USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=15 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN : amide:sc= -3.35 K(o=-3.4,f=-2.5!) USER MOD Set 2.1: A 17 SER OG : rot 73:sc= 0.211 USER MOD Set 2.2: A 18 ASN : amide:sc= -1.67! C(o=-1.3!,f=-3.2!) USER MOD Set 2.3: A 47 TYR OH : rot -6:sc= 0.205 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 12 MET CE :methyl 179:sc= 0 (180deg=-0.00175) USER MOD Single : A 14 ASN : amide:sc= -3.6 K(o=-3.6,f=-13!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.053) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 27 SER OG : rot 46:sc= 0.336 USER MOD Single : A 30 SER OG : rot 150:sc= -0.803 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.166 X(o=-0.17,f=-0.0027) USER MOD Single : A 51 SER OG : rot 180:sc= -0.49 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.0015) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.013) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.472 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.729 K(o=-0.73,f=-1.5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.945 K(o=-0.95,f=-4.2!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.888 10.150 -7.660 1.00 0.00 N ATOM 2 CA ALA A 1 -15.678 9.466 -7.122 1.00 0.00 C ATOM 3 C ALA A 1 -14.423 10.165 -7.648 1.00 0.00 C ATOM 4 O ALA A 1 -13.900 9.818 -8.690 1.00 0.00 O ATOM 5 CB ALA A 1 -15.674 8.004 -7.573 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.742 9.676 -7.303 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.890 11.144 -7.354 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.877 10.108 -8.699 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.690 9.509 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.789 7.504 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.569 7.506 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.662 7.959 -8.662 1.00 0.00 H new ATOM 13 N ARG A 2 -13.939 11.148 -6.931 1.00 0.00 N ATOM 14 CA ARG A 2 -12.716 11.878 -7.377 1.00 0.00 C ATOM 15 C ARG A 2 -12.169 12.717 -6.209 1.00 0.00 C ATOM 16 O ARG A 2 -12.266 13.930 -6.220 1.00 0.00 O ATOM 17 CB ARG A 2 -13.072 12.791 -8.556 1.00 0.00 C ATOM 18 CG ARG A 2 -14.223 13.728 -8.161 1.00 0.00 C ATOM 19 CD ARG A 2 -15.313 13.691 -9.236 1.00 0.00 C ATOM 20 NE ARG A 2 -16.297 14.781 -8.983 1.00 0.00 N ATOM 21 CZ ARG A 2 -17.480 14.496 -8.510 1.00 0.00 C ATOM 22 NH1 ARG A 2 -17.596 13.956 -7.327 1.00 0.00 N ATOM 23 NH2 ARG A 2 -18.545 14.747 -9.220 1.00 0.00 N ATOM 0 H ARG A 2 -14.341 11.476 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 2 -11.954 11.165 -7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.200 13.375 -8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.360 12.190 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.637 13.425 -7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.851 14.746 -8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.868 13.810 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.815 12.724 -9.227 1.00 0.00 H new ATOM 0 HE ARG A 2 -16.046 15.750 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.763 13.757 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -18.520 13.733 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -18.454 15.166 -10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -19.469 14.524 -8.850 1.00 0.00 H new ATOM 37 N PRO A 3 -11.608 12.036 -5.230 1.00 0.00 N ATOM 38 CA PRO A 3 -11.057 12.780 -4.070 1.00 0.00 C ATOM 39 C PRO A 3 -9.631 13.256 -4.360 1.00 0.00 C ATOM 40 O PRO A 3 -9.050 12.929 -5.379 1.00 0.00 O ATOM 41 CB PRO A 3 -11.064 11.771 -2.922 1.00 0.00 C ATOM 42 CG PRO A 3 -11.062 10.377 -3.574 1.00 0.00 C ATOM 43 CD PRO A 3 -11.587 10.565 -5.006 1.00 0.00 C ATOM 0 HA PRO A 3 -11.640 13.672 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.191 11.903 -2.283 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.943 11.905 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.058 9.954 -3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.695 9.687 -3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.942 10.067 -5.729 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.583 10.136 -5.119 1.00 0.00 H new ATOM 51 N ALA A 4 -9.069 14.033 -3.469 1.00 0.00 N ATOM 52 CA ALA A 4 -7.685 14.550 -3.678 1.00 0.00 C ATOM 53 C ALA A 4 -6.677 13.400 -3.593 1.00 0.00 C ATOM 54 O ALA A 4 -5.623 13.452 -4.196 1.00 0.00 O ATOM 55 CB ALA A 4 -7.362 15.590 -2.602 1.00 0.00 C ATOM 0 H ALA A 4 -9.513 14.332 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.621 15.009 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.351 15.968 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.072 16.414 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.433 15.129 -1.617 1.00 0.00 H new ATOM 61 N PHE A 5 -6.989 12.365 -2.850 1.00 0.00 N ATOM 62 CA PHE A 5 -6.040 11.215 -2.727 1.00 0.00 C ATOM 63 C PHE A 5 -5.958 10.471 -4.062 1.00 0.00 C ATOM 64 O PHE A 5 -4.886 10.123 -4.521 1.00 0.00 O ATOM 65 CB PHE A 5 -6.527 10.253 -1.640 1.00 0.00 C ATOM 66 CG PHE A 5 -5.474 9.193 -1.401 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.295 9.516 -0.718 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.679 7.887 -1.865 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.321 8.533 -0.501 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.704 6.905 -1.647 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.526 7.228 -0.965 1.00 0.00 C ATOM 0 H PHE A 5 -7.858 12.268 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.054 11.594 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.726 10.799 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.465 9.788 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.137 10.522 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.589 7.637 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.411 8.782 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.862 5.899 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.775 6.471 -0.796 1.00 0.00 H new ATOM 81 N VAL A 6 -7.082 10.225 -4.685 1.00 0.00 N ATOM 82 CA VAL A 6 -7.076 9.502 -5.991 1.00 0.00 C ATOM 83 C VAL A 6 -6.424 10.393 -7.055 1.00 0.00 C ATOM 84 O VAL A 6 -5.817 9.906 -7.991 1.00 0.00 O ATOM 85 CB VAL A 6 -8.520 9.160 -6.389 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.539 8.442 -7.741 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.134 8.244 -5.326 1.00 0.00 C ATOM 0 H VAL A 6 -8.005 10.494 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.507 8.577 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.095 10.083 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.568 8.205 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.103 9.088 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.960 7.521 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.159 7.999 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.549 7.327 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.132 8.753 -4.362 1.00 0.00 H new ATOM 97 N ASN A 7 -6.543 11.690 -6.917 1.00 0.00 N ATOM 98 CA ASN A 7 -5.925 12.611 -7.916 1.00 0.00 C ATOM 99 C ASN A 7 -4.401 12.509 -7.826 1.00 0.00 C ATOM 100 O ASN A 7 -3.709 12.494 -8.828 1.00 0.00 O ATOM 101 CB ASN A 7 -6.361 14.049 -7.625 1.00 0.00 C ATOM 102 CG ASN A 7 -7.794 14.254 -8.119 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.651 14.685 -7.373 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.093 13.961 -9.355 1.00 0.00 N ATOM 0 H ASN A 7 -7.042 12.150 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.249 12.332 -8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.301 14.250 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.690 14.751 -8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.046 14.094 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.374 13.599 -9.982 1.00 0.00 H new ATOM 111 N LYS A 8 -3.877 12.436 -6.630 1.00 0.00 N ATOM 112 CA LYS A 8 -2.396 12.331 -6.456 1.00 0.00 C ATOM 113 C LYS A 8 -1.930 10.894 -6.736 1.00 0.00 C ATOM 114 O LYS A 8 -0.757 10.651 -6.951 1.00 0.00 O ATOM 115 CB LYS A 8 -2.020 12.715 -5.020 1.00 0.00 C ATOM 116 CG LYS A 8 -2.792 11.835 -4.028 1.00 0.00 C ATOM 117 CD LYS A 8 -2.172 11.953 -2.630 1.00 0.00 C ATOM 118 CE LYS A 8 -2.283 13.400 -2.132 1.00 0.00 C ATOM 119 NZ LYS A 8 -1.635 13.530 -0.790 1.00 0.00 N ATOM 0 H LYS A 8 -4.413 12.445 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.909 13.008 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.947 12.593 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.249 13.766 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.838 12.139 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.771 10.796 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.681 11.281 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.126 11.648 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.806 14.075 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.331 13.692 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.715 14.513 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.108 12.898 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.631 13.269 -0.863 1.00 0.00 H new ATOM 133 N LEU A 9 -2.832 9.942 -6.723 1.00 0.00 N ATOM 134 CA LEU A 9 -2.437 8.526 -6.976 1.00 0.00 C ATOM 135 C LEU A 9 -2.280 8.282 -8.483 1.00 0.00 C ATOM 136 O LEU A 9 -1.528 7.423 -8.903 1.00 0.00 O ATOM 137 CB LEU A 9 -3.521 7.597 -6.413 1.00 0.00 C ATOM 138 CG LEU A 9 -3.093 6.139 -6.581 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.007 5.804 -5.558 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.297 5.221 -6.356 1.00 0.00 C ATOM 0 H LEU A 9 -3.826 10.088 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.484 8.323 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.689 7.817 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.465 7.770 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.705 5.992 -7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.702 4.764 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.147 6.455 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.397 5.954 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.990 4.182 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.685 5.370 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.075 5.456 -7.083 1.00 0.00 H new ATOM 152 N TRP A 10 -2.991 9.018 -9.297 1.00 0.00 N ATOM 153 CA TRP A 10 -2.895 8.812 -10.775 1.00 0.00 C ATOM 154 C TRP A 10 -1.573 9.362 -11.333 1.00 0.00 C ATOM 155 O TRP A 10 -1.295 9.213 -12.509 1.00 0.00 O ATOM 156 CB TRP A 10 -4.047 9.540 -11.469 1.00 0.00 C ATOM 157 CG TRP A 10 -5.332 8.815 -11.236 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.467 9.386 -10.774 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.642 7.407 -11.452 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.453 8.421 -10.694 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.993 7.185 -11.098 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.889 6.312 -11.914 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.579 5.923 -11.200 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.476 5.040 -12.017 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.817 4.846 -11.661 1.00 0.00 C ATOM 0 H TRP A 10 -3.634 9.753 -9.003 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.942 7.740 -10.964 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.123 10.559 -11.091 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.850 9.611 -12.539 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.584 10.427 -10.510 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.405 8.601 -10.375 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.854 6.450 -12.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.613 5.779 -10.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.890 4.206 -12.373 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.261 3.865 -11.743 1.00 0.00 H new ATOM 176 N SER A 11 -0.767 10.011 -10.525 1.00 0.00 N ATOM 177 CA SER A 11 0.513 10.577 -11.054 1.00 0.00 C ATOM 178 C SER A 11 1.712 9.772 -10.547 1.00 0.00 C ATOM 179 O SER A 11 2.650 9.522 -11.281 1.00 0.00 O ATOM 180 CB SER A 11 0.652 12.029 -10.598 1.00 0.00 C ATOM 181 OG SER A 11 0.775 12.068 -9.183 1.00 0.00 O ATOM 0 H SER A 11 -0.939 10.171 -9.532 1.00 0.00 H new ATOM 0 HA SER A 11 0.492 10.526 -12.143 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.525 12.486 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.217 12.606 -10.915 1.00 0.00 H new ATOM 0 HG SER A 11 0.866 12.998 -8.888 1.00 0.00 H new ATOM 187 N MET A 12 1.703 9.384 -9.297 1.00 0.00 N ATOM 188 CA MET A 12 2.859 8.615 -8.746 1.00 0.00 C ATOM 189 C MET A 12 2.770 7.141 -9.155 1.00 0.00 C ATOM 190 O MET A 12 3.781 6.495 -9.363 1.00 0.00 O ATOM 191 CB MET A 12 2.879 8.735 -7.217 1.00 0.00 C ATOM 192 CG MET A 12 1.574 8.182 -6.625 1.00 0.00 C ATOM 193 SD MET A 12 1.851 6.515 -5.968 1.00 0.00 S ATOM 194 CE MET A 12 2.202 7.002 -4.260 1.00 0.00 C ATOM 0 H MET A 12 0.948 9.566 -8.636 1.00 0.00 H new ATOM 0 HA MET A 12 3.781 9.030 -9.153 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.731 8.188 -6.813 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.004 9.779 -6.928 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.217 8.840 -5.833 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.799 8.156 -7.391 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.388 6.112 -3.659 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.082 7.645 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.347 7.542 -3.853 1.00 0.00 H new ATOM 204 N VAL A 13 1.581 6.601 -9.271 1.00 0.00 N ATOM 205 CA VAL A 13 1.456 5.166 -9.668 1.00 0.00 C ATOM 206 C VAL A 13 1.735 5.003 -11.168 1.00 0.00 C ATOM 207 O VAL A 13 1.937 3.902 -11.645 1.00 0.00 O ATOM 208 CB VAL A 13 0.050 4.653 -9.352 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.013 3.135 -9.544 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.302 4.976 -7.900 1.00 0.00 C ATOM 0 H VAL A 13 0.699 7.088 -9.109 1.00 0.00 H new ATOM 0 HA VAL A 13 2.186 4.586 -9.103 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.667 5.133 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.987 2.764 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.267 2.892 -10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.733 2.666 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.304 4.609 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.416 4.495 -7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.269 6.055 -7.749 1.00 0.00 H new ATOM 220 N ASN A 14 1.755 6.081 -11.922 1.00 0.00 N ATOM 221 CA ASN A 14 2.027 5.970 -13.389 1.00 0.00 C ATOM 222 C ASN A 14 3.394 5.279 -13.601 1.00 0.00 C ATOM 223 O ASN A 14 3.466 4.067 -13.594 1.00 0.00 O ATOM 224 CB ASN A 14 1.994 7.376 -14.009 1.00 0.00 C ATOM 225 CG ASN A 14 2.236 7.293 -15.517 1.00 0.00 C ATOM 226 OD1 ASN A 14 3.174 6.666 -15.960 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.423 7.909 -16.331 1.00 0.00 N ATOM 0 H ASN A 14 1.595 7.029 -11.583 1.00 0.00 H new ATOM 0 HA ASN A 14 1.266 5.364 -13.881 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.030 7.845 -13.813 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.755 8.004 -13.545 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.577 7.862 -17.338 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.633 8.437 -15.960 1.00 0.00 H new ATOM 234 N ASP A 15 4.473 6.024 -13.759 1.00 0.00 N ATOM 235 CA ASP A 15 5.834 5.395 -13.942 1.00 0.00 C ATOM 236 C ASP A 15 6.827 6.450 -14.445 1.00 0.00 C ATOM 237 O ASP A 15 7.664 6.171 -15.286 1.00 0.00 O ATOM 238 CB ASP A 15 5.793 4.233 -14.955 1.00 0.00 C ATOM 239 CG ASP A 15 4.953 4.623 -16.171 1.00 0.00 C ATOM 240 OD1 ASP A 15 5.335 5.560 -16.855 1.00 0.00 O ATOM 241 OD2 ASP A 15 3.940 3.981 -16.398 1.00 0.00 O ATOM 0 H ASP A 15 4.470 7.044 -13.769 1.00 0.00 H new ATOM 0 HA ASP A 15 6.148 5.002 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.805 3.979 -15.269 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.373 3.344 -14.484 1.00 0.00 H new ATOM 246 N LYS A 16 6.747 7.658 -13.943 1.00 0.00 N ATOM 247 CA LYS A 16 7.693 8.720 -14.395 1.00 0.00 C ATOM 248 C LYS A 16 8.916 8.745 -13.475 1.00 0.00 C ATOM 249 O LYS A 16 10.014 8.415 -13.880 1.00 0.00 O ATOM 250 CB LYS A 16 6.990 10.081 -14.365 1.00 0.00 C ATOM 251 CG LYS A 16 7.587 11.003 -15.440 1.00 0.00 C ATOM 252 CD LYS A 16 8.085 12.299 -14.793 1.00 0.00 C ATOM 253 CE LYS A 16 7.918 13.460 -15.775 1.00 0.00 C ATOM 254 NZ LYS A 16 8.934 14.510 -15.476 1.00 0.00 N ATOM 0 H LYS A 16 6.068 7.952 -13.241 1.00 0.00 H new ATOM 0 HA LYS A 16 8.017 8.507 -15.414 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.921 9.952 -14.537 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.102 10.536 -13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.410 10.500 -15.948 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.836 11.229 -16.197 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.526 12.499 -13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.133 12.197 -14.510 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.036 13.105 -16.799 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.914 13.877 -15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.823 15.301 -16.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.801 14.855 -14.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.888 14.107 -15.573 1.00 0.00 H new ATOM 268 N SER A 17 8.729 9.134 -12.239 1.00 0.00 N ATOM 269 CA SER A 17 9.872 9.184 -11.281 1.00 0.00 C ATOM 270 C SER A 17 10.022 7.819 -10.607 1.00 0.00 C ATOM 271 O SER A 17 11.113 7.399 -10.269 1.00 0.00 O ATOM 272 CB SER A 17 9.597 10.253 -10.223 1.00 0.00 C ATOM 273 OG SER A 17 8.294 10.057 -9.689 1.00 0.00 O ATOM 0 H SER A 17 7.830 9.420 -11.852 1.00 0.00 H new ATOM 0 HA SER A 17 10.791 9.430 -11.813 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.341 10.196 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.677 11.247 -10.663 1.00 0.00 H new ATOM 0 HG SER A 17 8.293 9.265 -9.111 1.00 0.00 H new ATOM 279 N ASN A 18 8.929 7.123 -10.417 1.00 0.00 N ATOM 280 CA ASN A 18 8.989 5.778 -9.771 1.00 0.00 C ATOM 281 C ASN A 18 8.916 4.699 -10.854 1.00 0.00 C ATOM 282 O ASN A 18 8.405 3.617 -10.631 1.00 0.00 O ATOM 283 CB ASN A 18 7.807 5.614 -8.810 1.00 0.00 C ATOM 284 CG ASN A 18 7.731 6.824 -7.874 1.00 0.00 C ATOM 285 OD1 ASN A 18 8.608 7.035 -7.063 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.714 7.634 -7.959 1.00 0.00 N ATOM 0 H ASN A 18 7.994 7.431 -10.683 1.00 0.00 H new ATOM 0 HA ASN A 18 9.921 5.682 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.879 5.519 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.923 4.699 -8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.655 8.445 -7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.976 7.457 -8.641 1.00 0.00 H new ATOM 293 N GLU A 19 9.420 4.991 -12.026 1.00 0.00 N ATOM 294 CA GLU A 19 9.382 3.995 -13.135 1.00 0.00 C ATOM 295 C GLU A 19 10.197 2.751 -12.757 1.00 0.00 C ATOM 296 O GLU A 19 10.001 1.687 -13.311 1.00 0.00 O ATOM 297 CB GLU A 19 9.968 4.625 -14.401 1.00 0.00 C ATOM 298 CG GLU A 19 9.470 3.865 -15.638 1.00 0.00 C ATOM 299 CD GLU A 19 10.612 3.038 -16.236 1.00 0.00 C ATOM 300 OE1 GLU A 19 10.942 2.016 -15.657 1.00 0.00 O ATOM 301 OE2 GLU A 19 11.137 3.442 -17.261 1.00 0.00 O ATOM 0 H GLU A 19 9.858 5.881 -12.262 1.00 0.00 H new ATOM 0 HA GLU A 19 8.348 3.699 -13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.676 5.673 -14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.057 4.599 -14.361 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.641 3.212 -15.365 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.091 4.568 -16.380 1.00 0.00 H new ATOM 308 N LYS A 20 11.112 2.876 -11.824 1.00 0.00 N ATOM 309 CA LYS A 20 11.939 1.701 -11.418 1.00 0.00 C ATOM 310 C LYS A 20 11.434 1.145 -10.083 1.00 0.00 C ATOM 311 O LYS A 20 12.196 0.613 -9.299 1.00 0.00 O ATOM 312 CB LYS A 20 13.400 2.135 -11.266 1.00 0.00 C ATOM 313 CG LYS A 20 14.159 1.855 -12.566 1.00 0.00 C ATOM 314 CD LYS A 20 15.594 1.428 -12.243 1.00 0.00 C ATOM 315 CE LYS A 20 16.341 2.590 -11.582 1.00 0.00 C ATOM 316 NZ LYS A 20 17.784 2.527 -11.951 1.00 0.00 N ATOM 0 H LYS A 20 11.320 3.743 -11.328 1.00 0.00 H new ATOM 0 HA LYS A 20 11.862 0.928 -12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.451 3.197 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.865 1.598 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.655 1.072 -13.132 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.167 2.746 -13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.586 0.563 -11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.108 1.125 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.914 3.540 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.229 2.539 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.292 3.316 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.187 1.626 -11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.881 2.596 -12.984 1.00 0.00 H new ATOM 330 N PHE A 21 10.155 1.262 -9.820 1.00 0.00 N ATOM 331 CA PHE A 21 9.601 0.738 -8.535 1.00 0.00 C ATOM 332 C PHE A 21 8.133 0.339 -8.725 1.00 0.00 C ATOM 333 O PHE A 21 7.812 -0.828 -8.844 1.00 0.00 O ATOM 334 CB PHE A 21 9.706 1.816 -7.451 1.00 0.00 C ATOM 335 CG PHE A 21 11.147 1.959 -7.028 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.851 0.844 -6.557 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.779 3.204 -7.110 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.189 0.975 -6.169 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.118 3.336 -6.721 1.00 0.00 C ATOM 340 CZ PHE A 21 13.822 2.221 -6.251 1.00 0.00 C ATOM 0 H PHE A 21 9.472 1.698 -10.440 1.00 0.00 H new ATOM 0 HA PHE A 21 10.173 -0.138 -8.230 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.330 2.767 -7.830 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.088 1.548 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.362 -0.117 -6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.235 4.063 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.733 0.115 -5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.607 4.297 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.855 2.322 -5.951 1.00 0.00 H new ATOM 350 N ILE A 22 7.242 1.300 -8.746 1.00 0.00 N ATOM 351 CA ILE A 22 5.794 0.981 -8.917 1.00 0.00 C ATOM 352 C ILE A 22 5.431 0.968 -10.407 1.00 0.00 C ATOM 353 O ILE A 22 6.078 1.602 -11.219 1.00 0.00 O ATOM 354 CB ILE A 22 4.946 2.023 -8.169 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.472 1.615 -8.235 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.119 3.414 -8.795 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.692 2.317 -7.121 1.00 0.00 C ATOM 0 H ILE A 22 7.457 2.293 -8.652 1.00 0.00 H new ATOM 0 HA ILE A 22 5.590 -0.006 -8.503 1.00 0.00 H new ATOM 0 HB ILE A 22 5.277 2.065 -7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.055 1.879 -9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.379 0.534 -8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.510 4.136 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.167 3.709 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.803 3.386 -9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.643 2.024 -7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.103 2.031 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.774 3.397 -7.245 1.00 0.00 H new ATOM 369 N HIS A 23 4.398 0.247 -10.763 1.00 0.00 N ATOM 370 CA HIS A 23 3.974 0.181 -12.191 1.00 0.00 C ATOM 371 C HIS A 23 2.697 -0.654 -12.299 1.00 0.00 C ATOM 372 O HIS A 23 2.561 -1.678 -11.657 1.00 0.00 O ATOM 373 CB HIS A 23 5.083 -0.466 -13.027 1.00 0.00 C ATOM 374 CG HIS A 23 4.904 -0.101 -14.476 1.00 0.00 C ATOM 375 ND1 HIS A 23 5.541 -0.793 -15.495 1.00 0.00 N ATOM 376 CD2 HIS A 23 4.167 0.879 -15.094 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.178 -0.225 -16.660 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.340 0.798 -16.472 1.00 0.00 N ATOM 0 H HIS A 23 3.828 -0.302 -10.120 1.00 0.00 H new ATOM 0 HA HIS A 23 3.785 1.188 -12.563 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.059 -0.131 -12.676 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.056 -1.549 -12.909 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.547 1.603 -14.587 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.522 -0.556 -17.629 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.918 1.392 -17.185 1.00 0.00 H new ATOM 386 N TRP A 24 1.758 -0.216 -13.098 1.00 0.00 N ATOM 387 CA TRP A 24 0.480 -0.972 -13.245 1.00 0.00 C ATOM 388 C TRP A 24 0.734 -2.304 -13.953 1.00 0.00 C ATOM 389 O TRP A 24 1.834 -2.594 -14.382 1.00 0.00 O ATOM 390 CB TRP A 24 -0.511 -0.150 -14.068 1.00 0.00 C ATOM 391 CG TRP A 24 -0.879 1.087 -13.317 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.231 2.271 -13.405 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.967 1.283 -12.370 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.853 3.182 -12.571 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.928 2.620 -11.910 1.00 0.00 C ATOM 396 CE3 TRP A 24 -2.975 0.438 -11.870 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.857 3.102 -10.986 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -3.912 0.921 -10.940 1.00 0.00 C ATOM 399 CH2 TRP A 24 -3.851 2.250 -10.499 1.00 0.00 C ATOM 0 H TRP A 24 1.823 0.635 -13.656 1.00 0.00 H new ATOM 0 HA TRP A 24 0.069 -1.163 -12.254 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.071 0.113 -15.030 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.403 -0.740 -14.277 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.630 2.472 -14.025 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.554 4.151 -12.458 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.029 -0.588 -12.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.807 4.127 -10.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -4.683 0.265 -10.563 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.572 2.615 -9.783 1.00 0.00 H new ATOM 410 N SER A 25 -0.289 -3.112 -14.080 1.00 0.00 N ATOM 411 CA SER A 25 -0.136 -4.431 -14.760 1.00 0.00 C ATOM 412 C SER A 25 -0.405 -4.261 -16.261 1.00 0.00 C ATOM 413 O SER A 25 -0.298 -3.172 -16.795 1.00 0.00 O ATOM 414 CB SER A 25 -1.133 -5.423 -14.156 1.00 0.00 C ATOM 415 OG SER A 25 -0.636 -6.745 -14.320 1.00 0.00 O ATOM 0 H SER A 25 -1.229 -2.911 -13.739 1.00 0.00 H new ATOM 0 HA SER A 25 0.877 -4.809 -14.621 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.283 -5.207 -13.098 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.103 -5.324 -14.643 1.00 0.00 H new ATOM 0 HG SER A 25 -1.271 -7.383 -13.933 1.00 0.00 H new ATOM 421 N THR A 26 -0.747 -5.326 -16.949 1.00 0.00 N ATOM 422 CA THR A 26 -1.016 -5.231 -18.418 1.00 0.00 C ATOM 423 C THR A 26 -2.123 -4.204 -18.690 1.00 0.00 C ATOM 424 O THR A 26 -3.062 -4.072 -17.930 1.00 0.00 O ATOM 425 CB THR A 26 -1.455 -6.600 -18.942 1.00 0.00 C ATOM 426 OG1 THR A 26 -0.610 -7.607 -18.400 1.00 0.00 O ATOM 427 CG2 THR A 26 -1.360 -6.617 -20.469 1.00 0.00 C ATOM 0 H THR A 26 -0.851 -6.260 -16.553 1.00 0.00 H new ATOM 0 HA THR A 26 -0.105 -4.914 -18.926 1.00 0.00 H new ATOM 0 HB THR A 26 -2.485 -6.792 -18.642 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.891 -8.484 -18.734 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.673 -7.592 -20.842 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.009 -5.845 -20.883 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.330 -6.426 -20.772 1.00 0.00 H new ATOM 435 N SER A 27 -2.010 -3.475 -19.777 1.00 0.00 N ATOM 436 CA SER A 27 -3.037 -2.441 -20.142 1.00 0.00 C ATOM 437 C SER A 27 -3.383 -1.552 -18.940 1.00 0.00 C ATOM 438 O SER A 27 -4.463 -1.000 -18.861 1.00 0.00 O ATOM 439 CB SER A 27 -4.311 -3.125 -20.652 1.00 0.00 C ATOM 440 OG SER A 27 -4.577 -4.286 -19.875 1.00 0.00 O ATOM 0 H SER A 27 -1.237 -3.554 -20.438 1.00 0.00 H new ATOM 0 HA SER A 27 -2.615 -1.813 -20.927 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.153 -2.436 -20.593 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.194 -3.397 -21.701 1.00 0.00 H new ATOM 0 HG SER A 27 -4.484 -4.071 -18.923 1.00 0.00 H new ATOM 446 N GLY A 28 -2.472 -1.404 -18.009 1.00 0.00 N ATOM 447 CA GLY A 28 -2.737 -0.546 -16.810 1.00 0.00 C ATOM 448 C GLY A 28 -4.035 -0.985 -16.116 1.00 0.00 C ATOM 449 O GLY A 28 -5.115 -0.572 -16.497 1.00 0.00 O ATOM 0 H GLY A 28 -1.551 -1.843 -18.028 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.902 -0.616 -16.113 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.813 0.499 -17.112 1.00 0.00 H new ATOM 453 N GLU A 29 -3.939 -1.815 -15.105 1.00 0.00 N ATOM 454 CA GLU A 29 -5.172 -2.276 -14.397 1.00 0.00 C ATOM 455 C GLU A 29 -4.947 -2.265 -12.882 1.00 0.00 C ATOM 456 O GLU A 29 -5.543 -1.480 -12.167 1.00 0.00 O ATOM 457 CB GLU A 29 -5.523 -3.696 -14.848 1.00 0.00 C ATOM 458 CG GLU A 29 -6.899 -4.091 -14.291 1.00 0.00 C ATOM 459 CD GLU A 29 -7.938 -4.072 -15.415 1.00 0.00 C ATOM 460 OE1 GLU A 29 -8.212 -2.998 -15.924 1.00 0.00 O ATOM 461 OE2 GLU A 29 -8.442 -5.132 -15.746 1.00 0.00 O ATOM 0 H GLU A 29 -3.063 -2.191 -14.742 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.992 -1.600 -14.641 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.531 -3.751 -15.937 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.764 -4.397 -14.500 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.850 -5.085 -13.846 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.193 -3.401 -13.500 1.00 0.00 H new ATOM 468 N SER A 30 -4.103 -3.136 -12.385 1.00 0.00 N ATOM 469 CA SER A 30 -3.852 -3.182 -10.914 1.00 0.00 C ATOM 470 C SER A 30 -2.453 -2.651 -10.606 1.00 0.00 C ATOM 471 O SER A 30 -1.644 -2.450 -11.494 1.00 0.00 O ATOM 472 CB SER A 30 -3.969 -4.625 -10.419 1.00 0.00 C ATOM 473 OG SER A 30 -4.859 -5.342 -11.265 1.00 0.00 O ATOM 0 H SER A 30 -3.578 -3.816 -12.935 1.00 0.00 H new ATOM 0 HA SER A 30 -4.591 -2.561 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.989 -5.101 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.334 -4.641 -9.392 1.00 0.00 H new ATOM 0 HG SER A 30 -4.597 -6.286 -11.290 1.00 0.00 H new ATOM 479 N ILE A 31 -2.166 -2.422 -9.350 1.00 0.00 N ATOM 480 CA ILE A 31 -0.823 -1.902 -8.960 1.00 0.00 C ATOM 481 C ILE A 31 0.083 -3.072 -8.567 1.00 0.00 C ATOM 482 O ILE A 31 -0.215 -3.818 -7.654 1.00 0.00 O ATOM 483 CB ILE A 31 -0.980 -0.945 -7.773 1.00 0.00 C ATOM 484 CG1 ILE A 31 -1.939 0.188 -8.168 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.388 -0.355 -7.404 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.160 1.128 -6.979 1.00 0.00 C ATOM 0 H ILE A 31 -2.810 -2.574 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.375 -1.370 -9.799 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.381 -1.485 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.529 0.745 -9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.892 -0.229 -8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.275 0.325 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.070 -1.160 -7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.792 0.190 -8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.841 1.928 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.590 0.569 -6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.206 1.557 -6.672 1.00 0.00 H new ATOM 498 N VAL A 32 1.187 -3.233 -9.250 1.00 0.00 N ATOM 499 CA VAL A 32 2.119 -4.351 -8.922 1.00 0.00 C ATOM 500 C VAL A 32 3.358 -3.790 -8.223 1.00 0.00 C ATOM 501 O VAL A 32 3.957 -2.833 -8.677 1.00 0.00 O ATOM 502 CB VAL A 32 2.541 -5.067 -10.208 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.320 -6.336 -9.853 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.296 -5.445 -11.016 1.00 0.00 C ATOM 0 H VAL A 32 1.483 -2.636 -10.023 1.00 0.00 H new ATOM 0 HA VAL A 32 1.615 -5.059 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 32 3.172 -4.405 -10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.621 -6.846 -10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.207 -6.070 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.688 -6.997 -9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.597 -5.955 -11.931 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.665 -6.107 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.739 -4.543 -11.269 1.00 0.00 H new ATOM 514 N VAL A 33 3.742 -4.379 -7.119 1.00 0.00 N ATOM 515 CA VAL A 33 4.941 -3.885 -6.379 1.00 0.00 C ATOM 516 C VAL A 33 6.050 -4.947 -6.430 1.00 0.00 C ATOM 517 O VAL A 33 6.103 -5.818 -5.581 1.00 0.00 O ATOM 518 CB VAL A 33 4.557 -3.605 -4.921 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.773 -3.080 -4.147 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.445 -2.553 -4.889 1.00 0.00 C ATOM 0 H VAL A 33 3.275 -5.182 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 33 5.304 -2.967 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 33 4.211 -4.529 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.489 -2.884 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.568 -3.825 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.126 -2.157 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.167 -2.349 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.799 -1.635 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.576 -2.925 -5.432 1.00 0.00 H new ATOM 530 N PRO A 34 6.910 -4.836 -7.421 1.00 0.00 N ATOM 531 CA PRO A 34 8.010 -5.825 -7.514 1.00 0.00 C ATOM 532 C PRO A 34 8.999 -5.604 -6.367 1.00 0.00 C ATOM 533 O PRO A 34 9.623 -6.529 -5.883 1.00 0.00 O ATOM 534 CB PRO A 34 8.672 -5.547 -8.865 1.00 0.00 C ATOM 535 CG PRO A 34 8.325 -4.092 -9.222 1.00 0.00 C ATOM 536 CD PRO A 34 7.086 -3.721 -8.390 1.00 0.00 C ATOM 0 HA PRO A 34 7.661 -6.855 -7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.751 -5.686 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.304 -6.233 -9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.158 -3.427 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.120 -3.992 -10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.230 -2.772 -7.874 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.206 -3.609 -9.024 1.00 0.00 H new ATOM 544 N ASN A 35 9.133 -4.377 -5.925 1.00 0.00 N ATOM 545 CA ASN A 35 10.067 -4.071 -4.804 1.00 0.00 C ATOM 546 C ASN A 35 9.342 -3.204 -3.772 1.00 0.00 C ATOM 547 O ASN A 35 9.323 -1.991 -3.872 1.00 0.00 O ATOM 548 CB ASN A 35 11.285 -3.317 -5.341 1.00 0.00 C ATOM 549 CG ASN A 35 12.197 -4.288 -6.092 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.645 -5.271 -5.537 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.495 -4.052 -7.340 1.00 0.00 N ATOM 0 H ASN A 35 8.631 -3.571 -6.297 1.00 0.00 H new ATOM 0 HA ASN A 35 10.397 -4.999 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.965 -2.514 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.829 -2.852 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.104 -4.693 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.119 -3.227 -7.807 1.00 0.00 H new ATOM 558 N ARG A 36 8.740 -3.820 -2.787 1.00 0.00 N ATOM 559 CA ARG A 36 8.004 -3.046 -1.745 1.00 0.00 C ATOM 560 C ARG A 36 8.990 -2.498 -0.708 1.00 0.00 C ATOM 561 O ARG A 36 8.742 -1.486 -0.080 1.00 0.00 O ATOM 562 CB ARG A 36 6.996 -3.966 -1.049 1.00 0.00 C ATOM 563 CG ARG A 36 6.125 -3.146 -0.094 1.00 0.00 C ATOM 564 CD ARG A 36 5.792 -3.986 1.141 1.00 0.00 C ATOM 565 NE ARG A 36 7.052 -4.338 1.857 1.00 0.00 N ATOM 566 CZ ARG A 36 7.034 -5.220 2.818 1.00 0.00 C ATOM 567 NH1 ARG A 36 6.717 -4.861 4.032 1.00 0.00 N ATOM 568 NH2 ARG A 36 7.334 -6.465 2.565 1.00 0.00 N ATOM 0 H ARG A 36 8.727 -4.832 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 36 7.481 -2.214 -2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.371 -4.464 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.521 -4.747 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.648 -2.236 0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.208 -2.838 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.128 -3.431 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.263 -4.892 0.846 1.00 0.00 H new ATOM 0 HE ARG A 36 7.929 -3.888 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.482 -3.889 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.704 -5.553 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.582 -6.747 1.617 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.320 -7.156 3.316 1.00 0.00 H new ATOM 582 N GLU A 37 10.099 -3.165 -0.517 1.00 0.00 N ATOM 583 CA GLU A 37 11.100 -2.695 0.487 1.00 0.00 C ATOM 584 C GLU A 37 11.813 -1.436 -0.024 1.00 0.00 C ATOM 585 O GLU A 37 12.166 -0.562 0.747 1.00 0.00 O ATOM 586 CB GLU A 37 12.130 -3.803 0.749 1.00 0.00 C ATOM 587 CG GLU A 37 12.839 -4.185 -0.555 1.00 0.00 C ATOM 588 CD GLU A 37 13.917 -5.231 -0.265 1.00 0.00 C ATOM 589 OE1 GLU A 37 14.854 -4.907 0.448 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.789 -6.338 -0.762 1.00 0.00 O ATOM 0 H GLU A 37 10.355 -4.018 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 37 10.582 -2.455 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.861 -3.464 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.635 -4.677 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.118 -4.580 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.288 -3.302 -1.009 1.00 0.00 H new ATOM 597 N ARG A 38 12.032 -1.341 -1.310 1.00 0.00 N ATOM 598 CA ARG A 38 12.728 -0.143 -1.870 1.00 0.00 C ATOM 599 C ARG A 38 11.705 0.930 -2.257 1.00 0.00 C ATOM 600 O ARG A 38 12.005 2.107 -2.267 1.00 0.00 O ATOM 601 CB ARG A 38 13.523 -0.557 -3.109 1.00 0.00 C ATOM 602 CG ARG A 38 14.820 -1.250 -2.681 1.00 0.00 C ATOM 603 CD ARG A 38 15.106 -2.425 -3.617 1.00 0.00 C ATOM 604 NE ARG A 38 16.254 -3.211 -3.088 1.00 0.00 N ATOM 605 CZ ARG A 38 16.324 -4.493 -3.313 1.00 0.00 C ATOM 606 NH1 ARG A 38 16.372 -4.936 -4.540 1.00 0.00 N ATOM 607 NH2 ARG A 38 16.345 -5.330 -2.313 1.00 0.00 N ATOM 0 H ARG A 38 11.759 -2.042 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 38 13.401 0.265 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.927 -1.228 -3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.750 0.319 -3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.648 -0.542 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.734 -1.603 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.224 -3.060 -3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.332 -2.060 -4.619 1.00 0.00 H new ATOM 0 HE ARG A 38 16.985 -2.747 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.355 -4.279 -5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.427 -5.939 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.307 -4.981 -1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.400 -6.333 -2.489 1.00 0.00 H new ATOM 621 N PHE A 39 10.504 0.529 -2.583 1.00 0.00 N ATOM 622 CA PHE A 39 9.451 1.513 -2.983 1.00 0.00 C ATOM 623 C PHE A 39 9.181 2.493 -1.828 1.00 0.00 C ATOM 624 O PHE A 39 9.256 3.695 -1.995 1.00 0.00 O ATOM 625 CB PHE A 39 8.165 0.738 -3.344 1.00 0.00 C ATOM 626 CG PHE A 39 6.960 1.662 -3.404 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.627 2.308 -4.599 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.180 1.864 -2.258 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.512 3.154 -4.652 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.067 2.711 -2.309 1.00 0.00 C ATOM 631 CZ PHE A 39 4.732 3.356 -3.506 1.00 0.00 C ATOM 0 H PHE A 39 10.204 -0.446 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 39 9.786 2.088 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.294 0.243 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.990 -0.044 -2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.230 2.154 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.438 1.366 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.254 3.650 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.466 2.867 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.873 4.009 -3.546 1.00 0.00 H new ATOM 641 N VAL A 40 8.835 1.985 -0.674 1.00 0.00 N ATOM 642 CA VAL A 40 8.520 2.876 0.484 1.00 0.00 C ATOM 643 C VAL A 40 9.687 3.829 0.771 1.00 0.00 C ATOM 644 O VAL A 40 9.479 4.978 1.101 1.00 0.00 O ATOM 645 CB VAL A 40 8.250 2.016 1.724 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.799 2.908 2.883 1.00 0.00 C ATOM 647 CG2 VAL A 40 7.147 1.003 1.413 1.00 0.00 C ATOM 0 H VAL A 40 8.756 0.986 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 40 7.639 3.469 0.239 1.00 0.00 H new ATOM 0 HB VAL A 40 9.164 1.492 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.608 2.293 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.581 3.633 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.886 3.434 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.955 0.392 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.236 1.532 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.463 0.363 0.589 1.00 0.00 H new ATOM 657 N GLN A 41 10.903 3.356 0.666 1.00 0.00 N ATOM 658 CA GLN A 41 12.081 4.230 0.962 1.00 0.00 C ATOM 659 C GLN A 41 12.350 5.220 -0.182 1.00 0.00 C ATOM 660 O GLN A 41 12.997 6.232 0.019 1.00 0.00 O ATOM 661 CB GLN A 41 13.320 3.349 1.173 1.00 0.00 C ATOM 662 CG GLN A 41 14.107 3.847 2.388 1.00 0.00 C ATOM 663 CD GLN A 41 14.888 2.684 3.004 1.00 0.00 C ATOM 664 OE1 GLN A 41 15.624 2.002 2.321 1.00 0.00 O ATOM 665 NE2 GLN A 41 14.756 2.430 4.277 1.00 0.00 N ATOM 0 H GLN A 41 11.132 2.402 0.388 1.00 0.00 H new ATOM 0 HA GLN A 41 11.863 4.805 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.019 2.312 1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.951 3.373 0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.792 4.641 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.427 4.273 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.137 3.004 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.272 1.658 4.699 1.00 0.00 H new ATOM 674 N GLU A 42 11.887 4.937 -1.374 1.00 0.00 N ATOM 675 CA GLU A 42 12.150 5.866 -2.516 1.00 0.00 C ATOM 676 C GLU A 42 10.842 6.310 -3.174 1.00 0.00 C ATOM 677 O GLU A 42 10.829 6.692 -4.330 1.00 0.00 O ATOM 678 CB GLU A 42 13.017 5.154 -3.556 1.00 0.00 C ATOM 679 CG GLU A 42 14.476 5.171 -3.102 1.00 0.00 C ATOM 680 CD GLU A 42 15.284 4.178 -3.940 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.649 4.530 -5.050 1.00 0.00 O ATOM 682 OE2 GLU A 42 15.523 3.084 -3.457 1.00 0.00 O ATOM 0 H GLU A 42 11.341 4.107 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 42 12.664 6.748 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.678 4.126 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.921 5.646 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.889 6.174 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.542 4.910 -2.046 1.00 0.00 H new ATOM 689 N VAL A 43 9.744 6.269 -2.460 1.00 0.00 N ATOM 690 CA VAL A 43 8.442 6.696 -3.069 1.00 0.00 C ATOM 691 C VAL A 43 7.487 7.252 -1.997 1.00 0.00 C ATOM 692 O VAL A 43 6.710 8.149 -2.269 1.00 0.00 O ATOM 693 CB VAL A 43 7.778 5.505 -3.778 1.00 0.00 C ATOM 694 CG1 VAL A 43 6.547 5.994 -4.544 1.00 0.00 C ATOM 695 CG2 VAL A 43 8.765 4.877 -4.765 1.00 0.00 C ATOM 0 H VAL A 43 9.691 5.961 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 43 8.650 7.484 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 43 7.483 4.763 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.074 5.151 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.840 6.444 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.849 6.736 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.291 4.033 -5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.061 5.620 -5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.647 4.531 -4.227 1.00 0.00 H new ATOM 705 N LEU A 44 7.515 6.722 -0.796 1.00 0.00 N ATOM 706 CA LEU A 44 6.585 7.219 0.265 1.00 0.00 C ATOM 707 C LEU A 44 6.976 8.629 0.749 1.00 0.00 C ATOM 708 O LEU A 44 6.103 9.446 0.979 1.00 0.00 O ATOM 709 CB LEU A 44 6.600 6.244 1.446 1.00 0.00 C ATOM 710 CG LEU A 44 5.345 6.443 2.300 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.094 6.106 1.482 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.414 5.521 3.518 1.00 0.00 C ATOM 0 H LEU A 44 8.140 5.969 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 44 5.583 7.280 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.644 5.218 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.492 6.406 2.051 1.00 0.00 H new ATOM 0 HG LEU A 44 5.292 7.483 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.207 6.251 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.042 6.760 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.143 5.068 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.522 5.659 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.470 4.484 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.299 5.762 4.107 1.00 0.00 H new ATOM 724 N PRO A 45 8.262 8.879 0.904 1.00 0.00 N ATOM 725 CA PRO A 45 8.655 10.232 1.383 1.00 0.00 C ATOM 726 C PRO A 45 8.724 11.243 0.229 1.00 0.00 C ATOM 727 O PRO A 45 8.748 12.439 0.454 1.00 0.00 O ATOM 728 CB PRO A 45 10.039 10.042 2.005 1.00 0.00 C ATOM 729 CG PRO A 45 10.621 8.772 1.368 1.00 0.00 C ATOM 730 CD PRO A 45 9.423 7.953 0.862 1.00 0.00 C ATOM 0 HA PRO A 45 7.927 10.630 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.676 10.904 1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.969 9.938 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.295 9.022 0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.201 8.203 2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.597 7.588 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.251 7.080 1.491 1.00 0.00 H new ATOM 738 N LYS A 46 8.761 10.781 -0.997 1.00 0.00 N ATOM 739 CA LYS A 46 8.835 11.729 -2.152 1.00 0.00 C ATOM 740 C LYS A 46 7.469 12.379 -2.415 1.00 0.00 C ATOM 741 O LYS A 46 7.345 13.220 -3.286 1.00 0.00 O ATOM 742 CB LYS A 46 9.278 10.972 -3.405 1.00 0.00 C ATOM 743 CG LYS A 46 9.999 11.934 -4.360 1.00 0.00 C ATOM 744 CD LYS A 46 11.290 11.287 -4.873 1.00 0.00 C ATOM 745 CE LYS A 46 11.777 12.044 -6.112 1.00 0.00 C ATOM 746 NZ LYS A 46 12.549 13.253 -5.695 1.00 0.00 N ATOM 0 H LYS A 46 8.743 9.792 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 46 9.555 12.511 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.941 10.151 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.413 10.532 -3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.349 12.184 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.229 12.867 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.054 11.308 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.113 10.240 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.403 11.394 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.927 12.338 -6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.877 13.763 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.939 13.877 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.369 12.962 -5.126 1.00 0.00 H new ATOM 760 N TYR A 47 6.442 12.002 -1.685 1.00 0.00 N ATOM 761 CA TYR A 47 5.098 12.607 -1.921 1.00 0.00 C ATOM 762 C TYR A 47 4.430 12.937 -0.583 1.00 0.00 C ATOM 763 O TYR A 47 3.852 13.996 -0.415 1.00 0.00 O ATOM 764 CB TYR A 47 4.231 11.613 -2.695 1.00 0.00 C ATOM 765 CG TYR A 47 4.789 11.442 -4.087 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.923 10.644 -4.300 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.174 12.086 -5.168 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.436 10.492 -5.592 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.689 11.932 -6.459 1.00 0.00 C ATOM 770 CZ TYR A 47 5.821 11.136 -6.672 1.00 0.00 C ATOM 771 OH TYR A 47 6.330 10.986 -7.946 1.00 0.00 O ATOM 0 H TYR A 47 6.480 11.305 -0.941 1.00 0.00 H new ATOM 0 HA TYR A 47 5.210 13.526 -2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.209 10.653 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.203 11.971 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.399 10.148 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.302 12.702 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.308 9.877 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.213 12.427 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 47 7.171 10.484 -7.905 1.00 0.00 H new ATOM 781 N PHE A 48 4.497 12.037 0.365 1.00 0.00 N ATOM 782 CA PHE A 48 3.859 12.289 1.692 1.00 0.00 C ATOM 783 C PHE A 48 4.909 12.785 2.692 1.00 0.00 C ATOM 784 O PHE A 48 4.833 13.898 3.166 1.00 0.00 O ATOM 785 CB PHE A 48 3.236 10.991 2.211 1.00 0.00 C ATOM 786 CG PHE A 48 2.287 10.440 1.171 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.766 9.582 0.173 1.00 0.00 C ATOM 788 CD2 PHE A 48 0.932 10.788 1.204 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.890 9.071 -0.791 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.054 10.276 0.239 1.00 0.00 C ATOM 791 CZ PHE A 48 0.534 9.419 -0.758 1.00 0.00 C ATOM 0 H PHE A 48 4.967 11.136 0.277 1.00 0.00 H new ATOM 0 HA PHE A 48 3.086 13.049 1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.016 10.262 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.703 11.178 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.812 9.315 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.563 11.451 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.259 8.409 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.992 10.543 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.142 9.026 -1.503 1.00 0.00 H new ATOM 801 N LYS A 49 5.881 11.951 3.005 1.00 0.00 N ATOM 802 CA LYS A 49 6.976 12.311 3.981 1.00 0.00 C ATOM 803 C LYS A 49 6.513 12.006 5.420 1.00 0.00 C ATOM 804 O LYS A 49 7.212 11.357 6.176 1.00 0.00 O ATOM 805 CB LYS A 49 7.435 13.795 3.801 1.00 0.00 C ATOM 806 CG LYS A 49 6.930 14.721 4.929 1.00 0.00 C ATOM 807 CD LYS A 49 7.461 16.141 4.708 1.00 0.00 C ATOM 808 CE LYS A 49 6.840 16.745 3.444 1.00 0.00 C ATOM 809 NZ LYS A 49 6.078 17.973 3.809 1.00 0.00 N ATOM 0 H LYS A 49 5.964 11.012 2.616 1.00 0.00 H new ATOM 0 HA LYS A 49 7.853 11.697 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.524 13.832 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.074 14.168 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.840 14.728 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.261 14.345 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.226 16.764 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.547 16.121 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.620 16.988 2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.179 16.021 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.655 18.386 2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.325 17.727 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.721 18.664 4.245 1.00 0.00 H new ATOM 823 N HIS A 50 5.352 12.476 5.800 1.00 0.00 N ATOM 824 CA HIS A 50 4.853 12.223 7.183 1.00 0.00 C ATOM 825 C HIS A 50 3.799 11.110 7.157 1.00 0.00 C ATOM 826 O HIS A 50 2.661 11.306 7.544 1.00 0.00 O ATOM 827 CB HIS A 50 4.238 13.511 7.737 1.00 0.00 C ATOM 828 CG HIS A 50 5.336 14.467 8.118 1.00 0.00 C ATOM 829 ND1 HIS A 50 5.334 15.792 7.715 1.00 0.00 N ATOM 830 CD2 HIS A 50 6.477 14.303 8.864 1.00 0.00 C ATOM 831 CE1 HIS A 50 6.441 16.370 8.215 1.00 0.00 C ATOM 832 NE2 HIS A 50 7.174 15.506 8.924 1.00 0.00 N ATOM 0 H HIS A 50 4.728 13.025 5.209 1.00 0.00 H new ATOM 0 HA HIS A 50 5.680 11.911 7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.587 13.966 6.990 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.619 13.287 8.605 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.786 13.381 9.333 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.705 17.406 8.062 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.054 15.689 9.405 1.00 0.00 H new ATOM 840 N SER A 51 4.173 9.940 6.701 1.00 0.00 N ATOM 841 CA SER A 51 3.203 8.806 6.648 1.00 0.00 C ATOM 842 C SER A 51 3.963 7.481 6.560 1.00 0.00 C ATOM 843 O SER A 51 5.135 7.446 6.234 1.00 0.00 O ATOM 844 CB SER A 51 2.304 8.962 5.420 1.00 0.00 C ATOM 845 OG SER A 51 1.319 7.937 5.426 1.00 0.00 O ATOM 0 H SER A 51 5.110 9.722 6.363 1.00 0.00 H new ATOM 0 HA SER A 51 2.592 8.811 7.550 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.826 9.942 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.900 8.904 4.509 1.00 0.00 H new ATOM 0 HG SER A 51 0.740 8.035 4.641 1.00 0.00 H new ATOM 851 N ASN A 52 3.301 6.389 6.850 1.00 0.00 N ATOM 852 CA ASN A 52 3.973 5.058 6.787 1.00 0.00 C ATOM 853 C ASN A 52 3.278 4.187 5.739 1.00 0.00 C ATOM 854 O ASN A 52 2.160 4.456 5.342 1.00 0.00 O ATOM 855 CB ASN A 52 3.881 4.378 8.155 1.00 0.00 C ATOM 856 CG ASN A 52 4.511 5.283 9.215 1.00 0.00 C ATOM 857 OD1 ASN A 52 3.860 5.671 10.165 1.00 0.00 O ATOM 858 ND2 ASN A 52 5.760 5.639 9.093 1.00 0.00 N ATOM 0 H ASN A 52 2.320 6.364 7.129 1.00 0.00 H new ATOM 0 HA ASN A 52 5.020 5.190 6.515 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.839 4.178 8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.394 3.416 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.189 6.242 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.307 5.314 8.296 1.00 0.00 H new ATOM 865 N PHE A 53 3.932 3.144 5.283 1.00 0.00 N ATOM 866 CA PHE A 53 3.314 2.247 4.254 1.00 0.00 C ATOM 867 C PHE A 53 1.961 1.727 4.752 1.00 0.00 C ATOM 868 O PHE A 53 1.043 1.526 3.979 1.00 0.00 O ATOM 869 CB PHE A 53 4.244 1.061 3.970 1.00 0.00 C ATOM 870 CG PHE A 53 4.678 0.412 5.266 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.831 -0.495 5.916 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.931 0.714 5.813 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.236 -1.097 7.113 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.336 0.110 7.009 1.00 0.00 C ATOM 875 CZ PHE A 53 5.489 -0.794 7.660 1.00 0.00 C ATOM 0 H PHE A 53 4.870 2.875 5.580 1.00 0.00 H new ATOM 0 HA PHE A 53 3.163 2.817 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.732 0.331 3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.118 1.401 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.865 -0.730 5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.585 1.413 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.582 -1.795 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.303 0.342 7.430 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.802 -1.258 8.584 1.00 0.00 H new ATOM 885 N ALA A 54 1.834 1.509 6.037 1.00 0.00 N ATOM 886 CA ALA A 54 0.543 1.005 6.590 1.00 0.00 C ATOM 887 C ALA A 54 -0.550 2.054 6.367 1.00 0.00 C ATOM 888 O ALA A 54 -1.668 1.733 6.005 1.00 0.00 O ATOM 889 CB ALA A 54 0.700 0.735 8.087 1.00 0.00 C ATOM 0 H ALA A 54 2.570 1.659 6.727 1.00 0.00 H new ATOM 0 HA ALA A 54 0.265 0.080 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.243 0.367 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.478 -0.013 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.977 1.658 8.596 1.00 0.00 H new ATOM 895 N SER A 55 -0.231 3.308 6.575 1.00 0.00 N ATOM 896 CA SER A 55 -1.243 4.388 6.377 1.00 0.00 C ATOM 897 C SER A 55 -1.690 4.407 4.914 1.00 0.00 C ATOM 898 O SER A 55 -2.863 4.530 4.615 1.00 0.00 O ATOM 899 CB SER A 55 -0.627 5.741 6.738 1.00 0.00 C ATOM 900 OG SER A 55 -1.621 6.568 7.328 1.00 0.00 O ATOM 0 H SER A 55 0.690 3.629 6.874 1.00 0.00 H new ATOM 0 HA SER A 55 -2.104 4.199 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.204 5.602 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.223 6.219 5.846 1.00 0.00 H new ATOM 0 HG SER A 55 -1.229 7.435 7.562 1.00 0.00 H new ATOM 906 N PHE A 56 -0.759 4.284 4.002 1.00 0.00 N ATOM 907 CA PHE A 56 -1.115 4.292 2.550 1.00 0.00 C ATOM 908 C PHE A 56 -2.084 3.145 2.251 1.00 0.00 C ATOM 909 O PHE A 56 -2.988 3.277 1.445 1.00 0.00 O ATOM 910 CB PHE A 56 0.156 4.117 1.717 1.00 0.00 C ATOM 911 CG PHE A 56 -0.119 4.526 0.292 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.887 3.699 -0.535 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.391 5.731 -0.202 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.146 4.078 -1.857 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.132 6.111 -1.523 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.636 5.285 -2.351 1.00 0.00 C ATOM 0 H PHE A 56 0.236 4.178 4.201 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.591 5.240 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.962 4.722 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.487 3.079 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.280 2.768 -0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.985 6.368 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.739 3.440 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.525 7.042 -1.904 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.835 5.578 -3.371 1.00 0.00 H new ATOM 926 N VAL A 57 -1.904 2.023 2.902 1.00 0.00 N ATOM 927 CA VAL A 57 -2.811 0.862 2.668 1.00 0.00 C ATOM 928 C VAL A 57 -4.228 1.227 3.127 1.00 0.00 C ATOM 929 O VAL A 57 -5.205 0.840 2.513 1.00 0.00 O ATOM 930 CB VAL A 57 -2.312 -0.352 3.460 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.173 -1.572 3.127 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.853 -0.645 3.091 1.00 0.00 C ATOM 0 H VAL A 57 -1.165 1.862 3.587 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.821 0.617 1.606 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.381 -0.137 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.816 -2.434 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.210 -1.369 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.106 -1.784 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.501 -1.508 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.783 -0.856 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.236 0.221 3.331 1.00 0.00 H new ATOM 942 N ARG A 58 -4.342 1.965 4.203 1.00 0.00 N ATOM 943 CA ARG A 58 -5.692 2.355 4.711 1.00 0.00 C ATOM 944 C ARG A 58 -6.386 3.272 3.699 1.00 0.00 C ATOM 945 O ARG A 58 -7.569 3.143 3.447 1.00 0.00 O ATOM 946 CB ARG A 58 -5.545 3.091 6.046 1.00 0.00 C ATOM 947 CG ARG A 58 -6.708 2.715 6.971 1.00 0.00 C ATOM 948 CD ARG A 58 -6.210 2.623 8.416 1.00 0.00 C ATOM 949 NE ARG A 58 -6.519 3.893 9.130 1.00 0.00 N ATOM 950 CZ ARG A 58 -5.823 4.234 10.180 1.00 0.00 C ATOM 951 NH1 ARG A 58 -4.546 4.466 10.066 1.00 0.00 N ATOM 952 NH2 ARG A 58 -6.406 4.341 11.342 1.00 0.00 N ATOM 0 H ARG A 58 -3.557 2.315 4.752 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.292 1.456 4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.596 2.830 6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.533 4.168 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.500 3.460 6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.137 1.762 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.686 1.783 8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.136 2.437 8.431 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.273 4.495 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.091 4.381 9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.001 4.733 10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.406 4.158 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.862 4.607 12.163 1.00 0.00 H new ATOM 966 N GLN A 59 -5.662 4.197 3.118 1.00 0.00 N ATOM 967 CA GLN A 59 -6.280 5.125 2.123 1.00 0.00 C ATOM 968 C GLN A 59 -6.826 4.329 0.936 1.00 0.00 C ATOM 969 O GLN A 59 -7.886 4.625 0.418 1.00 0.00 O ATOM 970 CB GLN A 59 -5.231 6.120 1.619 1.00 0.00 C ATOM 971 CG GLN A 59 -5.074 7.267 2.621 1.00 0.00 C ATOM 972 CD GLN A 59 -4.049 6.882 3.688 1.00 0.00 C ATOM 973 OE1 GLN A 59 -4.409 6.485 4.778 1.00 0.00 O ATOM 974 NE2 GLN A 59 -2.775 6.987 3.418 1.00 0.00 N ATOM 0 H GLN A 59 -4.668 4.349 3.291 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.095 5.665 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.275 5.614 1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.528 6.513 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.754 8.172 2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.034 7.489 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.474 7.320 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.082 6.735 4.123 1.00 0.00 H new ATOM 983 N LEU A 60 -6.106 3.330 0.495 1.00 0.00 N ATOM 984 CA LEU A 60 -6.578 2.524 -0.671 1.00 0.00 C ATOM 985 C LEU A 60 -7.904 1.834 -0.334 1.00 0.00 C ATOM 986 O LEU A 60 -8.852 1.900 -1.089 1.00 0.00 O ATOM 987 CB LEU A 60 -5.526 1.468 -1.021 1.00 0.00 C ATOM 988 CG LEU A 60 -4.279 2.156 -1.583 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.128 1.150 -1.651 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.575 2.694 -2.990 1.00 0.00 C ATOM 0 H LEU A 60 -5.213 3.038 0.891 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.730 3.187 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.267 0.890 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.928 0.767 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.000 2.985 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.240 1.640 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.915 0.773 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.408 0.320 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.685 3.183 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.857 1.868 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.393 3.413 -2.940 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.970 1.165 0.786 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.228 0.455 1.172 1.00 0.00 C ATOM 1004 C ASN A 61 -10.323 1.456 1.570 1.00 0.00 C ATOM 1005 O ASN A 61 -11.484 1.101 1.654 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.936 -0.467 2.358 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.534 -1.848 1.842 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -9.363 -2.725 1.705 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -7.284 -2.080 1.546 1.00 0.00 N ATOM 0 H ASN A 61 -7.204 1.078 1.454 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.580 -0.122 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.137 -0.049 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.816 -0.547 2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.004 -2.998 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.588 -1.344 1.661 1.00 0.00 H new ATOM 1016 N MET A 62 -9.971 2.692 1.832 1.00 0.00 N ATOM 1017 CA MET A 62 -11.001 3.695 2.240 1.00 0.00 C ATOM 1018 C MET A 62 -11.575 4.423 1.018 1.00 0.00 C ATOM 1019 O MET A 62 -12.626 5.033 1.099 1.00 0.00 O ATOM 1020 CB MET A 62 -10.365 4.717 3.187 1.00 0.00 C ATOM 1021 CG MET A 62 -11.462 5.427 3.998 1.00 0.00 C ATOM 1022 SD MET A 62 -11.008 5.472 5.753 1.00 0.00 S ATOM 1023 CE MET A 62 -11.641 7.130 6.105 1.00 0.00 C ATOM 0 H MET A 62 -9.016 3.048 1.781 1.00 0.00 H new ATOM 0 HA MET A 62 -11.814 3.171 2.743 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.667 4.218 3.860 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.791 5.447 2.617 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.602 6.441 3.624 1.00 0.00 H new ATOM 0 HG3 MET A 62 -12.412 4.907 3.873 1.00 0.00 H new ATOM 0 HE1 MET A 62 -11.464 7.372 7.153 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.129 7.856 5.474 1.00 0.00 H new ATOM 0 HE3 MET A 62 -12.711 7.162 5.901 1.00 0.00 H new ATOM 1033 N TYR A 63 -10.899 4.379 -0.105 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.416 5.085 -1.315 1.00 0.00 C ATOM 1035 C TYR A 63 -12.094 4.089 -2.259 1.00 0.00 C ATOM 1036 O TYR A 63 -13.185 4.329 -2.742 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.254 5.768 -2.039 1.00 0.00 C ATOM 1038 CG TYR A 63 -9.867 7.020 -1.289 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -10.809 8.035 -1.087 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.567 7.163 -0.788 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.451 9.193 -0.387 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.211 8.320 -0.086 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.152 9.335 0.115 1.00 0.00 C ATOM 1044 OH TYR A 63 -8.799 10.476 0.806 1.00 0.00 O ATOM 0 H TYR A 63 -10.015 3.886 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.147 5.832 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.402 5.091 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.542 6.016 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.812 7.925 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.839 6.380 -0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.177 9.977 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.209 8.429 0.301 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.862 10.412 1.086 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.459 2.978 -2.524 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.067 1.967 -3.440 1.00 0.00 C ATOM 1056 C GLY A 64 -10.991 0.993 -3.924 1.00 0.00 C ATOM 1057 O GLY A 64 -10.684 0.929 -5.100 1.00 0.00 O ATOM 0 H GLY A 64 -10.546 2.726 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.857 1.423 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.529 2.466 -4.292 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.422 0.231 -3.025 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.369 -0.748 -3.420 1.00 0.00 C ATOM 1063 C TRP A 65 -9.433 -1.957 -2.483 1.00 0.00 C ATOM 1064 O TRP A 65 -9.952 -1.872 -1.386 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.990 -0.092 -3.315 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.879 0.997 -4.334 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.064 2.316 -4.089 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.562 0.886 -5.751 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.879 3.019 -5.266 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.568 2.181 -6.318 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -7.271 -0.205 -6.590 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.297 2.387 -7.672 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.997 -0.001 -7.952 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -7.010 1.292 -8.491 1.00 0.00 C ATOM 0 H TRP A 65 -10.644 0.246 -2.030 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.535 -1.069 -4.448 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.844 0.315 -2.314 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.209 -0.835 -3.474 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.315 2.748 -3.132 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.962 4.032 -5.347 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.258 -1.206 -6.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.309 3.386 -8.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.775 -0.846 -8.588 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.798 1.442 -9.539 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.913 -3.080 -2.910 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.945 -4.299 -2.051 1.00 0.00 C ATOM 1087 C HIS A 66 -7.570 -4.971 -2.058 1.00 0.00 C ATOM 1088 O HIS A 66 -7.018 -5.266 -3.100 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.997 -5.270 -2.589 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.366 -4.715 -2.307 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -12.123 -5.133 -1.224 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -12.120 -3.765 -2.949 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -13.276 -4.441 -1.247 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -13.327 -3.594 -2.278 1.00 0.00 N ATOM 0 H HIS A 66 -8.467 -3.204 -3.819 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.199 -4.018 -1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.863 -5.414 -3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.883 -6.247 -2.119 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.822 -3.231 -3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.066 -4.556 -0.519 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.087 -2.959 -2.521 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.016 -5.208 -0.895 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.671 -5.855 -0.813 1.00 0.00 C ATOM 1104 C LYS A 67 -5.826 -7.382 -0.837 1.00 0.00 C ATOM 1105 O LYS A 67 -5.617 -8.055 0.157 1.00 0.00 O ATOM 1106 CB LYS A 67 -4.968 -5.426 0.483 1.00 0.00 C ATOM 1107 CG LYS A 67 -5.894 -5.657 1.680 1.00 0.00 C ATOM 1108 CD LYS A 67 -5.058 -5.923 2.935 1.00 0.00 C ATOM 1109 CE LYS A 67 -5.983 -6.133 4.140 1.00 0.00 C ATOM 1110 NZ LYS A 67 -6.001 -4.899 4.976 1.00 0.00 N ATOM 0 H LYS A 67 -7.440 -4.980 0.005 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.071 -5.543 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.046 -5.993 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.690 -4.374 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.531 -4.786 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.553 -6.503 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.433 -6.804 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.388 -5.084 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.991 -6.369 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.639 -6.981 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.628 -5.042 5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.038 -4.692 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.349 -4.100 4.408 1.00 0.00 H new ATOM 1124 N VAL A 68 -6.180 -7.929 -1.972 1.00 0.00 N ATOM 1125 CA VAL A 68 -6.339 -9.409 -2.080 1.00 0.00 C ATOM 1126 C VAL A 68 -5.067 -10.004 -2.694 1.00 0.00 C ATOM 1127 O VAL A 68 -4.613 -9.573 -3.737 1.00 0.00 O ATOM 1128 CB VAL A 68 -7.548 -9.732 -2.967 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -8.821 -9.212 -2.293 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -7.385 -9.066 -4.345 1.00 0.00 C ATOM 0 H VAL A 68 -6.366 -7.412 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.501 -9.838 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.617 -10.811 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.683 -9.439 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.941 -9.693 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.746 -8.133 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.248 -9.301 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.311 -7.986 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.480 -9.439 -4.824 1.00 0.00 H new ATOM 1140 N GLN A 69 -4.484 -10.982 -2.048 1.00 0.00 N ATOM 1141 CA GLN A 69 -3.232 -11.597 -2.583 1.00 0.00 C ATOM 1142 C GLN A 69 -3.508 -13.027 -3.052 1.00 0.00 C ATOM 1143 O GLN A 69 -2.674 -13.899 -2.905 1.00 0.00 O ATOM 1144 CB GLN A 69 -2.167 -11.617 -1.484 1.00 0.00 C ATOM 1145 CG GLN A 69 -1.489 -10.245 -1.399 1.00 0.00 C ATOM 1146 CD GLN A 69 -1.259 -9.872 0.066 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -0.141 -9.623 0.474 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -2.276 -9.822 0.880 1.00 0.00 N ATOM 0 H GLN A 69 -4.822 -11.381 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.878 -11.008 -3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.623 -11.868 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.426 -12.388 -1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.539 -10.265 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.110 -9.491 -1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.214 -10.031 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.134 -9.574 1.859 1.00 0.00 H new ATOM 1157 N ASP A 70 -4.675 -13.260 -3.624 1.00 0.00 N ATOM 1158 CA ASP A 70 -5.067 -14.625 -4.135 1.00 0.00 C ATOM 1159 C ASP A 70 -5.606 -15.484 -2.984 1.00 0.00 C ATOM 1160 O ASP A 70 -6.762 -15.862 -2.978 1.00 0.00 O ATOM 1161 CB ASP A 70 -3.876 -15.341 -4.804 1.00 0.00 C ATOM 1162 CG ASP A 70 -4.332 -15.999 -6.108 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -4.622 -15.273 -7.045 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -4.385 -17.217 -6.147 1.00 0.00 O ATOM 0 H ASP A 70 -5.389 -12.544 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.846 -14.488 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.078 -14.627 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.467 -16.094 -4.130 1.00 0.00 H new ATOM 1169 N VAL A 71 -4.781 -15.799 -2.015 1.00 0.00 N ATOM 1170 CA VAL A 71 -5.235 -16.638 -0.862 1.00 0.00 C ATOM 1171 C VAL A 71 -5.568 -18.046 -1.355 1.00 0.00 C ATOM 1172 O VAL A 71 -6.687 -18.336 -1.733 1.00 0.00 O ATOM 1173 CB VAL A 71 -6.474 -16.022 -0.198 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -6.729 -16.724 1.138 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -6.242 -14.526 0.047 1.00 0.00 C ATOM 0 H VAL A 71 -3.804 -15.508 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.432 -16.683 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.337 -16.148 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.608 -16.291 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.897 -17.787 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.863 -16.595 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.124 -14.093 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.380 -14.394 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.057 -14.026 -0.904 1.00 0.00 H new ATOM 1185 N LYS A 72 -4.597 -18.918 -1.347 1.00 0.00 N ATOM 1186 CA LYS A 72 -4.822 -20.317 -1.806 1.00 0.00 C ATOM 1187 C LYS A 72 -3.563 -21.132 -1.507 1.00 0.00 C ATOM 1188 O LYS A 72 -3.572 -22.028 -0.683 1.00 0.00 O ATOM 1189 CB LYS A 72 -5.102 -20.326 -3.315 1.00 0.00 C ATOM 1190 CG LYS A 72 -6.612 -20.458 -3.565 1.00 0.00 C ATOM 1191 CD LYS A 72 -6.875 -21.508 -4.655 1.00 0.00 C ATOM 1192 CE LYS A 72 -7.215 -20.814 -5.977 1.00 0.00 C ATOM 1193 NZ LYS A 72 -5.958 -20.367 -6.642 1.00 0.00 N ATOM 0 H LYS A 72 -3.646 -18.717 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.678 -20.750 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.728 -19.408 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.573 -21.154 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.118 -20.745 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.024 -19.496 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.997 -22.141 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.696 -22.159 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.761 -21.497 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.866 -19.959 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.189 -19.896 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.454 -19.702 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.352 -21.191 -6.830 1.00 0.00 H new ATOM 1207 N SER A 73 -2.478 -20.813 -2.163 1.00 0.00 N ATOM 1208 CA SER A 73 -1.202 -21.547 -1.919 1.00 0.00 C ATOM 1209 C SER A 73 -0.428 -20.833 -0.806 1.00 0.00 C ATOM 1210 O SER A 73 0.620 -20.256 -1.031 1.00 0.00 O ATOM 1211 CB SER A 73 -0.373 -21.565 -3.206 1.00 0.00 C ATOM 1212 OG SER A 73 0.714 -22.467 -3.053 1.00 0.00 O ATOM 0 H SER A 73 -2.421 -20.071 -2.861 1.00 0.00 H new ATOM 0 HA SER A 73 -1.410 -22.574 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.995 -21.867 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.002 -20.564 -3.427 1.00 0.00 H new ATOM 0 HG SER A 73 1.245 -22.481 -3.876 1.00 0.00 H new ATOM 1218 N GLY A 74 -0.947 -20.865 0.395 1.00 0.00 N ATOM 1219 CA GLY A 74 -0.265 -20.187 1.536 1.00 0.00 C ATOM 1220 C GLY A 74 0.744 -21.140 2.174 1.00 0.00 C ATOM 1221 O GLY A 74 0.548 -21.622 3.273 1.00 0.00 O ATOM 0 H GLY A 74 -1.820 -21.335 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.241 -19.287 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.000 -19.872 2.276 1.00 0.00 H new ATOM 1225 N SER A 75 1.822 -21.412 1.487 1.00 0.00 N ATOM 1226 CA SER A 75 2.854 -22.335 2.042 1.00 0.00 C ATOM 1227 C SER A 75 4.243 -21.702 1.910 1.00 0.00 C ATOM 1228 O SER A 75 5.060 -21.795 2.806 1.00 0.00 O ATOM 1229 CB SER A 75 2.822 -23.656 1.273 1.00 0.00 C ATOM 1230 OG SER A 75 2.879 -23.388 -0.121 1.00 0.00 O ATOM 0 H SER A 75 2.032 -21.034 0.563 1.00 0.00 H new ATOM 0 HA SER A 75 2.642 -22.519 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.663 -24.283 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.913 -24.208 1.512 1.00 0.00 H new ATOM 0 HG SER A 75 2.860 -24.233 -0.618 1.00 0.00 H new ATOM 1236 N MET A 76 4.518 -21.064 0.798 1.00 0.00 N ATOM 1237 CA MET A 76 5.856 -20.430 0.605 1.00 0.00 C ATOM 1238 C MET A 76 5.680 -18.991 0.112 1.00 0.00 C ATOM 1239 O MET A 76 6.058 -18.047 0.779 1.00 0.00 O ATOM 1240 CB MET A 76 6.648 -21.231 -0.430 1.00 0.00 C ATOM 1241 CG MET A 76 8.072 -20.681 -0.525 1.00 0.00 C ATOM 1242 SD MET A 76 9.101 -21.831 -1.473 1.00 0.00 S ATOM 1243 CE MET A 76 9.187 -20.858 -2.997 1.00 0.00 C ATOM 0 H MET A 76 3.872 -20.956 0.016 1.00 0.00 H new ATOM 0 HA MET A 76 6.394 -20.421 1.553 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.672 -22.284 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.159 -21.172 -1.402 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.064 -19.703 -1.005 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.487 -20.543 0.473 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.787 -21.390 -3.735 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.181 -20.705 -3.388 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.645 -19.892 -2.786 1.00 0.00 H new ATOM 1253 N LEU A 77 5.113 -18.821 -1.056 1.00 0.00 N ATOM 1254 CA LEU A 77 4.909 -17.446 -1.609 1.00 0.00 C ATOM 1255 C LEU A 77 4.022 -16.631 -0.663 1.00 0.00 C ATOM 1256 O LEU A 77 3.694 -17.065 0.425 1.00 0.00 O ATOM 1257 CB LEU A 77 4.239 -17.546 -2.986 1.00 0.00 C ATOM 1258 CG LEU A 77 2.990 -18.440 -2.894 1.00 0.00 C ATOM 1259 CD1 LEU A 77 1.810 -17.751 -3.587 1.00 0.00 C ATOM 1260 CD2 LEU A 77 3.263 -19.797 -3.568 1.00 0.00 C ATOM 0 H LEU A 77 4.781 -19.578 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 77 5.874 -16.950 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.961 -16.553 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.940 -17.958 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 77 2.748 -18.605 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.927 -18.387 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.608 -16.797 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.054 -17.578 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.374 -20.423 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.514 -19.638 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.095 -20.291 -3.067 1.00 0.00 H new ATOM 1272 N SER A 78 3.632 -15.446 -1.073 1.00 0.00 N ATOM 1273 CA SER A 78 2.765 -14.583 -0.210 1.00 0.00 C ATOM 1274 C SER A 78 3.528 -14.185 1.056 1.00 0.00 C ATOM 1275 O SER A 78 3.706 -14.986 1.952 1.00 0.00 O ATOM 1276 CB SER A 78 1.491 -15.341 0.176 1.00 0.00 C ATOM 1277 OG SER A 78 1.063 -16.133 -0.923 1.00 0.00 O ATOM 0 H SER A 78 3.879 -15.038 -1.975 1.00 0.00 H new ATOM 0 HA SER A 78 2.493 -13.686 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.680 -15.974 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.708 -14.638 0.459 1.00 0.00 H new ATOM 0 HG SER A 78 0.249 -16.620 -0.678 1.00 0.00 H new ATOM 1283 N ASN A 79 3.964 -12.940 1.126 1.00 0.00 N ATOM 1284 CA ASN A 79 4.724 -12.409 2.318 1.00 0.00 C ATOM 1285 C ASN A 79 6.217 -12.752 2.202 1.00 0.00 C ATOM 1286 O ASN A 79 7.061 -11.882 2.309 1.00 0.00 O ATOM 1287 CB ASN A 79 4.167 -12.965 3.640 1.00 0.00 C ATOM 1288 CG ASN A 79 4.378 -11.938 4.755 1.00 0.00 C ATOM 1289 OD1 ASN A 79 3.471 -11.207 5.103 1.00 0.00 O ATOM 1290 ND2 ASN A 79 5.543 -11.852 5.335 1.00 0.00 N ATOM 0 H ASN A 79 3.821 -12.252 0.387 1.00 0.00 H new ATOM 0 HA ASN A 79 4.601 -11.326 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.106 -13.189 3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.667 -13.900 3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.693 -11.172 6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.304 -12.465 5.043 1.00 0.00 H new ATOM 1297 N ASN A 80 6.554 -14.003 1.992 1.00 0.00 N ATOM 1298 CA ASN A 80 7.995 -14.387 1.877 1.00 0.00 C ATOM 1299 C ASN A 80 8.635 -13.649 0.699 1.00 0.00 C ATOM 1300 O ASN A 80 9.811 -13.335 0.716 1.00 0.00 O ATOM 1301 CB ASN A 80 8.107 -15.897 1.648 1.00 0.00 C ATOM 1302 CG ASN A 80 9.566 -16.341 1.805 1.00 0.00 C ATOM 1303 OD1 ASN A 80 10.466 -15.525 1.847 1.00 0.00 O ATOM 1304 ND2 ASN A 80 9.841 -17.615 1.891 1.00 0.00 N ATOM 0 H ASN A 80 5.893 -14.773 1.896 1.00 0.00 H new ATOM 0 HA ASN A 80 8.511 -14.117 2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.477 -16.430 2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.746 -16.150 0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.808 -17.922 1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.088 -18.303 1.856 1.00 0.00 H new ATOM 1311 N ASP A 81 7.867 -13.375 -0.325 1.00 0.00 N ATOM 1312 CA ASP A 81 8.419 -12.660 -1.513 1.00 0.00 C ATOM 1313 C ASP A 81 7.871 -11.231 -1.548 1.00 0.00 C ATOM 1314 O ASP A 81 7.150 -10.813 -0.663 1.00 0.00 O ATOM 1315 CB ASP A 81 8.008 -13.401 -2.789 1.00 0.00 C ATOM 1316 CG ASP A 81 6.492 -13.625 -2.793 1.00 0.00 C ATOM 1317 OD1 ASP A 81 5.771 -12.677 -2.536 1.00 0.00 O ATOM 1318 OD2 ASP A 81 6.080 -14.743 -3.054 1.00 0.00 O ATOM 0 H ASP A 81 6.878 -13.617 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 81 9.507 -12.628 -1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.302 -12.825 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.527 -14.358 -2.848 1.00 0.00 H new ATOM 1323 N SER A 82 8.211 -10.482 -2.567 1.00 0.00 N ATOM 1324 CA SER A 82 7.716 -9.078 -2.670 1.00 0.00 C ATOM 1325 C SER A 82 6.789 -8.954 -3.882 1.00 0.00 C ATOM 1326 O SER A 82 7.178 -8.458 -4.923 1.00 0.00 O ATOM 1327 CB SER A 82 8.902 -8.127 -2.836 1.00 0.00 C ATOM 1328 OG SER A 82 9.753 -8.237 -1.704 1.00 0.00 O ATOM 0 H SER A 82 8.812 -10.785 -3.334 1.00 0.00 H new ATOM 0 HA SER A 82 7.169 -8.819 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.453 -8.369 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.549 -7.101 -2.942 1.00 0.00 H new ATOM 0 HG SER A 82 10.515 -7.630 -1.808 1.00 0.00 H new ATOM 1334 N ARG A 83 5.566 -9.403 -3.754 1.00 0.00 N ATOM 1335 CA ARG A 83 4.611 -9.315 -4.897 1.00 0.00 C ATOM 1336 C ARG A 83 3.258 -8.798 -4.397 1.00 0.00 C ATOM 1337 O ARG A 83 2.267 -9.507 -4.402 1.00 0.00 O ATOM 1338 CB ARG A 83 4.439 -10.700 -5.525 1.00 0.00 C ATOM 1339 CG ARG A 83 5.584 -10.959 -6.507 1.00 0.00 C ATOM 1340 CD ARG A 83 5.082 -11.839 -7.655 1.00 0.00 C ATOM 1341 NE ARG A 83 4.695 -13.175 -7.123 1.00 0.00 N ATOM 1342 CZ ARG A 83 5.538 -14.167 -7.181 1.00 0.00 C ATOM 1343 NH1 ARG A 83 5.562 -14.946 -8.229 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.361 -14.381 -6.190 1.00 0.00 N ATOM 0 H ARG A 83 5.189 -9.827 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 83 5.001 -8.627 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.431 -11.465 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.481 -10.761 -6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.963 -10.015 -6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.413 -11.448 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.228 -11.368 -8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.860 -11.948 -8.411 1.00 0.00 H new ATOM 0 HE ARG A 83 3.771 -13.313 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.920 -14.778 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.223 -15.722 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.343 -13.772 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.021 -15.157 -6.234 1.00 0.00 H new ATOM 1358 N TRP A 84 3.212 -7.563 -3.968 1.00 0.00 N ATOM 1359 CA TRP A 84 1.931 -6.983 -3.468 1.00 0.00 C ATOM 1360 C TRP A 84 1.094 -6.506 -4.656 1.00 0.00 C ATOM 1361 O TRP A 84 1.536 -5.694 -5.447 1.00 0.00 O ATOM 1362 CB TRP A 84 2.235 -5.795 -2.556 1.00 0.00 C ATOM 1363 CG TRP A 84 2.873 -6.279 -1.294 1.00 0.00 C ATOM 1364 CD1 TRP A 84 4.066 -6.914 -1.221 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.377 -6.179 0.072 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.335 -7.207 0.104 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.323 -6.774 0.940 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.211 -5.633 0.636 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.119 -6.826 2.320 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 1.001 -5.683 2.024 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.953 -6.278 2.864 1.00 0.00 C ATOM 0 H TRP A 84 4.011 -6.929 -3.943 1.00 0.00 H new ATOM 0 HA TRP A 84 1.380 -7.741 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.897 -5.094 -3.064 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.316 -5.256 -2.327 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.703 -7.153 -2.060 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.177 -7.684 0.425 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.472 -5.172 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.856 -7.286 2.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.101 -5.261 2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.786 -6.313 3.930 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.111 -7.000 -4.786 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.978 -6.572 -5.923 1.00 0.00 C ATOM 1384 C GLU A 85 -2.233 -5.884 -5.381 1.00 0.00 C ATOM 1385 O GLU A 85 -2.813 -6.313 -4.402 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.381 -7.799 -6.748 1.00 0.00 C ATOM 1387 CG GLU A 85 -2.020 -8.858 -5.835 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.122 -10.099 -5.769 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.103 -10.033 -5.102 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -1.471 -11.090 -6.387 1.00 0.00 O ATOM 0 H GLU A 85 -0.531 -7.681 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.429 -5.874 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.084 -7.508 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.506 -8.216 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.165 -8.449 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.005 -9.131 -6.214 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.652 -4.816 -6.014 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.867 -4.087 -5.544 1.00 0.00 C ATOM 1399 C PHE A 86 -4.890 -4.008 -6.680 1.00 0.00 C ATOM 1400 O PHE A 86 -4.711 -3.278 -7.637 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.481 -2.665 -5.103 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.296 -2.700 -4.154 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -2.203 -3.693 -3.169 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.293 -1.729 -4.258 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.111 -3.717 -2.295 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.200 -1.753 -3.382 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.109 -2.747 -2.401 1.00 0.00 C ATOM 0 H PHE A 86 -2.202 -4.418 -6.838 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.302 -4.622 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.235 -2.062 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.330 -2.187 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.977 -4.442 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.362 -0.961 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.042 -4.485 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.573 -1.004 -3.464 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.734 -2.765 -1.726 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.962 -4.752 -6.576 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.005 -4.725 -7.644 1.00 0.00 C ATOM 1419 C GLU A 87 -8.289 -4.105 -7.088 1.00 0.00 C ATOM 1420 O GLU A 87 -8.405 -3.859 -5.903 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.295 -6.151 -8.115 1.00 0.00 C ATOM 1422 CG GLU A 87 -5.992 -6.826 -8.544 1.00 0.00 C ATOM 1423 CD GLU A 87 -6.295 -8.240 -9.043 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -7.211 -8.384 -9.835 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -5.607 -9.156 -8.621 1.00 0.00 O ATOM 0 H GLU A 87 -6.160 -5.378 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.645 -4.131 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.764 -6.721 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.998 -6.134 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.511 -6.246 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.296 -6.865 -7.706 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.255 -3.856 -7.937 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.537 -3.256 -7.464 1.00 0.00 C ATOM 1434 C ASN A 88 -11.702 -3.864 -8.246 1.00 0.00 C ATOM 1435 O ASN A 88 -11.507 -4.586 -9.207 1.00 0.00 O ATOM 1436 CB ASN A 88 -10.506 -1.740 -7.679 1.00 0.00 C ATOM 1437 CG ASN A 88 -10.197 -1.431 -9.146 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -9.266 -1.968 -9.710 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -10.945 -0.578 -9.791 1.00 0.00 N ATOM 0 H ASN A 88 -9.209 -4.043 -8.939 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.666 -3.465 -6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.465 -1.304 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.751 -1.288 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.747 -0.363 -10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.728 -0.126 -9.318 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.916 -3.582 -7.838 1.00 0.00 N ATOM 1447 CA GLU A 89 -14.107 -4.143 -8.542 1.00 0.00 C ATOM 1448 C GLU A 89 -14.109 -5.664 -8.404 1.00 0.00 C ATOM 1449 O GLU A 89 -13.254 -6.349 -8.933 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.074 -3.760 -10.024 1.00 0.00 C ATOM 1451 CG GLU A 89 -15.476 -3.906 -10.619 1.00 0.00 C ATOM 1452 CD GLU A 89 -15.368 -4.213 -12.113 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -14.735 -3.439 -12.812 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -15.921 -5.217 -12.534 1.00 0.00 O ATOM 0 H GLU A 89 -13.132 -2.983 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.012 -3.734 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.724 -2.734 -10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.371 -4.398 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.016 -4.705 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.045 -2.989 -10.466 1.00 0.00 H new ATOM 1461 N ARG A 90 -15.070 -6.194 -7.692 1.00 0.00 N ATOM 1462 CA ARG A 90 -15.158 -7.676 -7.495 1.00 0.00 C ATOM 1463 C ARG A 90 -15.130 -8.394 -8.852 1.00 0.00 C ATOM 1464 O ARG A 90 -15.935 -8.123 -9.724 1.00 0.00 O ATOM 1465 CB ARG A 90 -16.467 -8.007 -6.773 1.00 0.00 C ATOM 1466 CG ARG A 90 -16.499 -9.495 -6.423 1.00 0.00 C ATOM 1467 CD ARG A 90 -17.947 -9.930 -6.189 1.00 0.00 C ATOM 1468 NE ARG A 90 -18.618 -10.157 -7.500 1.00 0.00 N ATOM 1469 CZ ARG A 90 -19.578 -11.035 -7.599 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -19.298 -12.310 -7.602 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -20.818 -10.640 -7.688 1.00 0.00 N ATOM 0 H ARG A 90 -15.807 -5.659 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.308 -8.010 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -16.555 -7.408 -5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -17.317 -7.754 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.058 -10.080 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.902 -9.683 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -17.972 -10.843 -5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.480 -9.166 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.327 -9.626 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -18.329 -12.620 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.048 -12.997 -7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -21.038 -9.644 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -21.568 -11.327 -7.765 1.00 0.00 H new ATOM 1485 N HIS A 91 -14.202 -9.301 -9.031 1.00 0.00 N ATOM 1486 CA HIS A 91 -14.106 -10.040 -10.324 1.00 0.00 C ATOM 1487 C HIS A 91 -14.499 -11.505 -10.106 1.00 0.00 C ATOM 1488 O HIS A 91 -15.017 -11.869 -9.067 1.00 0.00 O ATOM 1489 CB HIS A 91 -12.661 -9.962 -10.845 1.00 0.00 C ATOM 1490 CG HIS A 91 -12.652 -9.444 -12.260 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -12.822 -8.102 -12.556 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -12.493 -10.078 -13.467 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -12.763 -7.970 -13.893 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -12.564 -9.145 -14.498 1.00 0.00 N ATOM 0 H HIS A 91 -13.505 -9.561 -8.333 1.00 0.00 H new ATOM 0 HA HIS A 91 -14.780 -9.593 -11.054 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.070 -9.307 -10.205 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.198 -10.948 -10.807 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.337 -11.139 -13.597 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.864 -7.029 -14.414 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -12.482 -9.320 -15.499 1.00 0.00 H new ATOM 1502 N ALA A 92 -14.256 -12.344 -11.081 1.00 0.00 N ATOM 1503 CA ALA A 92 -14.610 -13.786 -10.942 1.00 0.00 C ATOM 1504 C ALA A 92 -14.135 -14.548 -12.181 1.00 0.00 C ATOM 1505 O ALA A 92 -13.246 -15.372 -12.041 1.00 0.00 O ATOM 1506 CB ALA A 92 -16.127 -13.930 -10.805 1.00 0.00 C ATOM 1507 OXT ALA A 92 -14.666 -14.294 -13.250 1.00 0.00 O ATOM 0 H ALA A 92 -13.826 -12.090 -11.970 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.126 -14.195 -10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.385 -14.984 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.466 -13.387 -9.923 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -16.613 -13.521 -11.691 1.00 0.00 H new TER 1513 ALA A 92