USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=20 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 67 LYS NZ :NH3+ -153:sc= 0.0622 (180deg=0) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.084 K(o=-0.022,f=-0.68) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0.142 USER MOD Set 2.2: A 59 GLN : amide:sc= -3.42 K(o=-3.3,f=-5.4!) USER MOD Set 3.1: A 17 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 18 ASN : amide:sc= -0.812 K(o=-0.83,f=-1.8) USER MOD Set 3.3: A 47 TYR OH : rot -140:sc= -0.0142 USER MOD Set 4.1: A 8 LYS NZ :NH3+ 136:sc= 0.00926 (180deg=0) USER MOD Set 4.2: A 12 MET CE :methyl 161:sc= -1.25 (180deg=-2.51!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0514 X(o=-0.051,f=-0.21) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0913) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc=-0.00383 (180deg=-0.15) USER MOD Single : A 23 HIS : no HE2:sc= -2.67 X(o=-2.7,f=-2.2) 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=-0.00389 USER MOD Single : A 30 SER OG : rot -41:sc= 1.18 USER MOD Single : A 35 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= -0.0737 X(o=-0.074,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 X(o=0,f=-0.035) USER MOD Single : A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.0043) USER MOD Single : A 61 ASN : amide:sc= -0.0272 X(o=-0.027,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= -4.04 K(o=-4,f=-6.4!) 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 USER MOD Single : A 79 ASN : amide:sc= -0.217 K(o=-0.22,f=-3.6!) USER MOD Single : A 80 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.2) USER MOD Single : A 82 SER OG : rot 4:sc= 0.353 USER MOD Single : A 88 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.612 X(o=-0.61,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.156 15.847 -7.791 1.00 0.00 N ATOM 2 CA ALA A 1 -15.967 15.659 -6.324 1.00 0.00 C ATOM 3 C ALA A 1 -14.899 14.586 -6.084 1.00 0.00 C ATOM 4 O ALA A 1 -15.175 13.522 -5.558 1.00 0.00 O ATOM 5 CB ALA A 1 -17.292 15.224 -5.689 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.880 16.575 -7.957 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.258 16.148 -8.221 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.462 14.950 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.645 16.597 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.154 15.087 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.047 15.990 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.619 14.285 -6.136 1.00 0.00 H new ATOM 13 N ARG A 2 -13.677 14.862 -6.467 1.00 0.00 N ATOM 14 CA ARG A 2 -12.582 13.871 -6.268 1.00 0.00 C ATOM 15 C ARG A 2 -11.607 14.392 -5.203 1.00 0.00 C ATOM 16 O ARG A 2 -11.461 15.589 -5.044 1.00 0.00 O ATOM 17 CB ARG A 2 -11.839 13.660 -7.592 1.00 0.00 C ATOM 18 CG ARG A 2 -12.777 12.997 -8.614 1.00 0.00 C ATOM 19 CD ARG A 2 -12.176 11.672 -9.093 1.00 0.00 C ATOM 20 NE ARG A 2 -12.539 11.450 -10.522 1.00 0.00 N ATOM 21 CZ ARG A 2 -13.499 10.621 -10.831 1.00 0.00 C ATOM 22 NH1 ARG A 2 -14.699 10.803 -10.350 1.00 0.00 N ATOM 23 NH2 ARG A 2 -13.260 9.609 -11.620 1.00 0.00 N ATOM 0 H ARG A 2 -13.393 15.735 -6.910 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.004 12.922 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.484 14.616 -7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.961 13.035 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -13.754 12.821 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.933 13.663 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.092 11.690 -8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.546 10.850 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.037 11.946 -11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.887 11.593 -9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.449 10.155 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.323 9.465 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.011 8.962 -11.861 1.00 0.00 H new ATOM 37 N PRO A 3 -10.972 13.475 -4.502 1.00 0.00 N ATOM 38 CA PRO A 3 -10.025 13.922 -3.453 1.00 0.00 C ATOM 39 C PRO A 3 -8.604 14.038 -4.018 1.00 0.00 C ATOM 40 O PRO A 3 -8.260 13.414 -5.008 1.00 0.00 O ATOM 41 CB PRO A 3 -10.083 12.831 -2.385 1.00 0.00 C ATOM 42 CG PRO A 3 -10.584 11.561 -3.093 1.00 0.00 C ATOM 43 CD PRO A 3 -11.277 12.022 -4.385 1.00 0.00 C ATOM 0 HA PRO A 3 -10.286 14.904 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.100 12.668 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.754 13.115 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.755 10.890 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.277 11.011 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.904 11.472 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.352 11.849 -4.337 1.00 0.00 H new ATOM 51 N ALA A 4 -7.780 14.833 -3.384 1.00 0.00 N ATOM 52 CA ALA A 4 -6.377 15.004 -3.857 1.00 0.00 C ATOM 53 C ALA A 4 -5.605 13.685 -3.716 1.00 0.00 C ATOM 54 O ALA A 4 -4.539 13.530 -4.281 1.00 0.00 O ATOM 55 CB ALA A 4 -5.691 16.089 -3.024 1.00 0.00 C ATOM 0 H ALA A 4 -8.023 15.374 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.388 15.296 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.664 16.217 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.231 17.029 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.689 15.795 -1.974 1.00 0.00 H new ATOM 61 N PHE A 5 -6.128 12.731 -2.973 1.00 0.00 N ATOM 62 CA PHE A 5 -5.410 11.431 -2.814 1.00 0.00 C ATOM 63 C PHE A 5 -5.605 10.591 -4.080 1.00 0.00 C ATOM 64 O PHE A 5 -4.656 10.069 -4.631 1.00 0.00 O ATOM 65 CB PHE A 5 -5.961 10.674 -1.599 1.00 0.00 C ATOM 66 CG PHE A 5 -5.174 9.395 -1.400 1.00 0.00 C ATOM 67 CD1 PHE A 5 -3.907 9.434 -0.804 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.712 8.170 -1.822 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.179 8.250 -0.629 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.981 6.989 -1.648 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.715 7.028 -1.051 1.00 0.00 C ATOM 0 H PHE A 5 -7.016 12.801 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.348 11.619 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.893 11.297 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.016 10.445 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.491 10.377 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.689 8.138 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.203 8.280 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.394 6.046 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.153 6.116 -0.916 1.00 0.00 H new ATOM 81 N VAL A 6 -6.826 10.457 -4.546 1.00 0.00 N ATOM 82 CA VAL A 6 -7.078 9.649 -5.781 1.00 0.00 C ATOM 83 C VAL A 6 -6.334 10.281 -6.959 1.00 0.00 C ATOM 84 O VAL A 6 -5.690 9.597 -7.732 1.00 0.00 O ATOM 85 CB VAL A 6 -8.579 9.610 -6.087 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.833 8.720 -7.308 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.328 9.037 -4.883 1.00 0.00 C ATOM 0 H VAL A 6 -7.657 10.872 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.721 8.631 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.931 10.621 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.901 8.694 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.299 9.122 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.480 7.710 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.396 9.008 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.972 8.027 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.151 9.667 -4.011 1.00 0.00 H new ATOM 97 N ASN A 7 -6.410 11.582 -7.095 1.00 0.00 N ATOM 98 CA ASN A 7 -5.693 12.261 -8.216 1.00 0.00 C ATOM 99 C ASN A 7 -4.189 12.061 -8.020 1.00 0.00 C ATOM 100 O ASN A 7 -3.437 11.890 -8.960 1.00 0.00 O ATOM 101 CB ASN A 7 -6.020 13.757 -8.203 1.00 0.00 C ATOM 102 CG ASN A 7 -7.522 13.957 -8.415 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.214 14.433 -7.536 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.061 13.614 -9.553 1.00 0.00 N ATOM 0 H ASN A 7 -6.937 12.201 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.005 11.839 -9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.715 14.198 -7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.461 14.268 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.061 13.745 -9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.482 13.215 -10.292 1.00 0.00 H new ATOM 111 N LYS A 8 -3.762 12.070 -6.788 1.00 0.00 N ATOM 112 CA LYS A 8 -2.321 11.871 -6.467 1.00 0.00 C ATOM 113 C LYS A 8 -1.910 10.429 -6.828 1.00 0.00 C ATOM 114 O LYS A 8 -0.753 10.150 -7.080 1.00 0.00 O ATOM 115 CB LYS A 8 -2.136 12.134 -4.956 1.00 0.00 C ATOM 116 CG LYS A 8 -0.735 11.715 -4.481 1.00 0.00 C ATOM 117 CD LYS A 8 -0.841 10.570 -3.454 1.00 0.00 C ATOM 118 CE LYS A 8 -0.145 9.323 -4.000 1.00 0.00 C ATOM 119 NZ LYS A 8 -0.412 8.169 -3.096 1.00 0.00 N ATOM 0 H LYS A 8 -4.362 12.209 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.692 12.554 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.291 13.193 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.892 11.585 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.135 11.395 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.224 12.568 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.384 10.870 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.888 10.352 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.506 9.103 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.928 9.497 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.646 7.330 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.434 7.974 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.210 8.396 -2.469 1.00 0.00 H new ATOM 133 N LEU A 9 -2.850 9.517 -6.843 1.00 0.00 N ATOM 134 CA LEU A 9 -2.530 8.094 -7.169 1.00 0.00 C ATOM 135 C LEU A 9 -2.338 7.923 -8.682 1.00 0.00 C ATOM 136 O LEU A 9 -1.560 7.097 -9.124 1.00 0.00 O ATOM 137 CB LEU A 9 -3.688 7.210 -6.693 1.00 0.00 C ATOM 138 CG LEU A 9 -3.233 5.752 -6.590 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.138 5.625 -5.530 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.422 4.873 -6.194 1.00 0.00 C ATOM 0 H LEU A 9 -3.833 9.700 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.606 7.805 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.045 7.557 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.525 7.289 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.842 5.430 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.818 4.585 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.288 6.249 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.526 5.950 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.098 3.835 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.812 5.201 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.204 4.957 -6.949 1.00 0.00 H new ATOM 152 N TRP A 10 -3.045 8.688 -9.478 1.00 0.00 N ATOM 153 CA TRP A 10 -2.914 8.562 -10.966 1.00 0.00 C ATOM 154 C TRP A 10 -1.533 9.034 -11.447 1.00 0.00 C ATOM 155 O TRP A 10 -1.200 8.865 -12.606 1.00 0.00 O ATOM 156 CB TRP A 10 -3.975 9.425 -11.648 1.00 0.00 C ATOM 157 CG TRP A 10 -5.364 8.968 -11.305 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.484 9.633 -11.671 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.819 7.788 -10.557 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.588 8.952 -11.207 1.00 0.00 N ATOM 161 CE2 TRP A 10 -7.238 7.812 -10.516 1.00 0.00 C ATOM 162 CE3 TRP A 10 -5.165 6.711 -9.917 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.973 6.817 -9.873 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.908 5.710 -9.270 1.00 0.00 C ATOM 165 CH2 TRP A 10 -7.307 5.762 -9.249 1.00 0.00 C ATOM 0 H TRP A 10 -3.708 9.396 -9.162 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.043 7.511 -11.223 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.848 10.465 -11.346 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.836 9.388 -12.728 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.509 10.552 -12.237 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.550 9.255 -11.357 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.086 6.657 -9.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -9.052 6.863 -9.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.396 4.893 -8.784 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.870 4.987 -8.750 1.00 0.00 H new ATOM 176 N SER A 11 -0.738 9.637 -10.595 1.00 0.00 N ATOM 177 CA SER A 11 0.599 10.131 -11.049 1.00 0.00 C ATOM 178 C SER A 11 1.727 9.303 -10.421 1.00 0.00 C ATOM 179 O SER A 11 2.779 9.139 -11.012 1.00 0.00 O ATOM 180 CB SER A 11 0.755 11.597 -10.643 1.00 0.00 C ATOM 181 OG SER A 11 2.117 11.983 -10.776 1.00 0.00 O ATOM 0 H SER A 11 -0.955 9.807 -9.613 1.00 0.00 H new ATOM 0 HA SER A 11 0.661 10.033 -12.133 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.124 12.228 -11.269 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.425 11.738 -9.614 1.00 0.00 H new ATOM 0 HG SER A 11 2.217 12.923 -10.517 1.00 0.00 H new ATOM 187 N MET A 12 1.529 8.793 -9.232 1.00 0.00 N ATOM 188 CA MET A 12 2.606 7.992 -8.574 1.00 0.00 C ATOM 189 C MET A 12 2.620 6.568 -9.140 1.00 0.00 C ATOM 190 O MET A 12 3.643 5.911 -9.155 1.00 0.00 O ATOM 191 CB MET A 12 2.368 7.950 -7.055 1.00 0.00 C ATOM 192 CG MET A 12 1.057 7.212 -6.735 1.00 0.00 C ATOM 193 SD MET A 12 1.421 5.540 -6.133 1.00 0.00 S ATOM 194 CE MET A 12 2.314 6.027 -4.635 1.00 0.00 C ATOM 0 H MET A 12 0.671 8.896 -8.690 1.00 0.00 H new ATOM 0 HA MET A 12 3.570 8.460 -8.772 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.203 7.450 -6.564 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.327 8.965 -6.659 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.493 7.764 -5.983 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.432 7.159 -7.627 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.342 5.188 -3.939 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.332 6.316 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.806 6.870 -4.167 1.00 0.00 H new ATOM 204 N VAL A 13 1.490 6.087 -9.589 1.00 0.00 N ATOM 205 CA VAL A 13 1.432 4.699 -10.136 1.00 0.00 C ATOM 206 C VAL A 13 1.987 4.680 -11.564 1.00 0.00 C ATOM 207 O VAL A 13 2.486 3.671 -12.027 1.00 0.00 O ATOM 208 CB VAL A 13 -0.015 4.187 -10.157 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.000 2.674 -10.370 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.727 4.500 -8.830 1.00 0.00 C ATOM 0 H VAL A 13 0.606 6.595 -9.601 1.00 0.00 H new ATOM 0 HA VAL A 13 2.031 4.053 -9.495 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.552 4.684 -10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.023 2.299 -10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.486 2.445 -11.318 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.548 2.198 -9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.751 4.127 -8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.196 4.017 -8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.739 5.578 -8.669 1.00 0.00 H new ATOM 220 N ASN A 14 1.895 5.783 -12.272 1.00 0.00 N ATOM 221 CA ASN A 14 2.409 5.821 -13.676 1.00 0.00 C ATOM 222 C ASN A 14 3.904 5.458 -13.702 1.00 0.00 C ATOM 223 O ASN A 14 4.251 4.304 -13.853 1.00 0.00 O ATOM 224 CB ASN A 14 2.186 7.217 -14.271 1.00 0.00 C ATOM 225 CG ASN A 14 0.811 7.270 -14.938 1.00 0.00 C ATOM 226 OD1 ASN A 14 0.665 7.817 -16.014 1.00 0.00 O ATOM 227 ND2 ASN A 14 -0.212 6.724 -14.341 1.00 0.00 N ATOM 0 H ASN A 14 1.487 6.656 -11.937 1.00 0.00 H new ATOM 0 HA ASN A 14 1.866 5.091 -14.277 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.252 7.973 -13.489 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.965 7.443 -14.999 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.134 6.756 -14.777 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.090 6.265 -13.438 1.00 0.00 H new ATOM 234 N ASP A 15 4.792 6.424 -13.551 1.00 0.00 N ATOM 235 CA ASP A 15 6.265 6.117 -13.566 1.00 0.00 C ATOM 236 C ASP A 15 7.088 7.412 -13.592 1.00 0.00 C ATOM 237 O ASP A 15 8.217 7.431 -13.158 1.00 0.00 O ATOM 238 CB ASP A 15 6.636 5.295 -14.810 1.00 0.00 C ATOM 239 CG ASP A 15 6.041 5.953 -16.058 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.852 5.792 -16.280 1.00 0.00 O ATOM 241 OD2 ASP A 15 6.784 6.607 -16.771 1.00 0.00 O ATOM 0 H ASP A 15 4.559 7.408 -13.419 1.00 0.00 H new ATOM 0 HA ASP A 15 6.488 5.549 -12.662 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.720 5.228 -14.904 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.261 4.276 -14.710 1.00 0.00 H new ATOM 246 N LYS A 16 6.547 8.486 -14.123 1.00 0.00 N ATOM 247 CA LYS A 16 7.312 9.780 -14.206 1.00 0.00 C ATOM 248 C LYS A 16 8.026 10.109 -12.882 1.00 0.00 C ATOM 249 O LYS A 16 9.238 10.203 -12.838 1.00 0.00 O ATOM 250 CB LYS A 16 6.343 10.913 -14.547 1.00 0.00 C ATOM 251 CG LYS A 16 7.102 12.044 -15.239 1.00 0.00 C ATOM 252 CD LYS A 16 6.134 12.842 -16.112 1.00 0.00 C ATOM 253 CE LYS A 16 6.793 14.154 -16.535 1.00 0.00 C ATOM 254 NZ LYS A 16 6.736 15.124 -15.405 1.00 0.00 N ATOM 0 H LYS A 16 5.602 8.524 -14.506 1.00 0.00 H new ATOM 0 HA LYS A 16 8.071 9.674 -14.981 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.549 10.543 -15.196 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.866 11.283 -13.639 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.562 12.696 -14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.908 11.636 -15.849 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.858 12.261 -16.992 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.215 13.045 -15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.829 13.977 -16.824 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.284 14.565 -17.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.487 16.066 -15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.017 14.817 -14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.664 15.167 -14.937 1.00 0.00 H new ATOM 268 N SER A 17 7.291 10.290 -11.812 1.00 0.00 N ATOM 269 CA SER A 17 7.937 10.619 -10.497 1.00 0.00 C ATOM 270 C SER A 17 8.932 9.518 -10.117 1.00 0.00 C ATOM 271 O SER A 17 10.108 9.767 -9.921 1.00 0.00 O ATOM 272 CB SER A 17 6.864 10.728 -9.413 1.00 0.00 C ATOM 273 OG SER A 17 6.408 12.072 -9.336 1.00 0.00 O ATOM 0 H SER A 17 6.273 10.225 -11.789 1.00 0.00 H new ATOM 0 HA SER A 17 8.465 11.568 -10.586 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.032 10.062 -9.641 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.269 10.414 -8.451 1.00 0.00 H new ATOM 0 HG SER A 17 5.615 12.116 -8.762 1.00 0.00 H new ATOM 279 N ASN A 18 8.466 8.303 -10.021 1.00 0.00 N ATOM 280 CA ASN A 18 9.365 7.160 -9.663 1.00 0.00 C ATOM 281 C ASN A 18 9.496 6.240 -10.880 1.00 0.00 C ATOM 282 O ASN A 18 8.901 5.182 -10.934 1.00 0.00 O ATOM 283 CB ASN A 18 8.780 6.374 -8.475 1.00 0.00 C ATOM 284 CG ASN A 18 7.259 6.235 -8.614 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.773 5.258 -9.148 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.487 7.182 -8.152 1.00 0.00 N ATOM 0 H ASN A 18 7.491 8.047 -10.176 1.00 0.00 H new ATOM 0 HA ASN A 18 10.345 7.541 -9.376 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.238 5.386 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.020 6.884 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.474 7.102 -8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.897 8.001 -7.704 1.00 0.00 H new ATOM 293 N GLU A 19 10.261 6.653 -11.864 1.00 0.00 N ATOM 294 CA GLU A 19 10.425 5.825 -13.100 1.00 0.00 C ATOM 295 C GLU A 19 11.337 4.636 -12.807 1.00 0.00 C ATOM 296 O GLU A 19 12.523 4.682 -13.050 1.00 0.00 O ATOM 297 CB GLU A 19 11.035 6.683 -14.213 1.00 0.00 C ATOM 298 CG GLU A 19 10.876 5.967 -15.556 1.00 0.00 C ATOM 299 CD GLU A 19 11.993 4.934 -15.723 1.00 0.00 C ATOM 300 OE1 GLU A 19 13.125 5.257 -15.402 1.00 0.00 O ATOM 301 OE2 GLU A 19 11.697 3.837 -16.168 1.00 0.00 O ATOM 0 H GLU A 19 10.780 7.531 -11.863 1.00 0.00 H new ATOM 0 HA GLU A 19 9.450 5.457 -13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.544 7.656 -14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.090 6.866 -14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.904 5.477 -15.605 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.911 6.690 -16.371 1.00 0.00 H new ATOM 308 N LYS A 20 10.765 3.574 -12.291 1.00 0.00 N ATOM 309 CA LYS A 20 11.529 2.324 -11.949 1.00 0.00 C ATOM 310 C LYS A 20 10.669 1.500 -10.981 1.00 0.00 C ATOM 311 O LYS A 20 10.753 0.287 -10.944 1.00 0.00 O ATOM 312 CB LYS A 20 12.881 2.650 -11.266 1.00 0.00 C ATOM 313 CG LYS A 20 13.581 1.354 -10.818 1.00 0.00 C ATOM 314 CD LYS A 20 15.057 1.390 -11.227 1.00 0.00 C ATOM 315 CE LYS A 20 15.167 1.199 -12.740 1.00 0.00 C ATOM 316 NZ LYS A 20 14.965 -0.241 -13.073 1.00 0.00 N ATOM 0 H LYS A 20 9.768 3.518 -12.085 1.00 0.00 H new ATOM 0 HA LYS A 20 11.742 1.776 -12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.522 3.197 -11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.714 3.297 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.497 1.240 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.091 0.491 -11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.504 2.340 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.609 0.606 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.422 1.810 -13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.145 1.531 -13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.300 -0.424 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.500 -0.830 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.954 -0.474 -13.008 1.00 0.00 H new ATOM 330 N PHE A 21 9.863 2.158 -10.181 1.00 0.00 N ATOM 331 CA PHE A 21 9.020 1.425 -9.192 1.00 0.00 C ATOM 332 C PHE A 21 7.545 1.458 -9.604 1.00 0.00 C ATOM 333 O PHE A 21 7.114 2.329 -10.328 1.00 0.00 O ATOM 334 CB PHE A 21 9.166 2.089 -7.823 1.00 0.00 C ATOM 335 CG PHE A 21 10.626 2.192 -7.452 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.297 1.078 -6.939 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.307 3.407 -7.615 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.649 1.174 -6.587 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.659 3.502 -7.264 1.00 0.00 C ATOM 340 CZ PHE A 21 13.329 2.386 -6.749 1.00 0.00 C ATOM 0 H PHE A 21 9.755 3.172 -10.173 1.00 0.00 H new ATOM 0 HA PHE A 21 9.351 0.387 -9.152 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.716 3.082 -7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.631 1.510 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.772 0.142 -6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.789 4.268 -8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.167 0.313 -6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.185 4.437 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.371 2.461 -6.477 1.00 0.00 H new ATOM 350 N ILE A 22 6.786 0.506 -9.110 1.00 0.00 N ATOM 351 CA ILE A 22 5.315 0.401 -9.398 1.00 0.00 C ATOM 352 C ILE A 22 5.011 0.446 -10.906 1.00 0.00 C ATOM 353 O ILE A 22 5.811 0.867 -11.716 1.00 0.00 O ATOM 354 CB ILE A 22 4.535 1.501 -8.633 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.048 1.135 -8.613 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.701 2.889 -9.275 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.324 1.984 -7.567 1.00 0.00 C ATOM 0 H ILE A 22 7.138 -0.229 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 22 4.980 -0.573 -9.043 1.00 0.00 H new ATOM 0 HB ILE A 22 4.940 1.553 -7.622 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.609 1.300 -9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.927 0.076 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.136 3.625 -8.703 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.756 3.164 -9.279 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.329 2.863 -10.299 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.266 1.722 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.756 1.797 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.433 3.040 -7.816 1.00 0.00 H new ATOM 369 N HIS A 23 3.837 -0.001 -11.275 1.00 0.00 N ATOM 370 CA HIS A 23 3.427 -0.004 -12.710 1.00 0.00 C ATOM 371 C HIS A 23 2.030 -0.624 -12.812 1.00 0.00 C ATOM 372 O HIS A 23 1.620 -1.379 -11.950 1.00 0.00 O ATOM 373 CB HIS A 23 4.418 -0.823 -13.545 1.00 0.00 C ATOM 374 CG HIS A 23 4.573 -2.192 -12.949 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.017 -3.318 -13.534 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.220 -2.636 -11.823 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.334 -4.374 -12.765 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.068 -4.014 -11.709 1.00 0.00 N ATOM 0 H HIS A 23 3.136 -0.369 -10.632 1.00 0.00 H new ATOM 0 HA HIS A 23 3.417 1.017 -13.092 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.064 -0.902 -14.573 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.384 -0.319 -13.578 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.467 -3.341 -14.393 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.764 -2.011 -11.131 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.032 -5.389 -12.975 1.00 0.00 H new ATOM 386 N TRP A 24 1.295 -0.305 -13.847 1.00 0.00 N ATOM 387 CA TRP A 24 -0.078 -0.872 -13.993 1.00 0.00 C ATOM 388 C TRP A 24 0.009 -2.322 -14.477 1.00 0.00 C ATOM 389 O TRP A 24 1.076 -2.823 -14.777 1.00 0.00 O ATOM 390 CB TRP A 24 -0.870 -0.036 -15.000 1.00 0.00 C ATOM 391 CG TRP A 24 -1.232 1.273 -14.376 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.508 2.411 -14.486 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.384 1.601 -13.546 1.00 0.00 C ATOM 394 NE1 TRP A 24 -1.141 3.415 -13.776 1.00 0.00 N ATOM 395 CE2 TRP A 24 -2.303 2.965 -13.179 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.482 0.854 -13.082 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -3.275 3.567 -12.380 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.462 1.456 -12.276 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.359 2.810 -11.926 1.00 0.00 C ATOM 0 H TRP A 24 1.587 0.323 -14.596 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.583 -0.849 -13.028 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.278 0.128 -15.900 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.771 -0.569 -15.304 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.414 2.518 -15.038 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.793 4.371 -13.702 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.572 -0.189 -13.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.191 4.610 -12.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.300 0.873 -11.924 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.116 3.267 -11.306 1.00 0.00 H new ATOM 410 N SER A 25 -1.110 -2.997 -14.543 1.00 0.00 N ATOM 411 CA SER A 25 -1.112 -4.419 -14.996 1.00 0.00 C ATOM 412 C SER A 25 -1.008 -4.480 -16.522 1.00 0.00 C ATOM 413 O SER A 25 -0.714 -3.495 -17.173 1.00 0.00 O ATOM 414 CB SER A 25 -2.412 -5.089 -14.550 1.00 0.00 C ATOM 415 OG SER A 25 -3.493 -4.572 -15.314 1.00 0.00 O ATOM 0 H SER A 25 -2.027 -2.621 -14.301 1.00 0.00 H new ATOM 0 HA SER A 25 -0.259 -4.937 -14.557 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.342 -6.169 -14.682 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.582 -4.908 -13.489 1.00 0.00 H new ATOM 0 HG SER A 25 -4.328 -5.001 -15.032 1.00 0.00 H new ATOM 421 N THR A 26 -1.250 -5.634 -17.093 1.00 0.00 N ATOM 422 CA THR A 26 -1.173 -5.776 -18.578 1.00 0.00 C ATOM 423 C THR A 26 -2.484 -6.363 -19.114 1.00 0.00 C ATOM 424 O THR A 26 -2.521 -6.919 -20.195 1.00 0.00 O ATOM 425 CB THR A 26 -0.016 -6.714 -18.943 1.00 0.00 C ATOM 426 OG1 THR A 26 1.110 -6.415 -18.130 1.00 0.00 O ATOM 427 CG2 THR A 26 0.356 -6.535 -20.420 1.00 0.00 C ATOM 0 H THR A 26 -1.499 -6.487 -16.591 1.00 0.00 H new ATOM 0 HA THR A 26 -1.007 -4.794 -19.022 1.00 0.00 H new ATOM 0 HB THR A 26 -0.324 -7.746 -18.775 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.849 -7.015 -18.362 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.178 -7.204 -20.672 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.507 -6.770 -21.044 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.661 -5.503 -20.596 1.00 0.00 H new ATOM 435 N SER A 27 -3.558 -6.244 -18.370 1.00 0.00 N ATOM 436 CA SER A 27 -4.862 -6.795 -18.837 1.00 0.00 C ATOM 437 C SER A 27 -5.954 -6.458 -17.819 1.00 0.00 C ATOM 438 O SER A 27 -6.277 -7.256 -16.959 1.00 0.00 O ATOM 439 CB SER A 27 -4.754 -8.315 -18.983 1.00 0.00 C ATOM 440 OG SER A 27 -3.854 -8.819 -18.004 1.00 0.00 O ATOM 0 H SER A 27 -3.584 -5.787 -17.458 1.00 0.00 H new ATOM 0 HA SER A 27 -5.115 -6.355 -19.801 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.735 -8.774 -18.862 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.403 -8.572 -19.983 1.00 0.00 H new ATOM 0 HG SER A 27 -3.784 -9.792 -18.094 1.00 0.00 H new ATOM 446 N GLY A 28 -6.524 -5.282 -17.913 1.00 0.00 N ATOM 447 CA GLY A 28 -7.599 -4.886 -16.955 1.00 0.00 C ATOM 448 C GLY A 28 -7.182 -3.618 -16.206 1.00 0.00 C ATOM 449 O GLY A 28 -6.682 -2.678 -16.795 1.00 0.00 O ATOM 0 H GLY A 28 -6.290 -4.579 -18.614 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.532 -4.713 -17.492 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.784 -5.694 -16.247 1.00 0.00 H new ATOM 453 N GLU A 29 -7.385 -3.588 -14.913 1.00 0.00 N ATOM 454 CA GLU A 29 -7.005 -2.385 -14.117 1.00 0.00 C ATOM 455 C GLU A 29 -6.509 -2.820 -12.736 1.00 0.00 C ATOM 456 O GLU A 29 -7.256 -2.841 -11.776 1.00 0.00 O ATOM 457 CB GLU A 29 -8.223 -1.472 -13.962 1.00 0.00 C ATOM 458 CG GLU A 29 -8.232 -0.442 -15.095 1.00 0.00 C ATOM 459 CD GLU A 29 -7.250 0.686 -14.773 1.00 0.00 C ATOM 460 OE1 GLU A 29 -6.101 0.383 -14.492 1.00 0.00 O ATOM 461 OE2 GLU A 29 -7.662 1.834 -14.813 1.00 0.00 O ATOM 0 H GLU A 29 -7.799 -4.348 -14.374 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.210 -1.845 -14.631 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.139 -2.062 -13.984 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.193 -0.967 -12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.957 -0.919 -16.036 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.236 -0.038 -15.224 1.00 0.00 H new ATOM 468 N SER A 30 -5.252 -3.167 -12.634 1.00 0.00 N ATOM 469 CA SER A 30 -4.691 -3.602 -11.322 1.00 0.00 C ATOM 470 C SER A 30 -3.288 -3.011 -11.153 1.00 0.00 C ATOM 471 O SER A 30 -2.572 -2.813 -12.117 1.00 0.00 O ATOM 472 CB SER A 30 -4.614 -5.133 -11.290 1.00 0.00 C ATOM 473 OG SER A 30 -5.098 -5.604 -10.039 1.00 0.00 O ATOM 0 H SER A 30 -4.587 -3.167 -13.408 1.00 0.00 H new ATOM 0 HA SER A 30 -5.331 -3.254 -10.511 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.205 -5.555 -12.103 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.585 -5.460 -11.441 1.00 0.00 H new ATOM 0 HG SER A 30 -4.775 -5.019 -9.322 1.00 0.00 H new ATOM 479 N ILE A 31 -2.891 -2.734 -9.938 1.00 0.00 N ATOM 480 CA ILE A 31 -1.533 -2.160 -9.701 1.00 0.00 C ATOM 481 C ILE A 31 -0.626 -3.252 -9.125 1.00 0.00 C ATOM 482 O ILE A 31 -1.009 -3.976 -8.223 1.00 0.00 O ATOM 483 CB ILE A 31 -1.628 -0.983 -8.721 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.706 -0.003 -9.200 1.00 0.00 C ATOM 485 CG2 ILE A 31 -0.281 -0.261 -8.660 1.00 0.00 C ATOM 486 CD1 ILE A 31 -3.057 0.968 -8.069 1.00 0.00 C ATOM 0 H ILE A 31 -3.450 -2.881 -9.098 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.117 -1.797 -10.641 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.888 -1.357 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.349 0.549 -10.069 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.596 -0.550 -9.513 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.348 0.575 -7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.489 -0.955 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.023 0.112 -9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.823 1.664 -8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.432 0.408 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.166 1.524 -7.777 1.00 0.00 H new ATOM 498 N VAL A 32 0.567 -3.386 -9.650 1.00 0.00 N ATOM 499 CA VAL A 32 1.501 -4.441 -9.153 1.00 0.00 C ATOM 500 C VAL A 32 2.671 -3.792 -8.409 1.00 0.00 C ATOM 501 O VAL A 32 3.002 -2.643 -8.632 1.00 0.00 O ATOM 502 CB VAL A 32 2.037 -5.233 -10.350 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.936 -6.375 -9.865 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.863 -5.810 -11.142 1.00 0.00 C ATOM 0 H VAL A 32 0.935 -2.807 -10.405 1.00 0.00 H new ATOM 0 HA VAL A 32 0.970 -5.106 -8.472 1.00 0.00 H new ATOM 0 HB VAL A 32 2.620 -4.568 -10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.312 -6.932 -10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.775 -5.964 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.362 -7.043 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.241 -6.374 -11.994 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.280 -6.470 -10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.229 -4.997 -11.497 1.00 0.00 H new ATOM 514 N VAL A 33 3.302 -4.530 -7.530 1.00 0.00 N ATOM 515 CA VAL A 33 4.460 -3.977 -6.768 1.00 0.00 C ATOM 516 C VAL A 33 5.611 -4.998 -6.783 1.00 0.00 C ATOM 517 O VAL A 33 5.641 -5.897 -5.963 1.00 0.00 O ATOM 518 CB VAL A 33 4.030 -3.701 -5.320 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.211 -3.141 -4.520 1.00 0.00 C ATOM 520 CG2 VAL A 33 2.888 -2.681 -5.314 1.00 0.00 C ATOM 0 H VAL A 33 3.062 -5.496 -7.308 1.00 0.00 H new ATOM 0 HA VAL A 33 4.795 -3.047 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 33 3.696 -4.633 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.897 -2.948 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.026 -3.865 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.551 -2.211 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.582 -2.484 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.226 -1.753 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.042 -3.078 -5.875 1.00 0.00 H new ATOM 530 N PRO A 34 6.529 -4.824 -7.711 1.00 0.00 N ATOM 531 CA PRO A 34 7.666 -5.775 -7.764 1.00 0.00 C ATOM 532 C PRO A 34 8.584 -5.558 -6.557 1.00 0.00 C ATOM 533 O PRO A 34 9.107 -6.498 -5.986 1.00 0.00 O ATOM 534 CB PRO A 34 8.394 -5.445 -9.066 1.00 0.00 C ATOM 535 CG PRO A 34 8.017 -3.996 -9.414 1.00 0.00 C ATOM 536 CD PRO A 34 6.716 -3.688 -8.654 1.00 0.00 C ATOM 0 HA PRO A 34 7.344 -6.816 -7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.472 -5.548 -8.946 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.095 -6.127 -9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.810 -3.308 -9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.875 -3.879 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.789 -2.741 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.872 -3.603 -9.339 1.00 0.00 H new ATOM 544 N ASN A 35 8.775 -4.324 -6.166 1.00 0.00 N ATOM 545 CA ASN A 35 9.647 -4.027 -4.992 1.00 0.00 C ATOM 546 C ASN A 35 8.943 -3.011 -4.092 1.00 0.00 C ATOM 547 O ASN A 35 9.007 -1.818 -4.321 1.00 0.00 O ATOM 548 CB ASN A 35 10.982 -3.449 -5.475 1.00 0.00 C ATOM 549 CG ASN A 35 12.050 -4.550 -5.499 1.00 0.00 C ATOM 550 OD1 ASN A 35 11.744 -5.718 -5.351 1.00 0.00 O ATOM 551 ND2 ASN A 35 13.301 -4.224 -5.680 1.00 0.00 N ATOM 0 H ASN A 35 8.362 -3.506 -6.613 1.00 0.00 H new ATOM 0 HA ASN A 35 9.836 -4.944 -4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.864 -3.023 -6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.297 -2.639 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.019 -4.948 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.560 -3.245 -5.804 1.00 0.00 H new ATOM 558 N ARG A 36 8.266 -3.478 -3.073 1.00 0.00 N ATOM 559 CA ARG A 36 7.547 -2.548 -2.153 1.00 0.00 C ATOM 560 C ARG A 36 8.510 -2.027 -1.085 1.00 0.00 C ATOM 561 O ARG A 36 8.464 -0.874 -0.705 1.00 0.00 O ATOM 562 CB ARG A 36 6.398 -3.297 -1.468 1.00 0.00 C ATOM 563 CG ARG A 36 5.497 -2.303 -0.719 1.00 0.00 C ATOM 564 CD ARG A 36 5.525 -2.606 0.783 1.00 0.00 C ATOM 565 NE ARG A 36 6.787 -2.075 1.371 1.00 0.00 N ATOM 566 CZ ARG A 36 7.425 -2.761 2.280 1.00 0.00 C ATOM 567 NH1 ARG A 36 7.784 -3.993 2.037 1.00 0.00 N ATOM 568 NH2 ARG A 36 7.708 -2.214 3.431 1.00 0.00 N ATOM 0 H ARG A 36 8.181 -4.467 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 36 7.154 -1.710 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.814 -3.842 -2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.797 -4.035 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.836 -1.283 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.476 -2.370 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.663 -2.152 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.457 -3.681 0.950 1.00 0.00 H new ATOM 0 HE ARG A 36 7.153 -1.174 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.566 -4.420 1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.283 -4.529 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.431 -1.251 3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.207 -2.750 4.141 1.00 0.00 H new ATOM 582 N GLU A 37 9.370 -2.876 -0.590 1.00 0.00 N ATOM 583 CA GLU A 37 10.333 -2.445 0.469 1.00 0.00 C ATOM 584 C GLU A 37 11.281 -1.379 -0.086 1.00 0.00 C ATOM 585 O GLU A 37 11.749 -0.520 0.639 1.00 0.00 O ATOM 586 CB GLU A 37 11.147 -3.653 0.941 1.00 0.00 C ATOM 587 CG GLU A 37 12.018 -3.255 2.142 1.00 0.00 C ATOM 588 CD GLU A 37 11.911 -4.322 3.235 1.00 0.00 C ATOM 589 OE1 GLU A 37 10.856 -4.421 3.838 1.00 0.00 O ATOM 590 OE2 GLU A 37 12.887 -5.021 3.449 1.00 0.00 O ATOM 0 H GLU A 37 9.449 -3.853 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 37 9.776 -2.026 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.478 -4.468 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.776 -4.019 0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.056 -3.144 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.697 -2.289 2.531 1.00 0.00 H new ATOM 597 N ARG A 38 11.568 -1.425 -1.362 1.00 0.00 N ATOM 598 CA ARG A 38 12.487 -0.413 -1.965 1.00 0.00 C ATOM 599 C ARG A 38 11.676 0.805 -2.412 1.00 0.00 C ATOM 600 O ARG A 38 12.089 1.936 -2.240 1.00 0.00 O ATOM 601 CB ARG A 38 13.209 -1.028 -3.169 1.00 0.00 C ATOM 602 CG ARG A 38 14.684 -0.612 -3.145 1.00 0.00 C ATOM 603 CD ARG A 38 15.477 -1.428 -4.173 1.00 0.00 C ATOM 604 NE ARG A 38 15.998 -0.515 -5.230 1.00 0.00 N ATOM 605 CZ ARG A 38 17.277 -0.270 -5.309 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.071 -1.130 -5.885 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.762 0.836 -4.813 1.00 0.00 N ATOM 0 H ARG A 38 11.205 -2.121 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 38 13.226 -0.103 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.126 -2.114 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.741 -0.696 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.774 0.452 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.098 -0.767 -2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.302 -1.946 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.840 -2.192 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 38 15.354 -0.082 -5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.692 -1.994 -6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.071 -0.939 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.141 1.509 -4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.762 1.027 -4.875 1.00 0.00 H new ATOM 621 N PHE A 39 10.518 0.578 -2.981 1.00 0.00 N ATOM 622 CA PHE A 39 9.658 1.712 -3.441 1.00 0.00 C ATOM 623 C PHE A 39 9.339 2.627 -2.244 1.00 0.00 C ATOM 624 O PHE A 39 9.788 3.754 -2.171 1.00 0.00 O ATOM 625 CB PHE A 39 8.363 1.124 -4.048 1.00 0.00 C ATOM 626 CG PHE A 39 7.266 2.170 -4.130 1.00 0.00 C ATOM 627 CD1 PHE A 39 7.284 3.134 -5.142 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.238 2.172 -3.179 1.00 0.00 C ATOM 629 CE1 PHE A 39 6.274 4.099 -5.207 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.227 3.137 -3.244 1.00 0.00 C ATOM 631 CZ PHE A 39 5.246 4.100 -4.259 1.00 0.00 C ATOM 0 H PHE A 39 10.129 -0.350 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 39 10.171 2.306 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.571 0.733 -5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.023 0.285 -3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.078 3.134 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.226 1.429 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.288 4.843 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.433 3.139 -2.512 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.466 4.845 -4.310 1.00 0.00 H new ATOM 641 N VAL A 40 8.552 2.139 -1.318 1.00 0.00 N ATOM 642 CA VAL A 40 8.164 2.950 -0.120 1.00 0.00 C ATOM 643 C VAL A 40 9.396 3.597 0.529 1.00 0.00 C ATOM 644 O VAL A 40 9.331 4.703 1.028 1.00 0.00 O ATOM 645 CB VAL A 40 7.490 2.022 0.901 1.00 0.00 C ATOM 646 CG1 VAL A 40 6.958 2.840 2.079 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.325 1.286 0.235 1.00 0.00 C ATOM 0 H VAL A 40 8.156 1.199 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 40 7.484 3.742 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 40 8.224 1.301 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.481 2.174 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.784 3.364 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.229 3.566 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.848 0.628 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.598 2.011 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.699 0.694 -0.601 1.00 0.00 H new ATOM 657 N GLN A 41 10.503 2.904 0.536 1.00 0.00 N ATOM 658 CA GLN A 41 11.742 3.448 1.173 1.00 0.00 C ATOM 659 C GLN A 41 12.161 4.786 0.543 1.00 0.00 C ATOM 660 O GLN A 41 12.347 5.766 1.242 1.00 0.00 O ATOM 661 CB GLN A 41 12.878 2.426 1.012 1.00 0.00 C ATOM 662 CG GLN A 41 13.193 1.779 2.367 1.00 0.00 C ATOM 663 CD GLN A 41 14.410 2.465 2.994 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.310 3.059 4.046 1.00 0.00 O ATOM 665 NE2 GLN A 41 15.562 2.404 2.384 1.00 0.00 N ATOM 0 H GLN A 41 10.605 1.976 0.125 1.00 0.00 H new ATOM 0 HA GLN A 41 11.536 3.626 2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.591 1.660 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.768 2.917 0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.333 1.865 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.390 0.715 2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.645 1.904 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 16.380 2.856 2.792 1.00 0.00 H new ATOM 674 N GLU A 42 12.345 4.834 -0.754 1.00 0.00 N ATOM 675 CA GLU A 42 12.794 6.109 -1.400 1.00 0.00 C ATOM 676 C GLU A 42 11.708 6.669 -2.323 1.00 0.00 C ATOM 677 O GLU A 42 11.999 7.165 -3.397 1.00 0.00 O ATOM 678 CB GLU A 42 14.060 5.840 -2.218 1.00 0.00 C ATOM 679 CG GLU A 42 15.222 5.526 -1.275 1.00 0.00 C ATOM 680 CD GLU A 42 16.543 5.892 -1.955 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.903 7.057 -1.919 1.00 0.00 O ATOM 682 OE2 GLU A 42 17.174 5.000 -2.499 1.00 0.00 O ATOM 0 H GLU A 42 12.205 4.050 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 42 12.996 6.841 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.895 5.005 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.300 6.708 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.112 6.085 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.216 4.468 -1.013 1.00 0.00 H new ATOM 689 N VAL A 43 10.467 6.608 -1.916 1.00 0.00 N ATOM 690 CA VAL A 43 9.370 7.152 -2.781 1.00 0.00 C ATOM 691 C VAL A 43 8.184 7.607 -1.918 1.00 0.00 C ATOM 692 O VAL A 43 7.568 8.616 -2.199 1.00 0.00 O ATOM 693 CB VAL A 43 8.906 6.074 -3.773 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.843 6.658 -4.711 1.00 0.00 C ATOM 695 CG2 VAL A 43 10.096 5.593 -4.609 1.00 0.00 C ATOM 0 H VAL A 43 10.163 6.208 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 43 9.753 8.011 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 43 8.486 5.237 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.516 5.891 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.990 7.001 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.266 7.498 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.762 4.829 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.517 6.434 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.857 5.174 -3.951 1.00 0.00 H new ATOM 705 N LEU A 44 7.850 6.877 -0.884 1.00 0.00 N ATOM 706 CA LEU A 44 6.695 7.279 -0.024 1.00 0.00 C ATOM 707 C LEU A 44 7.000 8.585 0.747 1.00 0.00 C ATOM 708 O LEU A 44 6.177 9.483 0.753 1.00 0.00 O ATOM 709 CB LEU A 44 6.387 6.147 0.963 1.00 0.00 C ATOM 710 CG LEU A 44 5.148 6.484 1.810 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.951 6.820 0.909 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.796 5.271 2.674 1.00 0.00 C ATOM 0 H LEU A 44 8.326 6.021 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 44 5.830 7.462 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.219 5.218 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.245 5.983 1.615 1.00 0.00 H new ATOM 0 HG LEU A 44 5.371 7.349 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.085 7.055 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.195 7.679 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.722 5.964 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.919 5.498 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.583 4.416 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.636 5.033 3.327 1.00 0.00 H new ATOM 724 N PRO A 45 8.159 8.657 1.385 1.00 0.00 N ATOM 725 CA PRO A 45 8.464 9.900 2.143 1.00 0.00 C ATOM 726 C PRO A 45 8.632 11.091 1.194 1.00 0.00 C ATOM 727 O PRO A 45 8.431 12.228 1.575 1.00 0.00 O ATOM 728 CB PRO A 45 9.771 9.606 2.878 1.00 0.00 C ATOM 729 CG PRO A 45 10.453 8.469 2.104 1.00 0.00 C ATOM 730 CD PRO A 45 9.357 7.784 1.273 1.00 0.00 C ATOM 0 HA PRO A 45 7.660 10.165 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.407 10.491 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.579 9.314 3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.242 8.858 1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.920 7.761 2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.665 7.675 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.148 6.783 1.650 1.00 0.00 H new ATOM 738 N LYS A 46 8.987 10.840 -0.039 1.00 0.00 N ATOM 739 CA LYS A 46 9.152 11.957 -1.014 1.00 0.00 C ATOM 740 C LYS A 46 7.790 12.624 -1.241 1.00 0.00 C ATOM 741 O LYS A 46 7.707 13.793 -1.564 1.00 0.00 O ATOM 742 CB LYS A 46 9.681 11.400 -2.343 1.00 0.00 C ATOM 743 CG LYS A 46 10.788 12.311 -2.886 1.00 0.00 C ATOM 744 CD LYS A 46 11.871 11.461 -3.562 1.00 0.00 C ATOM 745 CE LYS A 46 12.367 12.165 -4.827 1.00 0.00 C ATOM 746 NZ LYS A 46 12.764 11.144 -5.839 1.00 0.00 N ATOM 0 H LYS A 46 9.170 9.909 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 46 9.860 12.689 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.067 10.391 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.869 11.329 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.371 13.021 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.223 12.894 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.702 11.300 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.471 10.479 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.584 12.807 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.215 12.807 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.101 11.621 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.524 10.549 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.944 10.549 -6.072 1.00 0.00 H new ATOM 760 N TYR A 47 6.723 11.878 -1.083 1.00 0.00 N ATOM 761 CA TYR A 47 5.361 12.446 -1.296 1.00 0.00 C ATOM 762 C TYR A 47 4.866 13.131 -0.014 1.00 0.00 C ATOM 763 O TYR A 47 4.580 14.314 -0.006 1.00 0.00 O ATOM 764 CB TYR A 47 4.402 11.312 -1.666 1.00 0.00 C ATOM 765 CG TYR A 47 4.552 10.958 -3.129 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.789 10.524 -3.629 1.00 0.00 C ATOM 767 CD2 TYR A 47 3.448 11.051 -3.984 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.916 10.185 -4.983 1.00 0.00 C ATOM 769 CE2 TYR A 47 3.577 10.709 -5.335 1.00 0.00 C ATOM 770 CZ TYR A 47 4.810 10.276 -5.835 1.00 0.00 C ATOM 771 OH TYR A 47 4.937 9.937 -7.166 1.00 0.00 O ATOM 0 H TYR A 47 6.741 10.894 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 47 5.400 13.183 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.607 10.437 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.375 11.613 -1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.642 10.451 -2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.496 11.387 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.869 9.853 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.723 10.779 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 47 4.429 10.570 -7.715 1.00 0.00 H new ATOM 781 N PHE A 48 4.749 12.392 1.065 1.00 0.00 N ATOM 782 CA PHE A 48 4.255 12.995 2.345 1.00 0.00 C ATOM 783 C PHE A 48 5.431 13.263 3.289 1.00 0.00 C ATOM 784 O PHE A 48 6.548 12.863 3.030 1.00 0.00 O ATOM 785 CB PHE A 48 3.276 12.028 3.023 1.00 0.00 C ATOM 786 CG PHE A 48 2.231 11.566 2.032 1.00 0.00 C ATOM 787 CD1 PHE A 48 1.271 12.467 1.550 1.00 0.00 C ATOM 788 CD2 PHE A 48 2.223 10.236 1.595 1.00 0.00 C ATOM 789 CE1 PHE A 48 0.304 12.034 0.633 1.00 0.00 C ATOM 790 CE2 PHE A 48 1.257 9.806 0.679 1.00 0.00 C ATOM 791 CZ PHE A 48 0.298 10.704 0.199 1.00 0.00 C ATOM 0 H PHE A 48 4.974 11.398 1.114 1.00 0.00 H new ATOM 0 HA PHE A 48 3.751 13.935 2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.817 11.169 3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.794 12.519 3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.277 13.494 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.963 9.542 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.436 12.727 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.252 8.780 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.448 10.370 -0.507 1.00 0.00 H new ATOM 801 N LYS A 49 5.183 13.939 4.385 1.00 0.00 N ATOM 802 CA LYS A 49 6.282 14.236 5.354 1.00 0.00 C ATOM 803 C LYS A 49 6.372 13.111 6.386 1.00 0.00 C ATOM 804 O LYS A 49 7.445 12.643 6.719 1.00 0.00 O ATOM 805 CB LYS A 49 6.011 15.578 6.058 1.00 0.00 C ATOM 806 CG LYS A 49 4.736 15.507 6.912 1.00 0.00 C ATOM 807 CD LYS A 49 4.369 16.913 7.399 1.00 0.00 C ATOM 808 CE LYS A 49 3.543 16.817 8.686 1.00 0.00 C ATOM 809 NZ LYS A 49 2.104 17.048 8.368 1.00 0.00 N ATOM 0 H LYS A 49 4.266 14.298 4.650 1.00 0.00 H new ATOM 0 HA LYS A 49 7.228 14.305 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.861 15.839 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.911 16.369 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.917 15.087 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.892 14.845 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.274 17.493 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.802 17.438 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.673 15.836 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.890 17.554 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.541 16.983 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.988 17.993 7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.778 16.328 7.691 1.00 0.00 H new ATOM 823 N HIS A 50 5.247 12.681 6.889 1.00 0.00 N ATOM 824 CA HIS A 50 5.242 11.586 7.903 1.00 0.00 C ATOM 825 C HIS A 50 4.196 10.538 7.512 1.00 0.00 C ATOM 826 O HIS A 50 3.133 10.456 8.099 1.00 0.00 O ATOM 827 CB HIS A 50 4.900 12.169 9.277 1.00 0.00 C ATOM 828 CG HIS A 50 6.126 12.808 9.871 1.00 0.00 C ATOM 829 ND1 HIS A 50 7.173 12.059 10.388 1.00 0.00 N ATOM 830 CD2 HIS A 50 6.488 14.123 10.039 1.00 0.00 C ATOM 831 CE1 HIS A 50 8.105 12.921 10.836 1.00 0.00 C ATOM 832 NE2 HIS A 50 7.739 14.191 10.647 1.00 0.00 N ATOM 0 H HIS A 50 4.326 13.042 6.640 1.00 0.00 H new ATOM 0 HA HIS A 50 6.225 11.118 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.102 12.906 9.183 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.531 11.383 9.936 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.893 14.975 9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.036 12.621 11.293 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.263 15.030 10.895 1.00 0.00 H new ATOM 840 N SER A 51 4.491 9.739 6.518 1.00 0.00 N ATOM 841 CA SER A 51 3.524 8.691 6.076 1.00 0.00 C ATOM 842 C SER A 51 4.260 7.362 5.906 1.00 0.00 C ATOM 843 O SER A 51 5.442 7.333 5.615 1.00 0.00 O ATOM 844 CB SER A 51 2.899 9.102 4.743 1.00 0.00 C ATOM 845 OG SER A 51 1.734 8.321 4.510 1.00 0.00 O ATOM 0 H SER A 51 5.364 9.768 5.992 1.00 0.00 H new ATOM 0 HA SER A 51 2.739 8.580 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.643 10.161 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.615 8.959 3.933 1.00 0.00 H new ATOM 0 HG SER A 51 1.243 8.686 3.745 1.00 0.00 H new ATOM 851 N ASN A 52 3.572 6.265 6.088 1.00 0.00 N ATOM 852 CA ASN A 52 4.228 4.934 5.941 1.00 0.00 C ATOM 853 C ASN A 52 3.319 3.997 5.135 1.00 0.00 C ATOM 854 O ASN A 52 2.160 4.287 4.906 1.00 0.00 O ATOM 855 CB ASN A 52 4.492 4.340 7.333 1.00 0.00 C ATOM 856 CG ASN A 52 5.993 4.370 7.631 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.415 4.912 8.633 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.822 3.809 6.793 1.00 0.00 N ATOM 0 H ASN A 52 2.582 6.235 6.333 1.00 0.00 H new ATOM 0 HA ASN A 52 5.175 5.049 5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.950 4.907 8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.123 3.315 7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.825 3.826 6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.467 3.354 5.952 1.00 0.00 H new ATOM 865 N PHE A 53 3.847 2.878 4.700 1.00 0.00 N ATOM 866 CA PHE A 53 3.041 1.903 3.892 1.00 0.00 C ATOM 867 C PHE A 53 1.697 1.604 4.573 1.00 0.00 C ATOM 868 O PHE A 53 0.693 1.396 3.916 1.00 0.00 O ATOM 869 CB PHE A 53 3.829 0.598 3.747 1.00 0.00 C ATOM 870 CG PHE A 53 4.215 0.079 5.114 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.329 -0.734 5.831 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.460 0.411 5.664 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.688 -1.214 7.098 1.00 0.00 C ATOM 874 CE2 PHE A 53 5.817 -0.069 6.929 1.00 0.00 C ATOM 875 CZ PHE A 53 4.932 -0.882 7.646 1.00 0.00 C ATOM 0 H PHE A 53 4.812 2.594 4.871 1.00 0.00 H new ATOM 0 HA PHE A 53 2.846 2.341 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.228 -0.144 3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.723 0.767 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.369 -0.991 5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.144 1.038 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.004 -1.840 7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.777 0.188 7.352 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.209 -1.253 8.622 1.00 0.00 H new ATOM 885 N ALA A 54 1.675 1.577 5.879 1.00 0.00 N ATOM 886 CA ALA A 54 0.406 1.286 6.609 1.00 0.00 C ATOM 887 C ALA A 54 -0.631 2.370 6.300 1.00 0.00 C ATOM 888 O ALA A 54 -1.773 2.081 5.990 1.00 0.00 O ATOM 889 CB ALA A 54 0.682 1.263 8.113 1.00 0.00 C ATOM 0 H ALA A 54 2.486 1.745 6.475 1.00 0.00 H new ATOM 0 HA ALA A 54 0.020 0.318 6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.243 1.051 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.417 0.489 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.069 2.232 8.427 1.00 0.00 H new ATOM 895 N SER A 55 -0.238 3.615 6.388 1.00 0.00 N ATOM 896 CA SER A 55 -1.188 4.730 6.109 1.00 0.00 C ATOM 897 C SER A 55 -1.650 4.655 4.652 1.00 0.00 C ATOM 898 O SER A 55 -2.775 4.988 4.328 1.00 0.00 O ATOM 899 CB SER A 55 -0.482 6.065 6.358 1.00 0.00 C ATOM 900 OG SER A 55 -1.414 7.127 6.215 1.00 0.00 O ATOM 0 H SER A 55 0.706 3.907 6.643 1.00 0.00 H new ATOM 0 HA SER A 55 -2.055 4.648 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.049 6.079 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.340 6.191 5.653 1.00 0.00 H new ATOM 0 HG SER A 55 -0.963 7.982 6.376 1.00 0.00 H new ATOM 906 N PHE A 56 -0.785 4.219 3.775 1.00 0.00 N ATOM 907 CA PHE A 56 -1.151 4.117 2.333 1.00 0.00 C ATOM 908 C PHE A 56 -2.305 3.131 2.157 1.00 0.00 C ATOM 909 O PHE A 56 -3.252 3.388 1.437 1.00 0.00 O ATOM 910 CB PHE A 56 0.064 3.624 1.541 1.00 0.00 C ATOM 911 CG PHE A 56 -0.219 3.701 0.055 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.771 4.864 -0.496 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.077 2.609 -0.772 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.028 4.936 -1.869 1.00 0.00 C ATOM 915 CE2 PHE A 56 -0.178 2.683 -2.147 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.731 3.847 -2.694 1.00 0.00 C ATOM 0 H PHE A 56 0.167 3.927 3.998 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.460 5.097 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.937 4.229 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.299 2.597 1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.999 5.707 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.502 1.711 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.456 5.833 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.052 1.843 -2.785 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.928 3.904 -3.754 1.00 0.00 H new ATOM 926 N VAL A 57 -2.223 2.003 2.807 1.00 0.00 N ATOM 927 CA VAL A 57 -3.301 0.979 2.686 1.00 0.00 C ATOM 928 C VAL A 57 -4.605 1.530 3.272 1.00 0.00 C ATOM 929 O VAL A 57 -5.683 1.213 2.805 1.00 0.00 O ATOM 930 CB VAL A 57 -2.889 -0.285 3.448 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.935 -1.383 3.232 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.532 -0.776 2.931 1.00 0.00 C ATOM 0 H VAL A 57 -1.451 1.744 3.421 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.455 0.737 1.634 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.817 -0.054 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.638 -2.280 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.903 -1.040 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.009 -1.611 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.240 -1.675 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.608 -1.003 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.782 0.000 3.084 1.00 0.00 H new ATOM 942 N ARG A 58 -4.518 2.348 4.291 1.00 0.00 N ATOM 943 CA ARG A 58 -5.755 2.916 4.910 1.00 0.00 C ATOM 944 C ARG A 58 -6.515 3.758 3.878 1.00 0.00 C ATOM 945 O ARG A 58 -7.701 3.580 3.675 1.00 0.00 O ATOM 946 CB ARG A 58 -5.379 3.793 6.106 1.00 0.00 C ATOM 947 CG ARG A 58 -6.620 4.025 6.976 1.00 0.00 C ATOM 948 CD ARG A 58 -6.646 2.999 8.113 1.00 0.00 C ATOM 949 NE ARG A 58 -8.059 2.691 8.471 1.00 0.00 N ATOM 950 CZ ARG A 58 -8.813 3.614 9.001 1.00 0.00 C ATOM 951 NH1 ARG A 58 -8.412 4.247 10.070 1.00 0.00 N ATOM 952 NH2 ARG A 58 -9.966 3.906 8.466 1.00 0.00 N ATOM 0 H ARG A 58 -3.643 2.647 4.721 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.391 2.098 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.595 3.312 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.980 4.747 5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.607 5.036 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.523 3.937 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.130 2.089 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.116 3.389 8.982 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.437 1.759 8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.510 4.020 10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.000 4.969 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.280 3.412 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.553 4.628 8.883 1.00 0.00 H new ATOM 966 N GLN A 59 -5.841 4.673 3.226 1.00 0.00 N ATOM 967 CA GLN A 59 -6.519 5.532 2.204 1.00 0.00 C ATOM 968 C GLN A 59 -7.100 4.659 1.088 1.00 0.00 C ATOM 969 O GLN A 59 -8.216 4.860 0.646 1.00 0.00 O ATOM 970 CB GLN A 59 -5.500 6.501 1.593 1.00 0.00 C ATOM 971 CG GLN A 59 -5.279 7.723 2.499 1.00 0.00 C ATOM 972 CD GLN A 59 -4.885 7.284 3.912 1.00 0.00 C ATOM 973 OE1 GLN A 59 -5.713 6.819 4.670 1.00 0.00 O ATOM 974 NE2 GLN A 59 -3.648 7.418 4.302 1.00 0.00 N ATOM 0 H GLN A 59 -4.848 4.863 3.357 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.322 6.089 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.553 5.985 1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.849 6.830 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.498 8.357 2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.189 8.322 2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.952 7.808 3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.376 7.133 5.243 1.00 0.00 H new ATOM 983 N LEU A 60 -6.341 3.704 0.619 1.00 0.00 N ATOM 984 CA LEU A 60 -6.828 2.821 -0.483 1.00 0.00 C ATOM 985 C LEU A 60 -8.081 2.063 -0.045 1.00 0.00 C ATOM 986 O LEU A 60 -8.907 1.699 -0.858 1.00 0.00 O ATOM 987 CB LEU A 60 -5.737 1.813 -0.836 1.00 0.00 C ATOM 988 CG LEU A 60 -4.577 2.531 -1.529 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.391 1.567 -1.680 1.00 0.00 C ATOM 990 CD2 LEU A 60 -5.031 3.015 -2.910 1.00 0.00 C ATOM 0 H LEU A 60 -5.400 3.496 0.953 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.069 3.438 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.382 1.315 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.141 1.039 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.268 3.387 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.566 2.080 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.070 1.228 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.694 0.708 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.206 3.527 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.341 2.160 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.869 3.703 -2.797 1.00 0.00 H new ATOM 1002 N ASN A 61 -8.215 1.802 1.228 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.406 1.044 1.721 1.00 0.00 C ATOM 1004 C ASN A 61 -10.607 1.981 1.894 1.00 0.00 C ATOM 1005 O ASN A 61 -11.744 1.549 1.835 1.00 0.00 O ATOM 1006 CB ASN A 61 -9.074 0.390 3.062 1.00 0.00 C ATOM 1007 CG ASN A 61 -9.853 -0.919 3.193 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -10.743 -1.031 4.014 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -9.557 -1.921 2.412 1.00 0.00 N ATOM 0 H ASN A 61 -7.551 2.081 1.950 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.661 0.278 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.003 0.198 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.330 1.062 3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.072 -2.798 2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.811 -1.828 1.723 1.00 0.00 H new ATOM 1016 N MET A 62 -10.372 3.251 2.113 1.00 0.00 N ATOM 1017 CA MET A 62 -11.514 4.200 2.296 1.00 0.00 C ATOM 1018 C MET A 62 -12.225 4.423 0.958 1.00 0.00 C ATOM 1019 O MET A 62 -13.406 4.713 0.918 1.00 0.00 O ATOM 1020 CB MET A 62 -10.995 5.539 2.822 1.00 0.00 C ATOM 1021 CG MET A 62 -12.182 6.439 3.179 1.00 0.00 C ATOM 1022 SD MET A 62 -11.687 7.610 4.467 1.00 0.00 S ATOM 1023 CE MET A 62 -12.644 9.025 3.868 1.00 0.00 C ATOM 0 H MET A 62 -9.444 3.670 2.173 1.00 0.00 H new ATOM 0 HA MET A 62 -12.216 3.775 3.013 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.368 5.379 3.699 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.372 6.021 2.069 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.522 6.978 2.295 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.020 5.834 3.526 1.00 0.00 H new ATOM 0 HE1 MET A 62 -12.484 9.878 4.528 1.00 0.00 H new ATOM 0 HE2 MET A 62 -12.321 9.281 2.859 1.00 0.00 H new ATOM 0 HE3 MET A 62 -13.703 8.769 3.856 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.514 4.301 -0.134 1.00 0.00 N ATOM 1034 CA TYR A 63 -12.144 4.516 -1.471 1.00 0.00 C ATOM 1035 C TYR A 63 -12.614 3.177 -2.046 1.00 0.00 C ATOM 1036 O TYR A 63 -13.688 3.077 -2.608 1.00 0.00 O ATOM 1037 CB TYR A 63 -11.120 5.149 -2.416 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.609 6.433 -1.806 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.456 7.543 -1.708 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.292 6.515 -1.337 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.988 8.734 -1.140 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.823 7.705 -0.768 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.671 8.816 -0.670 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.209 9.990 -0.105 1.00 0.00 O ATOM 0 H TYR A 63 -10.523 4.061 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 63 -13.003 5.179 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.293 4.460 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.577 5.349 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.471 7.481 -2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.638 5.659 -1.414 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.643 9.590 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.808 7.767 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.275 9.876 0.169 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.813 2.154 -1.910 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.198 0.813 -2.445 1.00 0.00 C ATOM 1056 C GLY A 64 -11.015 0.212 -3.206 1.00 0.00 C ATOM 1057 O GLY A 64 -10.921 0.328 -4.414 1.00 0.00 O ATOM 0 H GLY A 64 -10.904 2.189 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.492 0.154 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.060 0.906 -3.105 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.111 -0.427 -2.507 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.927 -1.038 -3.180 1.00 0.00 C ATOM 1063 C TRP A 65 -8.381 -2.183 -2.322 1.00 0.00 C ATOM 1064 O TRP A 65 -7.857 -1.963 -1.245 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.832 0.019 -3.358 1.00 0.00 C ATOM 1066 CG TRP A 65 -8.135 0.866 -4.551 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.516 2.165 -4.508 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -8.089 0.500 -5.962 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -8.702 2.619 -5.802 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -8.453 1.628 -6.733 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -7.769 -0.690 -6.639 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -8.498 1.578 -8.127 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -7.813 -0.745 -8.042 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -8.176 0.388 -8.784 1.00 0.00 C ATOM 0 H TRP A 65 -10.143 -0.552 -1.495 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.230 -1.421 -4.155 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.766 0.642 -2.466 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.863 -0.465 -3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.652 2.751 -3.611 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.988 3.569 -6.040 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.487 -1.568 -6.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.780 2.453 -8.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.566 -1.665 -8.552 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.207 0.341 -9.863 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.489 -3.401 -2.792 1.00 0.00 N ATOM 1086 CA HIS A 66 -7.964 -4.559 -2.009 1.00 0.00 C ATOM 1087 C HIS A 66 -6.454 -4.675 -2.233 1.00 0.00 C ATOM 1088 O HIS A 66 -5.877 -3.937 -3.010 1.00 0.00 O ATOM 1089 CB HIS A 66 -8.655 -5.849 -2.462 1.00 0.00 C ATOM 1090 CG HIS A 66 -9.999 -5.966 -1.794 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.018 -6.750 -2.314 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -10.501 -5.414 -0.641 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.072 -6.650 -1.481 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -11.810 -5.848 -0.446 1.00 0.00 N ATOM 0 H HIS A 66 -8.919 -3.642 -3.685 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.165 -4.403 -0.949 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.775 -5.847 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.037 -6.711 -2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.963 -4.745 0.015 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.014 -7.157 -1.632 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.435 -5.605 0.323 1.00 0.00 H new ATOM 1102 N LYS A 67 -5.811 -5.588 -1.554 1.00 0.00 N ATOM 1103 CA LYS A 67 -4.332 -5.749 -1.718 1.00 0.00 C ATOM 1104 C LYS A 67 -3.898 -7.125 -1.212 1.00 0.00 C ATOM 1105 O LYS A 67 -2.772 -7.309 -0.791 1.00 0.00 O ATOM 1106 CB LYS A 67 -3.579 -4.661 -0.931 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.307 -4.335 0.383 1.00 0.00 C ATOM 1108 CD LYS A 67 -4.281 -5.554 1.308 1.00 0.00 C ATOM 1109 CE LYS A 67 -4.329 -5.096 2.771 1.00 0.00 C ATOM 1110 NZ LYS A 67 -5.417 -5.826 3.481 1.00 0.00 N ATOM 0 H LYS A 67 -6.245 -6.231 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.093 -5.654 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.565 -4.997 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.494 -3.760 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.830 -3.486 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.337 -4.046 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.129 -6.204 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.378 -6.138 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.371 -5.287 3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.503 -4.021 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.763 -5.248 4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.199 -6.012 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.049 -6.728 3.845 1.00 0.00 H new ATOM 1124 N VAL A 68 -4.779 -8.095 -1.251 1.00 0.00 N ATOM 1125 CA VAL A 68 -4.416 -9.470 -0.772 1.00 0.00 C ATOM 1126 C VAL A 68 -3.964 -9.387 0.692 1.00 0.00 C ATOM 1127 O VAL A 68 -4.025 -8.338 1.306 1.00 0.00 O ATOM 1128 CB VAL A 68 -3.272 -10.072 -1.622 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -3.452 -11.595 -1.718 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -3.265 -9.480 -3.044 1.00 0.00 C ATOM 0 H VAL A 68 -5.735 -7.996 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.291 -10.112 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.326 -9.830 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.646 -12.020 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.428 -12.028 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.410 -11.819 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.450 -9.922 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.214 -9.698 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.126 -8.400 -2.988 1.00 0.00 H new ATOM 1140 N GLN A 69 -3.507 -10.479 1.252 1.00 0.00 N ATOM 1141 CA GLN A 69 -3.046 -10.464 2.670 1.00 0.00 C ATOM 1142 C GLN A 69 -1.589 -10.933 2.731 1.00 0.00 C ATOM 1143 O GLN A 69 -1.311 -12.091 2.977 1.00 0.00 O ATOM 1144 CB GLN A 69 -3.924 -11.403 3.499 1.00 0.00 C ATOM 1145 CG GLN A 69 -5.115 -10.622 4.061 1.00 0.00 C ATOM 1146 CD GLN A 69 -4.644 -9.728 5.210 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -4.685 -8.518 5.108 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -4.193 -10.276 6.305 1.00 0.00 N ATOM 0 H GLN A 69 -3.434 -11.383 0.784 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.120 -9.453 3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.276 -12.229 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.343 -11.838 4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.568 -10.016 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.882 -11.312 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.159 -11.292 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.875 -9.688 7.076 1.00 0.00 H new ATOM 1157 N ASP A 70 -0.660 -10.038 2.501 1.00 0.00 N ATOM 1158 CA ASP A 70 0.784 -10.418 2.536 1.00 0.00 C ATOM 1159 C ASP A 70 1.153 -10.934 3.931 1.00 0.00 C ATOM 1160 O ASP A 70 1.954 -11.840 4.071 1.00 0.00 O ATOM 1161 CB ASP A 70 1.639 -9.192 2.197 1.00 0.00 C ATOM 1162 CG ASP A 70 2.819 -9.611 1.315 1.00 0.00 C ATOM 1163 OD1 ASP A 70 3.496 -10.560 1.675 1.00 0.00 O ATOM 1164 OD2 ASP A 70 3.027 -8.975 0.294 1.00 0.00 O ATOM 0 H ASP A 70 -0.842 -9.057 2.290 1.00 0.00 H new ATOM 0 HA ASP A 70 0.969 -11.206 1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.034 -8.447 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.004 -8.727 3.113 1.00 0.00 H new ATOM 1169 N VAL A 71 0.578 -10.363 4.959 1.00 0.00 N ATOM 1170 CA VAL A 71 0.895 -10.816 6.344 1.00 0.00 C ATOM 1171 C VAL A 71 0.191 -12.168 6.613 1.00 0.00 C ATOM 1172 O VAL A 71 0.678 -13.207 6.203 1.00 0.00 O ATOM 1173 CB VAL A 71 0.447 -9.733 7.339 1.00 0.00 C ATOM 1174 CG1 VAL A 71 0.731 -10.195 8.771 1.00 0.00 C ATOM 1175 CG2 VAL A 71 1.217 -8.437 7.061 1.00 0.00 C ATOM 0 H VAL A 71 -0.098 -9.602 4.897 1.00 0.00 H new ATOM 0 HA VAL A 71 1.968 -10.967 6.465 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.622 -9.557 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.412 -9.424 9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.184 -11.116 8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.800 -10.374 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.901 -7.668 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.286 -8.617 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.013 -8.103 6.044 1.00 0.00 H new ATOM 1185 N LYS A 72 -0.946 -12.176 7.287 1.00 0.00 N ATOM 1186 CA LYS A 72 -1.665 -13.461 7.566 1.00 0.00 C ATOM 1187 C LYS A 72 -0.709 -14.484 8.194 1.00 0.00 C ATOM 1188 O LYS A 72 0.392 -14.152 8.592 1.00 0.00 O ATOM 1189 CB LYS A 72 -2.235 -14.021 6.255 1.00 0.00 C ATOM 1190 CG LYS A 72 -3.716 -14.367 6.442 1.00 0.00 C ATOM 1191 CD LYS A 72 -4.167 -15.310 5.326 1.00 0.00 C ATOM 1192 CE LYS A 72 -4.582 -14.492 4.102 1.00 0.00 C ATOM 1193 NZ LYS A 72 -5.460 -15.319 3.228 1.00 0.00 N ATOM 0 H LYS A 72 -1.403 -11.342 7.654 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.477 -13.268 8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.121 -13.289 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.679 -14.909 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.870 -14.837 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.317 -13.458 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.359 -15.992 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.002 -15.922 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.108 -13.590 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.699 -14.171 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.743 -14.764 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.943 -16.167 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.308 -15.604 3.758 1.00 0.00 H new ATOM 1207 N SER A 73 -1.125 -15.722 8.283 1.00 0.00 N ATOM 1208 CA SER A 73 -0.248 -16.767 8.879 1.00 0.00 C ATOM 1209 C SER A 73 0.594 -17.417 7.762 1.00 0.00 C ATOM 1210 O SER A 73 1.627 -16.892 7.393 1.00 0.00 O ATOM 1211 CB SER A 73 -1.116 -17.806 9.602 1.00 0.00 C ATOM 1212 OG SER A 73 -1.776 -17.185 10.698 1.00 0.00 O ATOM 0 H SER A 73 -2.037 -16.052 7.967 1.00 0.00 H new ATOM 0 HA SER A 73 0.431 -16.325 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.848 -18.228 8.913 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.498 -18.631 9.955 1.00 0.00 H new ATOM 0 HG SER A 73 -2.333 -17.845 11.161 1.00 0.00 H new ATOM 1218 N GLY A 74 0.165 -18.539 7.210 1.00 0.00 N ATOM 1219 CA GLY A 74 0.942 -19.208 6.109 1.00 0.00 C ATOM 1220 C GLY A 74 2.427 -19.318 6.476 1.00 0.00 C ATOM 1221 O GLY A 74 3.282 -18.787 5.790 1.00 0.00 O ATOM 0 H GLY A 74 -0.694 -19.019 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.535 -20.202 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.833 -18.641 5.185 1.00 0.00 H new ATOM 1225 N SER A 75 2.741 -19.996 7.554 1.00 0.00 N ATOM 1226 CA SER A 75 4.170 -20.135 7.972 1.00 0.00 C ATOM 1227 C SER A 75 4.770 -18.743 8.206 1.00 0.00 C ATOM 1228 O SER A 75 5.153 -18.061 7.274 1.00 0.00 O ATOM 1229 CB SER A 75 4.957 -20.864 6.877 1.00 0.00 C ATOM 1230 OG SER A 75 5.739 -21.894 7.467 1.00 0.00 O ATOM 0 H SER A 75 2.067 -20.460 8.163 1.00 0.00 H new ATOM 0 HA SER A 75 4.226 -20.711 8.896 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.273 -21.287 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.600 -20.162 6.347 1.00 0.00 H new ATOM 0 HG SER A 75 6.242 -22.363 6.769 1.00 0.00 H new ATOM 1236 N MET A 76 4.840 -18.320 9.440 1.00 0.00 N ATOM 1237 CA MET A 76 5.399 -16.970 9.742 1.00 0.00 C ATOM 1238 C MET A 76 6.660 -17.115 10.597 1.00 0.00 C ATOM 1239 O MET A 76 6.964 -16.267 11.415 1.00 0.00 O ATOM 1240 CB MET A 76 4.353 -16.150 10.502 1.00 0.00 C ATOM 1241 CG MET A 76 3.912 -16.915 11.751 1.00 0.00 C ATOM 1242 SD MET A 76 2.777 -15.893 12.718 1.00 0.00 S ATOM 1243 CE MET A 76 3.937 -15.463 14.037 1.00 0.00 C ATOM 0 H MET A 76 4.533 -18.853 10.254 1.00 0.00 H new ATOM 0 HA MET A 76 5.654 -16.464 8.811 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.769 -15.182 10.783 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.494 -15.954 9.861 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.425 -17.847 11.466 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.781 -17.181 12.353 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.440 -14.821 14.764 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.280 -16.372 14.530 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.791 -14.936 13.613 1.00 0.00 H new ATOM 1253 N LEU A 77 7.391 -18.181 10.410 1.00 0.00 N ATOM 1254 CA LEU A 77 8.635 -18.394 11.205 1.00 0.00 C ATOM 1255 C LEU A 77 9.805 -17.684 10.522 1.00 0.00 C ATOM 1256 O LEU A 77 10.712 -17.197 11.171 1.00 0.00 O ATOM 1257 CB LEU A 77 8.926 -19.894 11.292 1.00 0.00 C ATOM 1258 CG LEU A 77 8.362 -20.449 12.601 1.00 0.00 C ATOM 1259 CD1 LEU A 77 8.489 -21.974 12.608 1.00 0.00 C ATOM 1260 CD2 LEU A 77 9.145 -19.869 13.778 1.00 0.00 C ATOM 0 H LEU A 77 7.179 -18.917 9.737 1.00 0.00 H new ATOM 0 HA LEU A 77 8.503 -17.988 12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.479 -20.412 10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.001 -20.070 11.243 1.00 0.00 H new ATOM 0 HG LEU A 77 7.311 -20.172 12.689 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.087 -22.368 13.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.932 -22.389 11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.539 -22.252 12.519 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.744 -20.264 14.712 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.195 -20.146 13.688 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.055 -18.783 13.775 1.00 0.00 H new ATOM 1272 N SER A 78 9.787 -17.622 9.215 1.00 0.00 N ATOM 1273 CA SER A 78 10.891 -16.947 8.474 1.00 0.00 C ATOM 1274 C SER A 78 10.443 -16.681 7.032 1.00 0.00 C ATOM 1275 O SER A 78 11.138 -16.997 6.084 1.00 0.00 O ATOM 1276 CB SER A 78 12.129 -17.846 8.475 1.00 0.00 C ATOM 1277 OG SER A 78 11.726 -19.200 8.313 1.00 0.00 O ATOM 0 H SER A 78 9.050 -18.013 8.628 1.00 0.00 H new ATOM 0 HA SER A 78 11.135 -16.001 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.804 -17.556 7.669 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.678 -17.727 9.409 1.00 0.00 H new ATOM 0 HG SER A 78 12.517 -19.779 8.311 1.00 0.00 H new ATOM 1283 N ASN A 79 9.279 -16.102 6.864 1.00 0.00 N ATOM 1284 CA ASN A 79 8.769 -15.812 5.491 1.00 0.00 C ATOM 1285 C ASN A 79 8.380 -14.331 5.401 1.00 0.00 C ATOM 1286 O ASN A 79 7.827 -13.774 6.329 1.00 0.00 O ATOM 1287 CB ASN A 79 7.541 -16.684 5.212 1.00 0.00 C ATOM 1288 CG ASN A 79 7.315 -16.785 3.702 1.00 0.00 C ATOM 1289 OD1 ASN A 79 7.239 -15.781 3.021 1.00 0.00 O ATOM 1290 ND2 ASN A 79 7.201 -17.961 3.147 1.00 0.00 N ATOM 0 H ASN A 79 8.659 -15.817 7.623 1.00 0.00 H new ATOM 0 HA ASN A 79 9.543 -16.031 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.685 -17.678 5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.662 -16.256 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.048 -18.038 2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.265 -18.803 3.719 1.00 0.00 H new ATOM 1297 N ASN A 80 8.669 -13.691 4.293 1.00 0.00 N ATOM 1298 CA ASN A 80 8.321 -12.244 4.151 1.00 0.00 C ATOM 1299 C ASN A 80 8.090 -11.898 2.676 1.00 0.00 C ATOM 1300 O ASN A 80 6.995 -11.547 2.279 1.00 0.00 O ATOM 1301 CB ASN A 80 9.467 -11.388 4.699 1.00 0.00 C ATOM 1302 CG ASN A 80 9.198 -11.044 6.167 1.00 0.00 C ATOM 1303 OD1 ASN A 80 9.463 -11.840 7.047 1.00 0.00 O ATOM 1304 ND2 ASN A 80 8.685 -9.883 6.470 1.00 0.00 N ATOM 0 H ASN A 80 9.129 -14.108 3.484 1.00 0.00 H new ATOM 0 HA ASN A 80 7.408 -12.042 4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.411 -11.926 4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.563 -10.474 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.506 -9.643 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.463 -9.215 5.732 1.00 0.00 H new ATOM 1311 N ASP A 81 9.119 -11.980 1.865 1.00 0.00 N ATOM 1312 CA ASP A 81 8.972 -11.643 0.413 1.00 0.00 C ATOM 1313 C ASP A 81 8.521 -10.187 0.272 1.00 0.00 C ATOM 1314 O ASP A 81 8.253 -9.518 1.252 1.00 0.00 O ATOM 1315 CB ASP A 81 7.937 -12.565 -0.238 1.00 0.00 C ATOM 1316 CG ASP A 81 8.642 -13.792 -0.820 1.00 0.00 C ATOM 1317 OD1 ASP A 81 9.314 -14.476 -0.066 1.00 0.00 O ATOM 1318 OD2 ASP A 81 8.498 -14.025 -2.008 1.00 0.00 O ATOM 0 H ASP A 81 10.056 -12.267 2.147 1.00 0.00 H new ATOM 0 HA ASP A 81 9.932 -11.780 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.195 -12.874 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.403 -12.032 -1.025 1.00 0.00 H new ATOM 1323 N SER A 82 8.437 -9.691 -0.937 1.00 0.00 N ATOM 1324 CA SER A 82 8.004 -8.277 -1.136 1.00 0.00 C ATOM 1325 C SER A 82 7.295 -8.132 -2.488 1.00 0.00 C ATOM 1326 O SER A 82 7.808 -7.526 -3.411 1.00 0.00 O ATOM 1327 CB SER A 82 9.227 -7.358 -1.091 1.00 0.00 C ATOM 1328 OG SER A 82 9.742 -7.322 0.235 1.00 0.00 O ATOM 0 H SER A 82 8.649 -10.204 -1.792 1.00 0.00 H new ATOM 0 HA SER A 82 7.311 -7.998 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.991 -7.717 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.953 -6.354 -1.414 1.00 0.00 H new ATOM 0 HG SER A 82 9.230 -7.936 0.802 1.00 0.00 H new ATOM 1334 N ARG A 83 6.113 -8.678 -2.600 1.00 0.00 N ATOM 1335 CA ARG A 83 5.344 -8.572 -3.874 1.00 0.00 C ATOM 1336 C ARG A 83 3.883 -8.280 -3.531 1.00 0.00 C ATOM 1337 O ARG A 83 3.137 -9.163 -3.151 1.00 0.00 O ATOM 1338 CB ARG A 83 5.454 -9.891 -4.656 1.00 0.00 C ATOM 1339 CG ARG A 83 5.937 -9.608 -6.083 1.00 0.00 C ATOM 1340 CD ARG A 83 6.539 -10.881 -6.686 1.00 0.00 C ATOM 1341 NE ARG A 83 7.707 -10.520 -7.539 1.00 0.00 N ATOM 1342 CZ ARG A 83 7.670 -10.734 -8.827 1.00 0.00 C ATOM 1343 NH1 ARG A 83 7.413 -11.930 -9.282 1.00 0.00 N ATOM 1344 NH2 ARG A 83 7.893 -9.754 -9.658 1.00 0.00 N ATOM 0 H ARG A 83 5.644 -9.197 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 83 5.745 -7.770 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.148 -10.565 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.486 -10.391 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.106 -9.261 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.681 -8.811 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.850 -11.561 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.790 -11.405 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 83 8.537 -10.105 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.241 -12.697 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.384 -12.098 -10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.096 -8.820 -9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.864 -9.922 -10.664 1.00 0.00 H new ATOM 1358 N TRP A 84 3.479 -7.040 -3.641 1.00 0.00 N ATOM 1359 CA TRP A 84 2.076 -6.672 -3.297 1.00 0.00 C ATOM 1360 C TRP A 84 1.225 -6.592 -4.567 1.00 0.00 C ATOM 1361 O TRP A 84 1.724 -6.361 -5.653 1.00 0.00 O ATOM 1362 CB TRP A 84 2.061 -5.301 -2.613 1.00 0.00 C ATOM 1363 CG TRP A 84 2.620 -5.388 -1.225 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.677 -6.147 -0.840 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.175 -4.679 -0.031 1.00 0.00 C ATOM 1366 NE1 TRP A 84 3.900 -5.950 0.511 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.000 -5.055 1.054 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.141 -3.757 0.211 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.809 -4.533 2.334 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.945 -3.229 1.497 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.777 -3.617 2.557 1.00 0.00 C ATOM 0 H TRP A 84 4.064 -6.266 -3.955 1.00 0.00 H new ATOM 0 HA TRP A 84 1.668 -7.432 -2.631 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.644 -4.591 -3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.040 -4.921 -2.575 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.250 -6.798 -1.483 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.640 -6.410 1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.493 -3.453 -0.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.454 -4.835 3.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.149 -2.520 1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.621 -3.209 3.544 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.064 -6.764 -4.424 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.979 -6.682 -5.596 1.00 0.00 C ATOM 1384 C GLU A 85 -2.091 -5.683 -5.268 1.00 0.00 C ATOM 1385 O GLU A 85 -2.198 -5.225 -4.145 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.583 -8.060 -5.877 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.480 -9.020 -6.342 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.666 -10.382 -5.670 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -1.767 -10.903 -5.728 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.296 -10.879 -5.108 1.00 0.00 O ATOM 0 H GLU A 85 -0.524 -6.960 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.431 -6.355 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.062 -8.448 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.356 -7.980 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.514 -9.131 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.500 -8.612 -6.094 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.911 -5.334 -6.227 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.004 -4.352 -5.949 1.00 0.00 C ATOM 1399 C PHE A 86 -5.160 -4.550 -6.928 1.00 0.00 C ATOM 1400 O PHE A 86 -5.107 -4.108 -8.060 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.456 -2.936 -6.108 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.572 -2.603 -4.933 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -3.137 -2.124 -3.746 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.186 -2.770 -5.031 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -2.317 -1.810 -2.655 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.366 -2.458 -3.942 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.931 -1.978 -2.754 1.00 0.00 C ATOM 0 H PHE A 86 -2.872 -5.684 -7.184 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.368 -4.506 -4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.890 -2.856 -7.036 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.277 -2.222 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.207 -1.996 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.750 -3.140 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.753 -1.439 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.704 -2.587 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.297 -1.737 -1.914 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.213 -5.195 -6.493 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.389 -5.412 -7.386 1.00 0.00 C ATOM 1419 C GLU A 87 -8.562 -4.574 -6.878 1.00 0.00 C ATOM 1420 O GLU A 87 -8.464 -3.907 -5.865 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.779 -6.891 -7.377 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.028 -7.629 -8.486 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.631 -9.024 -8.667 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -7.200 -9.928 -7.970 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -8.513 -9.163 -9.497 1.00 0.00 O ATOM 0 H GLU A 87 -6.308 -5.582 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.134 -5.115 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.544 -7.333 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.854 -6.994 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.093 -7.069 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.970 -7.708 -8.234 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.671 -4.606 -7.573 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.857 -3.813 -7.132 1.00 0.00 C ATOM 1434 C ASN A 88 -11.369 -4.370 -5.801 1.00 0.00 C ATOM 1435 O ASN A 88 -11.093 -5.500 -5.446 1.00 0.00 O ATOM 1436 CB ASN A 88 -11.960 -3.911 -8.199 1.00 0.00 C ATOM 1437 CG ASN A 88 -12.342 -2.508 -8.681 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -13.473 -2.089 -8.529 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -11.441 -1.760 -9.255 1.00 0.00 N ATOM 0 H ASN A 88 -9.806 -5.147 -8.427 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.576 -2.768 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.613 -4.512 -9.039 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -12.834 -4.414 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.685 -0.823 -9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.492 -2.112 -9.382 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.114 -3.582 -5.064 1.00 0.00 N ATOM 1447 CA GLU A 89 -12.647 -4.058 -3.754 1.00 0.00 C ATOM 1448 C GLU A 89 -14.107 -4.522 -3.935 1.00 0.00 C ATOM 1449 O GLU A 89 -14.349 -5.668 -4.261 1.00 0.00 O ATOM 1450 CB GLU A 89 -12.544 -2.920 -2.720 1.00 0.00 C ATOM 1451 CG GLU A 89 -13.126 -3.371 -1.370 1.00 0.00 C ATOM 1452 CD GLU A 89 -14.028 -2.273 -0.799 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -13.496 -1.327 -0.243 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -15.234 -2.398 -0.928 1.00 0.00 O ATOM 0 H GLU A 89 -12.375 -2.629 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.063 -4.904 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.502 -2.627 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.081 -2.042 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.696 -4.291 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.319 -3.591 -0.671 1.00 0.00 H new ATOM 1461 N ARG A 90 -15.075 -3.654 -3.733 1.00 0.00 N ATOM 1462 CA ARG A 90 -16.502 -4.061 -3.897 1.00 0.00 C ATOM 1463 C ARG A 90 -17.310 -2.860 -4.391 1.00 0.00 C ATOM 1464 O ARG A 90 -16.770 -1.794 -4.619 1.00 0.00 O ATOM 1465 CB ARG A 90 -17.061 -4.524 -2.546 1.00 0.00 C ATOM 1466 CG ARG A 90 -16.860 -6.035 -2.389 1.00 0.00 C ATOM 1467 CD ARG A 90 -16.521 -6.358 -0.931 1.00 0.00 C ATOM 1468 NE ARG A 90 -17.743 -6.204 -0.091 1.00 0.00 N ATOM 1469 CZ ARG A 90 -18.232 -7.234 0.541 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -19.097 -8.012 -0.049 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -17.856 -7.489 1.764 1.00 0.00 N ATOM 0 H ARG A 90 -14.933 -2.681 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.570 -4.876 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -16.560 -3.995 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -18.121 -4.280 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.764 -6.566 -2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.058 -6.376 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.138 -7.376 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.735 -5.693 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.196 -5.294 -0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.391 -7.815 -1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.479 -8.818 0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -17.179 -6.882 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.239 -8.295 2.258 1.00 0.00 H new ATOM 1485 N HIS A 91 -18.599 -3.021 -4.549 1.00 0.00 N ATOM 1486 CA HIS A 91 -19.446 -1.886 -5.022 1.00 0.00 C ATOM 1487 C HIS A 91 -20.820 -1.969 -4.350 1.00 0.00 C ATOM 1488 O HIS A 91 -21.628 -2.822 -4.667 1.00 0.00 O ATOM 1489 CB HIS A 91 -19.599 -1.958 -6.551 1.00 0.00 C ATOM 1490 CG HIS A 91 -18.988 -0.735 -7.186 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -19.411 -0.252 -8.415 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -17.988 0.112 -6.774 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -18.675 0.839 -8.696 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -17.792 1.105 -7.729 1.00 0.00 N ATOM 0 H HIS A 91 -19.101 -3.891 -4.371 1.00 0.00 H new ATOM 0 HA HIS A 91 -18.974 -0.939 -4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -19.114 -2.857 -6.932 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -20.654 -2.028 -6.817 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.438 0.021 -5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -18.785 1.428 -9.594 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -17.119 1.871 -7.698 1.00 0.00 H new ATOM 1502 N ALA A 92 -21.085 -1.084 -3.421 1.00 0.00 N ATOM 1503 CA ALA A 92 -22.399 -1.096 -2.716 1.00 0.00 C ATOM 1504 C ALA A 92 -23.330 -0.065 -3.357 1.00 0.00 C ATOM 1505 O ALA A 92 -24.287 -0.475 -3.993 1.00 0.00 O ATOM 1506 CB ALA A 92 -22.187 -0.746 -1.241 1.00 0.00 C ATOM 1507 OXT ALA A 92 -23.070 1.117 -3.201 1.00 0.00 O ATOM 0 H ALA A 92 -20.443 -0.351 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.846 -2.087 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.146 -0.754 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.522 -1.480 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -21.741 0.246 -1.163 1.00 0.00 H new TER 1513 ALA A 92