213 1.486 -5.606 1.00 0.00 O ATOM 701 CB LEU A 45 1.147 -0.699 -4.959 1.00 0.00 C ATOM 702 CG LEU A 45 2.397 -0.152 -4.328 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.287 1.368 -4.124 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.558 -0.928 -3.035 1.00 0.00 C ATOM 0 H LEU A 45 -0.297 -2.179 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 45 0.086 0.581 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.170 -1.788 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.130 -0.426 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 45 3.280 -0.277 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.203 1.741 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.139 1.855 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.441 1.587 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.452 -0.585 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.685 -0.766 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.653 -1.991 -3.258 1.00 0.00 H new ATOM 716 N ALA A 46 -1.550 -0.687 -6.132 1.00 0.00 N ATOM 717 CA ALA A 46 -2.416 -0.445 -7.272 1.00 0.00 C ATOM 718 C ALA A 46 -3.653 0.294 -6.828 1.00 0.00 C ATOM 719 O ALA A 46 -4.044 1.301 -7.410 1.00 0.00 O ATOM 720 CB ALA A 46 -2.836 -1.788 -7.870 1.00 0.00 C ATOM 0 H ALA A 46 -1.383 -1.675 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.881 0.151 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.487 -1.617 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.950 -2.336 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.371 -2.370 -7.119 1.00 0.00 H new ATOM 726 N GLU A 47 -4.223 -0.214 -5.757 1.00 0.00 N ATOM 727 CA GLU A 47 -5.383 0.360 -5.154 1.00 0.00 C ATOM 728 C GLU A 47 -5.037 1.731 -4.623 1.00 0.00 C ATOM 729 O GLU A 47 -5.857 2.645 -4.611 1.00 0.00 O ATOM 730 CB GLU A 47 -5.791 -0.538 -4.011 1.00 0.00 C ATOM 731 CG GLU A 47 -6.428 -1.842 -4.520 1.00 0.00 C ATOM 732 CD GLU A 47 -7.578 -1.554 -5.490 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.479 -0.819 -5.116 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.536 -2.068 -6.595 1.00 0.00 O ATOM 0 H GLU A 47 -3.881 -1.049 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.194 0.454 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.918 -0.772 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.498 -0.013 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.672 -2.449 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.798 -2.423 -3.675 1.00 0.00 H new ATOM 741 N ALA A 48 -3.794 1.848 -4.194 1.00 0.00 N ATOM 742 CA ALA A 48 -3.285 3.090 -3.671 1.00 0.00 C ATOM 743 C ALA A 48 -3.201 4.107 -4.788 1.00 0.00 C ATOM 744 O ALA A 48 -3.632 5.245 -4.628 1.00 0.00 O ATOM 745 CB ALA A 48 -1.900 2.873 -3.084 1.00 0.00 C ATOM 0 H ALA A 48 -3.116 1.086 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.954 3.453 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.520 3.816 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.957 2.140 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.229 2.508 -3.861 1.00 0.00 H new ATOM 751 N LYS A 49 -2.678 3.664 -5.934 1.00 0.00 N ATOM 752 CA LYS A 49 -2.570 4.523 -7.102 1.00 0.00 C ATOM 753 C LYS A 49 -3.970 4.951 -7.478 1.00 0.00 C ATOM 754 O LYS A 49 -4.211 6.085 -7.877 1.00 0.00 O ATOM 755 CB LYS A 49 -1.980 3.760 -8.302 1.00 0.00 C ATOM 756 CG LYS A 49 -0.596 3.150 -8.008 1.00 0.00 C ATOM 757 CD LYS A 49 0.217 4.039 -7.070 1.00 0.00 C ATOM 758 CE LYS A 49 1.642 3.486 -6.934 1.00 0.00 C ATOM 759 NZ LYS A 49 2.431 3.835 -8.149 1.00 0.00 N ATOM 0 H LYS A 49 -2.325 2.717 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.922 5.367 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.667 2.965 -8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.899 4.438 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.719 2.164 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.052 3.011 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.248 5.058 -7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.261 4.083 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.120 3.900 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.612 2.404 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.438 3.644 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.103 3.262 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.303 4.844 -8.368 1.00 0.00 H new ATOM 773 N LYS A 50 -4.890 4.000 -7.320 1.00 0.00 N ATOM 774 CA LYS A 50 -6.295 4.231 -7.617 1.00 0.00 C ATOM 775 C LYS A 50 -6.885 5.244 -6.654 1.00 0.00 C ATOM 776 O LYS A 50 -7.638 6.131 -7.057 1.00 0.00 O ATOM 777 CB LYS A 50 -7.071 2.911 -7.544 1.00 0.00 C ATOM 778 CG LYS A 50 -6.736 2.056 -8.765 1.00 0.00 C ATOM 779 CD LYS A 50 -7.449 0.705 -8.662 1.00 0.00 C ATOM 780 CE LYS A 50 -6.761 -0.303 -9.586 1.00 0.00 C ATOM 781 NZ LYS A 50 -5.893 -1.205 -8.776 1.00 0.00 N ATOM 0 H LYS A 50 -4.681 3.059 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.376 4.632 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.814 2.376 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.142 3.108 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.042 2.571 -9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.658 1.905 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.426 0.347 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.498 0.812 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.507 -0.886 -10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.164 0.220 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.726 -2.088 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.984 -0.736 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.363 -1.421 -7.874 1.00 0.00 H new ATOM 795 N LEU A 51 -6.524 5.110 -5.382 1.00 0.00 N ATOM 796 CA LEU A 51 -7.019 6.033 -4.365 1.00 0.00 C ATOM 797 C LEU A 51 -6.382 7.402 -4.541 1.00 0.00 C ATOM 798 O LEU A 51 -7.057 8.427 -4.436 1.00 0.00 O ATOM 799 CB LEU A 51 -6.764 5.482 -2.951 1.00 0.00 C ATOM 800 CG LEU A 51 -8.101 5.031 -2.322 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.080 6.216 -2.231 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.727 3.913 -3.177 1.00 0.00 C ATOM 0 H LEU A 51 -5.900 4.383 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.097 6.138 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.070 4.642 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.298 6.247 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.904 4.657 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.017 5.881 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.645 7.001 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.273 6.606 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.670 3.598 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.910 4.285 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.045 3.064 -3.222 1.00 0.00 H new ATOM 814 N ASN A 52 -5.084 7.409 -4.831 1.00 0.00 N ATOM 815 CA ASN A 52 -4.371 8.651 -5.052 1.00 0.00 C ATOM 816 C ASN A 52 -4.904 9.320 -6.315 1.00 0.00 C ATOM 817 O ASN A 52 -5.132 10.525 -6.339 1.00 0.00 O ATOM 818 CB ASN A 52 -2.870 8.353 -5.148 1.00 0.00 C ATOM 819 CG ASN A 52 -2.289 8.705 -6.514 1.00 0.00 C ATOM 820 OD1 ASN A 52 -2.142 7.838 -7.373 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.952 9.930 -6.761 1.00 0.00 N ATOM 0 H ASN A 52 -4.511 6.569 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.526 9.340 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.342 8.914 -4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.699 7.296 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.563 10.178 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.075 10.647 -6.046 1.00 0.00 H new ATOM 828 N ASP A 53 -5.126 8.507 -7.348 1.00 0.00 N ATOM 829 CA ASP A 53 -5.667 9.002 -8.604 1.00 0.00 C ATOM 830 C ASP A 53 -7.028 9.624 -8.343 1.00 0.00 C ATOM 831 O ASP A 53 -7.381 10.660 -8.909 1.00 0.00 O ATOM 832 CB ASP A 53 -5.795 7.858 -9.618 1.00 0.00 C ATOM 833 CG ASP A 53 -6.310 8.394 -10.954 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.499 8.870 -11.733 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.508 8.325 -11.176 1.00 0.00 O ATOM 0 H ASP A 53 -4.938 7.505 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.994 9.752 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.827 7.377 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.476 7.098 -9.236 1.00 0.00 H new ATOM 840 N ALA A 54 -7.764 8.978 -7.449 1.00 0.00 N ATOM 841 CA ALA A 54 -9.077 9.443 -7.051 1.00 0.00 C ATOM 842 C ALA A 54 -8.952 10.751 -6.274 1.00 0.00 C ATOM 843 O ALA A 54 -9.800 11.637 -6.399 1.00 0.00 O ATOM 844 CB ALA A 54 -9.767 8.383 -6.187 1.00 0.00 C ATOM 0 H ALA A 54 -7.466 8.121 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.678 9.618 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.754 8.740 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.871 7.460 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.168 8.194 -5.296 1.00 0.00 H new ATOM 850 N GLN A 55 -7.877 10.868 -5.481 1.00 0.00 N ATOM 851 CA GLN A 55 -7.638 12.081 -4.699 1.00 0.00 C ATOM 852 C GLN A 55 -6.832 13.098 -5.508 1.00 0.00 C ATOM 853 O GLN A 55 -6.520 14.188 -5.023 1.00 0.00 O ATOM 854 CB GLN A 55 -6.916 11.733 -3.390 1.00 0.00 C ATOM 855 CG GLN A 55 -7.965 11.573 -2.282 1.00 0.00 C ATOM 856 CD GLN A 55 -7.301 11.575 -0.910 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.437 12.533 -0.151 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.587 10.555 -0.550 1.00 0.00 N ATOM 0 H GLN A 55 -7.168 10.143 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.600 12.532 -4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.344 10.812 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.206 12.518 -3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.691 12.384 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.514 10.642 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.476 9.762 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.136 10.545 0.365 1.00 0.00 H new ATOM 867 N ALA A 56 -6.509 12.727 -6.745 1.00 0.00 N ATOM 868 CA ALA A 56 -5.745 13.597 -7.638 1.00 0.00 C ATOM 869 C ALA A 56 -6.617 14.719 -8.183 1.00 0.00 C ATOM 870 O ALA A 56 -7.847 14.663 -8.098 1.00 0.00 O ATOM 871 CB ALA A 56 -5.155 12.783 -8.795 1.00 0.00 C ATOM 0 H ALA A 56 -6.765 11.828 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.932 14.042 -7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.589 13.443 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.495 12.012 -8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.962 12.314 -9.359 1.00 0.00 H new ATOM 877 N PRO A 57 -5.997 15.741 -8.724 1.00 0.00 N ATOM 878 CA PRO A 57 -6.715 16.916 -9.278 1.00 0.00 C ATOM 879 C PRO A 57 -7.361 16.614 -10.627 1.00 0.00 C ATOM 880 O PRO A 57 -7.010 15.637 -11.293 1.00 0.00 O ATOM 881 CB PRO A 57 -5.632 17.995 -9.412 1.00 0.00 C ATOM 882 CG PRO A 57 -4.347 17.394 -8.942 1.00 0.00 C ATOM 883 CD PRO A 57 -4.543 15.891 -8.878 1.00 0.00 C ATOM 0 HA PRO A 57 -7.539 17.224 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.546 18.327 -10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.887 18.872 -8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.534 17.646 -9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.075 17.787 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.182 15.400 -9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.003 15.451 -8.040 1.00 0.00 H new ATOM 891 N LYS A 58 -8.306 17.466 -11.014 1.00 0.00 N ATOM 892 CA LYS A 58 -9.015 17.310 -12.285 1.00 0.00 C ATOM 893 C LYS A 58 -8.322 18.110 -13.389 1.00 0.00 C ATOM 894 O LYS A 58 -7.911 19.229 -13.119 1.00 0.00 O ATOM 895 CB LYS A 58 -10.466 17.785 -12.134 1.00 0.00 C ATOM 896 CG LYS A 58 -11.200 16.895 -11.122 1.00 0.00 C ATOM 897 CD LYS A 58 -12.681 17.294 -11.059 1.00 0.00 C ATOM 898 CE LYS A 58 -13.390 16.493 -9.960 1.00 0.00 C ATOM 899 NZ LYS A 58 -13.526 15.071 -10.385 1.00 0.00 N ATOM 900 OXT LYS A 58 -8.213 17.594 -14.489 1.00 0.00 O ATOM 0 H LYS A 58 -8.601 18.274 -10.466 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.006 16.255 -12.560 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.486 18.823 -11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.973 17.749 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.108 15.848 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.744 16.996 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.771 18.362 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.158 17.109 -12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.824 16.552 -9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.373 16.919 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.137 14.565 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.948 15.031 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.588 14.623 -10.405 1.00 0.00 H new TER 914 LYS A 58