USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 75 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 80 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.23) USER MOD Set 2.1: A 59 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.19) USER MOD Set 2.2: A 63 TYR OH : rot 100:sc= 0 USER MOD Set 3.1: A 51 SER OG : rot 180:sc= 0.514 USER MOD Set 3.2: A 55 SER OG : rot -134:sc= 0.554 USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0.00749 USER MOD Set 4.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -170:sc= 0 (180deg=-0.104) USER MOD Single : A 7 ASN : amide:sc= -0.0431 K(o=-0.043,f=-3!) USER MOD Single : A 8 LYS NZ :NH3+ -105:sc= 0.209 (180deg=-0.0318) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 178:sc= -0.0332 (180deg=-0.0368) USER MOD Single : A 14 ASN : amide:sc= -3.37 K(o=-3.4,f=-11!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.205 K(o=-0.2,f=-0.77) USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= -0.075 (180deg=-0.565) USER MOD Single : A 23 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.11) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.384 USER MOD Single : A 30 SER OG : rot 45:sc= 1.16 USER MOD Single : A 35 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) USER MOD Single : A 41 GLN : amide:sc= -0.0785 K(o=-0.078,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.02 X(o=-1,f=-0.8) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0664 X(o=-0.066,f=-0.12) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.0833 (180deg=-0.503) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.295 K(o=-0.3,f=-2.3!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.921 15.122 -6.207 1.00 0.00 N ATOM 2 CA ALA A 1 -15.990 13.715 -6.691 1.00 0.00 C ATOM 3 C ALA A 1 -14.581 13.118 -6.719 1.00 0.00 C ATOM 4 O ALA A 1 -14.380 11.967 -6.378 1.00 0.00 O ATOM 5 CB ALA A 1 -16.586 13.690 -8.100 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.883 15.474 -6.026 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.367 15.160 -5.328 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.465 15.716 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.619 13.128 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.637 12.661 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.589 14.117 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.957 14.275 -8.771 1.00 0.00 H new ATOM 13 N ARG A 2 -13.606 13.894 -7.119 1.00 0.00 N ATOM 14 CA ARG A 2 -12.205 13.383 -7.170 1.00 0.00 C ATOM 15 C ARG A 2 -11.442 13.866 -5.927 1.00 0.00 C ATOM 16 O ARG A 2 -11.054 15.018 -5.862 1.00 0.00 O ATOM 17 CB ARG A 2 -11.515 13.920 -8.426 1.00 0.00 C ATOM 18 CG ARG A 2 -12.154 13.297 -9.677 1.00 0.00 C ATOM 19 CD ARG A 2 -13.000 14.347 -10.403 1.00 0.00 C ATOM 20 NE ARG A 2 -12.146 15.522 -10.735 1.00 0.00 N ATOM 21 CZ ARG A 2 -12.688 16.617 -11.193 1.00 0.00 C ATOM 22 NH1 ARG A 2 -13.122 17.527 -10.365 1.00 0.00 N ATOM 23 NH2 ARG A 2 -12.791 16.804 -12.482 1.00 0.00 N ATOM 0 H ARG A 2 -13.722 14.864 -7.414 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.214 12.293 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.602 15.006 -8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.451 13.687 -8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.379 12.918 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.776 12.447 -9.395 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.425 13.923 -11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.835 14.656 -9.775 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.136 15.470 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.038 17.383 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.546 18.383 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.448 16.094 -13.129 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.215 17.660 -12.841 1.00 0.00 H new ATOM 37 N PRO A 3 -11.250 12.974 -4.978 1.00 0.00 N ATOM 38 CA PRO A 3 -10.521 13.394 -3.757 1.00 0.00 C ATOM 39 C PRO A 3 -9.030 13.564 -4.060 1.00 0.00 C ATOM 40 O PRO A 3 -8.511 13.000 -5.005 1.00 0.00 O ATOM 41 CB PRO A 3 -10.743 12.258 -2.758 1.00 0.00 C ATOM 42 CG PRO A 3 -11.082 11.011 -3.592 1.00 0.00 C ATOM 43 CD PRO A 3 -11.539 11.514 -4.970 1.00 0.00 C ATOM 0 HA PRO A 3 -10.873 14.351 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.851 12.091 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.554 12.498 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.213 10.360 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.868 10.427 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.004 11.004 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.601 11.324 -5.125 1.00 0.00 H new ATOM 51 N ALA A 4 -8.342 14.341 -3.264 1.00 0.00 N ATOM 52 CA ALA A 4 -6.885 14.561 -3.495 1.00 0.00 C ATOM 53 C ALA A 4 -6.112 13.258 -3.274 1.00 0.00 C ATOM 54 O ALA A 4 -5.012 13.098 -3.768 1.00 0.00 O ATOM 55 CB ALA A 4 -6.373 15.622 -2.521 1.00 0.00 C ATOM 0 H ALA A 4 -8.730 14.835 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.735 14.895 -4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.308 15.785 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.913 16.555 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.533 15.283 -1.497 1.00 0.00 H new ATOM 61 N PHE A 5 -6.666 12.330 -2.531 1.00 0.00 N ATOM 62 CA PHE A 5 -5.949 11.045 -2.280 1.00 0.00 C ATOM 63 C PHE A 5 -5.839 10.252 -3.590 1.00 0.00 C ATOM 64 O PHE A 5 -4.753 9.955 -4.062 1.00 0.00 O ATOM 65 CB PHE A 5 -6.719 10.223 -1.238 1.00 0.00 C ATOM 66 CG PHE A 5 -5.964 8.949 -0.934 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.789 8.995 -0.174 1.00 0.00 C ATOM 68 CD2 PHE A 5 -6.436 7.724 -1.419 1.00 0.00 C ATOM 69 CE1 PHE A 5 -4.087 7.815 0.100 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.735 6.545 -1.145 1.00 0.00 C ATOM 71 CZ PHE A 5 -4.561 6.590 -0.386 1.00 0.00 C ATOM 0 H PHE A 5 -7.582 12.409 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.948 11.255 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.850 10.806 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.715 9.986 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.424 9.940 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.342 7.689 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.180 7.849 0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.100 5.600 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.020 5.680 -0.175 1.00 0.00 H new ATOM 81 N VAL A 6 -6.957 9.906 -4.181 1.00 0.00 N ATOM 82 CA VAL A 6 -6.932 9.130 -5.458 1.00 0.00 C ATOM 83 C VAL A 6 -6.188 9.933 -6.530 1.00 0.00 C ATOM 84 O VAL A 6 -5.520 9.377 -7.381 1.00 0.00 O ATOM 85 CB VAL A 6 -8.370 8.862 -5.916 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.361 7.988 -7.176 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.135 8.142 -4.797 1.00 0.00 C ATOM 0 H VAL A 6 -7.889 10.129 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.419 8.181 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.859 9.810 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.386 7.801 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.820 8.501 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.871 7.039 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.158 7.950 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.643 7.196 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.148 8.767 -3.904 1.00 0.00 H new ATOM 97 N ASN A 7 -6.299 11.234 -6.485 1.00 0.00 N ATOM 98 CA ASN A 7 -5.603 12.084 -7.492 1.00 0.00 C ATOM 99 C ASN A 7 -4.088 11.953 -7.308 1.00 0.00 C ATOM 100 O ASN A 7 -3.333 12.024 -8.259 1.00 0.00 O ATOM 101 CB ASN A 7 -6.027 13.543 -7.301 1.00 0.00 C ATOM 102 CG ASN A 7 -7.402 13.773 -7.943 1.00 0.00 C ATOM 103 OD1 ASN A 7 -7.980 12.873 -8.523 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.953 14.952 -7.864 1.00 0.00 N ATOM 0 H ASN A 7 -6.844 11.746 -5.791 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.871 11.760 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.067 13.784 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.290 14.208 -7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.866 15.118 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.471 15.709 -7.378 1.00 0.00 H new ATOM 111 N LYS A 8 -3.640 11.758 -6.091 1.00 0.00 N ATOM 112 CA LYS A 8 -2.175 11.616 -5.838 1.00 0.00 C ATOM 113 C LYS A 8 -1.698 10.242 -6.346 1.00 0.00 C ATOM 114 O LYS A 8 -0.552 10.071 -6.710 1.00 0.00 O ATOM 115 CB LYS A 8 -1.896 11.800 -4.319 1.00 0.00 C ATOM 116 CG LYS A 8 -1.784 10.450 -3.575 1.00 0.00 C ATOM 117 CD LYS A 8 -2.127 10.629 -2.094 1.00 0.00 C ATOM 118 CE LYS A 8 -1.391 9.572 -1.263 1.00 0.00 C ATOM 119 NZ LYS A 8 -1.638 8.210 -1.829 1.00 0.00 N ATOM 0 H LYS A 8 -4.229 11.691 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.619 12.383 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.972 12.363 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.696 12.392 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.458 9.722 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.773 10.054 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.844 11.628 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.203 10.538 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.322 9.783 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.730 9.611 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.311 7.699 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.033 8.299 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.742 7.684 -1.871 1.00 0.00 H new ATOM 133 N LEU A 9 -2.572 9.267 -6.344 1.00 0.00 N ATOM 134 CA LEU A 9 -2.183 7.900 -6.804 1.00 0.00 C ATOM 135 C LEU A 9 -1.844 7.923 -8.299 1.00 0.00 C ATOM 136 O LEU A 9 -0.961 7.221 -8.751 1.00 0.00 O ATOM 137 CB LEU A 9 -3.347 6.937 -6.561 1.00 0.00 C ATOM 138 CG LEU A 9 -2.833 5.497 -6.567 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.077 5.216 -5.266 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.021 4.537 -6.685 1.00 0.00 C ATOM 0 H LEU A 9 -3.542 9.360 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.306 7.570 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.823 7.160 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.106 7.066 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.160 5.354 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.711 4.189 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.233 5.901 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.747 5.358 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.659 3.509 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.691 4.682 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.559 4.736 -7.612 1.00 0.00 H new ATOM 152 N TRP A 10 -2.543 8.718 -9.071 1.00 0.00 N ATOM 153 CA TRP A 10 -2.261 8.777 -10.544 1.00 0.00 C ATOM 154 C TRP A 10 -1.025 9.648 -10.830 1.00 0.00 C ATOM 155 O TRP A 10 -0.649 9.828 -11.973 1.00 0.00 O ATOM 156 CB TRP A 10 -3.466 9.373 -11.287 1.00 0.00 C ATOM 157 CG TRP A 10 -4.747 8.766 -10.798 1.00 0.00 C ATOM 158 CD1 TRP A 10 -5.885 9.459 -10.568 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.046 7.372 -10.479 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.862 8.585 -10.129 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.396 7.289 -10.057 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.291 6.182 -10.512 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -6.974 6.075 -9.683 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -4.872 4.960 -10.135 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.209 4.907 -9.721 1.00 0.00 C ATOM 0 H TRP A 10 -3.295 9.328 -8.749 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.073 7.761 -10.890 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.491 10.453 -11.141 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.361 9.199 -12.358 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.010 10.523 -10.705 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.813 8.865 -9.888 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.259 6.210 -10.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.006 6.039 -9.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.284 4.055 -10.165 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.648 3.964 -9.431 1.00 0.00 H new ATOM 176 N SER A 11 -0.394 10.196 -9.816 1.00 0.00 N ATOM 177 CA SER A 11 0.805 11.056 -10.051 1.00 0.00 C ATOM 178 C SER A 11 2.081 10.284 -9.697 1.00 0.00 C ATOM 179 O SER A 11 3.085 10.385 -10.376 1.00 0.00 O ATOM 180 CB SER A 11 0.710 12.309 -9.179 1.00 0.00 C ATOM 181 OG SER A 11 -0.659 12.627 -8.962 1.00 0.00 O ATOM 0 H SER A 11 -0.660 10.083 -8.838 1.00 0.00 H new ATOM 0 HA SER A 11 0.840 11.341 -11.102 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.212 12.142 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.217 13.143 -9.664 1.00 0.00 H new ATOM 0 HG SER A 11 -0.724 13.429 -8.402 1.00 0.00 H new ATOM 187 N MET A 12 2.050 9.522 -8.634 1.00 0.00 N ATOM 188 CA MET A 12 3.261 8.745 -8.225 1.00 0.00 C ATOM 189 C MET A 12 3.289 7.400 -8.961 1.00 0.00 C ATOM 190 O MET A 12 4.342 6.841 -9.199 1.00 0.00 O ATOM 191 CB MET A 12 3.230 8.506 -6.711 1.00 0.00 C ATOM 192 CG MET A 12 1.953 7.744 -6.320 1.00 0.00 C ATOM 193 SD MET A 12 2.357 6.023 -5.921 1.00 0.00 S ATOM 194 CE MET A 12 1.852 6.069 -4.183 1.00 0.00 C ATOM 0 H MET A 12 1.237 9.403 -8.030 1.00 0.00 H new ATOM 0 HA MET A 12 4.156 9.311 -8.483 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.109 7.937 -6.407 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.269 9.459 -6.184 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.481 8.224 -5.462 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.234 7.777 -7.139 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.984 5.082 -3.739 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.464 6.793 -3.645 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.803 6.359 -4.116 1.00 0.00 H new ATOM 204 N VAL A 13 2.143 6.879 -9.321 1.00 0.00 N ATOM 205 CA VAL A 13 2.112 5.569 -10.042 1.00 0.00 C ATOM 206 C VAL A 13 2.283 5.788 -11.553 1.00 0.00 C ATOM 207 O VAL A 13 2.381 4.838 -12.307 1.00 0.00 O ATOM 208 CB VAL A 13 0.784 4.851 -9.775 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.887 3.399 -10.248 1.00 0.00 C ATOM 210 CG2 VAL A 13 0.485 4.856 -8.274 1.00 0.00 C ATOM 0 H VAL A 13 1.231 7.302 -9.148 1.00 0.00 H new ATOM 0 HA VAL A 13 2.934 4.953 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.013 5.366 -10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.056 2.887 -10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.103 3.379 -11.316 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.688 2.896 -9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.460 4.345 -8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.286 4.342 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.416 5.885 -7.920 1.00 0.00 H new ATOM 220 N ASN A 14 2.340 7.023 -12.008 1.00 0.00 N ATOM 221 CA ASN A 14 2.524 7.269 -13.471 1.00 0.00 C ATOM 222 C ASN A 14 3.909 6.769 -13.917 1.00 0.00 C ATOM 223 O ASN A 14 4.174 6.650 -15.097 1.00 0.00 O ATOM 224 CB ASN A 14 2.398 8.769 -13.766 1.00 0.00 C ATOM 225 CG ASN A 14 3.434 9.557 -12.955 1.00 0.00 C ATOM 226 OD1 ASN A 14 4.258 8.984 -12.268 1.00 0.00 O ATOM 227 ND2 ASN A 14 3.425 10.860 -13.008 1.00 0.00 N ATOM 0 H ASN A 14 2.267 7.861 -11.431 1.00 0.00 H new ATOM 0 HA ASN A 14 1.754 6.728 -14.021 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.544 8.951 -14.831 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.394 9.113 -13.518 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.108 11.397 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.735 11.342 -13.584 1.00 0.00 H new ATOM 234 N ASP A 15 4.793 6.476 -12.985 1.00 0.00 N ATOM 235 CA ASP A 15 6.156 5.981 -13.345 1.00 0.00 C ATOM 236 C ASP A 15 6.931 7.073 -14.086 1.00 0.00 C ATOM 237 O ASP A 15 7.506 6.838 -15.131 1.00 0.00 O ATOM 238 CB ASP A 15 6.048 4.727 -14.224 1.00 0.00 C ATOM 239 CG ASP A 15 5.155 3.697 -13.531 1.00 0.00 C ATOM 240 OD1 ASP A 15 5.458 3.344 -12.403 1.00 0.00 O ATOM 241 OD2 ASP A 15 4.184 3.279 -14.138 1.00 0.00 O ATOM 0 H ASP A 15 4.621 6.561 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 15 6.690 5.725 -12.430 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.634 4.987 -15.198 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.038 4.306 -14.400 1.00 0.00 H new ATOM 246 N LYS A 16 6.957 8.267 -13.548 1.00 0.00 N ATOM 247 CA LYS A 16 7.714 9.369 -14.209 1.00 0.00 C ATOM 248 C LYS A 16 9.129 9.436 -13.618 1.00 0.00 C ATOM 249 O LYS A 16 10.100 9.101 -14.270 1.00 0.00 O ATOM 250 CB LYS A 16 6.989 10.702 -13.997 1.00 0.00 C ATOM 251 CG LYS A 16 7.648 11.786 -14.855 1.00 0.00 C ATOM 252 CD LYS A 16 6.894 11.916 -16.183 1.00 0.00 C ATOM 253 CE LYS A 16 7.786 12.602 -17.224 1.00 0.00 C ATOM 254 NZ LYS A 16 8.242 11.600 -18.230 1.00 0.00 N ATOM 0 H LYS A 16 6.486 8.524 -12.680 1.00 0.00 H new ATOM 0 HA LYS A 16 7.779 9.175 -15.280 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.937 10.602 -14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.025 10.984 -12.945 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.640 12.739 -14.325 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.692 11.533 -15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.596 10.930 -16.540 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.980 12.492 -16.038 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.236 13.403 -17.717 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.646 13.060 -16.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.847 12.067 -18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.782 10.850 -17.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.416 11.183 -18.704 1.00 0.00 H new ATOM 268 N SER A 17 9.245 9.859 -12.381 1.00 0.00 N ATOM 269 CA SER A 17 10.585 9.944 -11.727 1.00 0.00 C ATOM 270 C SER A 17 10.900 8.605 -11.057 1.00 0.00 C ATOM 271 O SER A 17 12.046 8.210 -10.941 1.00 0.00 O ATOM 272 CB SER A 17 10.571 11.054 -10.675 1.00 0.00 C ATOM 273 OG SER A 17 9.447 10.881 -9.824 1.00 0.00 O ATOM 0 H SER A 17 8.462 10.150 -11.795 1.00 0.00 H new ATOM 0 HA SER A 17 11.346 10.168 -12.474 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.491 11.029 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.528 12.029 -11.160 1.00 0.00 H new ATOM 0 HG SER A 17 9.436 11.590 -9.148 1.00 0.00 H new ATOM 279 N ASN A 18 9.885 7.897 -10.629 1.00 0.00 N ATOM 280 CA ASN A 18 10.100 6.569 -9.981 1.00 0.00 C ATOM 281 C ASN A 18 9.862 5.474 -11.024 1.00 0.00 C ATOM 282 O ASN A 18 9.343 4.419 -10.718 1.00 0.00 O ATOM 283 CB ASN A 18 9.109 6.389 -8.821 1.00 0.00 C ATOM 284 CG ASN A 18 7.688 6.696 -9.303 1.00 0.00 C ATOM 285 OD1 ASN A 18 7.083 5.901 -9.994 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.125 7.827 -8.967 1.00 0.00 N ATOM 0 H ASN A 18 8.909 8.185 -10.702 1.00 0.00 H new ATOM 0 HA ASN A 18 11.117 6.508 -9.593 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.162 5.369 -8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.375 7.051 -7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.180 8.040 -9.285 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.631 8.496 -8.387 1.00 0.00 H new ATOM 293 N GLU A 19 10.227 5.737 -12.256 1.00 0.00 N ATOM 294 CA GLU A 19 10.022 4.745 -13.358 1.00 0.00 C ATOM 295 C GLU A 19 10.949 3.535 -13.175 1.00 0.00 C ATOM 296 O GLU A 19 11.998 3.449 -13.779 1.00 0.00 O ATOM 297 CB GLU A 19 10.318 5.436 -14.701 1.00 0.00 C ATOM 298 CG GLU A 19 11.688 6.127 -14.656 1.00 0.00 C ATOM 299 CD GLU A 19 12.287 6.164 -16.063 1.00 0.00 C ATOM 300 OE1 GLU A 19 12.363 5.117 -16.683 1.00 0.00 O ATOM 301 OE2 GLU A 19 12.659 7.242 -16.499 1.00 0.00 O ATOM 0 H GLU A 19 10.665 6.611 -12.548 1.00 0.00 H new ATOM 0 HA GLU A 19 8.992 4.388 -13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.300 4.702 -15.507 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.541 6.169 -14.920 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.584 7.140 -14.267 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.355 5.593 -13.979 1.00 0.00 H new ATOM 308 N LYS A 20 10.555 2.590 -12.351 1.00 0.00 N ATOM 309 CA LYS A 20 11.387 1.364 -12.109 1.00 0.00 C ATOM 310 C LYS A 20 10.854 0.633 -10.875 1.00 0.00 C ATOM 311 O LYS A 20 10.949 -0.575 -10.772 1.00 0.00 O ATOM 312 CB LYS A 20 12.861 1.728 -11.849 1.00 0.00 C ATOM 313 CG LYS A 20 12.947 2.893 -10.854 1.00 0.00 C ATOM 314 CD LYS A 20 14.409 3.114 -10.434 1.00 0.00 C ATOM 315 CE LYS A 20 14.834 4.550 -10.760 1.00 0.00 C ATOM 316 NZ LYS A 20 14.726 4.780 -12.229 1.00 0.00 N ATOM 0 H LYS A 20 9.679 2.617 -11.828 1.00 0.00 H new ATOM 0 HA LYS A 20 11.328 0.736 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.394 0.863 -11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.347 2.002 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.548 3.800 -11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.336 2.680 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.522 2.925 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.056 2.407 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.203 5.258 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.858 4.721 -10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.545 5.332 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.706 3.865 -12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.852 5.304 -12.435 1.00 0.00 H new ATOM 330 N PHE A 21 10.308 1.362 -9.929 1.00 0.00 N ATOM 331 CA PHE A 21 9.785 0.715 -8.688 1.00 0.00 C ATOM 332 C PHE A 21 8.343 0.230 -8.908 1.00 0.00 C ATOM 333 O PHE A 21 8.117 -0.924 -9.224 1.00 0.00 O ATOM 334 CB PHE A 21 9.831 1.717 -7.529 1.00 0.00 C ATOM 335 CG PHE A 21 11.263 2.067 -7.210 1.00 0.00 C ATOM 336 CD1 PHE A 21 12.185 1.058 -6.910 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.666 3.407 -7.213 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.511 1.391 -6.611 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.991 3.740 -6.915 1.00 0.00 C ATOM 340 CZ PHE A 21 13.915 2.732 -6.614 1.00 0.00 C ATOM 0 H PHE A 21 10.203 2.376 -9.965 1.00 0.00 H new ATOM 0 HA PHE A 21 10.408 -0.146 -8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.277 2.618 -7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.347 1.292 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.874 0.024 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.953 4.184 -7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.223 0.613 -6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.302 4.774 -6.917 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.939 2.988 -6.384 1.00 0.00 H new ATOM 350 N ILE A 22 7.366 1.094 -8.743 1.00 0.00 N ATOM 351 CA ILE A 22 5.947 0.673 -8.942 1.00 0.00 C ATOM 352 C ILE A 22 5.655 0.581 -10.442 1.00 0.00 C ATOM 353 O ILE A 22 6.390 1.113 -11.255 1.00 0.00 O ATOM 354 CB ILE A 22 5.010 1.696 -8.276 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.560 1.224 -8.412 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.160 3.071 -8.940 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.688 1.922 -7.364 1.00 0.00 C ATOM 0 H ILE A 22 7.494 2.071 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 22 5.781 -0.303 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 22 5.276 1.781 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.188 1.444 -9.413 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.506 0.143 -8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.491 3.783 -8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.190 3.414 -8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.907 2.994 -9.997 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.657 1.583 -7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.054 1.680 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.732 3.001 -7.514 1.00 0.00 H new ATOM 369 N HIS A 23 4.595 -0.090 -10.816 1.00 0.00 N ATOM 370 CA HIS A 23 4.267 -0.216 -12.264 1.00 0.00 C ATOM 371 C HIS A 23 2.819 -0.684 -12.439 1.00 0.00 C ATOM 372 O HIS A 23 2.274 -1.399 -11.612 1.00 0.00 O ATOM 373 CB HIS A 23 5.214 -1.229 -12.909 1.00 0.00 C ATOM 374 CG HIS A 23 5.152 -1.095 -14.406 1.00 0.00 C ATOM 375 ND1 HIS A 23 5.584 0.043 -15.068 1.00 0.00 N ATOM 376 CD2 HIS A 23 4.710 -1.953 -15.382 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.394 -0.157 -16.385 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.863 -1.359 -16.631 1.00 0.00 N ATOM 0 H HIS A 23 3.945 -0.554 -10.181 1.00 0.00 H new ATOM 0 HA HIS A 23 4.384 0.756 -12.744 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.233 -1.062 -12.561 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.937 -2.241 -12.612 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.305 -2.939 -15.207 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.640 0.565 -17.150 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.622 -1.756 -17.539 1.00 0.00 H new ATOM 386 N TRP A 24 2.200 -0.282 -13.521 1.00 0.00 N ATOM 387 CA TRP A 24 0.791 -0.687 -13.789 1.00 0.00 C ATOM 388 C TRP A 24 0.761 -2.166 -14.175 1.00 0.00 C ATOM 389 O TRP A 24 1.741 -2.711 -14.647 1.00 0.00 O ATOM 390 CB TRP A 24 0.234 0.137 -14.961 1.00 0.00 C ATOM 391 CG TRP A 24 -0.119 1.542 -14.544 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.158 2.125 -13.348 1.00 0.00 C ATOM 393 CD2 TRP A 24 -0.815 2.554 -15.332 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.327 3.422 -13.359 1.00 0.00 N ATOM 395 CE2 TRP A 24 -0.933 3.732 -14.558 1.00 0.00 C ATOM 396 CE3 TRP A 24 -1.349 2.560 -16.633 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -1.559 4.875 -15.057 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -1.980 3.708 -17.139 1.00 0.00 C ATOM 399 CH2 TRP A 24 -2.084 4.864 -16.352 1.00 0.00 C ATOM 0 H TRP A 24 2.617 0.315 -14.235 1.00 0.00 H new ATOM 0 HA TRP A 24 0.189 -0.516 -12.897 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.971 0.171 -15.763 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -0.652 -0.356 -15.362 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.672 1.654 -12.524 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.246 4.070 -12.575 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.273 1.675 -17.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.637 5.762 -14.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.387 3.701 -18.139 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.569 5.745 -16.746 1.00 0.00 H new ATOM 410 N SER A 25 -0.360 -2.811 -13.993 1.00 0.00 N ATOM 411 CA SER A 25 -0.465 -4.251 -14.365 1.00 0.00 C ATOM 412 C SER A 25 -0.857 -4.349 -15.841 1.00 0.00 C ATOM 413 O SER A 25 -0.754 -3.385 -16.578 1.00 0.00 O ATOM 414 CB SER A 25 -1.531 -4.923 -13.501 1.00 0.00 C ATOM 415 OG SER A 25 -1.192 -6.291 -13.312 1.00 0.00 O ATOM 0 H SER A 25 -1.209 -2.402 -13.602 1.00 0.00 H new ATOM 0 HA SER A 25 0.490 -4.750 -14.203 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.605 -4.419 -12.537 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.507 -4.841 -13.979 1.00 0.00 H new ATOM 0 HG SER A 25 -1.874 -6.723 -12.756 1.00 0.00 H new ATOM 421 N THR A 26 -1.303 -5.498 -16.278 1.00 0.00 N ATOM 422 CA THR A 26 -1.702 -5.650 -17.708 1.00 0.00 C ATOM 423 C THR A 26 -2.983 -4.851 -17.968 1.00 0.00 C ATOM 424 O THR A 26 -3.216 -4.381 -19.065 1.00 0.00 O ATOM 425 CB THR A 26 -1.946 -7.128 -18.023 1.00 0.00 C ATOM 426 OG1 THR A 26 -0.797 -7.882 -17.662 1.00 0.00 O ATOM 427 CG2 THR A 26 -2.219 -7.295 -19.520 1.00 0.00 C ATOM 0 H THR A 26 -1.408 -6.337 -15.707 1.00 0.00 H new ATOM 0 HA THR A 26 -0.903 -5.275 -18.347 1.00 0.00 H new ATOM 0 HB THR A 26 -2.808 -7.483 -17.458 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.951 -8.829 -17.861 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.393 -8.348 -19.743 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.100 -6.716 -19.796 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.359 -6.941 -20.088 1.00 0.00 H new ATOM 435 N SER A 27 -3.813 -4.696 -16.966 1.00 0.00 N ATOM 436 CA SER A 27 -5.080 -3.929 -17.152 1.00 0.00 C ATOM 437 C SER A 27 -4.800 -2.434 -16.990 1.00 0.00 C ATOM 438 O SER A 27 -5.174 -1.633 -17.825 1.00 0.00 O ATOM 439 CB SER A 27 -6.105 -4.375 -16.109 1.00 0.00 C ATOM 440 OG SER A 27 -5.710 -3.904 -14.828 1.00 0.00 O ATOM 0 H SER A 27 -3.666 -5.068 -16.028 1.00 0.00 H new ATOM 0 HA SER A 27 -5.475 -4.117 -18.150 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.091 -3.987 -16.363 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.183 -5.462 -16.101 1.00 0.00 H new ATOM 0 HG SER A 27 -6.367 -4.188 -14.158 1.00 0.00 H new ATOM 446 N GLY A 28 -4.145 -2.054 -15.921 1.00 0.00 N ATOM 447 CA GLY A 28 -3.837 -0.610 -15.699 1.00 0.00 C ATOM 448 C GLY A 28 -4.376 -0.174 -14.334 1.00 0.00 C ATOM 449 O GLY A 28 -3.718 0.535 -13.597 1.00 0.00 O ATOM 0 H GLY A 28 -3.810 -2.684 -15.192 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.760 -0.446 -15.745 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.286 -0.007 -16.488 1.00 0.00 H new ATOM 453 N GLU A 29 -5.569 -0.595 -13.995 1.00 0.00 N ATOM 454 CA GLU A 29 -6.161 -0.211 -12.679 1.00 0.00 C ATOM 455 C GLU A 29 -5.457 -0.974 -11.551 1.00 0.00 C ATOM 456 O GLU A 29 -5.412 -0.522 -10.423 1.00 0.00 O ATOM 457 CB GLU A 29 -7.653 -0.556 -12.671 1.00 0.00 C ATOM 458 CG GLU A 29 -8.469 0.680 -13.059 1.00 0.00 C ATOM 459 CD GLU A 29 -9.717 0.246 -13.830 1.00 0.00 C ATOM 460 OE1 GLU A 29 -10.478 -0.543 -13.292 1.00 0.00 O ATOM 461 OE2 GLU A 29 -9.892 0.710 -14.944 1.00 0.00 O ATOM 0 H GLU A 29 -6.160 -1.190 -14.576 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.031 0.860 -12.526 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.852 -1.369 -13.369 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.950 -0.905 -11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.755 1.235 -12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.865 1.350 -13.671 1.00 0.00 H new ATOM 468 N SER A 30 -4.915 -2.130 -11.848 1.00 0.00 N ATOM 469 CA SER A 30 -4.222 -2.931 -10.796 1.00 0.00 C ATOM 470 C SER A 30 -2.783 -2.433 -10.627 1.00 0.00 C ATOM 471 O SER A 30 -2.144 -2.014 -11.574 1.00 0.00 O ATOM 472 CB SER A 30 -4.210 -4.402 -11.210 1.00 0.00 C ATOM 473 OG SER A 30 -3.918 -5.208 -10.076 1.00 0.00 O ATOM 0 H SER A 30 -4.924 -2.553 -12.776 1.00 0.00 H new ATOM 0 HA SER A 30 -4.750 -2.821 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.176 -4.681 -11.630 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.465 -4.566 -11.989 1.00 0.00 H new ATOM 0 HG SER A 30 -4.451 -4.903 -9.312 1.00 0.00 H new ATOM 479 N ILE A 31 -2.274 -2.477 -9.421 1.00 0.00 N ATOM 480 CA ILE A 31 -0.878 -2.008 -9.168 1.00 0.00 C ATOM 481 C ILE A 31 -0.041 -3.171 -8.627 1.00 0.00 C ATOM 482 O ILE A 31 -0.492 -3.922 -7.784 1.00 0.00 O ATOM 483 CB ILE A 31 -0.909 -0.879 -8.133 1.00 0.00 C ATOM 484 CG1 ILE A 31 -1.851 0.226 -8.614 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.498 -0.304 -7.954 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.215 1.133 -7.438 1.00 0.00 C ATOM 0 H ILE A 31 -2.768 -2.819 -8.597 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.437 -1.645 -10.096 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.262 -1.273 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.373 0.808 -9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.753 -0.211 -9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.472 0.499 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.171 -1.090 -7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.854 0.089 -8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.886 1.921 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.710 0.545 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.309 1.581 -7.030 1.00 0.00 H new ATOM 498 N VAL A 32 1.174 -3.326 -9.100 1.00 0.00 N ATOM 499 CA VAL A 32 2.030 -4.447 -8.599 1.00 0.00 C ATOM 500 C VAL A 32 3.290 -3.883 -7.936 1.00 0.00 C ATOM 501 O VAL A 32 3.877 -2.928 -8.408 1.00 0.00 O ATOM 502 CB VAL A 32 2.429 -5.357 -9.766 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.217 -6.562 -9.236 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.168 -5.852 -10.479 1.00 0.00 C ATOM 0 H VAL A 32 1.606 -2.729 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 32 1.466 -5.025 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 32 3.050 -4.796 -10.464 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.499 -7.207 -10.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.115 -6.214 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.597 -7.123 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.450 -6.499 -11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.549 -6.411 -9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.606 -4.999 -10.859 1.00 0.00 H new ATOM 514 N VAL A 33 3.708 -4.478 -6.848 1.00 0.00 N ATOM 515 CA VAL A 33 4.934 -3.996 -6.145 1.00 0.00 C ATOM 516 C VAL A 33 6.005 -5.095 -6.190 1.00 0.00 C ATOM 517 O VAL A 33 6.016 -5.971 -5.344 1.00 0.00 O ATOM 518 CB VAL A 33 4.599 -3.669 -4.684 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.840 -3.098 -3.984 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.459 -2.640 -4.634 1.00 0.00 C ATOM 0 H VAL A 33 3.251 -5.280 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 33 5.306 -3.097 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 33 4.286 -4.580 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.598 -2.867 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.645 -3.832 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.159 -2.189 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.223 -2.409 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.768 -1.729 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.576 -3.051 -5.124 1.00 0.00 H new ATOM 530 N PRO A 34 6.875 -5.016 -7.174 1.00 0.00 N ATOM 531 CA PRO A 34 7.931 -6.051 -7.261 1.00 0.00 C ATOM 532 C PRO A 34 8.916 -5.891 -6.098 1.00 0.00 C ATOM 533 O PRO A 34 9.527 -6.846 -5.656 1.00 0.00 O ATOM 534 CB PRO A 34 8.623 -5.791 -8.600 1.00 0.00 C ATOM 535 CG PRO A 34 8.342 -4.321 -8.952 1.00 0.00 C ATOM 536 CD PRO A 34 7.121 -3.896 -8.123 1.00 0.00 C ATOM 0 HA PRO A 34 7.533 -7.064 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.695 -5.975 -8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.238 -6.456 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.204 -3.696 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.144 -4.209 -10.018 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.314 -2.965 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.254 -3.725 -8.761 1.00 0.00 H new ATOM 544 N ASN A 35 9.065 -4.690 -5.600 1.00 0.00 N ATOM 545 CA ASN A 35 9.998 -4.452 -4.461 1.00 0.00 C ATOM 546 C ASN A 35 9.305 -3.566 -3.423 1.00 0.00 C ATOM 547 O ASN A 35 9.382 -2.353 -3.484 1.00 0.00 O ATOM 548 CB ASN A 35 11.254 -3.741 -4.971 1.00 0.00 C ATOM 549 CG ASN A 35 12.203 -4.755 -5.614 1.00 0.00 C ATOM 550 OD1 ASN A 35 11.801 -5.845 -5.971 1.00 0.00 O ATOM 551 ND2 ASN A 35 13.458 -4.436 -5.781 1.00 0.00 N ATOM 0 H ASN A 35 8.577 -3.860 -5.937 1.00 0.00 H new ATOM 0 HA ASN A 35 10.276 -5.405 -4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.980 -2.976 -5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.755 -3.233 -4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.100 -5.101 -6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.796 -3.521 -5.482 1.00 0.00 H new ATOM 558 N ARG A 36 8.624 -4.162 -2.475 1.00 0.00 N ATOM 559 CA ARG A 36 7.920 -3.353 -1.436 1.00 0.00 C ATOM 560 C ARG A 36 8.946 -2.686 -0.519 1.00 0.00 C ATOM 561 O ARG A 36 8.699 -1.631 0.037 1.00 0.00 O ATOM 562 CB ARG A 36 7.001 -4.260 -0.606 1.00 0.00 C ATOM 563 CG ARG A 36 7.797 -5.443 -0.030 1.00 0.00 C ATOM 564 CD ARG A 36 7.673 -5.464 1.498 1.00 0.00 C ATOM 565 NE ARG A 36 8.017 -4.122 2.047 1.00 0.00 N ATOM 566 CZ ARG A 36 7.207 -3.532 2.882 1.00 0.00 C ATOM 567 NH1 ARG A 36 5.919 -3.565 2.677 1.00 0.00 N ATOM 568 NH2 ARG A 36 7.686 -2.909 3.925 1.00 0.00 N ATOM 0 H ARG A 36 8.526 -5.173 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 36 7.321 -2.585 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.549 -3.688 0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.186 -4.630 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.425 -6.379 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.845 -5.361 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.658 -5.737 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.337 -6.220 1.916 1.00 0.00 H new ATOM 0 HE ARG A 36 8.886 -3.665 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.544 -4.053 1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.287 -3.103 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.693 -2.884 4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.053 -2.447 4.578 1.00 0.00 H new ATOM 582 N GLU A 37 10.098 -3.289 -0.358 1.00 0.00 N ATOM 583 CA GLU A 37 11.146 -2.691 0.520 1.00 0.00 C ATOM 584 C GLU A 37 12.075 -1.804 -0.317 1.00 0.00 C ATOM 585 O GLU A 37 13.286 -1.876 -0.209 1.00 0.00 O ATOM 586 CB GLU A 37 11.956 -3.808 1.187 1.00 0.00 C ATOM 587 CG GLU A 37 12.967 -3.194 2.158 1.00 0.00 C ATOM 588 CD GLU A 37 13.209 -4.157 3.321 1.00 0.00 C ATOM 589 OE1 GLU A 37 13.681 -5.254 3.069 1.00 0.00 O ATOM 590 OE2 GLU A 37 12.918 -3.782 4.445 1.00 0.00 O ATOM 0 H GLU A 37 10.357 -4.172 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 37 10.670 -2.084 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.290 -4.487 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.474 -4.398 0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.905 -2.988 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.594 -2.241 2.533 1.00 0.00 H new ATOM 597 N ARG A 38 11.518 -0.963 -1.144 1.00 0.00 N ATOM 598 CA ARG A 38 12.355 -0.065 -1.983 1.00 0.00 C ATOM 599 C ARG A 38 11.480 1.080 -2.482 1.00 0.00 C ATOM 600 O ARG A 38 11.836 2.239 -2.384 1.00 0.00 O ATOM 601 CB ARG A 38 12.917 -0.842 -3.177 1.00 0.00 C ATOM 602 CG ARG A 38 14.264 -0.241 -3.589 1.00 0.00 C ATOM 603 CD ARG A 38 15.356 -0.708 -2.622 1.00 0.00 C ATOM 604 NE ARG A 38 16.164 -1.783 -3.264 1.00 0.00 N ATOM 605 CZ ARG A 38 17.424 -1.921 -2.959 1.00 0.00 C ATOM 606 NH1 ARG A 38 17.763 -2.397 -1.791 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.346 -1.583 -3.820 1.00 0.00 N ATOM 0 H ARG A 38 10.512 -0.860 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 38 13.187 0.325 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.040 -1.893 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.218 -0.802 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.512 -0.544 -4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.204 0.847 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.998 0.130 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.906 -1.078 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 38 15.731 -2.411 -3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.042 -2.660 -1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.748 -2.506 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.080 -1.211 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.332 -1.691 -3.581 1.00 0.00 H new ATOM 621 N PHE A 39 10.323 0.756 -2.998 1.00 0.00 N ATOM 622 CA PHE A 39 9.389 1.807 -3.495 1.00 0.00 C ATOM 623 C PHE A 39 9.012 2.723 -2.319 1.00 0.00 C ATOM 624 O PHE A 39 9.036 3.932 -2.432 1.00 0.00 O ATOM 625 CB PHE A 39 8.137 1.115 -4.078 1.00 0.00 C ATOM 626 CG PHE A 39 6.973 2.083 -4.185 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.150 2.292 -3.072 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.722 2.760 -5.383 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.073 3.181 -3.157 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.644 3.649 -5.468 1.00 0.00 C ATOM 631 CZ PHE A 39 4.820 3.858 -4.356 1.00 0.00 C ATOM 0 H PHE A 39 9.983 -0.201 -3.097 1.00 0.00 H new ATOM 0 HA PHE A 39 9.854 2.410 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.368 0.710 -5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.856 0.273 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.346 1.767 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.358 2.597 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.438 3.345 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.448 4.174 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.988 4.543 -4.423 1.00 0.00 H new ATOM 641 N VAL A 40 8.662 2.148 -1.197 1.00 0.00 N ATOM 642 CA VAL A 40 8.276 2.973 -0.013 1.00 0.00 C ATOM 643 C VAL A 40 9.442 3.885 0.378 1.00 0.00 C ATOM 644 O VAL A 40 9.292 5.082 0.498 1.00 0.00 O ATOM 645 CB VAL A 40 7.947 2.053 1.174 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.485 2.893 2.370 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.834 1.076 0.788 1.00 0.00 C ATOM 0 H VAL A 40 8.627 1.139 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 40 7.403 3.574 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 40 8.843 1.494 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.253 2.236 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.278 3.583 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.595 3.458 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.608 0.429 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.940 1.634 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.160 0.468 -0.056 1.00 0.00 H new ATOM 657 N GLN A 41 10.590 3.309 0.593 1.00 0.00 N ATOM 658 CA GLN A 41 11.782 4.108 1.012 1.00 0.00 C ATOM 659 C GLN A 41 12.304 4.998 -0.124 1.00 0.00 C ATOM 660 O GLN A 41 13.199 5.797 0.088 1.00 0.00 O ATOM 661 CB GLN A 41 12.888 3.150 1.455 1.00 0.00 C ATOM 662 CG GLN A 41 12.464 2.454 2.750 1.00 0.00 C ATOM 663 CD GLN A 41 13.403 1.282 3.036 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.014 0.741 2.136 1.00 0.00 O ATOM 665 NE2 GLN A 41 13.543 0.862 4.264 1.00 0.00 N ATOM 0 H GLN A 41 10.759 2.308 0.496 1.00 0.00 H new ATOM 0 HA GLN A 41 11.483 4.760 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.078 2.411 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.818 3.697 1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.487 3.162 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.438 2.098 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.030 1.316 5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.165 0.080 4.468 1.00 0.00 H new ATOM 674 N GLU A 42 11.778 4.879 -1.321 1.00 0.00 N ATOM 675 CA GLU A 42 12.284 5.736 -2.438 1.00 0.00 C ATOM 676 C GLU A 42 11.123 6.317 -3.253 1.00 0.00 C ATOM 677 O GLU A 42 11.315 6.750 -4.374 1.00 0.00 O ATOM 678 CB GLU A 42 13.169 4.892 -3.360 1.00 0.00 C ATOM 679 CG GLU A 42 14.525 4.648 -2.692 1.00 0.00 C ATOM 680 CD GLU A 42 15.531 4.173 -3.742 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.520 4.716 -4.834 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.295 3.272 -3.435 1.00 0.00 O ATOM 0 H GLU A 42 11.029 4.233 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 42 12.856 6.559 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.683 3.941 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.309 5.402 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.880 5.564 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.425 3.902 -1.904 1.00 0.00 H new ATOM 689 N VAL A 43 9.923 6.334 -2.716 1.00 0.00 N ATOM 690 CA VAL A 43 8.771 6.892 -3.498 1.00 0.00 C ATOM 691 C VAL A 43 7.694 7.481 -2.576 1.00 0.00 C ATOM 692 O VAL A 43 7.056 8.457 -2.926 1.00 0.00 O ATOM 693 CB VAL A 43 8.137 5.790 -4.358 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.121 6.417 -5.313 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.219 5.075 -5.172 1.00 0.00 C ATOM 0 H VAL A 43 9.694 5.991 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 43 9.162 7.688 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 43 7.641 5.069 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.668 5.637 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.345 6.923 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.624 7.138 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.761 4.294 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.720 5.793 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.947 4.628 -4.495 1.00 0.00 H new ATOM 705 N LEU A 44 7.456 6.894 -1.425 1.00 0.00 N ATOM 706 CA LEU A 44 6.386 7.431 -0.531 1.00 0.00 C ATOM 707 C LEU A 44 6.796 8.784 0.068 1.00 0.00 C ATOM 708 O LEU A 44 6.033 9.727 -0.006 1.00 0.00 O ATOM 709 CB LEU A 44 6.074 6.432 0.586 1.00 0.00 C ATOM 710 CG LEU A 44 4.761 6.826 1.267 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.604 6.749 0.267 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.488 5.871 2.425 1.00 0.00 C ATOM 0 H LEU A 44 7.952 6.076 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 44 5.489 7.582 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.997 5.425 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.885 6.419 1.314 1.00 0.00 H new ATOM 0 HG LEU A 44 4.845 7.848 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.675 7.031 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.794 7.430 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.518 5.731 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.554 6.148 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.411 4.852 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.304 5.929 3.145 1.00 0.00 H new ATOM 724 N PRO A 45 7.977 8.847 0.646 1.00 0.00 N ATOM 725 CA PRO A 45 8.397 10.146 1.233 1.00 0.00 C ATOM 726 C PRO A 45 8.750 11.158 0.134 1.00 0.00 C ATOM 727 O PRO A 45 8.921 12.333 0.404 1.00 0.00 O ATOM 728 CB PRO A 45 9.633 9.819 2.069 1.00 0.00 C ATOM 729 CG PRO A 45 10.208 8.519 1.487 1.00 0.00 C ATOM 730 CD PRO A 45 9.049 7.823 0.759 1.00 0.00 C ATOM 0 HA PRO A 45 7.601 10.597 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.364 10.626 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.371 9.693 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.028 8.730 0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.609 7.883 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.359 7.470 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.703 6.952 1.316 1.00 0.00 H new ATOM 738 N LYS A 46 8.867 10.718 -1.097 1.00 0.00 N ATOM 739 CA LYS A 46 9.218 11.659 -2.203 1.00 0.00 C ATOM 740 C LYS A 46 8.040 12.601 -2.477 1.00 0.00 C ATOM 741 O LYS A 46 8.228 13.748 -2.838 1.00 0.00 O ATOM 742 CB LYS A 46 9.538 10.855 -3.467 1.00 0.00 C ATOM 743 CG LYS A 46 10.674 11.536 -4.233 1.00 0.00 C ATOM 744 CD LYS A 46 11.233 10.573 -5.283 1.00 0.00 C ATOM 745 CE LYS A 46 12.326 11.274 -6.094 1.00 0.00 C ATOM 746 NZ LYS A 46 13.398 10.296 -6.430 1.00 0.00 N ATOM 0 H LYS A 46 8.734 9.747 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 46 10.087 12.250 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.824 9.837 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.652 10.782 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.309 12.443 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.463 11.836 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.639 9.686 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.434 10.237 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.904 11.695 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.742 12.104 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.141 10.771 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.807 9.915 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.995 9.518 -6.991 1.00 0.00 H new ATOM 760 N TYR A 47 6.831 12.125 -2.312 1.00 0.00 N ATOM 761 CA TYR A 47 5.637 12.990 -2.567 1.00 0.00 C ATOM 762 C TYR A 47 5.041 13.471 -1.238 1.00 0.00 C ATOM 763 O TYR A 47 4.399 14.502 -1.177 1.00 0.00 O ATOM 764 CB TYR A 47 4.579 12.186 -3.327 1.00 0.00 C ATOM 765 CG TYR A 47 5.038 11.950 -4.747 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.079 11.050 -5.006 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.418 12.628 -5.803 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.501 10.829 -6.322 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.841 12.407 -7.121 1.00 0.00 C ATOM 770 CZ TYR A 47 5.881 11.508 -7.379 1.00 0.00 C ATOM 771 OH TYR A 47 6.298 11.289 -8.677 1.00 0.00 O ATOM 0 H TYR A 47 6.619 11.174 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 47 5.945 13.853 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.406 11.233 -2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.631 12.723 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.556 10.527 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.614 13.321 -5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.304 10.135 -6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.364 12.930 -7.937 1.00 0.00 H new ATOM 0 HH TYR A 47 5.764 11.837 -9.289 1.00 0.00 H new ATOM 781 N PHE A 48 5.243 12.728 -0.178 1.00 0.00 N ATOM 782 CA PHE A 48 4.683 13.131 1.147 1.00 0.00 C ATOM 783 C PHE A 48 5.782 13.029 2.210 1.00 0.00 C ATOM 784 O PHE A 48 6.953 12.954 1.892 1.00 0.00 O ATOM 785 CB PHE A 48 3.520 12.200 1.522 1.00 0.00 C ATOM 786 CG PHE A 48 2.526 12.131 0.385 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.819 11.377 -0.759 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.308 12.818 0.476 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.897 11.312 -1.810 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.387 12.752 -0.576 1.00 0.00 C ATOM 791 CZ PHE A 48 0.683 12.000 -1.718 1.00 0.00 C ATOM 0 H PHE A 48 5.774 11.857 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 48 4.318 14.157 1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.899 11.203 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.028 12.564 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.757 10.846 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.080 13.398 1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.123 10.731 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.552 13.281 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.027 11.951 -2.530 1.00 0.00 H new ATOM 801 N LYS A 49 5.411 13.026 3.467 1.00 0.00 N ATOM 802 CA LYS A 49 6.432 12.929 4.553 1.00 0.00 C ATOM 803 C LYS A 49 5.869 12.112 5.718 1.00 0.00 C ATOM 804 O LYS A 49 6.358 11.042 6.029 1.00 0.00 O ATOM 805 CB LYS A 49 6.786 14.334 5.047 1.00 0.00 C ATOM 806 CG LYS A 49 7.978 14.874 4.250 1.00 0.00 C ATOM 807 CD LYS A 49 7.481 15.827 3.161 1.00 0.00 C ATOM 808 CE LYS A 49 8.675 16.537 2.525 1.00 0.00 C ATOM 809 NZ LYS A 49 9.325 15.628 1.538 1.00 0.00 N ATOM 0 H LYS A 49 4.444 13.087 3.787 1.00 0.00 H new ATOM 0 HA LYS A 49 7.325 12.440 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.929 14.997 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.028 14.307 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.667 15.394 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.531 14.049 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.927 15.273 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.794 16.558 3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.347 17.452 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.391 16.828 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.138 16.111 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.651 14.767 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.640 15.372 0.799 1.00 0.00 H new ATOM 823 N HIS A 50 4.850 12.613 6.366 1.00 0.00 N ATOM 824 CA HIS A 50 4.248 11.881 7.520 1.00 0.00 C ATOM 825 C HIS A 50 3.499 10.631 7.034 1.00 0.00 C ATOM 826 O HIS A 50 3.165 9.764 7.821 1.00 0.00 O ATOM 827 CB HIS A 50 3.270 12.808 8.246 1.00 0.00 C ATOM 828 CG HIS A 50 4.037 13.902 8.937 1.00 0.00 C ATOM 829 ND1 HIS A 50 4.641 13.715 10.170 1.00 0.00 N ATOM 830 CD2 HIS A 50 4.307 15.200 8.580 1.00 0.00 C ATOM 831 CE1 HIS A 50 5.240 14.872 10.508 1.00 0.00 C ATOM 832 NE2 HIS A 50 5.068 15.810 9.573 1.00 0.00 N ATOM 0 H HIS A 50 4.406 13.504 6.144 1.00 0.00 H new ATOM 0 HA HIS A 50 5.044 11.571 8.197 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.563 13.237 7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.687 12.242 8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.979 15.675 7.667 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.792 15.023 11.424 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.419 16.768 9.584 1.00 0.00 H new ATOM 840 N SER A 51 3.221 10.532 5.755 1.00 0.00 N ATOM 841 CA SER A 51 2.483 9.341 5.235 1.00 0.00 C ATOM 842 C SER A 51 3.449 8.170 5.021 1.00 0.00 C ATOM 843 O SER A 51 4.395 8.265 4.262 1.00 0.00 O ATOM 844 CB SER A 51 1.818 9.703 3.906 1.00 0.00 C ATOM 845 OG SER A 51 0.552 9.061 3.821 1.00 0.00 O ATOM 0 H SER A 51 3.474 11.225 5.051 1.00 0.00 H new ATOM 0 HA SER A 51 1.726 9.045 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.696 10.783 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.451 9.395 3.074 1.00 0.00 H new ATOM 0 HG SER A 51 0.124 9.293 2.971 1.00 0.00 H new ATOM 851 N ASN A 52 3.205 7.065 5.680 1.00 0.00 N ATOM 852 CA ASN A 52 4.088 5.873 5.518 1.00 0.00 C ATOM 853 C ASN A 52 3.268 4.722 4.925 1.00 0.00 C ATOM 854 O ASN A 52 2.085 4.860 4.680 1.00 0.00 O ATOM 855 CB ASN A 52 4.648 5.461 6.887 1.00 0.00 C ATOM 856 CG ASN A 52 6.162 5.243 6.779 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.860 6.050 6.196 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.703 4.181 7.312 1.00 0.00 N ATOM 0 H ASN A 52 2.427 6.938 6.327 1.00 0.00 H new ATOM 0 HA ASN A 52 4.916 6.113 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.433 6.233 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.162 4.547 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.709 4.030 7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.120 3.503 7.802 1.00 0.00 H new ATOM 865 N PHE A 53 3.885 3.584 4.692 1.00 0.00 N ATOM 866 CA PHE A 53 3.142 2.415 4.113 1.00 0.00 C ATOM 867 C PHE A 53 1.871 2.136 4.922 1.00 0.00 C ATOM 868 O PHE A 53 0.894 1.637 4.401 1.00 0.00 O ATOM 869 CB PHE A 53 4.032 1.168 4.137 1.00 0.00 C ATOM 870 CG PHE A 53 4.674 1.011 5.497 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.928 0.509 6.571 1.00 0.00 C ATOM 872 CD2 PHE A 53 6.015 1.366 5.681 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.525 0.363 7.830 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.610 1.221 6.939 1.00 0.00 C ATOM 875 CZ PHE A 53 5.866 0.720 8.013 1.00 0.00 C ATOM 0 H PHE A 53 4.873 3.415 4.878 1.00 0.00 H new ATOM 0 HA PHE A 53 2.870 2.655 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.439 0.284 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.802 1.247 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.893 0.235 6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.590 1.752 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.951 -0.025 8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.645 1.496 7.081 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.327 0.609 8.983 1.00 0.00 H new ATOM 885 N ALA A 54 1.882 2.461 6.186 1.00 0.00 N ATOM 886 CA ALA A 54 0.678 2.225 7.035 1.00 0.00 C ATOM 887 C ALA A 54 -0.457 3.143 6.571 1.00 0.00 C ATOM 888 O ALA A 54 -1.583 2.714 6.414 1.00 0.00 O ATOM 889 CB ALA A 54 1.016 2.526 8.497 1.00 0.00 C ATOM 0 H ALA A 54 2.676 2.881 6.670 1.00 0.00 H new ATOM 0 HA ALA A 54 0.365 1.185 6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.136 2.353 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.825 1.873 8.825 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.328 3.566 8.592 1.00 0.00 H new ATOM 895 N SER A 55 -0.166 4.400 6.349 1.00 0.00 N ATOM 896 CA SER A 55 -1.225 5.351 5.893 1.00 0.00 C ATOM 897 C SER A 55 -1.635 5.030 4.448 1.00 0.00 C ATOM 898 O SER A 55 -2.701 5.409 4.003 1.00 0.00 O ATOM 899 CB SER A 55 -0.686 6.781 5.964 1.00 0.00 C ATOM 900 OG SER A 55 -1.567 7.653 5.263 1.00 0.00 O ATOM 0 H SER A 55 0.761 4.809 6.464 1.00 0.00 H new ATOM 0 HA SER A 55 -2.097 5.253 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.595 7.096 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.312 6.827 5.529 1.00 0.00 H new ATOM 0 HG SER A 55 -1.046 8.250 4.686 1.00 0.00 H new ATOM 906 N PHE A 56 -0.795 4.340 3.714 1.00 0.00 N ATOM 907 CA PHE A 56 -1.130 3.999 2.298 1.00 0.00 C ATOM 908 C PHE A 56 -2.165 2.867 2.264 1.00 0.00 C ATOM 909 O PHE A 56 -3.131 2.920 1.529 1.00 0.00 O ATOM 910 CB PHE A 56 0.153 3.546 1.584 1.00 0.00 C ATOM 911 CG PHE A 56 -0.127 3.239 0.126 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.840 4.149 -0.663 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.335 2.041 -0.433 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.091 3.863 -2.011 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.085 1.755 -1.781 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.628 2.665 -2.570 1.00 0.00 C ATOM 0 H PHE A 56 0.110 3.998 4.037 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.548 4.873 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.911 4.326 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.557 2.661 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.197 5.073 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.884 1.338 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.641 4.566 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.443 0.832 -2.212 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.821 2.444 -3.609 1.00 0.00 H new ATOM 926 N VAL A 57 -1.958 1.845 3.050 1.00 0.00 N ATOM 927 CA VAL A 57 -2.911 0.694 3.070 1.00 0.00 C ATOM 928 C VAL A 57 -4.203 1.096 3.790 1.00 0.00 C ATOM 929 O VAL A 57 -5.273 0.597 3.489 1.00 0.00 O ATOM 930 CB VAL A 57 -2.254 -0.484 3.805 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.169 -1.711 3.739 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.911 -0.818 3.143 1.00 0.00 C ATOM 0 H VAL A 57 -1.164 1.756 3.684 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.154 0.404 2.048 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.091 -0.209 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.699 -2.544 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.124 -1.479 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.336 -1.984 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.446 -1.654 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.077 -1.089 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.255 0.051 3.192 1.00 0.00 H new ATOM 942 N ARG A 58 -4.111 1.991 4.740 1.00 0.00 N ATOM 943 CA ARG A 58 -5.327 2.428 5.491 1.00 0.00 C ATOM 944 C ARG A 58 -6.223 3.284 4.586 1.00 0.00 C ATOM 945 O ARG A 58 -7.423 3.089 4.530 1.00 0.00 O ATOM 946 CB ARG A 58 -4.892 3.248 6.717 1.00 0.00 C ATOM 947 CG ARG A 58 -5.516 2.664 7.989 1.00 0.00 C ATOM 948 CD ARG A 58 -4.595 2.937 9.180 1.00 0.00 C ATOM 949 NE ARG A 58 -4.689 4.373 9.562 1.00 0.00 N ATOM 950 CZ ARG A 58 -4.923 4.706 10.802 1.00 0.00 C ATOM 951 NH1 ARG A 58 -6.055 4.379 11.366 1.00 0.00 N ATOM 952 NH2 ARG A 58 -4.025 5.366 11.479 1.00 0.00 N ATOM 0 H ARG A 58 -3.242 2.440 5.029 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.889 1.552 5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.805 3.243 6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.198 4.287 6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.496 3.109 8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.669 1.591 7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.877 2.306 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.566 2.685 8.923 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.570 5.097 8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.758 3.863 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.236 4.640 12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.141 5.621 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.207 5.627 12.448 1.00 0.00 H new ATOM 966 N GLN A 59 -5.651 4.232 3.887 1.00 0.00 N ATOM 967 CA GLN A 59 -6.469 5.109 2.994 1.00 0.00 C ATOM 968 C GLN A 59 -7.071 4.287 1.855 1.00 0.00 C ATOM 969 O GLN A 59 -8.201 4.504 1.461 1.00 0.00 O ATOM 970 CB GLN A 59 -5.583 6.210 2.407 1.00 0.00 C ATOM 971 CG GLN A 59 -5.133 7.166 3.517 1.00 0.00 C ATOM 972 CD GLN A 59 -6.351 7.853 4.145 1.00 0.00 C ATOM 973 OE1 GLN A 59 -6.524 7.827 5.347 1.00 0.00 O ATOM 974 NE2 GLN A 59 -7.207 8.472 3.378 1.00 0.00 N ATOM 0 H GLN A 59 -4.652 4.437 3.896 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.274 5.554 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.713 5.768 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.131 6.760 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.582 6.616 4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.453 7.914 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.064 8.495 2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.019 8.933 3.788 1.00 0.00 H new ATOM 983 N LEU A 60 -6.330 3.345 1.320 1.00 0.00 N ATOM 984 CA LEU A 60 -6.871 2.514 0.202 1.00 0.00 C ATOM 985 C LEU A 60 -8.093 1.742 0.694 1.00 0.00 C ATOM 986 O LEU A 60 -9.080 1.630 0.002 1.00 0.00 O ATOM 987 CB LEU A 60 -5.811 1.523 -0.278 1.00 0.00 C ATOM 988 CG LEU A 60 -4.628 2.285 -0.870 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.396 1.380 -0.879 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.961 2.706 -2.304 1.00 0.00 C ATOM 0 H LEU A 60 -5.379 3.118 1.609 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.150 3.167 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.477 0.901 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.236 0.854 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.426 3.171 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.550 1.922 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.160 1.076 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.599 0.496 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.117 3.250 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.161 1.820 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.842 3.348 -2.299 1.00 0.00 H new ATOM 1002 N ASN A 61 -8.029 1.211 1.888 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.187 0.444 2.435 1.00 0.00 C ATOM 1004 C ASN A 61 -10.319 1.408 2.824 1.00 0.00 C ATOM 1005 O ASN A 61 -11.463 1.011 2.936 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.735 -0.343 3.671 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.536 -1.814 3.297 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -9.159 -2.687 3.868 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -7.690 -2.125 2.354 1.00 0.00 N ATOM 0 H ASN A 61 -7.222 1.276 2.509 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.554 -0.245 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.806 0.073 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.479 -0.256 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.551 -3.102 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.168 -1.391 1.875 1.00 0.00 H new ATOM 1016 N MET A 62 -10.008 2.664 3.041 1.00 0.00 N ATOM 1017 CA MET A 62 -11.062 3.645 3.434 1.00 0.00 C ATOM 1018 C MET A 62 -12.038 3.865 2.275 1.00 0.00 C ATOM 1019 O MET A 62 -13.239 3.758 2.441 1.00 0.00 O ATOM 1020 CB MET A 62 -10.404 4.977 3.804 1.00 0.00 C ATOM 1021 CG MET A 62 -11.192 5.640 4.935 1.00 0.00 C ATOM 1022 SD MET A 62 -10.504 7.279 5.269 1.00 0.00 S ATOM 1023 CE MET A 62 -10.115 7.005 7.014 1.00 0.00 C ATOM 0 H MET A 62 -9.067 3.050 2.962 1.00 0.00 H new ATOM 0 HA MET A 62 -11.610 3.253 4.291 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.372 4.811 4.114 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.374 5.634 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.243 5.724 4.659 1.00 0.00 H new ATOM 0 HG3 MET A 62 -11.147 5.025 5.834 1.00 0.00 H new ATOM 0 HE1 MET A 62 -9.670 7.907 7.434 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.029 6.765 7.557 1.00 0.00 H new ATOM 0 HE3 MET A 62 -9.411 6.178 7.104 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.535 4.178 1.109 1.00 0.00 N ATOM 1034 CA TYR A 63 -12.436 4.412 -0.061 1.00 0.00 C ATOM 1035 C TYR A 63 -12.866 3.065 -0.646 1.00 0.00 C ATOM 1036 O TYR A 63 -14.033 2.828 -0.897 1.00 0.00 O ATOM 1037 CB TYR A 63 -11.692 5.214 -1.135 1.00 0.00 C ATOM 1038 CG TYR A 63 -11.038 6.431 -0.519 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.803 7.569 -0.236 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.667 6.421 -0.241 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.194 8.698 0.326 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -9.058 7.550 0.319 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.821 8.689 0.604 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.220 9.802 1.154 1.00 0.00 O ATOM 0 H TYR A 63 -10.539 4.282 0.915 1.00 0.00 H new ATOM 0 HA TYR A 63 -13.313 4.970 0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.937 4.587 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -12.387 5.522 -1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.861 7.576 -0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.078 5.542 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.783 9.576 0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.999 7.543 0.531 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.108 9.670 2.119 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.925 2.187 -0.865 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.251 0.846 -1.435 1.00 0.00 C ATOM 1056 C GLY A 64 -10.979 -0.005 -1.514 1.00 0.00 C ATOM 1057 O GLY A 64 -10.417 -0.385 -0.507 1.00 0.00 O ATOM 0 H GLY A 64 -10.935 2.342 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.996 0.348 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.687 0.958 -2.428 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.526 -0.300 -2.708 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.287 -1.128 -2.888 1.00 0.00 C ATOM 1063 C TRP A 65 -9.412 -2.458 -2.136 1.00 0.00 C ATOM 1064 O TRP A 65 -9.287 -2.518 -0.927 1.00 0.00 O ATOM 1065 CB TRP A 65 -8.068 -0.358 -2.376 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.675 0.665 -3.393 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.944 1.988 -3.310 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -6.956 0.471 -4.646 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.432 2.619 -4.430 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -6.813 1.727 -5.283 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.418 -0.661 -5.283 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.160 1.854 -6.508 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -5.760 -0.536 -6.518 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -5.631 0.719 -7.129 1.00 0.00 C ATOM 0 H TRP A 65 -10.966 0.000 -3.578 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.163 -1.339 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.299 0.125 -1.427 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.240 -1.043 -2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.472 2.472 -2.502 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.503 3.621 -4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.511 -1.632 -4.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.063 2.823 -6.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.351 -1.412 -6.999 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.124 0.809 -8.078 1.00 0.00 H new ATOM 1085 N HIS A 66 -9.649 -3.528 -2.852 1.00 0.00 N ATOM 1086 CA HIS A 66 -9.778 -4.861 -2.193 1.00 0.00 C ATOM 1087 C HIS A 66 -8.735 -5.818 -2.769 1.00 0.00 C ATOM 1088 O HIS A 66 -8.643 -6.001 -3.968 1.00 0.00 O ATOM 1089 CB HIS A 66 -11.179 -5.422 -2.449 1.00 0.00 C ATOM 1090 CG HIS A 66 -12.206 -4.519 -1.824 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -12.056 -3.998 -0.548 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -13.403 -4.037 -2.288 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -13.138 -3.241 -0.290 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -13.991 -3.230 -1.318 1.00 0.00 N ATOM 0 H HIS A 66 -9.759 -3.535 -3.866 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.619 -4.753 -1.120 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -11.358 -5.506 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -11.261 -6.426 -2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.825 -4.251 -3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.297 -2.707 0.635 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.882 -2.736 -1.379 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.948 -6.432 -1.920 1.00 0.00 N ATOM 1103 CA LYS A 67 -6.906 -7.384 -2.408 1.00 0.00 C ATOM 1104 C LYS A 67 -7.580 -8.540 -3.152 1.00 0.00 C ATOM 1105 O LYS A 67 -8.780 -8.724 -3.069 1.00 0.00 O ATOM 1106 CB LYS A 67 -6.123 -7.937 -1.212 1.00 0.00 C ATOM 1107 CG LYS A 67 -5.315 -6.812 -0.551 1.00 0.00 C ATOM 1108 CD LYS A 67 -5.555 -6.822 0.963 1.00 0.00 C ATOM 1109 CE LYS A 67 -4.444 -6.037 1.662 1.00 0.00 C ATOM 1110 NZ LYS A 67 -4.300 -6.522 3.064 1.00 0.00 N ATOM 0 H LYS A 67 -7.984 -6.314 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.225 -6.865 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.810 -8.377 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.454 -8.732 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.253 -6.942 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.607 -5.848 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.525 -6.380 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.577 -7.848 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.504 -6.160 1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.677 -4.972 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.545 -5.989 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.196 -6.383 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.059 -7.534 3.058 1.00 0.00 H new ATOM 1124 N VAL A 68 -6.817 -9.317 -3.877 1.00 0.00 N ATOM 1125 CA VAL A 68 -7.407 -10.462 -4.632 1.00 0.00 C ATOM 1126 C VAL A 68 -7.811 -11.568 -3.653 1.00 0.00 C ATOM 1127 O VAL A 68 -7.090 -11.884 -2.726 1.00 0.00 O ATOM 1128 CB VAL A 68 -6.383 -11.008 -5.634 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -6.152 -9.977 -6.739 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -5.057 -11.295 -4.923 1.00 0.00 C ATOM 0 H VAL A 68 -5.808 -9.207 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.288 -10.119 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.765 -11.932 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.424 -10.364 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.092 -9.778 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.775 -9.053 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.335 -11.683 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.673 -10.374 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.218 -12.033 -4.137 1.00 0.00 H new ATOM 1140 N GLN A 69 -8.961 -12.157 -3.858 1.00 0.00 N ATOM 1141 CA GLN A 69 -9.426 -13.247 -2.952 1.00 0.00 C ATOM 1142 C GLN A 69 -9.274 -14.597 -3.660 1.00 0.00 C ATOM 1143 O GLN A 69 -9.114 -15.625 -3.028 1.00 0.00 O ATOM 1144 CB GLN A 69 -10.897 -13.017 -2.587 1.00 0.00 C ATOM 1145 CG GLN A 69 -11.128 -13.385 -1.117 1.00 0.00 C ATOM 1146 CD GLN A 69 -10.951 -12.140 -0.244 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -11.822 -11.296 -0.185 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -9.849 -11.991 0.440 1.00 0.00 N ATOM 0 H GLN A 69 -9.601 -11.928 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.826 -13.246 -2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.165 -11.974 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.540 -13.620 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.130 -13.794 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.425 -14.160 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.118 -12.700 0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.719 -11.165 1.024 1.00 0.00 H new ATOM 1157 N ASP A 70 -9.317 -14.599 -4.971 1.00 0.00 N ATOM 1158 CA ASP A 70 -9.171 -15.875 -5.731 1.00 0.00 C ATOM 1159 C ASP A 70 -7.727 -16.008 -6.221 1.00 0.00 C ATOM 1160 O ASP A 70 -7.299 -15.303 -7.115 1.00 0.00 O ATOM 1161 CB ASP A 70 -10.121 -15.866 -6.932 1.00 0.00 C ATOM 1162 CG ASP A 70 -9.895 -14.597 -7.757 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -10.519 -13.595 -7.447 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -9.103 -14.647 -8.683 1.00 0.00 O ATOM 0 H ASP A 70 -9.448 -13.767 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.416 -16.717 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.951 -16.748 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.155 -15.910 -6.591 1.00 0.00 H new ATOM 1169 N VAL A 71 -6.972 -16.906 -5.639 1.00 0.00 N ATOM 1170 CA VAL A 71 -5.549 -17.090 -6.066 1.00 0.00 C ATOM 1171 C VAL A 71 -5.083 -18.508 -5.719 1.00 0.00 C ATOM 1172 O VAL A 71 -4.416 -19.156 -6.502 1.00 0.00 O ATOM 1173 CB VAL A 71 -4.653 -16.067 -5.356 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -4.909 -14.674 -5.934 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -4.961 -16.059 -3.856 1.00 0.00 C ATOM 0 H VAL A 71 -7.279 -17.521 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.480 -16.940 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.609 -16.340 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.272 -13.948 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.683 -14.675 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.955 -14.405 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.322 -15.331 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.006 -15.791 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.775 -17.050 -3.441 1.00 0.00 H new ATOM 1185 N LYS A 72 -5.430 -18.995 -4.551 1.00 0.00 N ATOM 1186 CA LYS A 72 -5.014 -20.373 -4.141 1.00 0.00 C ATOM 1187 C LYS A 72 -3.489 -20.431 -3.993 1.00 0.00 C ATOM 1188 O LYS A 72 -2.842 -21.343 -4.476 1.00 0.00 O ATOM 1189 CB LYS A 72 -5.471 -21.393 -5.194 1.00 0.00 C ATOM 1190 CG LYS A 72 -5.360 -22.816 -4.624 1.00 0.00 C ATOM 1191 CD LYS A 72 -6.713 -23.526 -4.730 1.00 0.00 C ATOM 1192 CE LYS A 72 -6.700 -24.781 -3.856 1.00 0.00 C ATOM 1193 NZ LYS A 72 -6.704 -24.383 -2.419 1.00 0.00 N ATOM 0 H LYS A 72 -5.987 -18.493 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.478 -20.615 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.500 -21.189 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.859 -21.302 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.601 -23.377 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.041 -22.776 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.513 -22.857 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.915 -23.794 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.570 -25.400 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.818 -25.382 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.126 -25.144 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.728 -24.214 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.261 -23.513 -2.301 1.00 0.00 H new ATOM 1207 N SER A 73 -2.912 -19.467 -3.319 1.00 0.00 N ATOM 1208 CA SER A 73 -1.432 -19.462 -3.128 1.00 0.00 C ATOM 1209 C SER A 73 -1.048 -20.530 -2.101 1.00 0.00 C ATOM 1210 O SER A 73 -0.297 -21.443 -2.392 1.00 0.00 O ATOM 1211 CB SER A 73 -0.985 -18.088 -2.625 1.00 0.00 C ATOM 1212 OG SER A 73 -1.970 -17.568 -1.741 1.00 0.00 O ATOM 0 H SER A 73 -3.405 -18.682 -2.893 1.00 0.00 H new ATOM 0 HA SER A 73 -0.943 -19.677 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.027 -18.170 -2.112 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.840 -17.410 -3.466 1.00 0.00 H new ATOM 0 HG SER A 73 -1.686 -16.688 -1.416 1.00 0.00 H new ATOM 1218 N GLY A 74 -1.564 -20.422 -0.903 1.00 0.00 N ATOM 1219 CA GLY A 74 -1.240 -21.426 0.151 1.00 0.00 C ATOM 1220 C GLY A 74 -0.013 -20.969 0.939 1.00 0.00 C ATOM 1221 O GLY A 74 0.876 -21.750 1.225 1.00 0.00 O ATOM 0 H GLY A 74 -2.198 -19.678 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.090 -21.550 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.050 -22.398 -0.305 1.00 0.00 H new ATOM 1225 N SER A 75 0.042 -19.710 1.296 1.00 0.00 N ATOM 1226 CA SER A 75 1.211 -19.196 2.069 1.00 0.00 C ATOM 1227 C SER A 75 0.989 -17.721 2.412 1.00 0.00 C ATOM 1228 O SER A 75 1.271 -16.843 1.618 1.00 0.00 O ATOM 1229 CB SER A 75 2.484 -19.344 1.230 1.00 0.00 C ATOM 1230 OG SER A 75 3.552 -19.763 2.070 1.00 0.00 O ATOM 0 H SER A 75 -0.675 -19.016 1.084 1.00 0.00 H new ATOM 0 HA SER A 75 1.317 -19.768 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.326 -20.070 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.731 -18.396 0.753 1.00 0.00 H new ATOM 0 HG SER A 75 4.369 -19.861 1.537 1.00 0.00 H new ATOM 1236 N MET A 76 0.491 -17.443 3.592 1.00 0.00 N ATOM 1237 CA MET A 76 0.254 -16.027 3.994 1.00 0.00 C ATOM 1238 C MET A 76 1.525 -15.485 4.692 1.00 0.00 C ATOM 1239 O MET A 76 2.521 -15.247 4.035 1.00 0.00 O ATOM 1240 CB MET A 76 -0.978 -15.962 4.909 1.00 0.00 C ATOM 1241 CG MET A 76 -1.279 -14.503 5.266 1.00 0.00 C ATOM 1242 SD MET A 76 -2.519 -14.448 6.585 1.00 0.00 S ATOM 1243 CE MET A 76 -3.597 -13.204 5.831 1.00 0.00 C ATOM 0 H MET A 76 0.239 -18.139 4.294 1.00 0.00 H new ATOM 0 HA MET A 76 0.055 -15.402 3.123 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.838 -16.409 4.410 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.800 -16.539 5.816 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.367 -14.001 5.588 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.643 -13.970 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.445 -13.012 6.488 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.038 -12.281 5.681 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.958 -13.570 4.870 1.00 0.00 H new ATOM 1253 N LEU A 77 1.520 -15.288 5.998 1.00 0.00 N ATOM 1254 CA LEU A 77 2.742 -14.771 6.681 1.00 0.00 C ATOM 1255 C LEU A 77 3.602 -15.950 7.141 1.00 0.00 C ATOM 1256 O LEU A 77 3.584 -16.327 8.298 1.00 0.00 O ATOM 1257 CB LEU A 77 2.334 -13.922 7.889 1.00 0.00 C ATOM 1258 CG LEU A 77 1.937 -12.519 7.417 1.00 0.00 C ATOM 1259 CD1 LEU A 77 0.766 -12.006 8.260 1.00 0.00 C ATOM 1260 CD2 LEU A 77 3.128 -11.569 7.572 1.00 0.00 C ATOM 0 H LEU A 77 0.723 -15.464 6.610 1.00 0.00 H new ATOM 0 HA LEU A 77 3.315 -14.154 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.500 -14.391 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.160 -13.859 8.598 1.00 0.00 H new ATOM 0 HG LEU A 77 1.640 -12.563 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.485 -11.008 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.084 -12.679 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.063 -11.965 9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.844 -10.572 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.426 -11.528 8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.962 -11.931 6.971 1.00 0.00 H new ATOM 1272 N SER A 78 4.353 -16.535 6.242 1.00 0.00 N ATOM 1273 CA SER A 78 5.216 -17.693 6.619 1.00 0.00 C ATOM 1274 C SER A 78 6.683 -17.343 6.364 1.00 0.00 C ATOM 1275 O SER A 78 7.473 -17.243 7.285 1.00 0.00 O ATOM 1276 CB SER A 78 4.831 -18.912 5.779 1.00 0.00 C ATOM 1277 OG SER A 78 4.980 -20.086 6.567 1.00 0.00 O ATOM 0 H SER A 78 4.405 -16.259 5.261 1.00 0.00 H new ATOM 0 HA SER A 78 5.075 -17.920 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.802 -18.820 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.462 -18.972 4.892 1.00 0.00 H new ATOM 0 HG SER A 78 4.733 -20.871 6.035 1.00 0.00 H new ATOM 1283 N ASN A 79 7.053 -17.162 5.122 1.00 0.00 N ATOM 1284 CA ASN A 79 8.469 -16.823 4.801 1.00 0.00 C ATOM 1285 C ASN A 79 8.532 -16.100 3.453 1.00 0.00 C ATOM 1286 O ASN A 79 9.436 -16.315 2.667 1.00 0.00 O ATOM 1287 CB ASN A 79 9.294 -18.110 4.731 1.00 0.00 C ATOM 1288 CG ASN A 79 10.706 -17.839 5.251 1.00 0.00 C ATOM 1289 OD1 ASN A 79 11.658 -17.850 4.496 1.00 0.00 O ATOM 1290 ND2 ASN A 79 10.884 -17.597 6.522 1.00 0.00 N ATOM 0 H ASN A 79 6.433 -17.235 4.316 1.00 0.00 H new ATOM 0 HA ASN A 79 8.872 -16.172 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.820 -18.891 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.336 -18.472 3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.822 -17.417 6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.085 -17.588 7.156 1.00 0.00 H new ATOM 1297 N ASN A 80 7.580 -15.242 3.184 1.00 0.00 N ATOM 1298 CA ASN A 80 7.581 -14.498 1.890 1.00 0.00 C ATOM 1299 C ASN A 80 6.746 -13.224 2.033 1.00 0.00 C ATOM 1300 O ASN A 80 5.691 -13.229 2.639 1.00 0.00 O ATOM 1301 CB ASN A 80 6.984 -15.381 0.791 1.00 0.00 C ATOM 1302 CG ASN A 80 5.601 -15.874 1.223 1.00 0.00 C ATOM 1303 OD1 ASN A 80 5.456 -16.989 1.681 1.00 0.00 O ATOM 1304 ND2 ASN A 80 4.571 -15.084 1.092 1.00 0.00 N ATOM 0 H ASN A 80 6.802 -15.025 3.806 1.00 0.00 H new ATOM 0 HA ASN A 80 8.605 -14.233 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.906 -14.818 -0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.639 -16.230 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.644 -15.403 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.692 -14.147 0.707 1.00 0.00 H new ATOM 1311 N ASP A 81 7.214 -12.135 1.479 1.00 0.00 N ATOM 1312 CA ASP A 81 6.454 -10.854 1.577 1.00 0.00 C ATOM 1313 C ASP A 81 7.169 -9.770 0.762 1.00 0.00 C ATOM 1314 O ASP A 81 7.423 -8.680 1.245 1.00 0.00 O ATOM 1315 CB ASP A 81 6.363 -10.429 3.047 1.00 0.00 C ATOM 1316 CG ASP A 81 7.763 -10.404 3.669 1.00 0.00 C ATOM 1317 OD1 ASP A 81 8.573 -9.602 3.233 1.00 0.00 O ATOM 1318 OD2 ASP A 81 8.000 -11.185 4.575 1.00 0.00 O ATOM 0 H ASP A 81 8.092 -12.078 0.962 1.00 0.00 H new ATOM 0 HA ASP A 81 5.448 -10.992 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.904 -9.443 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.724 -11.121 3.596 1.00 0.00 H new ATOM 1323 N SER A 82 7.496 -10.063 -0.472 1.00 0.00 N ATOM 1324 CA SER A 82 8.196 -9.054 -1.324 1.00 0.00 C ATOM 1325 C SER A 82 7.413 -8.812 -2.622 1.00 0.00 C ATOM 1326 O SER A 82 7.946 -8.281 -3.579 1.00 0.00 O ATOM 1327 CB SER A 82 9.593 -9.569 -1.665 1.00 0.00 C ATOM 1328 OG SER A 82 10.314 -9.805 -0.463 1.00 0.00 O ATOM 0 H SER A 82 7.308 -10.957 -0.926 1.00 0.00 H new ATOM 0 HA SER A 82 8.266 -8.115 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.522 -10.488 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.121 -8.842 -2.282 1.00 0.00 H new ATOM 0 HG SER A 82 11.210 -10.137 -0.679 1.00 0.00 H new ATOM 1334 N ARG A 83 6.156 -9.185 -2.663 1.00 0.00 N ATOM 1335 CA ARG A 83 5.345 -8.965 -3.898 1.00 0.00 C ATOM 1336 C ARG A 83 3.885 -8.733 -3.501 1.00 0.00 C ATOM 1337 O ARG A 83 3.104 -9.661 -3.402 1.00 0.00 O ATOM 1338 CB ARG A 83 5.451 -10.198 -4.810 1.00 0.00 C ATOM 1339 CG ARG A 83 5.834 -9.761 -6.228 1.00 0.00 C ATOM 1340 CD ARG A 83 5.658 -10.935 -7.194 1.00 0.00 C ATOM 1341 NE ARG A 83 4.343 -10.819 -7.883 1.00 0.00 N ATOM 1342 CZ ARG A 83 4.161 -11.392 -9.043 1.00 0.00 C ATOM 1343 NH1 ARG A 83 4.630 -12.590 -9.262 1.00 0.00 N ATOM 1344 NH2 ARG A 83 3.509 -10.764 -9.984 1.00 0.00 N ATOM 0 H ARG A 83 5.658 -9.632 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 83 5.718 -8.094 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.197 -10.889 -4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.501 -10.732 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.211 -8.923 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.867 -9.415 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.465 -10.941 -7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.714 -11.878 -6.651 1.00 0.00 H new ATOM 0 HE ARG A 83 3.585 -10.292 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.140 -13.080 -8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.487 -13.036 -10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.143 -9.828 -9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.366 -11.210 -10.890 1.00 0.00 H new ATOM 1358 N TRP A 84 3.520 -7.500 -3.265 1.00 0.00 N ATOM 1359 CA TRP A 84 2.119 -7.188 -2.864 1.00 0.00 C ATOM 1360 C TRP A 84 1.292 -6.888 -4.116 1.00 0.00 C ATOM 1361 O TRP A 84 1.803 -6.389 -5.101 1.00 0.00 O ATOM 1362 CB TRP A 84 2.122 -5.966 -1.939 1.00 0.00 C ATOM 1363 CG TRP A 84 2.859 -6.294 -0.675 1.00 0.00 C ATOM 1364 CD1 TRP A 84 4.145 -6.715 -0.608 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.381 -6.226 0.702 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.482 -6.920 0.716 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.431 -6.630 1.563 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.153 -5.859 1.282 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.266 -6.669 2.948 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.985 -5.896 2.676 1.00 0.00 C ATOM 1371 CH2 TRP A 84 2.038 -6.301 3.507 1.00 0.00 C ATOM 0 H TRP A 84 4.138 -6.691 -3.334 1.00 0.00 H new ATOM 0 HA TRP A 84 1.683 -8.038 -2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.595 -5.120 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.099 -5.669 -1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.801 -6.866 -1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.396 -7.246 1.030 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.334 -5.547 0.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.081 -6.981 3.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.038 -5.610 3.110 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.901 -6.329 4.578 1.00 0.00 H new ATOM 1382 N GLU A 85 0.018 -7.194 -4.087 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.846 -6.935 -5.277 1.00 0.00 C ATOM 1384 C GLU A 85 -2.054 -6.092 -4.868 1.00 0.00 C ATOM 1385 O GLU A 85 -2.597 -6.245 -3.790 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.324 -8.265 -5.866 1.00 0.00 C ATOM 1387 CG GLU A 85 -1.966 -9.115 -4.765 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.882 -9.916 -4.044 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.189 -10.669 -4.707 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -0.762 -9.763 -2.839 1.00 0.00 O ATOM 0 H GLU A 85 -0.460 -7.612 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.268 -6.394 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.043 -8.083 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.484 -8.800 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.492 -8.475 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.706 -9.789 -5.196 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.477 -5.204 -5.730 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.650 -4.338 -5.418 1.00 0.00 C ATOM 1399 C PHE A 86 -4.628 -4.366 -6.592 1.00 0.00 C ATOM 1400 O PHE A 86 -4.225 -4.422 -7.739 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.179 -2.902 -5.189 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.654 -2.760 -3.783 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.469 -3.401 -3.406 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -3.358 -1.986 -2.855 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.987 -3.266 -2.099 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -2.878 -1.851 -1.548 1.00 0.00 C ATOM 1407 CZ PHE A 86 -1.691 -2.490 -1.169 1.00 0.00 C ATOM 0 H PHE A 86 -2.055 -5.041 -6.644 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.144 -4.708 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.400 -2.645 -5.907 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.003 -2.208 -5.352 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.927 -4.000 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.273 -1.492 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.072 -3.760 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.423 -1.254 -0.831 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.319 -2.385 -0.161 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.906 -4.328 -6.313 1.00 0.00 N ATOM 1418 CA GLU A 87 -6.914 -4.354 -7.413 1.00 0.00 C ATOM 1419 C GLU A 87 -8.172 -3.594 -6.986 1.00 0.00 C ATOM 1420 O GLU A 87 -8.510 -3.534 -5.816 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.279 -5.805 -7.729 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.653 -5.928 -9.207 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.208 -7.293 -9.734 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -6.085 -7.389 -10.201 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -7.998 -8.219 -9.660 1.00 0.00 O ATOM 0 H GLU A 87 -6.294 -4.280 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.493 -3.878 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.439 -6.460 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.113 -6.126 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.730 -5.812 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.178 -5.132 -9.781 1.00 0.00 H new ATOM 1432 N ASN A 88 -8.870 -3.016 -7.932 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.111 -2.258 -7.603 1.00 0.00 C ATOM 1434 C ASN A 88 -11.315 -2.973 -8.222 1.00 0.00 C ATOM 1435 O ASN A 88 -11.179 -4.013 -8.838 1.00 0.00 O ATOM 1436 CB ASN A 88 -10.003 -0.833 -8.170 1.00 0.00 C ATOM 1437 CG ASN A 88 -10.056 0.189 -7.031 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -10.609 -0.078 -5.984 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -9.499 1.358 -7.194 1.00 0.00 N ATOM 0 H ASN A 88 -8.630 -3.038 -8.923 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.237 -2.205 -6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.071 -0.723 -8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.816 -0.650 -8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.529 2.046 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.034 1.583 -8.073 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.488 -2.418 -8.063 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.708 -3.054 -8.641 1.00 0.00 C ATOM 1448 C GLU A 89 -13.911 -2.551 -10.072 1.00 0.00 C ATOM 1449 O GLU A 89 -13.752 -3.288 -11.027 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.926 -2.689 -7.790 1.00 0.00 C ATOM 1451 CG GLU A 89 -14.931 -3.529 -6.509 1.00 0.00 C ATOM 1452 CD GLU A 89 -14.325 -2.721 -5.360 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -13.116 -2.550 -5.356 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -15.078 -2.284 -4.506 1.00 0.00 O ATOM 0 H GLU A 89 -12.654 -1.549 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.587 -4.137 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.903 -1.628 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.842 -2.864 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.950 -3.825 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.362 -4.446 -6.662 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.258 -1.297 -10.225 1.00 0.00 N ATOM 1462 CA ARG A 90 -14.472 -0.732 -11.590 1.00 0.00 C ATOM 1463 C ARG A 90 -14.075 0.748 -11.589 1.00 0.00 C ATOM 1464 O ARG A 90 -13.483 1.235 -10.645 1.00 0.00 O ATOM 1465 CB ARG A 90 -15.947 -0.876 -11.976 1.00 0.00 C ATOM 1466 CG ARG A 90 -16.825 -0.205 -10.915 1.00 0.00 C ATOM 1467 CD ARG A 90 -18.282 -0.629 -11.116 1.00 0.00 C ATOM 1468 NE ARG A 90 -19.069 -0.284 -9.899 1.00 0.00 N ATOM 1469 CZ ARG A 90 -19.622 -1.231 -9.193 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -20.458 -2.061 -9.754 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -19.340 -1.347 -7.924 1.00 0.00 N ATOM 0 H ARG A 90 -14.402 -0.639 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.860 -1.270 -12.314 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -16.124 -0.420 -12.950 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.209 -1.930 -12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.488 -0.486 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.737 0.879 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.701 -0.128 -11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.338 -1.701 -11.307 1.00 0.00 H new ATOM 0 HE ARG A 90 -19.175 0.691 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.679 -1.970 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.890 -2.801 -9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.688 -0.697 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.772 -2.087 -7.371 1.00 0.00 H new ATOM 1485 N HIS A 91 -14.391 1.463 -12.641 1.00 0.00 N ATOM 1486 CA HIS A 91 -14.028 2.910 -12.701 1.00 0.00 C ATOM 1487 C HIS A 91 -15.069 3.666 -13.533 1.00 0.00 C ATOM 1488 O HIS A 91 -14.988 3.711 -14.747 1.00 0.00 O ATOM 1489 CB HIS A 91 -12.645 3.055 -13.347 1.00 0.00 C ATOM 1490 CG HIS A 91 -11.843 4.095 -12.612 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -10.572 3.836 -12.122 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -12.116 5.397 -12.278 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -10.132 4.959 -11.525 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -11.034 5.941 -11.591 1.00 0.00 N ATOM 0 H HIS A 91 -14.884 1.106 -13.459 1.00 0.00 H new ATOM 0 HA HIS A 91 -14.006 3.326 -11.694 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.122 2.099 -13.327 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.751 3.338 -14.394 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.031 5.921 -12.512 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.167 5.054 -11.050 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.949 6.887 -11.218 1.00 0.00 H new ATOM 1502 N ALA A 92 -16.041 4.262 -12.889 1.00 0.00 N ATOM 1503 CA ALA A 92 -17.089 5.019 -13.636 1.00 0.00 C ATOM 1504 C ALA A 92 -17.993 5.755 -12.642 1.00 0.00 C ATOM 1505 O ALA A 92 -17.575 5.931 -11.510 1.00 0.00 O ATOM 1506 CB ALA A 92 -17.925 4.045 -14.473 1.00 0.00 C ATOM 1507 OXT ALA A 92 -19.087 6.131 -13.032 1.00 0.00 O ATOM 0 H ALA A 92 -16.153 4.256 -11.875 1.00 0.00 H new ATOM 0 HA ALA A 92 -16.614 5.744 -14.296 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -18.690 4.598 -15.018 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.279 3.526 -15.181 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -18.402 3.317 -13.816 1.00 0.00 H new TER 1513 ALA A 92