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= -3.84! K(o=-7.2!,f=-2.3) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.32! C(o=-7.2!,f=-10!) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.221 K(o=0.55,f=-1.1) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.333 K(o=0.55,f=-1.1) USER MOD Set 3.1: A 26 GLN : amide:sc= -9.02! C(o=-14!,f=-17!) USER MOD Set 3.2: A 55 GLN : amide:sc= -5.38 K(o=-14,f=-11) USER MOD Set 4.1: A 3 ASN : amide:sc= 1.11 K(o=2.3,f=-6.4!) USER MOD Set 4.2: A 7 LYS NZ :NH3+ -108:sc= 1.2 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ 180:sc= -0.888 (180deg=-0.888) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= 1.18 (180deg=1.16) USER MOD Single : A 6 ASN : amide:sc= -2.48 K(o=-2.5,f=-0.4) USER MOD Single : A 13 THR OG1 : rot 58:sc= 0.578 USER MOD Single : A 18 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.37) USER MOD Single : A 23 ASN : amide:sc= -3.65 K(o=-3.7,f=-7.5!) USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= 0.0426 (180deg=-2.17) USER MOD Single : A 33 SER OG : rot 74:sc= 0.783 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -91:sc= 0.903 USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= -1.53 (180deg=-2.99!) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= -1.39 (180deg=-1.55) USER MOD Single : A 58 LYS NZ :NH3+ 122:sc= 1.32 (180deg=0.0215) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 14.721 -18.456 5.567 1.00 0.00 N ATOM 2 CA VAL A 1 14.129 -18.417 6.938 1.00 0.00 C ATOM 3 C VAL A 1 14.418 -17.059 7.575 1.00 0.00 C ATOM 4 O VAL A 1 13.558 -16.484 8.246 1.00 0.00 O ATOM 5 CB VAL A 1 14.716 -19.555 7.799 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.217 -20.909 7.278 1.00 0.00 C ATOM 7 CG2 VAL A 1 16.254 -19.526 7.753 1.00 0.00 C ATOM 0 H1 VAL A 1 14.526 -19.380 5.131 1.00 0.00 H new ATOM 0 H2 VAL A 1 14.301 -17.703 4.986 1.00 0.00 H new ATOM 0 H3 VAL A 1 15.749 -18.313 5.629 1.00 0.00 H new ATOM 0 HA VAL A 1 13.050 -18.557 6.874 1.00 0.00 H new ATOM 0 HB VAL A 1 14.390 -19.415 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.634 -21.710 7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.129 -20.941 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.533 -21.040 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 1 16.652 -20.335 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 1 16.590 -19.652 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.612 -18.571 8.137 1.00 0.00 H new ATOM 19 N ASP A 2 15.632 -16.553 7.349 1.00 0.00 N ATOM 20 CA ASP A 2 16.042 -15.256 7.890 1.00 0.00 C ATOM 21 C ASP A 2 15.147 -14.143 7.347 1.00 0.00 C ATOM 22 O ASP A 2 14.857 -13.168 8.042 1.00 0.00 O ATOM 23 CB ASP A 2 17.506 -14.979 7.512 1.00 0.00 C ATOM 24 CG ASP A 2 17.644 -14.780 5.997 1.00 0.00 C ATOM 25 OD1 ASP A 2 17.296 -15.690 5.259 1.00 0.00 O ATOM 26 OD2 ASP A 2 18.089 -13.717 5.598 1.00 0.00 O ATOM 0 H ASP A 2 16.348 -17.022 6.795 1.00 0.00 H new ATOM 0 HA ASP A 2 15.945 -15.281 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.860 -14.091 8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 2 18.134 -15.810 7.834 1.00 0.00 H new ATOM 31 N ASN A 3 14.716 -14.311 6.096 1.00 0.00 N ATOM 32 CA ASN A 3 13.852 -13.336 5.439 1.00 0.00 C ATOM 33 C ASN A 3 12.390 -13.747 5.589 1.00 0.00 C ATOM 34 O ASN A 3 12.065 -14.936 5.551 1.00 0.00 O ATOM 35 CB ASN A 3 14.215 -13.244 3.952 1.00 0.00 C ATOM 36 CG ASN A 3 15.682 -12.848 3.796 1.00 0.00 C ATOM 37 OD1 ASN A 3 16.138 -11.889 4.417 1.00 0.00 O ATOM 38 ND2 ASN A 3 16.455 -13.539 3.005 1.00 0.00 N ATOM 0 H ASN A 3 14.954 -15.117 5.518 1.00 0.00 H new ATOM 0 HA ASN A 3 13.995 -12.362 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.035 -14.202 3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.577 -12.511 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.437 -13.284 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.077 -14.334 2.490 1.00 0.00 H new ATOM 45 N LYS A 4 11.522 -12.753 5.772 1.00 0.00 N ATOM 46 CA LYS A 4 10.088 -12.998 5.941 1.00 0.00 C ATOM 47 C LYS A 4 9.269 -12.066 5.052 1.00 0.00 C ATOM 48 O LYS A 4 9.763 -11.033 4.591 1.00 0.00 O ATOM 49 CB LYS A 4 9.684 -12.802 7.414 1.00 0.00 C ATOM 50 CG LYS A 4 10.335 -11.530 7.988 1.00 0.00 C ATOM 51 CD LYS A 4 11.631 -11.896 8.730 1.00 0.00 C ATOM 52 CE LYS A 4 12.502 -10.649 8.906 1.00 0.00 C ATOM 53 NZ LYS A 4 13.786 -11.033 9.556 1.00 0.00 N ATOM 0 H LYS A 4 11.786 -11.768 5.807 1.00 0.00 H new ATOM 0 HA LYS A 4 9.883 -14.027 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.599 -12.730 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.989 -13.669 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.552 -10.827 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.644 -11.032 8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.394 -12.325 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.178 -12.656 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.695 -10.187 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.980 -9.910 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.457 -10.241 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.614 -11.264 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.185 -11.863 9.073 1.00 0.00 H new ATOM 67 N PHE A 5 8.011 -12.444 4.823 1.00 0.00 N ATOM 68 CA PHE A 5 7.103 -11.652 3.991 1.00 0.00 C ATOM 69 C PHE A 5 6.797 -10.301 4.636 1.00 0.00 C ATOM 70 O PHE A 5 6.246 -9.411 3.991 1.00 0.00 O ATOM 71 CB PHE A 5 5.793 -12.422 3.767 1.00 0.00 C ATOM 72 CG PHE A 5 5.103 -12.662 5.098 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.198 -11.717 5.598 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.373 -13.825 5.831 1.00 0.00 C ATOM 75 CE1 PHE A 5 3.563 -11.935 6.825 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.737 -14.042 7.058 1.00 0.00 C ATOM 77 CZ PHE A 5 3.832 -13.097 7.555 1.00 0.00 C ATOM 0 H PHE A 5 7.597 -13.295 5.203 1.00 0.00 H new ATOM 0 HA PHE A 5 7.594 -11.473 3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.138 -11.857 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.999 -13.374 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.990 -10.819 5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.072 -14.554 5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.865 -11.206 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.944 -14.939 7.622 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.341 -13.265 8.502 1.00 0.00 H new ATOM 87 N ASN A 6 7.155 -10.165 5.911 1.00 0.00 N ATOM 88 CA ASN A 6 6.916 -8.923 6.648 1.00 0.00 C ATOM 89 C ASN A 6 7.550 -7.739 5.920 1.00 0.00 C ATOM 90 O ASN A 6 7.026 -6.625 5.952 1.00 0.00 O ATOM 91 CB ASN A 6 7.514 -9.015 8.053 1.00 0.00 C ATOM 92 CG ASN A 6 6.904 -10.178 8.844 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.291 -10.413 9.987 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.976 -10.924 8.309 1.00 0.00 N ATOM 0 H ASN A 6 7.611 -10.897 6.456 1.00 0.00 H new ATOM 0 HA ASN A 6 5.838 -8.774 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.594 -9.147 7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.341 -8.080 8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.575 -11.698 8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.652 -10.733 7.361 1.00 0.00 H new ATOM 101 N LYS A 7 8.681 -8.002 5.265 1.00 0.00 N ATOM 102 CA LYS A 7 9.400 -6.969 4.522 1.00 0.00 C ATOM 103 C LYS A 7 8.502 -6.352 3.455 1.00 0.00 C ATOM 104 O LYS A 7 8.599 -5.161 3.158 1.00 0.00 O ATOM 105 CB LYS A 7 10.647 -7.573 3.862 1.00 0.00 C ATOM 106 CG LYS A 7 11.613 -8.082 4.941 1.00 0.00 C ATOM 107 CD LYS A 7 12.904 -8.584 4.282 1.00 0.00 C ATOM 108 CE LYS A 7 13.818 -9.211 5.341 1.00 0.00 C ATOM 109 NZ LYS A 7 15.198 -9.339 4.793 1.00 0.00 N ATOM 0 H LYS A 7 9.119 -8.923 5.234 1.00 0.00 H new ATOM 0 HA LYS A 7 9.701 -6.188 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.360 -8.392 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.141 -6.824 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.840 -7.283 5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.147 -8.886 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.668 -9.318 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.417 -7.758 3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.828 -8.594 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.438 -10.191 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.404 -10.340 4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.272 -8.796 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.882 -8.970 5.484 1.00 0.00 H new ATOM 123 N GLU A 8 7.630 -7.184 2.896 1.00 0.00 N ATOM 124 CA GLU A 8 6.696 -6.745 1.858 1.00 0.00 C ATOM 125 C GLU A 8 5.759 -5.673 2.391 1.00 0.00 C ATOM 126 O GLU A 8 5.352 -4.768 1.662 1.00 0.00 O ATOM 127 CB GLU A 8 5.852 -7.930 1.364 1.00 0.00 C ATOM 128 CG GLU A 8 6.758 -9.038 0.807 1.00 0.00 C ATOM 129 CD GLU A 8 5.921 -10.253 0.389 1.00 0.00 C ATOM 130 OE1 GLU A 8 4.907 -10.065 -0.268 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.312 -11.358 0.726 1.00 0.00 O ATOM 0 H GLU A 8 7.548 -8.170 3.143 1.00 0.00 H new ATOM 0 HA GLU A 8 7.284 -6.337 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.249 -8.322 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.160 -7.595 0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.318 -8.662 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.488 -9.333 1.561 1.00 0.00 H new ATOM 138 N LEU A 9 5.410 -5.798 3.666 1.00 0.00 N ATOM 139 CA LEU A 9 4.501 -4.848 4.299 1.00 0.00 C ATOM 140 C LEU A 9 5.163 -3.498 4.504 1.00 0.00 C ATOM 141 O LEU A 9 4.515 -2.470 4.345 1.00 0.00 O ATOM 142 CB LEU A 9 3.998 -5.374 5.653 1.00 0.00 C ATOM 143 CG LEU A 9 2.999 -6.517 5.435 1.00 0.00 C ATOM 144 CD1 LEU A 9 3.732 -7.747 4.907 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.311 -6.865 6.758 1.00 0.00 C ATOM 0 H LEU A 9 5.740 -6.543 4.280 1.00 0.00 H new ATOM 0 HA LEU A 9 3.653 -4.728 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.839 -5.725 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.524 -4.567 6.212 1.00 0.00 H new ATOM 0 HG LEU A 9 2.249 -6.201 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.019 -8.557 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.215 -7.504 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.486 -8.059 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.602 -7.678 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.060 -7.176 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.780 -5.990 7.133 1.00 0.00 H new ATOM 157 N GLY A 10 6.457 -3.498 4.821 1.00 0.00 N ATOM 158 CA GLY A 10 7.167 -2.248 5.010 1.00 0.00 C ATOM 159 C GLY A 10 7.384 -1.628 3.658 1.00 0.00 C ATOM 160 O GLY A 10 7.364 -0.408 3.498 1.00 0.00 O ATOM 0 H GLY A 10 7.022 -4.338 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.593 -1.577 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.121 -2.423 5.507 1.00 0.00 H new ATOM 164 N TRP A 11 7.586 -2.513 2.688 1.00 0.00 N ATOM 165 CA TRP A 11 7.820 -2.124 1.324 1.00 0.00 C ATOM 166 C TRP A 11 6.610 -1.435 0.713 1.00 0.00 C ATOM 167 O TRP A 11 6.713 -0.337 0.169 1.00 0.00 O ATOM 168 CB TRP A 11 8.131 -3.380 0.516 1.00 0.00 C ATOM 169 CG TRP A 11 8.771 -2.970 -0.747 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.012 -2.485 -0.820 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.235 -2.982 -2.092 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.291 -2.183 -2.142 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.224 -2.485 -2.968 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.001 -3.377 -2.632 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.998 -2.381 -4.339 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.767 -3.276 -4.013 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.765 -2.780 -4.865 1.00 0.00 C ATOM 0 H TRP A 11 7.590 -3.522 2.838 1.00 0.00 H new ATOM 0 HA TRP A 11 8.651 -1.419 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.790 -4.040 1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.217 -3.938 0.315 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.686 -2.351 0.013 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.173 -1.787 -2.466 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.228 -3.760 -1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.769 -1.995 -4.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.815 -3.581 -4.421 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.581 -2.706 -5.927 1.00 0.00 H new ATOM 188 N ALA A 12 5.465 -2.092 0.800 1.00 0.00 N ATOM 189 CA ALA A 12 4.244 -1.541 0.242 1.00 0.00 C ATOM 190 C ALA A 12 3.762 -0.326 1.018 1.00 0.00 C ATOM 191 O ALA A 12 3.139 0.564 0.449 1.00 0.00 O ATOM 192 CB ALA A 12 3.150 -2.588 0.215 1.00 0.00 C ATOM 0 H ALA A 12 5.357 -3.002 1.249 1.00 0.00 H new ATOM 0 HA ALA A 12 4.474 -1.226 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.243 -2.155 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.469 -3.431 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.950 -2.932 1.230 1.00 0.00 H new ATOM 198 N THR A 13 4.024 -0.299 2.323 1.00 0.00 N ATOM 199 CA THR A 13 3.560 0.813 3.135 1.00 0.00 C ATOM 200 C THR A 13 4.150 2.097 2.622 1.00 0.00 C ATOM 201 O THR A 13 3.425 3.061 2.417 1.00 0.00 O ATOM 202 CB THR A 13 3.915 0.616 4.620 1.00 0.00 C ATOM 203 OG1 THR A 13 3.196 -0.495 5.128 1.00 0.00 O ATOM 204 CG2 THR A 13 3.539 1.869 5.428 1.00 0.00 C ATOM 0 H THR A 13 4.543 -1.018 2.827 1.00 0.00 H new ATOM 0 HA THR A 13 2.473 0.858 3.061 1.00 0.00 H new ATOM 0 HB THR A 13 4.987 0.442 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.413 -1.293 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.795 1.716 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.087 2.729 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.468 2.051 5.339 1.00 0.00 H new ATOM 212 N TRP A 14 5.458 2.086 2.390 1.00 0.00 N ATOM 213 CA TRP A 14 6.136 3.259 1.880 1.00 0.00 C ATOM 214 C TRP A 14 5.725 3.531 0.420 1.00 0.00 C ATOM 215 O TRP A 14 5.558 4.687 0.039 1.00 0.00 O ATOM 216 CB TRP A 14 7.659 3.108 2.098 1.00 0.00 C ATOM 217 CG TRP A 14 8.302 2.251 1.058 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.873 1.052 1.299 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.478 2.506 -0.359 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.335 0.530 0.111 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.114 1.389 -0.937 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.131 3.578 -1.195 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.387 1.334 -2.290 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.405 3.525 -2.558 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.026 2.405 -3.101 1.00 0.00 C ATOM 0 H TRP A 14 6.062 1.280 2.548 1.00 0.00 H new ATOM 0 HA TRP A 14 5.832 4.148 2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.124 4.094 2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.841 2.678 3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.954 0.579 2.266 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.785 -0.381 0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.648 4.450 -0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.875 0.469 -2.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.135 4.354 -3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.230 2.367 -4.161 1.00 0.00 H new ATOM 236 N GLU A 15 5.526 2.466 -0.384 1.00 0.00 N ATOM 237 CA GLU A 15 5.108 2.618 -1.786 1.00 0.00 C ATOM 238 C GLU A 15 3.791 3.376 -1.885 1.00 0.00 C ATOM 239 O GLU A 15 3.643 4.317 -2.667 1.00 0.00 O ATOM 240 CB GLU A 15 4.847 1.221 -2.354 1.00 0.00 C ATOM 241 CG GLU A 15 6.139 0.489 -2.694 1.00 0.00 C ATOM 242 CD GLU A 15 6.664 0.889 -4.084 1.00 0.00 C ATOM 243 OE1 GLU A 15 6.214 1.892 -4.624 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.523 0.189 -4.586 1.00 0.00 O ATOM 0 H GLU A 15 5.648 1.498 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 15 5.889 3.157 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.279 0.636 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.231 1.304 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.894 0.712 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.968 -0.587 -2.664 1.00 0.00 H new ATOM 251 N ILE A 16 2.856 2.936 -1.076 1.00 0.00 N ATOM 252 CA ILE A 16 1.523 3.512 -1.006 1.00 0.00 C ATOM 253 C ILE A 16 1.600 4.890 -0.382 1.00 0.00 C ATOM 254 O ILE A 16 0.993 5.842 -0.860 1.00 0.00 O ATOM 255 CB ILE A 16 0.694 2.518 -0.189 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.699 1.213 -1.002 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.750 3.006 0.065 1.00 0.00 C ATOM 258 CD1 ILE A 16 -0.009 0.114 -0.240 1.00 0.00 C ATOM 0 H ILE A 16 2.997 2.155 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 16 1.060 3.660 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 16 1.125 2.389 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.208 1.373 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.725 0.914 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.289 2.260 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.725 3.947 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.256 3.156 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.003 -0.803 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.500 -0.057 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.041 0.410 -0.050 1.00 0.00 H new ATOM 270 N PHE A 17 2.392 4.985 0.664 1.00 0.00 N ATOM 271 CA PHE A 17 2.600 6.262 1.348 1.00 0.00 C ATOM 272 C PHE A 17 3.327 7.270 0.453 1.00 0.00 C ATOM 273 O PHE A 17 3.288 8.474 0.714 1.00 0.00 O ATOM 274 CB PHE A 17 3.435 6.048 2.612 1.00 0.00 C ATOM 275 CG PHE A 17 2.576 6.086 3.860 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.528 7.017 3.997 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.838 5.178 4.887 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.756 7.025 5.164 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.069 5.192 6.052 1.00 0.00 C ATOM 280 CZ PHE A 17 1.028 6.115 6.194 1.00 0.00 C ATOM 0 H PHE A 17 2.906 4.201 1.066 1.00 0.00 H new ATOM 0 HA PHE A 17 1.617 6.659 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.948 5.088 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.204 6.818 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.321 7.721 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.639 4.462 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.051 7.734 5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.278 4.489 6.845 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.435 6.126 7.096 1.00 0.00 H new ATOM 290 N ASN A 18 3.991 6.774 -0.592 1.00 0.00 N ATOM 291 CA ASN A 18 4.731 7.641 -1.511 1.00 0.00 C ATOM 292 C ASN A 18 3.801 8.196 -2.583 1.00 0.00 C ATOM 293 O ASN A 18 4.250 8.647 -3.640 1.00 0.00 O ATOM 294 CB ASN A 18 5.891 6.860 -2.156 1.00 0.00 C ATOM 295 CG ASN A 18 7.128 6.902 -1.258 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.254 6.858 -1.752 1.00 0.00 O ATOM 297 ND2 ASN A 18 6.991 6.981 0.039 1.00 0.00 N ATOM 0 H ASN A 18 4.032 5.781 -0.823 1.00 0.00 H new ATOM 0 HA ASN A 18 5.144 8.478 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.592 5.826 -2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.127 7.287 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.816 7.006 0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.059 7.018 0.452 1.00 0.00 H new ATOM 304 N LEU A 19 2.501 8.174 -2.292 1.00 0.00 N ATOM 305 CA LEU A 19 1.516 8.683 -3.218 1.00 0.00 C ATOM 306 C LEU A 19 1.266 10.147 -2.939 1.00 0.00 C ATOM 307 O LEU A 19 1.059 10.533 -1.786 1.00 0.00 O ATOM 308 CB LEU A 19 0.222 7.884 -3.109 1.00 0.00 C ATOM 309 CG LEU A 19 0.395 6.511 -3.781 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.961 5.866 -4.013 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.093 6.659 -5.126 1.00 0.00 C ATOM 0 H LEU A 19 2.116 7.808 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 19 1.893 8.578 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.048 7.754 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.594 8.430 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 19 0.998 5.888 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.825 4.895 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.469 5.734 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.563 6.506 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.207 5.678 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.497 7.299 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.076 7.107 -4.979 1.00 0.00 H new ATOM 323 N PRO A 20 1.331 10.977 -3.951 1.00 0.00 N ATOM 324 CA PRO A 20 1.165 12.429 -3.767 1.00 0.00 C ATOM 325 C PRO A 20 -0.249 12.900 -3.400 1.00 0.00 C ATOM 326 O PRO A 20 -0.441 14.108 -3.237 1.00 0.00 O ATOM 327 CB PRO A 20 1.605 13.060 -5.100 1.00 0.00 C ATOM 328 CG PRO A 20 2.009 11.944 -6.009 1.00 0.00 C ATOM 329 CD PRO A 20 1.574 10.632 -5.364 1.00 0.00 C ATOM 0 HA PRO A 20 1.762 12.736 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.791 13.637 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.436 13.748 -4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.543 12.061 -6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.087 11.952 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.675 10.237 -5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.346 9.868 -5.459 1.00 0.00 H new ATOM 337 N ASN A 21 -1.248 12.002 -3.295 1.00 0.00 N ATOM 338 CA ASN A 21 -2.596 12.468 -2.982 1.00 0.00 C ATOM 339 C ASN A 21 -3.252 11.674 -1.855 1.00 0.00 C ATOM 340 O ASN A 21 -4.359 12.013 -1.442 1.00 0.00 O ATOM 341 CB ASN A 21 -3.455 12.409 -4.246 1.00 0.00 C ATOM 342 CG ASN A 21 -2.782 13.191 -5.370 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.863 14.419 -5.409 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.117 12.553 -6.285 1.00 0.00 N ATOM 0 H ASN A 21 -1.148 10.994 -3.418 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.516 13.496 -2.628 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.600 11.372 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.443 12.823 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.661 13.069 -7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.051 11.536 -6.251 1.00 0.00 H new ATOM 351 N LEU A 22 -2.578 10.639 -1.338 1.00 0.00 N ATOM 352 CA LEU A 22 -3.149 9.852 -0.250 1.00 0.00 C ATOM 353 C LEU A 22 -3.114 10.593 1.072 1.00 0.00 C ATOM 354 O LEU A 22 -2.315 11.509 1.278 1.00 0.00 O ATOM 355 CB LEU A 22 -2.364 8.570 -0.015 1.00 0.00 C ATOM 356 CG LEU A 22 -2.520 7.563 -1.150 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.856 6.243 -0.720 1.00 0.00 C ATOM 358 CD2 LEU A 22 -4.001 7.307 -1.426 1.00 0.00 C ATOM 0 H LEU A 22 -1.656 10.335 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.174 9.648 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.308 8.813 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.695 8.113 0.918 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.053 7.954 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.956 5.508 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.799 6.416 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.341 5.868 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.101 6.587 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.475 6.910 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.485 8.242 -1.709 1.00 0.00 H new ATOM 370 N ASN A 23 -3.947 10.108 1.983 1.00 0.00 N ATOM 371 CA ASN A 23 -4.001 10.620 3.336 1.00 0.00 C ATOM 372 C ASN A 23 -3.847 9.427 4.283 1.00 0.00 C ATOM 373 O ASN A 23 -4.017 8.276 3.867 1.00 0.00 O ATOM 374 CB ASN A 23 -5.314 11.383 3.580 1.00 0.00 C ATOM 375 CG ASN A 23 -6.450 10.428 3.921 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.974 10.467 5.031 1.00 0.00 O ATOM 377 ND2 ASN A 23 -6.859 9.570 3.033 1.00 0.00 N ATOM 0 H ASN A 23 -4.603 9.348 1.800 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.197 11.335 3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.178 12.096 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.574 11.959 2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.618 8.926 3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.421 9.541 2.112 1.00 0.00 H new ATOM 384 N GLY A 24 -3.501 9.701 5.534 1.00 0.00 N ATOM 385 CA GLY A 24 -3.292 8.650 6.530 1.00 0.00 C ATOM 386 C GLY A 24 -4.412 7.606 6.541 1.00 0.00 C ATOM 387 O GLY A 24 -4.172 6.456 6.899 1.00 0.00 O ATOM 0 H GLY A 24 -3.358 10.647 5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.342 8.154 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.216 9.103 7.518 1.00 0.00 H new ATOM 391 N VAL A 25 -5.630 7.999 6.155 1.00 0.00 N ATOM 392 CA VAL A 25 -6.756 7.065 6.145 1.00 0.00 C ATOM 393 C VAL A 25 -6.640 6.071 4.991 1.00 0.00 C ATOM 394 O VAL A 25 -6.766 4.862 5.195 1.00 0.00 O ATOM 395 CB VAL A 25 -8.082 7.829 6.040 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.251 6.834 6.006 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.234 8.746 7.259 1.00 0.00 C ATOM 0 H VAL A 25 -5.858 8.945 5.849 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.734 6.508 7.082 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.086 8.424 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.191 7.380 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.144 6.176 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.249 6.239 6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.175 9.291 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.229 8.146 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.406 9.454 7.287 1.00 0.00 H new ATOM 407 N GLN A 26 -6.412 6.585 3.779 1.00 0.00 N ATOM 408 CA GLN A 26 -6.301 5.734 2.603 1.00 0.00 C ATOM 409 C GLN A 26 -5.080 4.850 2.656 1.00 0.00 C ATOM 410 O GLN A 26 -5.170 3.650 2.400 1.00 0.00 O ATOM 411 CB GLN A 26 -6.254 6.596 1.358 1.00 0.00 C ATOM 412 CG GLN A 26 -7.650 7.142 1.118 1.00 0.00 C ATOM 413 CD GLN A 26 -7.686 8.001 -0.130 1.00 0.00 C ATOM 414 OE1 GLN A 26 -6.797 7.934 -0.973 1.00 0.00 O ATOM 415 NE2 GLN A 26 -8.676 8.811 -0.297 1.00 0.00 N ATOM 0 H GLN A 26 -6.302 7.582 3.592 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.176 5.084 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.542 7.411 1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.920 6.011 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.355 6.317 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.968 7.730 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.414 8.866 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.721 9.397 -1.131 1.00 0.00 H new ATOM 424 N VAL A 27 -3.941 5.442 2.985 1.00 0.00 N ATOM 425 CA VAL A 27 -2.710 4.676 3.050 1.00 0.00 C ATOM 426 C VAL A 27 -2.855 3.557 4.059 1.00 0.00 C ATOM 427 O VAL A 27 -2.611 2.405 3.742 1.00 0.00 O ATOM 428 CB VAL A 27 -1.544 5.576 3.461 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.252 4.750 3.430 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.439 6.756 2.488 1.00 0.00 C ATOM 0 H VAL A 27 -3.845 6.433 3.207 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.509 4.258 2.063 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.705 5.965 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.589 5.379 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.338 3.914 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.088 4.369 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.608 7.397 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.269 6.381 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.365 7.330 2.511 1.00 0.00 H new ATOM 440 N LYS A 28 -3.292 3.921 5.259 1.00 0.00 N ATOM 441 CA LYS A 28 -3.498 2.967 6.345 1.00 0.00 C ATOM 442 C LYS A 28 -4.424 1.861 5.886 1.00 0.00 C ATOM 443 O LYS A 28 -4.238 0.713 6.257 1.00 0.00 O ATOM 444 CB LYS A 28 -4.082 3.670 7.582 1.00 0.00 C ATOM 445 CG LYS A 28 -4.197 2.680 8.755 1.00 0.00 C ATOM 446 CD LYS A 28 -2.810 2.409 9.364 1.00 0.00 C ATOM 447 CE LYS A 28 -2.763 0.988 9.938 1.00 0.00 C ATOM 448 NZ LYS A 28 -2.602 0.009 8.825 1.00 0.00 N ATOM 0 H LYS A 28 -3.514 4.885 5.508 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.535 2.537 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.446 4.509 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.064 4.080 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.863 3.084 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.639 1.745 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.039 2.529 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.599 3.135 10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.935 0.895 10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.677 0.778 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.128 -0.860 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.971 0.421 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.594 -0.218 8.705 1.00 0.00 H new ATOM 462 N ALA A 29 -5.397 2.213 5.054 1.00 0.00 N ATOM 463 CA ALA A 29 -6.323 1.232 4.522 1.00 0.00 C ATOM 464 C ALA A 29 -5.553 0.227 3.683 1.00 0.00 C ATOM 465 O ALA A 29 -5.779 -0.981 3.775 1.00 0.00 O ATOM 466 CB ALA A 29 -7.371 1.927 3.659 1.00 0.00 C ATOM 0 H ALA A 29 -5.561 3.168 4.737 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.824 0.718 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.065 1.186 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.919 2.650 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.879 2.443 2.834 1.00 0.00 H new ATOM 472 N PHE A 30 -4.617 0.737 2.881 1.00 0.00 N ATOM 473 CA PHE A 30 -3.799 -0.102 2.065 1.00 0.00 C ATOM 474 C PHE A 30 -2.789 -0.806 2.953 1.00 0.00 C ATOM 475 O PHE A 30 -2.507 -1.989 2.765 1.00 0.00 O ATOM 476 CB PHE A 30 -3.159 0.734 0.966 1.00 0.00 C ATOM 477 CG PHE A 30 -4.267 1.387 0.161 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.313 0.599 -0.347 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.277 2.772 -0.055 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.349 1.191 -1.057 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.319 3.357 -0.764 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.355 2.566 -1.263 1.00 0.00 C ATOM 0 H PHE A 30 -4.421 1.734 2.793 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.387 -0.873 1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.505 1.492 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.541 0.108 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.311 -0.469 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.475 3.384 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.151 0.583 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.327 4.424 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.165 3.024 -1.812 1.00 0.00 H new ATOM 492 N ILE A 31 -2.297 -0.082 3.970 1.00 0.00 N ATOM 493 CA ILE A 31 -1.374 -0.666 4.929 1.00 0.00 C ATOM 494 C ILE A 31 -2.119 -1.790 5.667 1.00 0.00 C ATOM 495 O ILE A 31 -1.531 -2.814 6.019 1.00 0.00 O ATOM 496 CB ILE A 31 -0.852 0.366 5.971 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.317 1.688 5.341 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.291 -0.274 6.765 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.255 1.485 3.944 1.00 0.00 C ATOM 0 H ILE A 31 -2.525 0.897 4.141 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.504 -1.036 4.386 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.704 0.629 6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.126 2.417 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.454 2.107 5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.667 0.438 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.075 -1.164 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.096 -0.552 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.612 2.439 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.084 0.778 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.521 1.093 3.287 1.00 0.00 H new ATOM 511 N ASP A 32 -3.431 -1.585 5.881 1.00 0.00 N ATOM 512 CA ASP A 32 -4.265 -2.583 6.557 1.00 0.00 C ATOM 513 C ASP A 32 -4.393 -3.829 5.689 1.00 0.00 C ATOM 514 O ASP A 32 -4.278 -4.956 6.177 1.00 0.00 O ATOM 515 CB ASP A 32 -5.669 -2.016 6.852 1.00 0.00 C ATOM 516 CG ASP A 32 -5.643 -1.038 8.033 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.987 -1.332 9.018 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.304 -0.017 7.941 1.00 0.00 O ATOM 0 H ASP A 32 -3.930 -0.742 5.596 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.787 -2.843 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.051 -1.509 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.355 -2.835 7.071 1.00 0.00 H new ATOM 523 N SER A 33 -4.620 -3.604 4.395 1.00 0.00 N ATOM 524 CA SER A 33 -4.756 -4.694 3.431 1.00 0.00 C ATOM 525 C SER A 33 -3.453 -5.487 3.336 1.00 0.00 C ATOM 526 O SER A 33 -3.461 -6.688 3.066 1.00 0.00 O ATOM 527 CB SER A 33 -5.125 -4.129 2.061 1.00 0.00 C ATOM 528 OG SER A 33 -6.278 -3.307 2.185 1.00 0.00 O ATOM 0 H SER A 33 -4.714 -2.673 3.990 1.00 0.00 H new ATOM 0 HA SER A 33 -5.547 -5.364 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.294 -3.550 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.317 -4.941 1.360 1.00 0.00 H new ATOM 0 HG SER A 33 -6.031 -2.460 2.611 1.00 0.00 H new ATOM 534 N LEU A 34 -2.335 -4.790 3.557 1.00 0.00 N ATOM 535 CA LEU A 34 -1.010 -5.411 3.498 1.00 0.00 C ATOM 536 C LEU A 34 -0.925 -6.569 4.490 1.00 0.00 C ATOM 537 O LEU A 34 -0.443 -7.654 4.162 1.00 0.00 O ATOM 538 CB LEU A 34 0.067 -4.365 3.869 1.00 0.00 C ATOM 539 CG LEU A 34 1.021 -4.087 2.710 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.492 -5.401 2.072 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.287 -3.205 1.699 1.00 0.00 C ATOM 0 H LEU A 34 -2.322 -3.794 3.779 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.844 -5.783 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.418 -3.436 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.635 -4.720 4.729 1.00 0.00 H new ATOM 0 HG LEU A 34 1.913 -3.571 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.171 -5.182 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.010 -6.003 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.630 -5.952 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.946 -2.990 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.601 -3.725 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.008 -2.271 2.177 1.00 0.00 H new ATOM 553 N ARG A 35 -1.406 -6.314 5.701 1.00 0.00 N ATOM 554 CA ARG A 35 -1.410 -7.321 6.763 1.00 0.00 C ATOM 555 C ARG A 35 -2.291 -8.502 6.368 1.00 0.00 C ATOM 556 O ARG A 35 -1.962 -9.659 6.638 1.00 0.00 O ATOM 557 CB ARG A 35 -1.948 -6.699 8.055 1.00 0.00 C ATOM 558 CG ARG A 35 -0.996 -5.598 8.550 1.00 0.00 C ATOM 559 CD ARG A 35 -1.803 -4.421 9.113 1.00 0.00 C ATOM 560 NE ARG A 35 -2.948 -4.902 9.884 1.00 0.00 N ATOM 561 CZ ARG A 35 -4.053 -4.175 10.002 1.00 0.00 C ATOM 562 NH1 ARG A 35 -5.009 -4.300 9.127 1.00 0.00 N ATOM 563 NH2 ARG A 35 -4.179 -3.338 10.991 1.00 0.00 N ATOM 0 H ARG A 35 -1.801 -5.415 5.976 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.390 -7.673 6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.940 -6.281 7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.056 -7.468 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.334 -5.997 9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.364 -5.257 7.730 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.164 -3.806 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.148 -3.787 8.297 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.897 -5.813 10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.909 -4.956 8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.858 -3.742 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.429 -3.241 11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.028 -2.780 11.082 1.00 0.00 H new ATOM 577 N ASP A 36 -3.411 -8.183 5.721 1.00 0.00 N ATOM 578 CA ASP A 36 -4.364 -9.191 5.268 1.00 0.00 C ATOM 579 C ASP A 36 -3.752 -10.061 4.176 1.00 0.00 C ATOM 580 O ASP A 36 -4.150 -11.214 3.990 1.00 0.00 O ATOM 581 CB ASP A 36 -5.634 -8.506 4.745 1.00 0.00 C ATOM 582 CG ASP A 36 -6.714 -9.546 4.447 1.00 0.00 C ATOM 583 OD1 ASP A 36 -7.411 -9.929 5.373 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.826 -9.945 3.299 1.00 0.00 O ATOM 0 H ASP A 36 -3.681 -7.225 5.498 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.621 -9.831 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.001 -7.792 5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.405 -7.941 3.842 1.00 0.00 H new ATOM 589 N ASP A 37 -2.782 -9.495 3.468 1.00 0.00 N ATOM 590 CA ASP A 37 -2.099 -10.199 2.398 1.00 0.00 C ATOM 591 C ASP A 37 -0.862 -9.423 1.961 1.00 0.00 C ATOM 592 O ASP A 37 -0.971 -8.315 1.425 1.00 0.00 O ATOM 593 CB ASP A 37 -3.030 -10.406 1.199 1.00 0.00 C ATOM 594 CG ASP A 37 -2.479 -11.511 0.292 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.340 -11.396 -0.134 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.207 -12.455 0.033 1.00 0.00 O ATOM 0 H ASP A 37 -2.451 -8.542 3.620 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.796 -11.176 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.029 -10.673 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.125 -9.477 0.637 1.00 0.00 H new ATOM 601 N PRO A 38 0.305 -9.978 2.175 1.00 0.00 N ATOM 602 CA PRO A 38 1.589 -9.333 1.797 1.00 0.00 C ATOM 603 C PRO A 38 1.864 -9.403 0.298 1.00 0.00 C ATOM 604 O PRO A 38 2.491 -8.506 -0.267 1.00 0.00 O ATOM 605 CB PRO A 38 2.642 -10.110 2.599 1.00 0.00 C ATOM 606 CG PRO A 38 1.903 -11.110 3.428 1.00 0.00 C ATOM 607 CD PRO A 38 0.546 -11.289 2.795 1.00 0.00 C ATOM 0 HA PRO A 38 1.587 -8.266 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.347 -10.606 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.221 -9.437 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.441 -12.057 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.806 -10.762 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.545 -12.092 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.217 -11.534 3.534 1.00 0.00 H new ATOM 615 N SER A 39 1.376 -10.469 -0.338 1.00 0.00 N ATOM 616 CA SER A 39 1.557 -10.653 -1.776 1.00 0.00 C ATOM 617 C SER A 39 0.743 -9.618 -2.541 1.00 0.00 C ATOM 618 O SER A 39 1.086 -9.240 -3.662 1.00 0.00 O ATOM 619 CB SER A 39 1.123 -12.062 -2.189 1.00 0.00 C ATOM 620 OG SER A 39 1.774 -13.020 -1.362 1.00 0.00 O ATOM 0 H SER A 39 0.854 -11.216 0.120 1.00 0.00 H new ATOM 0 HA SER A 39 2.613 -10.524 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.041 -12.162 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.373 -12.239 -3.235 1.00 0.00 H new ATOM 0 HG SER A 39 1.495 -13.922 -1.625 1.00 0.00 H new ATOM 626 N GLN A 40 -0.345 -9.173 -1.914 1.00 0.00 N ATOM 627 CA GLN A 40 -1.233 -8.188 -2.516 1.00 0.00 C ATOM 628 C GLN A 40 -0.634 -6.805 -2.519 1.00 0.00 C ATOM 629 O GLN A 40 -1.191 -5.925 -3.147 1.00 0.00 O ATOM 630 CB GLN A 40 -2.565 -8.126 -1.760 1.00 0.00 C ATOM 631 CG GLN A 40 -3.387 -9.390 -2.012 1.00 0.00 C ATOM 632 CD GLN A 40 -3.872 -9.436 -3.459 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.539 -8.513 -3.923 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.570 -10.463 -4.204 1.00 0.00 N ATOM 0 H GLN A 40 -0.631 -9.483 -0.985 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.390 -8.509 -3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.378 -8.014 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.129 -7.249 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.783 -10.272 -1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.241 -9.416 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.017 -11.228 -3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.887 -10.501 -5.173 1.00 0.00 H new ATOM 643 N SER A 41 0.477 -6.611 -1.819 1.00 0.00 N ATOM 644 CA SER A 41 1.092 -5.293 -1.711 1.00 0.00 C ATOM 645 C SER A 41 1.034 -4.512 -3.015 1.00 0.00 C ATOM 646 O SER A 41 0.694 -3.336 -2.999 1.00 0.00 O ATOM 647 CB SER A 41 2.560 -5.464 -1.313 1.00 0.00 C ATOM 648 OG SER A 41 3.145 -6.496 -2.097 1.00 0.00 O ATOM 0 H SER A 41 0.971 -7.349 -1.318 1.00 0.00 H new ATOM 0 HA SER A 41 0.534 -4.732 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.100 -4.529 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.635 -5.710 -0.254 1.00 0.00 H new ATOM 0 HG SER A 41 3.054 -7.353 -1.630 1.00 0.00 H new ATOM 654 N ALA A 42 1.319 -5.165 -4.130 1.00 0.00 N ATOM 655 CA ALA A 42 1.272 -4.503 -5.421 1.00 0.00 C ATOM 656 C ALA A 42 -0.155 -4.082 -5.770 1.00 0.00 C ATOM 657 O ALA A 42 -0.374 -3.035 -6.375 1.00 0.00 O ATOM 658 CB ALA A 42 1.801 -5.452 -6.485 1.00 0.00 C ATOM 0 H ALA A 42 1.584 -6.149 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 42 1.889 -3.606 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.769 -4.962 -7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.830 -5.725 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.184 -6.350 -6.511 1.00 0.00 H new ATOM 664 N ASN A 43 -1.113 -4.909 -5.368 1.00 0.00 N ATOM 665 CA ASN A 43 -2.517 -4.641 -5.601 1.00 0.00 C ATOM 666 C ASN A 43 -2.975 -3.498 -4.707 1.00 0.00 C ATOM 667 O ASN A 43 -3.725 -2.628 -5.112 1.00 0.00 O ATOM 668 CB ASN A 43 -3.337 -5.893 -5.310 1.00 0.00 C ATOM 669 CG ASN A 43 -4.711 -5.820 -5.976 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.168 -4.746 -6.373 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.395 -6.915 -6.124 1.00 0.00 N ATOM 0 H ASN A 43 -0.933 -5.782 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.662 -4.358 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.802 -6.773 -5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.458 -6.010 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.312 -6.887 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.015 -7.802 -5.795 1.00 0.00 H new ATOM 678 N LEU A 44 -2.474 -3.524 -3.483 1.00 0.00 N ATOM 679 CA LEU A 44 -2.760 -2.513 -2.483 1.00 0.00 C ATOM 680 C LEU A 44 -2.186 -1.230 -2.996 1.00 0.00 C ATOM 681 O LEU A 44 -2.797 -0.173 -2.903 1.00 0.00 O ATOM 682 CB LEU A 44 -2.143 -2.969 -1.152 1.00 0.00 C ATOM 683 CG LEU A 44 -2.590 -4.420 -0.932 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.139 -4.978 0.390 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.093 -4.508 -1.029 1.00 0.00 C ATOM 0 H LEU A 44 -1.849 -4.259 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.825 -2.365 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.056 -2.900 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.477 -2.333 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.120 -5.020 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.485 -6.007 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.051 -4.955 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.554 -4.377 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.408 -5.540 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.545 -3.871 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.414 -4.177 -2.017 1.00 0.00 H new ATOM 697 N LEU A 45 -1.039 -1.389 -3.634 1.00 0.00 N ATOM 698 CA LEU A 45 -0.371 -0.302 -4.303 1.00 0.00 C ATOM 699 C LEU A 45 -1.281 0.174 -5.414 1.00 0.00 C ATOM 700 O LEU A 45 -1.498 1.355 -5.615 1.00 0.00 O ATOM 701 CB LEU A 45 0.897 -0.827 -4.985 1.00 0.00 C ATOM 702 CG LEU A 45 2.162 -0.298 -4.365 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.068 1.224 -4.155 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.336 -1.089 -3.077 1.00 0.00 C ATOM 0 H LEU A 45 -0.549 -2.281 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.132 0.483 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.904 -1.916 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.875 -0.554 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 45 3.038 -0.429 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.992 1.587 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.914 1.715 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.231 1.449 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.241 -0.759 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.474 -0.925 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.418 -2.151 -3.310 1.00 0.00 H new ATOM 716 N ALA A 46 -1.799 -0.813 -6.133 1.00 0.00 N ATOM 717 CA ALA A 46 -2.678 -0.568 -7.261 1.00 0.00 C ATOM 718 C ALA A 46 -3.878 0.214 -6.802 1.00 0.00 C ATOM 719 O ALA A 46 -4.253 1.221 -7.392 1.00 0.00 O ATOM 720 CB ALA A 46 -3.150 -1.905 -7.832 1.00 0.00 C ATOM 0 H ALA A 46 -1.621 -1.800 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.140 -0.005 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.811 -1.725 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.288 -2.485 -8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.689 -2.459 -7.063 1.00 0.00 H new ATOM 726 N GLU A 47 -4.435 -0.256 -5.705 1.00 0.00 N ATOM 727 CA GLU A 47 -5.562 0.365 -5.086 1.00 0.00 C ATOM 728 C GLU A 47 -5.170 1.735 -4.576 1.00 0.00 C ATOM 729 O GLU A 47 -5.963 2.672 -4.573 1.00 0.00 O ATOM 730 CB GLU A 47 -5.972 -0.509 -3.925 1.00 0.00 C ATOM 731 CG GLU A 47 -6.667 -1.796 -4.406 1.00 0.00 C ATOM 732 CD GLU A 47 -7.828 -1.477 -5.352 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.696 -0.709 -4.966 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.828 -2.002 -6.454 1.00 0.00 O ATOM 0 H GLU A 47 -4.105 -1.091 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.382 0.480 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.093 -0.768 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.644 0.046 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.945 -2.434 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.037 -2.355 -3.547 1.00 0.00 H new ATOM 741 N ALA A 48 -3.922 1.820 -4.147 1.00 0.00 N ATOM 742 CA ALA A 48 -3.375 3.056 -3.629 1.00 0.00 C ATOM 743 C ALA A 48 -3.271 4.076 -4.730 1.00 0.00 C ATOM 744 O ALA A 48 -3.669 5.227 -4.572 1.00 0.00 O ATOM 745 CB ALA A 48 -1.968 2.805 -3.102 1.00 0.00 C ATOM 0 H ALA A 48 -3.266 1.039 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.030 3.419 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.554 3.735 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.005 2.062 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.336 2.439 -3.911 1.00 0.00 H new ATOM 751 N LYS A 49 -2.748 3.616 -5.856 1.00 0.00 N ATOM 752 CA LYS A 49 -2.594 4.460 -7.026 1.00 0.00 C ATOM 753 C LYS A 49 -3.968 4.874 -7.490 1.00 0.00 C ATOM 754 O LYS A 49 -4.188 6.007 -7.906 1.00 0.00 O ATOM 755 CB LYS A 49 -1.867 3.696 -8.125 1.00 0.00 C ATOM 756 CG LYS A 49 -0.341 3.892 -7.973 1.00 0.00 C ATOM 757 CD LYS A 49 0.282 2.757 -7.154 1.00 0.00 C ATOM 758 CE LYS A 49 1.814 2.809 -7.253 1.00 0.00 C ATOM 759 NZ LYS A 49 2.351 1.424 -7.383 1.00 0.00 N ATOM 0 H LYS A 49 -2.422 2.658 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.004 5.344 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.115 2.636 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.193 4.049 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.124 3.931 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.140 4.847 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.025 2.840 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.081 1.795 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.113 3.409 -8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.230 3.290 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.989 1.223 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.564 0.744 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.876 1.338 -8.277 1.00 0.00 H new ATOM 773 N LYS A 50 -4.892 3.931 -7.360 1.00 0.00 N ATOM 774 CA LYS A 50 -6.283 4.177 -7.715 1.00 0.00 C ATOM 775 C LYS A 50 -6.871 5.228 -6.789 1.00 0.00 C ATOM 776 O LYS A 50 -7.597 6.121 -7.229 1.00 0.00 O ATOM 777 CB LYS A 50 -7.099 2.882 -7.623 1.00 0.00 C ATOM 778 CG LYS A 50 -6.798 1.994 -8.833 1.00 0.00 C ATOM 779 CD LYS A 50 -7.530 0.655 -8.681 1.00 0.00 C ATOM 780 CE LYS A 50 -6.870 -0.396 -9.579 1.00 0.00 C ATOM 781 NZ LYS A 50 -6.187 -1.413 -8.728 1.00 0.00 N ATOM 0 H LYS A 50 -4.704 2.991 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.323 4.539 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.856 2.352 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.163 3.114 -7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.114 2.491 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.724 1.826 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.501 0.329 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.580 0.770 -8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.620 -0.876 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.151 0.079 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.695 -2.100 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.497 -0.941 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.892 -1.908 -8.146 1.00 0.00 H new ATOM 795 N LEU A 51 -6.529 5.125 -5.505 1.00 0.00 N ATOM 796 CA LEU A 51 -7.011 6.090 -4.518 1.00 0.00 C ATOM 797 C LEU A 51 -6.333 7.432 -4.737 1.00 0.00 C ATOM 798 O LEU A 51 -6.985 8.476 -4.746 1.00 0.00 O ATOM 799 CB LEU A 51 -6.775 5.580 -3.085 1.00 0.00 C ATOM 800 CG LEU A 51 -8.128 5.218 -2.434 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.068 6.438 -2.428 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.782 4.067 -3.217 1.00 0.00 C ATOM 0 H LEU A 51 -5.928 4.393 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.086 6.215 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.123 4.707 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.269 6.344 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.951 4.909 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.016 6.164 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.609 7.248 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.245 6.766 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.737 3.811 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.947 4.377 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.126 3.196 -3.200 1.00 0.00 H new ATOM 814 N ASN A 52 -5.023 7.382 -4.948 1.00 0.00 N ATOM 815 CA ASN A 52 -4.244 8.582 -5.215 1.00 0.00 C ATOM 816 C ASN A 52 -4.769 9.262 -6.464 1.00 0.00 C ATOM 817 O ASN A 52 -4.927 10.476 -6.494 1.00 0.00 O ATOM 818 CB ASN A 52 -2.794 8.189 -5.430 1.00 0.00 C ATOM 819 CG ASN A 52 -1.953 9.389 -5.834 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.493 10.133 -4.979 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.723 9.620 -7.095 1.00 0.00 N ATOM 0 H ASN A 52 -4.478 6.520 -4.939 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.324 9.267 -4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.393 7.752 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.733 7.422 -6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.158 10.423 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.108 8.998 -7.806 1.00 0.00 H new ATOM 828 N ASP A 53 -5.049 8.452 -7.485 1.00 0.00 N ATOM 829 CA ASP A 53 -5.579 8.962 -8.739 1.00 0.00 C ATOM 830 C ASP A 53 -6.901 9.658 -8.477 1.00 0.00 C ATOM 831 O ASP A 53 -7.196 10.711 -9.043 1.00 0.00 O ATOM 832 CB ASP A 53 -5.774 7.815 -9.739 1.00 0.00 C ATOM 833 CG ASP A 53 -6.261 8.370 -11.077 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.431 8.824 -11.848 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.460 8.346 -11.306 1.00 0.00 O ATOM 0 H ASP A 53 -4.916 7.441 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.873 9.674 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.836 7.278 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.496 7.098 -9.348 1.00 0.00 H new ATOM 840 N ALA A 54 -7.671 9.058 -7.582 1.00 0.00 N ATOM 841 CA ALA A 54 -8.954 9.598 -7.185 1.00 0.00 C ATOM 842 C ALA A 54 -8.748 10.907 -6.433 1.00 0.00 C ATOM 843 O ALA A 54 -9.547 11.837 -6.553 1.00 0.00 O ATOM 844 CB ALA A 54 -9.688 8.596 -6.292 1.00 0.00 C ATOM 0 H ALA A 54 -7.422 8.186 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.555 9.785 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.652 9.010 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.844 7.667 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.091 8.397 -5.402 1.00 0.00 H new ATOM 850 N GLN A 55 -7.653 10.967 -5.663 1.00 0.00 N ATOM 851 CA GLN A 55 -7.326 12.165 -4.897 1.00 0.00 C ATOM 852 C GLN A 55 -6.440 13.110 -5.710 1.00 0.00 C ATOM 853 O GLN A 55 -6.094 14.201 -5.250 1.00 0.00 O ATOM 854 CB GLN A 55 -6.649 11.766 -3.582 1.00 0.00 C ATOM 855 CG GLN A 55 -7.737 11.360 -2.575 1.00 0.00 C ATOM 856 CD GLN A 55 -7.178 11.375 -1.163 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.510 12.250 -0.364 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.341 10.456 -0.811 1.00 0.00 N ATOM 0 H GLN A 55 -6.986 10.202 -5.558 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.247 12.701 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.959 10.939 -3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.062 12.597 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.582 12.044 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.112 10.365 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.068 9.732 -1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.953 10.454 0.132 1.00 0.00 H new ATOM 867 N ALA A 56 -6.085 12.681 -6.923 1.00 0.00 N ATOM 868 CA ALA A 56 -5.247 13.479 -7.813 1.00 0.00 C ATOM 869 C ALA A 56 -6.107 14.294 -8.765 1.00 0.00 C ATOM 870 O ALA A 56 -7.140 13.817 -9.241 1.00 0.00 O ATOM 871 CB ALA A 56 -4.324 12.566 -8.622 1.00 0.00 C ATOM 0 H ALA A 56 -6.368 11.781 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.648 14.157 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.703 13.170 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.687 11.999 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.924 11.877 -9.217 1.00 0.00 H new ATOM 877 N PRO A 57 -5.694 15.508 -9.049 1.00 0.00 N ATOM 878 CA PRO A 57 -6.430 16.417 -9.967 1.00 0.00 C ATOM 879 C PRO A 57 -6.729 15.760 -11.315 1.00 0.00 C ATOM 880 O PRO A 57 -6.026 14.838 -11.741 1.00 0.00 O ATOM 881 CB PRO A 57 -5.501 17.617 -10.165 1.00 0.00 C ATOM 882 CG PRO A 57 -4.253 17.358 -9.393 1.00 0.00 C ATOM 883 CD PRO A 57 -4.483 16.143 -8.507 1.00 0.00 C ATOM 0 HA PRO A 57 -7.398 16.691 -9.547 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.275 17.755 -11.222 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.981 18.533 -9.820 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.417 17.181 -10.070 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.994 18.226 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.632 15.463 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.621 16.433 -7.465 1.00 0.00 H new ATOM 891 N LYS A 58 -7.772 16.256 -11.972 1.00 0.00 N ATOM 892 CA LYS A 58 -8.191 15.745 -13.282 1.00 0.00 C ATOM 893 C LYS A 58 -8.634 16.897 -14.185 1.00 0.00 C ATOM 894 O LYS A 58 -9.332 17.775 -13.701 1.00 0.00 O ATOM 895 CB LYS A 58 -9.353 14.745 -13.123 1.00 0.00 C ATOM 896 CG LYS A 58 -8.923 13.531 -12.280 1.00 0.00 C ATOM 897 CD LYS A 58 -7.926 12.664 -13.068 1.00 0.00 C ATOM 898 CE LYS A 58 -7.520 11.444 -12.233 1.00 0.00 C ATOM 899 NZ LYS A 58 -6.357 11.797 -11.372 1.00 0.00 N ATOM 900 OXT LYS A 58 -8.268 16.886 -15.350 1.00 0.00 O ATOM 0 H LYS A 58 -8.350 17.018 -11.619 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.341 15.237 -13.737 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.201 15.239 -12.649 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.687 14.411 -14.105 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.467 13.868 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.797 12.939 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.376 12.340 -14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.043 13.251 -13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.357 11.117 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.262 10.611 -12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.603 11.637 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.543 11.203 -11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.112 12.798 -11.512 1.00 0.00 H new TER 914 LYS A 58