USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=17 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.3!) USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 SER OG : rot -64:sc= 1.2 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 90:sc= 0.147 USER MOD Single : A 12 MET CE :methyl -177:sc= -0.108 (180deg=-0.12) USER MOD Single : A 14 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.09) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00951 USER MOD Single : A 18 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.25) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.604 X(o=-0.6,f=-0.74) USER MOD Single : A 25 SER OG : rot 180:sc= -1.58 USER MOD Single : A 26 THR OG1 : rot -22:sc= 0.491 USER MOD Single : A 27 SER OG : rot 16:sc= 1.22 USER MOD Single : A 30 SER OG : rot -170:sc= -0.784 USER MOD Single : A 35 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ 144:sc= -0.293 (180deg=-1.51!) USER MOD Single : A 47 TYR OH : rot 145:sc= 0.0399 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=-0.5) USER MOD Single : A 52 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.2) USER MOD Single : A 59 GLN : amide:sc= -3.39 K(o=-3.4,f=-5.9!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-3.3!) USER MOD Single : A 69 GLN : amide:sc= -0.896 K(o=-0.9,f=-0.29) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 114:sc= 1.34 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.061 USER MOD Single : A 79 ASN : amide:sc= -0.0503 K(o=-0.05,f=-0.71) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.75 X(o=-0.75,f=-1.1) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.926 15.687 -11.264 1.00 0.00 N ATOM 2 CA ALA A 1 -13.886 15.567 -9.778 1.00 0.00 C ATOM 3 C ALA A 1 -13.016 14.372 -9.385 1.00 0.00 C ATOM 4 O ALA A 1 -13.412 13.230 -9.535 1.00 0.00 O ATOM 5 CB ALA A 1 -15.304 15.360 -9.243 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.518 16.500 -11.531 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.962 15.827 -11.627 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.327 14.818 -11.672 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.466 16.479 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.274 15.272 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.926 16.211 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.724 14.449 -9.669 1.00 0.00 H new ATOM 13 N ARG A 2 -11.834 14.628 -8.886 1.00 0.00 N ATOM 14 CA ARG A 2 -10.927 13.513 -8.481 1.00 0.00 C ATOM 15 C ARG A 2 -10.460 13.737 -7.037 1.00 0.00 C ATOM 16 O ARG A 2 -10.100 14.843 -6.678 1.00 0.00 O ATOM 17 CB ARG A 2 -9.704 13.484 -9.406 1.00 0.00 C ATOM 18 CG ARG A 2 -10.154 13.504 -10.871 1.00 0.00 C ATOM 19 CD ARG A 2 -10.730 12.139 -11.249 1.00 0.00 C ATOM 20 NE ARG A 2 -11.596 12.283 -12.454 1.00 0.00 N ATOM 21 CZ ARG A 2 -11.321 11.616 -13.542 1.00 0.00 C ATOM 22 NH1 ARG A 2 -10.098 11.579 -13.995 1.00 0.00 N ATOM 23 NH2 ARG A 2 -12.270 10.989 -14.179 1.00 0.00 N ATOM 0 H ARG A 2 -11.457 15.565 -8.741 1.00 0.00 H new ATOM 0 HA ARG A 2 -11.463 12.566 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.063 14.342 -9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.112 12.590 -9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.904 14.281 -11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.311 13.746 -11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.923 11.434 -11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.308 11.733 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.405 12.904 -12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.355 12.072 -13.499 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.885 11.057 -14.845 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.227 11.020 -13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.056 10.468 -15.029 1.00 0.00 H new ATOM 37 N PRO A 3 -10.475 12.681 -6.250 1.00 0.00 N ATOM 38 CA PRO A 3 -10.026 12.843 -4.847 1.00 0.00 C ATOM 39 C PRO A 3 -8.509 13.038 -4.807 1.00 0.00 C ATOM 40 O PRO A 3 -7.801 12.651 -5.719 1.00 0.00 O ATOM 41 CB PRO A 3 -10.423 11.543 -4.153 1.00 0.00 C ATOM 42 CG PRO A 3 -10.544 10.487 -5.262 1.00 0.00 C ATOM 43 CD PRO A 3 -10.734 11.253 -6.581 1.00 0.00 C ATOM 0 HA PRO A 3 -10.472 13.711 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.675 11.250 -3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.367 11.658 -3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.651 9.863 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.388 9.824 -5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.044 10.896 -7.346 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.742 11.117 -6.972 1.00 0.00 H new ATOM 51 N ALA A 4 -8.010 13.640 -3.760 1.00 0.00 N ATOM 52 CA ALA A 4 -6.542 13.878 -3.654 1.00 0.00 C ATOM 53 C ALA A 4 -5.796 12.549 -3.494 1.00 0.00 C ATOM 54 O ALA A 4 -4.636 12.444 -3.845 1.00 0.00 O ATOM 55 CB ALA A 4 -6.258 14.764 -2.440 1.00 0.00 C ATOM 0 H ALA A 4 -8.560 13.978 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.199 14.370 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.185 14.939 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.774 15.717 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.612 14.268 -1.537 1.00 0.00 H new ATOM 61 N PHE A 5 -6.440 11.537 -2.960 1.00 0.00 N ATOM 62 CA PHE A 5 -5.743 10.227 -2.773 1.00 0.00 C ATOM 63 C PHE A 5 -5.581 9.515 -4.119 1.00 0.00 C ATOM 64 O PHE A 5 -4.492 9.118 -4.480 1.00 0.00 O ATOM 65 CB PHE A 5 -6.536 9.331 -1.816 1.00 0.00 C ATOM 66 CG PHE A 5 -5.717 8.095 -1.513 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.503 8.211 -0.826 1.00 0.00 C ATOM 68 CD2 PHE A 5 -6.164 6.838 -1.937 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.737 7.069 -0.560 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.397 5.697 -1.674 1.00 0.00 C ATOM 71 CZ PHE A 5 -4.183 5.811 -0.985 1.00 0.00 C ATOM 0 H PHE A 5 -7.411 11.562 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.759 10.422 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.762 9.869 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.490 9.051 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.157 9.181 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.101 6.749 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.802 7.158 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.742 4.728 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.592 4.930 -0.782 1.00 0.00 H new ATOM 81 N VAL A 6 -6.652 9.341 -4.861 1.00 0.00 N ATOM 82 CA VAL A 6 -6.548 8.641 -6.180 1.00 0.00 C ATOM 83 C VAL A 6 -5.565 9.399 -7.085 1.00 0.00 C ATOM 84 O VAL A 6 -4.834 8.799 -7.852 1.00 0.00 O ATOM 85 CB VAL A 6 -7.941 8.567 -6.830 1.00 0.00 C ATOM 86 CG1 VAL A 6 -7.845 7.983 -8.250 1.00 0.00 C ATOM 87 CG2 VAL A 6 -8.840 7.669 -5.976 1.00 0.00 C ATOM 0 H VAL A 6 -7.590 9.653 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.176 7.627 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.358 9.572 -6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.840 7.939 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.203 8.617 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.424 6.979 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.830 7.610 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.407 6.670 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.924 8.087 -4.973 1.00 0.00 H new ATOM 97 N ASN A 7 -5.533 10.706 -6.993 1.00 0.00 N ATOM 98 CA ASN A 7 -4.585 11.492 -7.838 1.00 0.00 C ATOM 99 C ASN A 7 -3.151 11.126 -7.446 1.00 0.00 C ATOM 100 O ASN A 7 -2.315 10.866 -8.291 1.00 0.00 O ATOM 101 CB ASN A 7 -4.811 12.989 -7.611 1.00 0.00 C ATOM 102 CG ASN A 7 -6.130 13.417 -8.258 1.00 0.00 C ATOM 103 OD1 ASN A 7 -6.960 14.034 -7.619 1.00 0.00 O ATOM 104 ND2 ASN A 7 -6.363 13.117 -9.506 1.00 0.00 N ATOM 0 H ASN A 7 -6.121 11.260 -6.371 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.752 11.262 -8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.832 13.205 -6.543 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.985 13.560 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.240 13.400 -9.943 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.668 12.599 -10.044 1.00 0.00 H new ATOM 111 N LYS A 8 -2.867 11.094 -6.168 1.00 0.00 N ATOM 112 CA LYS A 8 -1.493 10.733 -5.706 1.00 0.00 C ATOM 113 C LYS A 8 -1.194 9.273 -6.070 1.00 0.00 C ATOM 114 O LYS A 8 -0.049 8.876 -6.178 1.00 0.00 O ATOM 115 CB LYS A 8 -1.405 10.904 -4.188 1.00 0.00 C ATOM 116 CG LYS A 8 -1.580 12.378 -3.825 1.00 0.00 C ATOM 117 CD LYS A 8 -2.055 12.496 -2.375 1.00 0.00 C ATOM 118 CE LYS A 8 -2.054 13.967 -1.957 1.00 0.00 C ATOM 119 NZ LYS A 8 -2.246 14.063 -0.483 1.00 0.00 N ATOM 0 H LYS A 8 -3.531 11.303 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.766 11.385 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.174 10.305 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.442 10.542 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.637 12.909 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.303 12.845 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.057 12.079 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.402 11.920 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.113 14.437 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.849 14.504 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.246 15.063 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.154 13.629 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.472 13.564 0.001 1.00 0.00 H new ATOM 133 N LEU A 9 -2.215 8.476 -6.262 1.00 0.00 N ATOM 134 CA LEU A 9 -2.010 7.044 -6.620 1.00 0.00 C ATOM 135 C LEU A 9 -1.437 6.961 -8.035 1.00 0.00 C ATOM 136 O LEU A 9 -0.330 6.501 -8.244 1.00 0.00 O ATOM 137 CB LEU A 9 -3.363 6.330 -6.574 1.00 0.00 C ATOM 138 CG LEU A 9 -3.162 4.821 -6.441 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.642 4.496 -5.041 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.505 4.119 -6.663 1.00 0.00 C ATOM 0 H LEU A 9 -3.191 8.762 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.319 6.574 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.949 6.701 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.929 6.550 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.439 4.478 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.499 3.420 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.691 5.004 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.364 4.832 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.372 3.041 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.222 4.462 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.878 4.354 -7.660 1.00 0.00 H new ATOM 152 N TRP A 10 -2.189 7.411 -9.002 1.00 0.00 N ATOM 153 CA TRP A 10 -1.716 7.377 -10.417 1.00 0.00 C ATOM 154 C TRP A 10 -0.466 8.256 -10.573 1.00 0.00 C ATOM 155 O TRP A 10 0.266 8.130 -11.534 1.00 0.00 O ATOM 156 CB TRP A 10 -2.817 7.921 -11.338 1.00 0.00 C ATOM 157 CG TRP A 10 -4.139 7.287 -11.019 1.00 0.00 C ATOM 158 CD1 TRP A 10 -5.313 7.956 -10.954 1.00 0.00 C ATOM 159 CD2 TRP A 10 -4.449 5.889 -10.728 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.321 7.062 -10.648 1.00 0.00 N ATOM 161 CE2 TRP A 10 -5.842 5.779 -10.494 1.00 0.00 C ATOM 162 CE3 TRP A 10 -3.673 4.718 -10.644 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -6.440 4.557 -10.186 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -4.273 3.485 -10.335 1.00 0.00 C ATOM 165 CH2 TRP A 10 -5.654 3.406 -10.106 1.00 0.00 C ATOM 0 H TRP A 10 -3.121 7.805 -8.871 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.477 6.348 -10.684 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.890 9.003 -11.225 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.557 7.726 -12.378 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.441 9.016 -11.115 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.303 7.321 -10.548 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.608 4.767 -10.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -7.504 4.502 -10.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.667 2.593 -10.274 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.109 2.456 -9.868 1.00 0.00 H new ATOM 176 N SER A 11 -0.225 9.157 -9.652 1.00 0.00 N ATOM 177 CA SER A 11 0.965 10.053 -9.764 1.00 0.00 C ATOM 178 C SER A 11 2.255 9.267 -9.511 1.00 0.00 C ATOM 179 O SER A 11 3.289 9.566 -10.080 1.00 0.00 O ATOM 180 CB SER A 11 0.847 11.176 -8.734 1.00 0.00 C ATOM 181 OG SER A 11 0.165 12.278 -9.319 1.00 0.00 O ATOM 0 H SER A 11 -0.803 9.310 -8.826 1.00 0.00 H new ATOM 0 HA SER A 11 1.000 10.470 -10.771 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.307 10.824 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.837 11.483 -8.398 1.00 0.00 H new ATOM 0 HG SER A 11 -0.799 12.184 -9.168 1.00 0.00 H new ATOM 187 N MET A 12 2.211 8.279 -8.655 1.00 0.00 N ATOM 188 CA MET A 12 3.440 7.485 -8.352 1.00 0.00 C ATOM 189 C MET A 12 3.549 6.289 -9.305 1.00 0.00 C ATOM 190 O MET A 12 4.584 6.052 -9.899 1.00 0.00 O ATOM 191 CB MET A 12 3.369 6.983 -6.908 1.00 0.00 C ATOM 192 CG MET A 12 3.252 8.181 -5.962 1.00 0.00 C ATOM 193 SD MET A 12 3.786 7.696 -4.301 1.00 0.00 S ATOM 194 CE MET A 12 2.323 6.723 -3.867 1.00 0.00 C ATOM 0 H MET A 12 1.374 7.987 -8.151 1.00 0.00 H new ATOM 0 HA MET A 12 4.317 8.119 -8.483 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.512 6.321 -6.783 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.259 6.401 -6.669 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.865 9.006 -6.326 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.222 8.537 -5.935 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.416 6.364 -2.842 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.433 7.346 -3.955 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.238 5.872 -4.543 1.00 0.00 H new ATOM 204 N VAL A 13 2.495 5.527 -9.440 1.00 0.00 N ATOM 205 CA VAL A 13 2.530 4.331 -10.336 1.00 0.00 C ATOM 206 C VAL A 13 2.717 4.764 -11.798 1.00 0.00 C ATOM 207 O VAL A 13 3.500 4.187 -12.528 1.00 0.00 O ATOM 208 CB VAL A 13 1.220 3.551 -10.169 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.036 4.408 -10.580 1.00 0.00 C ATOM 210 CG2 VAL A 13 1.233 2.298 -11.035 1.00 0.00 C ATOM 0 H VAL A 13 1.606 5.682 -8.965 1.00 0.00 H new ATOM 0 HA VAL A 13 3.371 3.693 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 13 1.128 3.274 -9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.885 3.839 -10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.001 5.301 -9.956 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.144 4.700 -11.625 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.296 1.756 -10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.346 2.580 -12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.066 1.660 -10.739 1.00 0.00 H new ATOM 220 N ASN A 14 1.996 5.765 -12.224 1.00 0.00 N ATOM 221 CA ASN A 14 2.114 6.235 -13.642 1.00 0.00 C ATOM 222 C ASN A 14 3.337 7.148 -13.825 1.00 0.00 C ATOM 223 O ASN A 14 3.606 7.605 -14.920 1.00 0.00 O ATOM 224 CB ASN A 14 0.855 7.016 -14.028 1.00 0.00 C ATOM 225 CG ASN A 14 0.729 7.066 -15.552 1.00 0.00 C ATOM 226 OD1 ASN A 14 0.568 8.126 -16.125 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.794 5.958 -16.239 1.00 0.00 N ATOM 0 H ASN A 14 1.327 6.282 -11.653 1.00 0.00 H new ATOM 0 HA ASN A 14 2.231 5.359 -14.280 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.026 6.542 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.904 8.027 -13.624 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.710 5.982 -17.255 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.929 5.068 -15.760 1.00 0.00 H new ATOM 234 N ASP A 15 4.077 7.424 -12.777 1.00 0.00 N ATOM 235 CA ASP A 15 5.268 8.314 -12.915 1.00 0.00 C ATOM 236 C ASP A 15 6.351 7.607 -13.733 1.00 0.00 C ATOM 237 O ASP A 15 6.377 6.394 -13.831 1.00 0.00 O ATOM 238 CB ASP A 15 5.814 8.655 -11.522 1.00 0.00 C ATOM 239 CG ASP A 15 6.153 10.147 -11.450 1.00 0.00 C ATOM 240 OD1 ASP A 15 5.262 10.922 -11.139 1.00 0.00 O ATOM 241 OD2 ASP A 15 7.295 10.489 -11.706 1.00 0.00 O ATOM 0 H ASP A 15 3.906 7.071 -11.835 1.00 0.00 H new ATOM 0 HA ASP A 15 4.976 9.231 -13.426 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.076 8.403 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.703 8.060 -11.314 1.00 0.00 H new ATOM 246 N LYS A 16 7.248 8.361 -14.315 1.00 0.00 N ATOM 247 CA LYS A 16 8.340 7.748 -15.126 1.00 0.00 C ATOM 248 C LYS A 16 9.510 7.386 -14.203 1.00 0.00 C ATOM 249 O LYS A 16 10.251 6.457 -14.462 1.00 0.00 O ATOM 250 CB LYS A 16 8.809 8.749 -16.189 1.00 0.00 C ATOM 251 CG LYS A 16 9.028 8.024 -17.521 1.00 0.00 C ATOM 252 CD LYS A 16 9.319 9.047 -18.629 1.00 0.00 C ATOM 253 CE LYS A 16 10.778 8.917 -19.087 1.00 0.00 C ATOM 254 NZ LYS A 16 10.855 8.075 -20.320 1.00 0.00 N ATOM 0 H LYS A 16 7.270 9.379 -14.262 1.00 0.00 H new ATOM 0 HA LYS A 16 7.973 6.847 -15.618 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.067 9.538 -16.311 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.734 9.228 -15.868 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.859 7.324 -17.432 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.145 7.439 -17.777 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.648 8.884 -19.472 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.132 10.056 -18.263 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.195 9.905 -19.285 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.378 8.471 -18.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.847 7.993 -20.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.475 7.128 -20.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.297 8.518 -21.078 1.00 0.00 H new ATOM 268 N SER A 17 9.678 8.119 -13.130 1.00 0.00 N ATOM 269 CA SER A 17 10.795 7.831 -12.183 1.00 0.00 C ATOM 270 C SER A 17 10.483 6.556 -11.394 1.00 0.00 C ATOM 271 O SER A 17 11.364 5.768 -11.104 1.00 0.00 O ATOM 272 CB SER A 17 10.955 9.006 -11.217 1.00 0.00 C ATOM 273 OG SER A 17 9.686 9.338 -10.668 1.00 0.00 O ATOM 0 H SER A 17 9.086 8.908 -12.870 1.00 0.00 H new ATOM 0 HA SER A 17 11.720 7.691 -12.742 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.652 8.745 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.375 9.866 -11.739 1.00 0.00 H new ATOM 0 HG SER A 17 9.785 10.090 -10.047 1.00 0.00 H new ATOM 279 N ASN A 18 9.238 6.352 -11.045 1.00 0.00 N ATOM 280 CA ASN A 18 8.863 5.128 -10.271 1.00 0.00 C ATOM 281 C ASN A 18 8.254 4.074 -11.208 1.00 0.00 C ATOM 282 O ASN A 18 7.620 3.139 -10.760 1.00 0.00 O ATOM 283 CB ASN A 18 7.828 5.489 -9.198 1.00 0.00 C ATOM 284 CG ASN A 18 8.296 6.713 -8.404 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.465 6.849 -8.105 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.420 7.613 -8.046 1.00 0.00 N ATOM 0 H ASN A 18 8.464 6.980 -11.262 1.00 0.00 H new ATOM 0 HA ASN A 18 9.761 4.726 -9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.865 5.696 -9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.681 4.644 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.718 8.431 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.438 7.498 -8.298 1.00 0.00 H new ATOM 293 N GLU A 19 8.435 4.214 -12.501 1.00 0.00 N ATOM 294 CA GLU A 19 7.857 3.219 -13.454 1.00 0.00 C ATOM 295 C GLU A 19 8.441 1.827 -13.179 1.00 0.00 C ATOM 296 O GLU A 19 7.819 0.821 -13.468 1.00 0.00 O ATOM 297 CB GLU A 19 8.185 3.644 -14.894 1.00 0.00 C ATOM 298 CG GLU A 19 6.917 4.164 -15.590 1.00 0.00 C ATOM 299 CD GLU A 19 6.443 3.151 -16.634 1.00 0.00 C ATOM 300 OE1 GLU A 19 6.620 1.966 -16.405 1.00 0.00 O ATOM 301 OE2 GLU A 19 5.911 3.579 -17.646 1.00 0.00 O ATOM 0 H GLU A 19 8.958 4.975 -12.935 1.00 0.00 H new ATOM 0 HA GLU A 19 6.776 3.180 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.951 4.420 -14.888 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.593 2.798 -15.448 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.132 4.335 -14.854 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.121 5.123 -16.067 1.00 0.00 H new ATOM 308 N LYS A 20 9.628 1.760 -12.627 1.00 0.00 N ATOM 309 CA LYS A 20 10.249 0.433 -12.340 1.00 0.00 C ATOM 310 C LYS A 20 9.913 -0.011 -10.910 1.00 0.00 C ATOM 311 O LYS A 20 9.977 -1.184 -10.592 1.00 0.00 O ATOM 312 CB LYS A 20 11.769 0.537 -12.500 1.00 0.00 C ATOM 313 CG LYS A 20 12.311 -0.760 -13.107 1.00 0.00 C ATOM 314 CD LYS A 20 12.334 -0.640 -14.633 1.00 0.00 C ATOM 315 CE LYS A 20 13.433 0.339 -15.053 1.00 0.00 C ATOM 316 NZ LYS A 20 14.000 -0.074 -16.370 1.00 0.00 N ATOM 0 H LYS A 20 10.192 2.568 -12.363 1.00 0.00 H new ATOM 0 HA LYS A 20 9.855 -0.303 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.021 1.383 -13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.235 0.720 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.315 -0.957 -12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.688 -1.602 -12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.512 -1.617 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.366 -0.294 -14.996 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.027 1.348 -15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.220 0.362 -14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.746 0.594 -16.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.403 -1.030 -16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.247 -0.074 -17.087 1.00 0.00 H new ATOM 330 N PHE A 21 9.553 0.909 -10.045 1.00 0.00 N ATOM 331 CA PHE A 21 9.213 0.528 -8.640 1.00 0.00 C ATOM 332 C PHE A 21 7.687 0.414 -8.469 1.00 0.00 C ATOM 333 O PHE A 21 7.208 0.067 -7.407 1.00 0.00 O ATOM 334 CB PHE A 21 9.759 1.587 -7.682 1.00 0.00 C ATOM 335 CG PHE A 21 11.251 1.412 -7.548 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.765 0.420 -6.705 1.00 0.00 C ATOM 337 CD2 PHE A 21 12.121 2.235 -8.272 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.150 0.252 -6.584 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.506 2.069 -8.151 1.00 0.00 C ATOM 340 CZ PHE A 21 14.020 1.077 -7.306 1.00 0.00 C ATOM 0 H PHE A 21 9.481 1.905 -10.253 1.00 0.00 H new ATOM 0 HA PHE A 21 9.663 -0.439 -8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.530 2.585 -8.055 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.281 1.494 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.093 -0.216 -6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.724 2.999 -8.924 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.547 -0.514 -5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.177 2.705 -8.709 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.088 0.949 -7.212 1.00 0.00 H new ATOM 350 N ILE A 22 6.926 0.694 -9.502 1.00 0.00 N ATOM 351 CA ILE A 22 5.442 0.595 -9.402 1.00 0.00 C ATOM 352 C ILE A 22 4.840 0.914 -10.777 1.00 0.00 C ATOM 353 O ILE A 22 5.305 1.794 -11.477 1.00 0.00 O ATOM 354 CB ILE A 22 4.924 1.575 -8.335 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.400 1.463 -8.225 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.303 3.016 -8.695 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.943 2.012 -6.873 1.00 0.00 C ATOM 0 H ILE A 22 7.276 0.988 -10.414 1.00 0.00 H new ATOM 0 HA ILE A 22 5.148 -0.411 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 22 5.382 1.319 -7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.925 2.018 -9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.093 0.422 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.928 3.693 -7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.388 3.102 -8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.863 3.278 -9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.859 1.932 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.407 1.438 -6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.237 3.058 -6.787 1.00 0.00 H new ATOM 369 N HIS A 23 3.826 0.189 -11.176 1.00 0.00 N ATOM 370 CA HIS A 23 3.207 0.435 -12.513 1.00 0.00 C ATOM 371 C HIS A 23 1.932 -0.399 -12.647 1.00 0.00 C ATOM 372 O HIS A 23 1.752 -1.385 -11.954 1.00 0.00 O ATOM 373 CB HIS A 23 4.196 0.029 -13.608 1.00 0.00 C ATOM 374 CG HIS A 23 3.686 0.488 -14.944 1.00 0.00 C ATOM 375 ND1 HIS A 23 3.043 -0.368 -15.825 1.00 0.00 N ATOM 376 CD2 HIS A 23 3.720 1.711 -15.568 1.00 0.00 C ATOM 377 CE1 HIS A 23 2.719 0.345 -16.919 1.00 0.00 C ATOM 378 NE2 HIS A 23 3.109 1.619 -16.815 1.00 0.00 N ATOM 0 H HIS A 23 3.400 -0.563 -10.634 1.00 0.00 H new ATOM 0 HA HIS A 23 2.961 1.492 -12.613 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.174 0.469 -13.410 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.328 -1.053 -13.610 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.851 -1.358 -15.672 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.155 2.608 -15.154 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.206 -0.063 -17.777 1.00 0.00 H new ATOM 386 N TRP A 24 1.043 -0.014 -13.537 1.00 0.00 N ATOM 387 CA TRP A 24 -0.225 -0.793 -13.726 1.00 0.00 C ATOM 388 C TRP A 24 0.116 -2.253 -14.052 1.00 0.00 C ATOM 389 O TRP A 24 1.166 -2.540 -14.597 1.00 0.00 O ATOM 390 CB TRP A 24 -1.041 -0.211 -14.896 1.00 0.00 C ATOM 391 CG TRP A 24 -1.275 1.273 -14.748 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.897 2.048 -13.700 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.951 2.167 -15.681 1.00 0.00 C ATOM 394 NE1 TRP A 24 -1.289 3.352 -13.939 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.944 3.476 -15.146 1.00 0.00 C ATOM 396 CE3 TRP A 24 -2.564 1.967 -16.934 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.523 4.548 -15.827 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -3.147 3.045 -17.621 1.00 0.00 C ATOM 399 CH2 TRP A 24 -3.126 4.333 -17.068 1.00 0.00 C ATOM 0 H TRP A 24 1.141 0.804 -14.139 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.809 -0.734 -12.808 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.517 -0.402 -15.832 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.001 -0.724 -14.957 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -0.374 1.702 -12.821 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.115 4.128 -13.300 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -2.586 0.979 -17.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.505 5.538 -15.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.614 2.880 -18.581 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.576 5.158 -17.601 1.00 0.00 H new ATOM 410 N SER A 25 -0.759 -3.172 -13.729 1.00 0.00 N ATOM 411 CA SER A 25 -0.483 -4.609 -14.027 1.00 0.00 C ATOM 412 C SER A 25 -0.459 -4.816 -15.543 1.00 0.00 C ATOM 413 O SER A 25 0.569 -5.110 -16.123 1.00 0.00 O ATOM 414 CB SER A 25 -1.576 -5.483 -13.413 1.00 0.00 C ATOM 415 OG SER A 25 -1.210 -5.826 -12.082 1.00 0.00 O ATOM 0 H SER A 25 -1.652 -2.988 -13.272 1.00 0.00 H new ATOM 0 HA SER A 25 0.482 -4.887 -13.602 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.527 -4.951 -13.415 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.714 -6.385 -14.009 1.00 0.00 H new ATOM 0 HG SER A 25 -1.910 -6.385 -11.684 1.00 0.00 H new ATOM 421 N THR A 26 -1.589 -4.661 -16.185 1.00 0.00 N ATOM 422 CA THR A 26 -1.651 -4.843 -17.666 1.00 0.00 C ATOM 423 C THR A 26 -2.919 -4.175 -18.201 1.00 0.00 C ATOM 424 O THR A 26 -2.861 -3.302 -19.048 1.00 0.00 O ATOM 425 CB THR A 26 -1.684 -6.336 -18.001 1.00 0.00 C ATOM 426 OG1 THR A 26 -0.575 -6.981 -17.390 1.00 0.00 O ATOM 427 CG2 THR A 26 -1.614 -6.526 -19.518 1.00 0.00 C ATOM 0 H THR A 26 -2.475 -4.415 -15.744 1.00 0.00 H new ATOM 0 HA THR A 26 -0.772 -4.390 -18.125 1.00 0.00 H new ATOM 0 HB THR A 26 -2.611 -6.771 -17.627 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.126 -6.321 -17.205 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.638 -7.590 -19.753 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.465 -6.032 -19.986 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.689 -6.091 -19.897 1.00 0.00 H new ATOM 435 N SER A 27 -4.064 -4.584 -17.714 1.00 0.00 N ATOM 436 CA SER A 27 -5.344 -3.983 -18.187 1.00 0.00 C ATOM 437 C SER A 27 -6.469 -4.340 -17.209 1.00 0.00 C ATOM 438 O SER A 27 -6.608 -5.477 -16.801 1.00 0.00 O ATOM 439 CB SER A 27 -5.681 -4.534 -19.575 1.00 0.00 C ATOM 440 OG SER A 27 -4.993 -3.772 -20.560 1.00 0.00 O ATOM 0 H SER A 27 -4.165 -5.312 -17.006 1.00 0.00 H new ATOM 0 HA SER A 27 -5.240 -2.899 -18.240 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.393 -5.583 -19.643 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.756 -4.487 -19.747 1.00 0.00 H new ATOM 0 HG SER A 27 -4.278 -3.255 -20.133 1.00 0.00 H new ATOM 446 N GLY A 28 -7.271 -3.373 -16.837 1.00 0.00 N ATOM 447 CA GLY A 28 -8.395 -3.647 -15.887 1.00 0.00 C ATOM 448 C GLY A 28 -8.205 -2.851 -14.588 1.00 0.00 C ATOM 449 O GLY A 28 -8.761 -3.194 -13.561 1.00 0.00 O ATOM 0 H GLY A 28 -7.196 -2.405 -17.150 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.344 -3.378 -16.350 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.440 -4.713 -15.664 1.00 0.00 H new ATOM 453 N GLU A 29 -7.434 -1.790 -14.622 1.00 0.00 N ATOM 454 CA GLU A 29 -7.214 -0.967 -13.393 1.00 0.00 C ATOM 455 C GLU A 29 -6.609 -1.830 -12.279 1.00 0.00 C ATOM 456 O GLU A 29 -7.303 -2.561 -11.599 1.00 0.00 O ATOM 457 CB GLU A 29 -8.547 -0.382 -12.919 1.00 0.00 C ATOM 458 CG GLU A 29 -9.133 0.508 -14.016 1.00 0.00 C ATOM 459 CD GLU A 29 -9.952 -0.347 -14.983 1.00 0.00 C ATOM 460 OE1 GLU A 29 -10.672 -1.212 -14.513 1.00 0.00 O ATOM 461 OE2 GLU A 29 -9.843 -0.123 -16.177 1.00 0.00 O ATOM 0 H GLU A 29 -6.946 -1.458 -15.454 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.524 -0.157 -13.630 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.243 -1.185 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.399 0.197 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.762 1.281 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.332 1.017 -14.553 1.00 0.00 H new ATOM 468 N SER A 30 -5.317 -1.740 -12.090 1.00 0.00 N ATOM 469 CA SER A 30 -4.644 -2.540 -11.024 1.00 0.00 C ATOM 470 C SER A 30 -3.227 -2.000 -10.816 1.00 0.00 C ATOM 471 O SER A 30 -2.584 -1.567 -11.752 1.00 0.00 O ATOM 472 CB SER A 30 -4.571 -4.009 -11.447 1.00 0.00 C ATOM 473 OG SER A 30 -4.556 -4.089 -12.868 1.00 0.00 O ATOM 0 H SER A 30 -4.695 -1.141 -12.633 1.00 0.00 H new ATOM 0 HA SER A 30 -5.211 -2.463 -10.097 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.675 -4.474 -11.036 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.425 -4.557 -11.049 1.00 0.00 H new ATOM 0 HG SER A 30 -4.669 -5.022 -13.144 1.00 0.00 H new ATOM 479 N ILE A 31 -2.736 -2.021 -9.600 1.00 0.00 N ATOM 480 CA ILE A 31 -1.356 -1.506 -9.340 1.00 0.00 C ATOM 481 C ILE A 31 -0.430 -2.674 -9.008 1.00 0.00 C ATOM 482 O ILE A 31 -0.864 -3.693 -8.503 1.00 0.00 O ATOM 483 CB ILE A 31 -1.376 -0.533 -8.159 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.443 0.539 -8.393 1.00 0.00 C ATOM 485 CG2 ILE A 31 -0.006 0.139 -8.027 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.618 1.383 -7.125 1.00 0.00 C ATOM 0 H ILE A 31 -3.230 -2.371 -8.779 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.997 -0.989 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.605 -1.081 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.154 1.177 -9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.389 0.070 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.020 0.832 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.757 -0.621 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.221 0.685 -8.943 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.379 2.145 -7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.927 0.741 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.673 1.864 -6.875 1.00 0.00 H new ATOM 498 N VAL A 32 0.843 -2.535 -9.285 1.00 0.00 N ATOM 499 CA VAL A 32 1.800 -3.641 -8.980 1.00 0.00 C ATOM 500 C VAL A 32 2.980 -3.096 -8.171 1.00 0.00 C ATOM 501 O VAL A 32 3.487 -2.023 -8.440 1.00 0.00 O ATOM 502 CB VAL A 32 2.306 -4.250 -10.290 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.199 -5.455 -9.987 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.110 -4.707 -11.126 1.00 0.00 C ATOM 0 H VAL A 32 1.259 -1.705 -9.708 1.00 0.00 H new ATOM 0 HA VAL A 32 1.293 -4.409 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 32 2.880 -3.504 -10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.558 -5.886 -10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.050 -5.135 -9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.627 -6.203 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.464 -5.142 -12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.542 -5.454 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.470 -3.852 -11.343 1.00 0.00 H new ATOM 514 N VAL A 33 3.422 -3.836 -7.186 1.00 0.00 N ATOM 515 CA VAL A 33 4.573 -3.381 -6.351 1.00 0.00 C ATOM 516 C VAL A 33 5.688 -4.433 -6.420 1.00 0.00 C ATOM 517 O VAL A 33 5.699 -5.363 -5.635 1.00 0.00 O ATOM 518 CB VAL A 33 4.127 -3.216 -4.893 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.246 -2.542 -4.093 1.00 0.00 C ATOM 520 CG2 VAL A 33 2.864 -2.350 -4.831 1.00 0.00 C ATOM 0 H VAL A 33 3.032 -4.741 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 33 4.936 -2.424 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 33 3.911 -4.197 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.931 -2.424 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.144 -3.159 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.460 -1.563 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.552 -2.236 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.074 -1.369 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.067 -2.828 -5.399 1.00 0.00 H new ATOM 530 N PRO A 34 6.589 -4.257 -7.362 1.00 0.00 N ATOM 531 CA PRO A 34 7.689 -5.242 -7.478 1.00 0.00 C ATOM 532 C PRO A 34 8.667 -5.083 -6.310 1.00 0.00 C ATOM 533 O PRO A 34 9.328 -6.022 -5.910 1.00 0.00 O ATOM 534 CB PRO A 34 8.372 -4.909 -8.805 1.00 0.00 C ATOM 535 CG PRO A 34 8.034 -3.439 -9.104 1.00 0.00 C ATOM 536 CD PRO A 34 6.791 -3.094 -8.269 1.00 0.00 C ATOM 0 HA PRO A 34 7.332 -6.271 -7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.450 -5.054 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.014 -5.561 -9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.869 -2.789 -8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.839 -3.295 -10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.941 -2.175 -7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.921 -2.937 -8.906 1.00 0.00 H new ATOM 544 N ASN A 35 8.757 -3.897 -5.760 1.00 0.00 N ATOM 545 CA ASN A 35 9.684 -3.662 -4.615 1.00 0.00 C ATOM 546 C ASN A 35 9.075 -2.611 -3.684 1.00 0.00 C ATOM 547 O ASN A 35 9.333 -1.429 -3.815 1.00 0.00 O ATOM 548 CB ASN A 35 11.032 -3.163 -5.142 1.00 0.00 C ATOM 549 CG ASN A 35 11.928 -4.359 -5.464 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.721 -4.778 -4.645 1.00 0.00 O ATOM 551 ND2 ASN A 35 11.834 -4.933 -6.633 1.00 0.00 N ATOM 0 H ASN A 35 8.225 -3.079 -6.058 1.00 0.00 H new ATOM 0 HA ASN A 35 9.835 -4.592 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.883 -2.556 -6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.511 -2.525 -4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.426 -5.733 -6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.168 -4.582 -7.321 1.00 0.00 H new ATOM 558 N ARG A 36 8.266 -3.036 -2.746 1.00 0.00 N ATOM 559 CA ARG A 36 7.631 -2.070 -1.802 1.00 0.00 C ATOM 560 C ARG A 36 8.692 -1.506 -0.845 1.00 0.00 C ATOM 561 O ARG A 36 8.564 -0.408 -0.338 1.00 0.00 O ATOM 562 CB ARG A 36 6.516 -2.784 -1.011 1.00 0.00 C ATOM 563 CG ARG A 36 7.112 -3.802 -0.026 1.00 0.00 C ATOM 564 CD ARG A 36 7.305 -3.140 1.344 1.00 0.00 C ATOM 565 NE ARG A 36 6.771 -4.035 2.409 1.00 0.00 N ATOM 566 CZ ARG A 36 7.553 -4.440 3.373 1.00 0.00 C ATOM 567 NH1 ARG A 36 7.673 -3.727 4.460 1.00 0.00 N ATOM 568 NH2 ARG A 36 8.217 -5.558 3.250 1.00 0.00 N ATOM 0 H ARG A 36 8.018 -4.014 -2.594 1.00 0.00 H new ATOM 0 HA ARG A 36 7.194 -1.243 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.922 -2.049 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.842 -3.291 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.452 -4.664 0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.067 -4.170 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.363 -2.941 1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.792 -2.179 1.371 1.00 0.00 H new ATOM 0 HE ARG A 36 5.795 -4.331 2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.156 -2.853 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.284 -4.044 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.125 -6.115 2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.828 -5.874 4.003 1.00 0.00 H new ATOM 582 N GLU A 37 9.729 -2.262 -0.590 1.00 0.00 N ATOM 583 CA GLU A 37 10.799 -1.793 0.338 1.00 0.00 C ATOM 584 C GLU A 37 11.516 -0.578 -0.259 1.00 0.00 C ATOM 585 O GLU A 37 11.514 0.495 0.314 1.00 0.00 O ATOM 586 CB GLU A 37 11.809 -2.921 0.557 1.00 0.00 C ATOM 587 CG GLU A 37 12.610 -2.651 1.832 1.00 0.00 C ATOM 588 CD GLU A 37 11.954 -3.374 3.010 1.00 0.00 C ATOM 589 OE1 GLU A 37 11.693 -4.559 2.882 1.00 0.00 O ATOM 590 OE2 GLU A 37 11.725 -2.730 4.020 1.00 0.00 O ATOM 0 H GLU A 37 9.880 -3.189 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 37 10.349 -1.510 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.291 -3.877 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.481 -2.993 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.637 -2.993 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.653 -1.579 2.027 1.00 0.00 H new ATOM 597 N ARG A 38 12.135 -0.743 -1.400 1.00 0.00 N ATOM 598 CA ARG A 38 12.865 0.394 -2.037 1.00 0.00 C ATOM 599 C ARG A 38 11.877 1.501 -2.414 1.00 0.00 C ATOM 600 O ARG A 38 12.220 2.668 -2.428 1.00 0.00 O ATOM 601 CB ARG A 38 13.584 -0.105 -3.296 1.00 0.00 C ATOM 602 CG ARG A 38 15.066 -0.334 -2.984 1.00 0.00 C ATOM 603 CD ARG A 38 15.274 -1.772 -2.506 1.00 0.00 C ATOM 604 NE ARG A 38 16.564 -2.291 -3.038 1.00 0.00 N ATOM 605 CZ ARG A 38 17.631 -2.291 -2.287 1.00 0.00 C ATOM 606 NH1 ARG A 38 17.589 -2.813 -1.089 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.742 -1.772 -2.733 1.00 0.00 N ATOM 0 H ARG A 38 12.166 -1.620 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 38 13.595 0.793 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.128 -1.032 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.479 0.624 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.668 -0.145 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.399 0.366 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.277 -1.807 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.450 -2.401 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 38 16.614 -2.648 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.721 -3.221 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.424 -2.812 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.776 -1.367 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.576 -1.772 -2.146 1.00 0.00 H new ATOM 621 N PHE A 39 10.655 1.144 -2.717 1.00 0.00 N ATOM 622 CA PHE A 39 9.635 2.171 -3.095 1.00 0.00 C ATOM 623 C PHE A 39 9.454 3.159 -1.938 1.00 0.00 C ATOM 624 O PHE A 39 9.790 4.319 -2.042 1.00 0.00 O ATOM 625 CB PHE A 39 8.299 1.467 -3.400 1.00 0.00 C ATOM 626 CG PHE A 39 7.191 2.485 -3.608 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.995 3.070 -4.863 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.363 2.838 -2.535 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.970 4.006 -5.048 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.339 3.775 -2.719 1.00 0.00 C ATOM 631 CZ PHE A 39 5.142 4.359 -3.975 1.00 0.00 C ATOM 0 H PHE A 39 10.318 0.181 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 39 9.966 2.715 -3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.403 0.848 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.038 0.800 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.635 2.800 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.514 2.387 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.818 4.456 -6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.701 4.047 -1.891 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.352 5.082 -4.117 1.00 0.00 H new ATOM 641 N VAL A 40 8.906 2.703 -0.843 1.00 0.00 N ATOM 642 CA VAL A 40 8.668 3.600 0.329 1.00 0.00 C ATOM 643 C VAL A 40 9.957 4.339 0.710 1.00 0.00 C ATOM 644 O VAL A 40 9.952 5.536 0.921 1.00 0.00 O ATOM 645 CB VAL A 40 8.189 2.754 1.519 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.889 3.657 2.726 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.920 1.989 1.124 1.00 0.00 C ATOM 0 H VAL A 40 8.609 1.736 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 40 7.910 4.337 0.066 1.00 0.00 H new ATOM 0 HB VAL A 40 8.974 2.048 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.550 3.046 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.793 4.195 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.110 4.372 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.580 1.389 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.140 2.697 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.137 1.336 0.278 1.00 0.00 H new ATOM 657 N GLN A 41 11.046 3.628 0.812 1.00 0.00 N ATOM 658 CA GLN A 41 12.342 4.261 1.205 1.00 0.00 C ATOM 659 C GLN A 41 12.694 5.442 0.287 1.00 0.00 C ATOM 660 O GLN A 41 13.302 6.402 0.724 1.00 0.00 O ATOM 661 CB GLN A 41 13.453 3.215 1.130 1.00 0.00 C ATOM 662 CG GLN A 41 13.531 2.472 2.464 1.00 0.00 C ATOM 663 CD GLN A 41 14.500 3.200 3.398 1.00 0.00 C ATOM 664 OE1 GLN A 41 15.385 3.903 2.950 1.00 0.00 O ATOM 665 NE2 GLN A 41 14.371 3.063 4.689 1.00 0.00 N ATOM 0 H GLN A 41 11.096 2.624 0.638 1.00 0.00 H new ATOM 0 HA GLN A 41 12.242 4.641 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.255 2.513 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.407 3.695 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.542 2.417 2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.866 1.447 2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.629 2.474 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.012 3.545 5.320 1.00 0.00 H new ATOM 674 N GLU A 42 12.344 5.378 -0.976 1.00 0.00 N ATOM 675 CA GLU A 42 12.692 6.503 -1.900 1.00 0.00 C ATOM 676 C GLU A 42 11.484 6.919 -2.745 1.00 0.00 C ATOM 677 O GLU A 42 11.632 7.329 -3.881 1.00 0.00 O ATOM 678 CB GLU A 42 13.823 6.055 -2.828 1.00 0.00 C ATOM 679 CG GLU A 42 15.122 5.932 -2.028 1.00 0.00 C ATOM 680 CD GLU A 42 15.922 7.231 -2.148 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.310 8.285 -2.116 1.00 0.00 O ATOM 682 OE2 GLU A 42 17.134 7.146 -2.271 1.00 0.00 O ATOM 0 H GLU A 42 11.837 4.603 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 42 13.004 7.359 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.574 5.098 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.949 6.773 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.898 5.726 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.712 5.094 -2.399 1.00 0.00 H new ATOM 689 N VAL A 43 10.294 6.831 -2.205 1.00 0.00 N ATOM 690 CA VAL A 43 9.083 7.238 -2.989 1.00 0.00 C ATOM 691 C VAL A 43 7.957 7.681 -2.047 1.00 0.00 C ATOM 692 O VAL A 43 7.241 8.622 -2.337 1.00 0.00 O ATOM 693 CB VAL A 43 8.582 6.073 -3.856 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.478 6.578 -4.786 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.731 5.514 -4.704 1.00 0.00 C ATOM 0 H VAL A 43 10.107 6.497 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 43 9.367 8.071 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 43 8.198 5.286 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.118 5.755 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.654 6.973 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.874 7.367 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.365 4.689 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.121 6.299 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.526 5.156 -4.049 1.00 0.00 H new ATOM 705 N LEU A 44 7.783 7.014 -0.928 1.00 0.00 N ATOM 706 CA LEU A 44 6.690 7.409 0.014 1.00 0.00 C ATOM 707 C LEU A 44 6.879 8.863 0.488 1.00 0.00 C ATOM 708 O LEU A 44 5.940 9.631 0.452 1.00 0.00 O ATOM 709 CB LEU A 44 6.677 6.463 1.221 1.00 0.00 C ATOM 710 CG LEU A 44 5.504 6.808 2.142 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.198 6.316 1.517 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.707 6.126 3.496 1.00 0.00 C ATOM 0 H LEU A 44 8.348 6.219 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 44 5.737 7.338 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.594 5.430 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.616 6.545 1.768 1.00 0.00 H new ATOM 0 HG LEU A 44 5.455 7.888 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.364 6.563 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.053 6.798 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.245 5.236 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.873 6.370 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.755 5.046 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.637 6.476 3.944 1.00 0.00 H new ATOM 724 N PRO A 45 8.078 9.197 0.928 1.00 0.00 N ATOM 725 CA PRO A 45 8.282 10.592 1.402 1.00 0.00 C ATOM 726 C PRO A 45 8.255 11.594 0.236 1.00 0.00 C ATOM 727 O PRO A 45 8.219 12.793 0.447 1.00 0.00 O ATOM 728 CB PRO A 45 9.658 10.583 2.067 1.00 0.00 C ATOM 729 CG PRO A 45 10.418 9.390 1.468 1.00 0.00 C ATOM 730 CD PRO A 45 9.358 8.437 0.899 1.00 0.00 C ATOM 0 HA PRO A 45 7.490 10.902 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.188 11.517 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.567 10.483 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.103 9.719 0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.019 8.892 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.610 8.132 -0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.287 7.528 1.496 1.00 0.00 H new ATOM 738 N LYS A 46 8.284 11.120 -0.985 1.00 0.00 N ATOM 739 CA LYS A 46 8.274 12.040 -2.158 1.00 0.00 C ATOM 740 C LYS A 46 6.860 12.592 -2.405 1.00 0.00 C ATOM 741 O LYS A 46 6.697 13.600 -3.067 1.00 0.00 O ATOM 742 CB LYS A 46 8.748 11.261 -3.395 1.00 0.00 C ATOM 743 CG LYS A 46 9.860 12.035 -4.107 1.00 0.00 C ATOM 744 CD LYS A 46 9.302 13.363 -4.617 1.00 0.00 C ATOM 745 CE LYS A 46 10.160 13.874 -5.778 1.00 0.00 C ATOM 746 NZ LYS A 46 10.194 12.851 -6.862 1.00 0.00 N ATOM 0 H LYS A 46 8.314 10.127 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 46 8.939 12.881 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.111 10.277 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.912 11.100 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.690 12.214 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.253 11.449 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.271 13.233 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.290 14.097 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.753 14.810 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.172 14.085 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.201 13.326 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.051 12.270 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.354 12.242 -6.791 1.00 0.00 H new ATOM 760 N TYR A 47 5.838 11.939 -1.900 1.00 0.00 N ATOM 761 CA TYR A 47 4.442 12.433 -2.137 1.00 0.00 C ATOM 762 C TYR A 47 3.710 12.698 -0.812 1.00 0.00 C ATOM 763 O TYR A 47 2.693 13.367 -0.792 1.00 0.00 O ATOM 764 CB TYR A 47 3.665 11.382 -2.931 1.00 0.00 C ATOM 765 CG TYR A 47 4.212 11.307 -4.338 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.424 10.651 -4.582 1.00 0.00 C ATOM 767 CD2 TYR A 47 3.507 11.893 -5.396 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.931 10.581 -5.886 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.016 11.823 -6.699 1.00 0.00 C ATOM 770 CZ TYR A 47 5.227 11.167 -6.943 1.00 0.00 C ATOM 771 OH TYR A 47 5.729 11.098 -8.227 1.00 0.00 O ATOM 0 H TYR A 47 5.909 11.091 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 47 4.501 13.369 -2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.747 10.410 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.606 11.638 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.968 10.199 -3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.571 12.399 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.866 10.074 -6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.473 12.276 -7.516 1.00 0.00 H new ATOM 0 HH TYR A 47 4.989 11.015 -8.864 1.00 0.00 H new ATOM 781 N PHE A 48 4.201 12.177 0.285 1.00 0.00 N ATOM 782 CA PHE A 48 3.513 12.398 1.593 1.00 0.00 C ATOM 783 C PHE A 48 4.465 13.069 2.585 1.00 0.00 C ATOM 784 O PHE A 48 4.051 13.868 3.401 1.00 0.00 O ATOM 785 CB PHE A 48 3.055 11.053 2.158 1.00 0.00 C ATOM 786 CG PHE A 48 1.974 10.479 1.275 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.313 9.837 0.078 1.00 0.00 C ATOM 788 CD2 PHE A 48 0.630 10.589 1.653 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.310 9.304 -0.740 1.00 0.00 C ATOM 790 CE2 PHE A 48 -0.373 10.057 0.835 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.034 9.414 -0.361 1.00 0.00 C ATOM 0 H PHE A 48 5.047 11.609 0.331 1.00 0.00 H new ATOM 0 HA PHE A 48 2.651 13.046 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.898 10.364 2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.680 11.182 3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.349 9.753 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.368 11.085 2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.572 8.808 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.409 10.143 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.808 9.003 -0.992 1.00 0.00 H new ATOM 801 N LYS A 49 5.733 12.746 2.524 1.00 0.00 N ATOM 802 CA LYS A 49 6.724 13.354 3.465 1.00 0.00 C ATOM 803 C LYS A 49 6.373 12.953 4.901 1.00 0.00 C ATOM 804 O LYS A 49 5.354 13.349 5.434 1.00 0.00 O ATOM 805 CB LYS A 49 6.702 14.884 3.338 1.00 0.00 C ATOM 806 CG LYS A 49 6.869 15.288 1.866 1.00 0.00 C ATOM 807 CD LYS A 49 8.285 15.821 1.631 1.00 0.00 C ATOM 808 CE LYS A 49 8.342 17.302 2.006 1.00 0.00 C ATOM 809 NZ LYS A 49 9.762 17.715 2.186 1.00 0.00 N ATOM 0 H LYS A 49 6.127 12.082 1.857 1.00 0.00 H new ATOM 0 HA LYS A 49 7.722 12.993 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.763 15.277 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.502 15.319 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.682 14.430 1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.136 16.050 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.001 15.256 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.566 15.689 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.873 17.904 1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.782 17.477 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.801 18.722 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.195 17.149 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.283 17.562 1.299 1.00 0.00 H new ATOM 823 N HIS A 50 7.208 12.160 5.526 1.00 0.00 N ATOM 824 CA HIS A 50 6.935 11.717 6.928 1.00 0.00 C ATOM 825 C HIS A 50 5.597 10.972 6.983 1.00 0.00 C ATOM 826 O HIS A 50 4.580 11.530 7.352 1.00 0.00 O ATOM 827 CB HIS A 50 6.881 12.933 7.859 1.00 0.00 C ATOM 828 CG HIS A 50 8.234 13.586 7.914 1.00 0.00 C ATOM 829 ND1 HIS A 50 8.703 14.398 6.894 1.00 0.00 N ATOM 830 CD2 HIS A 50 9.228 13.559 8.861 1.00 0.00 C ATOM 831 CE1 HIS A 50 9.930 14.823 7.247 1.00 0.00 C ATOM 832 NE2 HIS A 50 10.298 14.341 8.438 1.00 0.00 N ATOM 0 H HIS A 50 8.072 11.799 5.122 1.00 0.00 H new ATOM 0 HA HIS A 50 7.735 11.052 7.252 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.137 13.645 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.574 12.625 8.858 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.186 13.014 9.792 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.543 15.474 6.642 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.175 14.510 8.931 1.00 0.00 H new ATOM 840 N SER A 51 5.598 9.717 6.617 1.00 0.00 N ATOM 841 CA SER A 51 4.338 8.920 6.643 1.00 0.00 C ATOM 842 C SER A 51 4.686 7.442 6.824 1.00 0.00 C ATOM 843 O SER A 51 5.821 7.095 7.092 1.00 0.00 O ATOM 844 CB SER A 51 3.582 9.118 5.326 1.00 0.00 C ATOM 845 OG SER A 51 2.190 9.235 5.596 1.00 0.00 O ATOM 0 H SER A 51 6.423 9.208 6.300 1.00 0.00 H new ATOM 0 HA SER A 51 3.708 9.250 7.469 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.942 10.012 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.765 8.276 4.658 1.00 0.00 H new ATOM 0 HG SER A 51 1.703 9.364 4.755 1.00 0.00 H new ATOM 851 N ASN A 52 3.719 6.569 6.685 1.00 0.00 N ATOM 852 CA ASN A 52 4.000 5.109 6.852 1.00 0.00 C ATOM 853 C ASN A 52 3.138 4.292 5.885 1.00 0.00 C ATOM 854 O ASN A 52 2.017 4.652 5.565 1.00 0.00 O ATOM 855 CB ASN A 52 3.719 4.665 8.301 1.00 0.00 C ATOM 856 CG ASN A 52 2.483 5.379 8.861 1.00 0.00 C ATOM 857 OD1 ASN A 52 1.398 4.835 8.855 1.00 0.00 O ATOM 858 ND2 ASN A 52 2.605 6.583 9.351 1.00 0.00 N ATOM 0 H ASN A 52 2.751 6.803 6.464 1.00 0.00 H new ATOM 0 HA ASN A 52 5.053 4.935 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.566 3.586 8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.585 4.883 8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.789 7.065 9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.516 7.041 9.357 1.00 0.00 H new ATOM 865 N PHE A 53 3.669 3.190 5.415 1.00 0.00 N ATOM 866 CA PHE A 53 2.918 2.324 4.459 1.00 0.00 C ATOM 867 C PHE A 53 1.593 1.876 5.082 1.00 0.00 C ATOM 868 O PHE A 53 0.629 1.625 4.388 1.00 0.00 O ATOM 869 CB PHE A 53 3.768 1.092 4.124 1.00 0.00 C ATOM 870 CG PHE A 53 3.619 0.748 2.660 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.885 1.716 1.685 1.00 0.00 C ATOM 872 CD2 PHE A 53 3.216 -0.537 2.278 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.748 1.401 0.329 1.00 0.00 C ATOM 874 CE2 PHE A 53 3.079 -0.853 0.921 1.00 0.00 C ATOM 875 CZ PHE A 53 3.345 0.115 -0.054 1.00 0.00 C ATOM 0 H PHE A 53 4.600 2.852 5.657 1.00 0.00 H new ATOM 0 HA PHE A 53 2.708 2.889 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.815 1.287 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.458 0.247 4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.196 2.707 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.011 -1.285 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.953 2.149 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.768 -1.844 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.240 -0.129 -1.101 1.00 0.00 H new ATOM 885 N ALA A 54 1.544 1.777 6.387 1.00 0.00 N ATOM 886 CA ALA A 54 0.283 1.348 7.064 1.00 0.00 C ATOM 887 C ALA A 54 -0.818 2.376 6.786 1.00 0.00 C ATOM 888 O ALA A 54 -1.951 2.029 6.497 1.00 0.00 O ATOM 889 CB ALA A 54 0.526 1.251 8.572 1.00 0.00 C ATOM 0 H ALA A 54 2.324 1.975 7.013 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.026 0.375 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.392 0.938 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.311 0.521 8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.832 2.225 8.955 1.00 0.00 H new ATOM 895 N SER A 55 -0.485 3.639 6.863 1.00 0.00 N ATOM 896 CA SER A 55 -1.499 4.701 6.600 1.00 0.00 C ATOM 897 C SER A 55 -1.931 4.623 5.138 1.00 0.00 C ATOM 898 O SER A 55 -3.089 4.808 4.813 1.00 0.00 O ATOM 899 CB SER A 55 -0.888 6.074 6.881 1.00 0.00 C ATOM 900 OG SER A 55 0.190 6.300 5.982 1.00 0.00 O ATOM 0 H SER A 55 0.447 3.980 7.097 1.00 0.00 H new ATOM 0 HA SER A 55 -2.363 4.555 7.248 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.643 6.852 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.535 6.124 7.911 1.00 0.00 H new ATOM 0 HG SER A 55 0.900 5.646 6.151 1.00 0.00 H new ATOM 906 N PHE A 56 -1.004 4.346 4.255 1.00 0.00 N ATOM 907 CA PHE A 56 -1.349 4.251 2.804 1.00 0.00 C ATOM 908 C PHE A 56 -2.360 3.119 2.591 1.00 0.00 C ATOM 909 O PHE A 56 -3.245 3.217 1.759 1.00 0.00 O ATOM 910 CB PHE A 56 -0.080 3.962 1.998 1.00 0.00 C ATOM 911 CG PHE A 56 -0.293 4.366 0.558 1.00 0.00 C ATOM 912 CD1 PHE A 56 -1.047 3.548 -0.292 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.265 5.555 0.073 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.243 3.920 -1.628 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.069 5.926 -1.263 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.686 5.108 -2.114 1.00 0.00 C ATOM 0 H PHE A 56 -0.022 4.181 4.477 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.785 5.193 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.763 4.509 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.167 2.902 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.477 2.631 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.846 6.186 0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.825 3.289 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.500 6.843 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.838 5.394 -3.144 1.00 0.00 H new ATOM 926 N VAL A 57 -2.239 2.052 3.340 1.00 0.00 N ATOM 927 CA VAL A 57 -3.194 0.913 3.190 1.00 0.00 C ATOM 928 C VAL A 57 -4.592 1.381 3.590 1.00 0.00 C ATOM 929 O VAL A 57 -5.575 1.048 2.956 1.00 0.00 O ATOM 930 CB VAL A 57 -2.776 -0.252 4.097 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.549 -1.510 3.690 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.269 -0.513 3.965 1.00 0.00 C ATOM 0 H VAL A 57 -1.519 1.921 4.050 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.190 0.576 2.153 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.001 0.003 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.256 -2.341 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.619 -1.330 3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.324 -1.756 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.985 -1.342 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.032 -0.764 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.718 0.381 4.257 1.00 0.00 H new ATOM 942 N ARG A 58 -4.683 2.150 4.645 1.00 0.00 N ATOM 943 CA ARG A 58 -6.013 2.649 5.109 1.00 0.00 C ATOM 944 C ARG A 58 -6.683 3.479 4.006 1.00 0.00 C ATOM 945 O ARG A 58 -7.856 3.314 3.726 1.00 0.00 O ATOM 946 CB ARG A 58 -5.820 3.521 6.353 1.00 0.00 C ATOM 947 CG ARG A 58 -7.022 3.359 7.297 1.00 0.00 C ATOM 948 CD ARG A 58 -6.600 2.604 8.564 1.00 0.00 C ATOM 949 NE ARG A 58 -7.548 1.480 8.808 1.00 0.00 N ATOM 950 CZ ARG A 58 -7.155 0.426 9.470 1.00 0.00 C ATOM 951 NH1 ARG A 58 -6.256 -0.369 8.956 1.00 0.00 N ATOM 952 NH2 ARG A 58 -7.660 0.168 10.644 1.00 0.00 N ATOM 0 H ARG A 58 -3.889 2.455 5.208 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.649 1.797 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.902 3.238 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.713 4.566 6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.419 4.338 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.821 2.817 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.586 2.221 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.593 3.281 9.419 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.504 1.535 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.861 -0.166 8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.948 -1.193 9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.362 0.790 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.353 -0.656 11.161 1.00 0.00 H new ATOM 966 N GLN A 59 -5.953 4.376 3.387 1.00 0.00 N ATOM 967 CA GLN A 59 -6.553 5.227 2.310 1.00 0.00 C ATOM 968 C GLN A 59 -7.123 4.347 1.193 1.00 0.00 C ATOM 969 O GLN A 59 -8.226 4.560 0.733 1.00 0.00 O ATOM 970 CB GLN A 59 -5.483 6.150 1.720 1.00 0.00 C ATOM 971 CG GLN A 59 -5.273 7.360 2.632 1.00 0.00 C ATOM 972 CD GLN A 59 -4.193 7.042 3.666 1.00 0.00 C ATOM 973 OE1 GLN A 59 -3.046 6.835 3.319 1.00 0.00 O ATOM 974 NE2 GLN A 59 -4.512 6.992 4.930 1.00 0.00 N ATOM 0 H GLN A 59 -4.968 4.556 3.581 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.355 5.822 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.546 5.606 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.785 6.481 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.980 8.227 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.206 7.617 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.474 7.166 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.799 6.779 5.628 1.00 0.00 H new ATOM 983 N LEU A 60 -6.373 3.371 0.747 1.00 0.00 N ATOM 984 CA LEU A 60 -6.861 2.482 -0.352 1.00 0.00 C ATOM 985 C LEU A 60 -8.163 1.784 0.060 1.00 0.00 C ATOM 986 O LEU A 60 -9.047 1.578 -0.751 1.00 0.00 O ATOM 987 CB LEU A 60 -5.799 1.425 -0.656 1.00 0.00 C ATOM 988 CG LEU A 60 -4.523 2.107 -1.150 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.348 1.132 -1.044 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.704 2.528 -2.610 1.00 0.00 C ATOM 0 H LEU A 60 -5.441 3.151 1.098 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.050 3.089 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.587 0.840 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.168 0.731 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.321 2.987 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.439 1.619 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.219 0.830 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.549 0.252 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.795 3.014 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.905 1.648 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.541 3.222 -2.687 1.00 0.00 H new ATOM 1002 N ASN A 61 -8.280 1.410 1.306 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.516 0.710 1.774 1.00 0.00 C ATOM 1004 C ASN A 61 -10.680 1.699 1.905 1.00 0.00 C ATOM 1005 O ASN A 61 -11.832 1.306 1.904 1.00 0.00 O ATOM 1006 CB ASN A 61 -9.244 0.064 3.134 1.00 0.00 C ATOM 1007 CG ASN A 61 -9.996 -1.266 3.229 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -11.187 -1.289 3.470 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -9.346 -2.381 3.046 1.00 0.00 N ATOM 0 H ASN A 61 -7.571 1.559 2.024 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.786 -0.053 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.174 -0.101 3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.562 0.731 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.837 -3.273 3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.346 -2.361 2.844 1.00 0.00 H new ATOM 1016 N MET A 62 -10.395 2.971 2.036 1.00 0.00 N ATOM 1017 CA MET A 62 -11.491 3.974 2.189 1.00 0.00 C ATOM 1018 C MET A 62 -11.968 4.486 0.822 1.00 0.00 C ATOM 1019 O MET A 62 -12.634 5.502 0.743 1.00 0.00 O ATOM 1020 CB MET A 62 -10.982 5.153 3.020 1.00 0.00 C ATOM 1021 CG MET A 62 -11.301 4.916 4.497 1.00 0.00 C ATOM 1022 SD MET A 62 -13.041 5.307 4.810 1.00 0.00 S ATOM 1023 CE MET A 62 -12.788 6.284 6.312 1.00 0.00 C ATOM 0 H MET A 62 -9.451 3.357 2.043 1.00 0.00 H new ATOM 0 HA MET A 62 -12.332 3.493 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.907 5.269 2.884 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.448 6.078 2.681 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.097 3.879 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 62 -10.660 5.537 5.123 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.751 6.634 6.685 1.00 0.00 H new ATOM 0 HE2 MET A 62 -12.307 5.667 7.071 1.00 0.00 H new ATOM 0 HE3 MET A 62 -12.153 7.141 6.086 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.647 3.803 -0.252 1.00 0.00 N ATOM 1034 CA TYR A 63 -12.100 4.272 -1.597 1.00 0.00 C ATOM 1035 C TYR A 63 -12.696 3.107 -2.388 1.00 0.00 C ATOM 1036 O TYR A 63 -13.764 3.220 -2.959 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.912 4.848 -2.363 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.505 6.154 -1.732 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.415 7.216 -1.668 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.220 6.301 -1.208 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.034 8.427 -1.080 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.837 7.511 -0.618 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.744 8.575 -0.554 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.369 9.769 0.027 1.00 0.00 O ATOM 0 H TYR A 63 -11.094 2.946 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.861 5.041 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.078 4.146 -2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.178 5.002 -3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.410 7.101 -2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.520 5.480 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.734 9.248 -1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.842 7.624 -0.212 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.549 9.636 0.548 1.00 0.00 H new ATOM 1054 N GLY A 64 -12.011 1.994 -2.431 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.534 0.820 -3.193 1.00 0.00 C ATOM 1056 C GLY A 64 -11.367 -0.034 -3.694 1.00 0.00 C ATOM 1057 O GLY A 64 -11.342 -0.456 -4.835 1.00 0.00 O ATOM 0 H GLY A 64 -11.112 1.847 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.187 0.223 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.136 1.160 -4.036 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.407 -0.299 -2.846 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.241 -1.134 -3.259 1.00 0.00 C ATOM 1063 C TRP A 65 -9.119 -2.318 -2.300 1.00 0.00 C ATOM 1064 O TRP A 65 -9.179 -2.154 -1.096 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.963 -0.294 -3.201 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.943 0.659 -4.354 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.898 2.006 -4.246 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.967 0.361 -5.780 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.895 2.556 -5.516 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.936 1.583 -6.495 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -8.014 -0.837 -6.516 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.949 1.614 -7.890 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -8.027 -0.809 -7.920 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -7.996 0.414 -8.606 1.00 0.00 C ATOM 0 H TRP A 65 -10.381 0.029 -1.881 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.385 -1.495 -4.277 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.918 0.255 -2.260 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.087 -0.942 -3.235 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.869 2.562 -3.320 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.866 3.558 -5.706 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.040 -1.784 -5.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.923 2.559 -8.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -8.061 -1.735 -8.475 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.008 0.429 -9.686 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.959 -3.509 -2.819 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.842 -4.703 -1.929 1.00 0.00 C ATOM 1087 C HIS A 66 -7.810 -5.679 -2.496 1.00 0.00 C ATOM 1088 O HIS A 66 -7.638 -5.787 -3.696 1.00 0.00 O ATOM 1089 CB HIS A 66 -10.202 -5.403 -1.833 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.251 -4.414 -1.399 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.805 -3.492 -2.272 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -11.857 -4.193 -0.186 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.700 -2.764 -1.579 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.772 -3.150 -0.303 1.00 0.00 N ATOM 0 H HIS A 66 -8.904 -3.706 -3.818 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.523 -4.379 -0.938 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.470 -5.832 -2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.149 -6.227 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.655 -4.744 0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.289 -1.964 -2.004 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.369 -2.764 0.429 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.131 -6.396 -1.637 1.00 0.00 N ATOM 1103 CA LYS A 67 -6.114 -7.380 -2.109 1.00 0.00 C ATOM 1104 C LYS A 67 -6.815 -8.697 -2.443 1.00 0.00 C ATOM 1105 O LYS A 67 -6.952 -9.558 -1.599 1.00 0.00 O ATOM 1106 CB LYS A 67 -5.086 -7.623 -1.002 1.00 0.00 C ATOM 1107 CG LYS A 67 -3.967 -6.584 -1.101 1.00 0.00 C ATOM 1108 CD LYS A 67 -2.656 -7.197 -0.606 1.00 0.00 C ATOM 1109 CE LYS A 67 -2.721 -7.386 0.911 1.00 0.00 C ATOM 1110 NZ LYS A 67 -1.931 -8.590 1.298 1.00 0.00 N ATOM 0 H LYS A 67 -7.239 -6.341 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.609 -6.992 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.567 -7.562 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.672 -8.627 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.858 -6.249 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.218 -5.706 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.483 -8.155 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.818 -6.550 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.328 -6.503 1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.757 -7.500 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.976 -8.718 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.325 -9.430 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.940 -8.463 1.007 1.00 0.00 H new ATOM 1124 N VAL A 68 -7.261 -8.851 -3.675 1.00 0.00 N ATOM 1125 CA VAL A 68 -7.978 -10.108 -4.120 1.00 0.00 C ATOM 1126 C VAL A 68 -8.969 -10.594 -3.051 1.00 0.00 C ATOM 1127 O VAL A 68 -8.609 -11.317 -2.141 1.00 0.00 O ATOM 1128 CB VAL A 68 -6.990 -11.246 -4.457 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -6.544 -11.109 -5.913 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -5.753 -11.208 -3.550 1.00 0.00 C ATOM 0 H VAL A 68 -7.158 -8.148 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.527 -9.847 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.501 -12.196 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.846 -11.910 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.413 -11.174 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.054 -10.146 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.081 -12.024 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.237 -10.256 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.061 -11.317 -2.510 1.00 0.00 H new ATOM 1140 N GLN A 69 -10.210 -10.195 -3.162 1.00 0.00 N ATOM 1141 CA GLN A 69 -11.232 -10.621 -2.163 1.00 0.00 C ATOM 1142 C GLN A 69 -11.977 -11.857 -2.682 1.00 0.00 C ATOM 1143 O GLN A 69 -13.194 -11.886 -2.736 1.00 0.00 O ATOM 1144 CB GLN A 69 -12.221 -9.474 -1.933 1.00 0.00 C ATOM 1145 CG GLN A 69 -12.673 -9.474 -0.471 1.00 0.00 C ATOM 1146 CD GLN A 69 -11.602 -8.808 0.394 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -10.841 -9.480 1.063 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -11.508 -7.507 0.411 1.00 0.00 N ATOM 0 H GLN A 69 -10.559 -9.590 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.743 -10.872 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.753 -8.521 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.083 -9.586 -2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.619 -8.941 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.845 -10.496 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.146 -6.942 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.797 -7.055 0.985 1.00 0.00 H new ATOM 1157 N ASP A 70 -11.252 -12.879 -3.060 1.00 0.00 N ATOM 1158 CA ASP A 70 -11.906 -14.120 -3.574 1.00 0.00 C ATOM 1159 C ASP A 70 -11.955 -15.166 -2.456 1.00 0.00 C ATOM 1160 O ASP A 70 -13.014 -15.527 -1.979 1.00 0.00 O ATOM 1161 CB ASP A 70 -11.105 -14.665 -4.762 1.00 0.00 C ATOM 1162 CG ASP A 70 -12.064 -15.155 -5.850 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -13.029 -14.458 -6.119 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -11.816 -16.218 -6.396 1.00 0.00 O ATOM 0 H ASP A 70 -10.233 -12.907 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.921 -13.893 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.454 -13.887 -5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.462 -15.482 -4.435 1.00 0.00 H new ATOM 1169 N VAL A 71 -10.814 -15.646 -2.033 1.00 0.00 N ATOM 1170 CA VAL A 71 -10.778 -16.664 -0.939 1.00 0.00 C ATOM 1171 C VAL A 71 -9.434 -16.581 -0.217 1.00 0.00 C ATOM 1172 O VAL A 71 -8.385 -16.662 -0.828 1.00 0.00 O ATOM 1173 CB VAL A 71 -10.964 -18.072 -1.521 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -12.417 -18.254 -1.962 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -10.039 -18.267 -2.726 1.00 0.00 C ATOM 0 H VAL A 71 -9.901 -15.376 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.587 -16.464 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.717 -18.809 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.549 -19.254 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.077 -18.126 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.662 -17.512 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.178 -19.269 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.278 -17.528 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.002 -18.143 -2.413 1.00 0.00 H new ATOM 1185 N LYS A 72 -9.459 -16.414 1.081 1.00 0.00 N ATOM 1186 CA LYS A 72 -8.187 -16.320 1.856 1.00 0.00 C ATOM 1187 C LYS A 72 -7.426 -17.644 1.758 1.00 0.00 C ATOM 1188 O LYS A 72 -8.002 -18.710 1.877 1.00 0.00 O ATOM 1189 CB LYS A 72 -8.504 -16.014 3.322 1.00 0.00 C ATOM 1190 CG LYS A 72 -9.457 -17.078 3.884 1.00 0.00 C ATOM 1191 CD LYS A 72 -8.688 -18.029 4.809 1.00 0.00 C ATOM 1192 CE LYS A 72 -8.565 -17.406 6.203 1.00 0.00 C ATOM 1193 NZ LYS A 72 -8.779 -18.456 7.239 1.00 0.00 N ATOM 0 H LYS A 72 -10.310 -16.339 1.639 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.570 -15.521 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.584 -15.993 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.957 -15.026 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.268 -16.599 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.912 -17.639 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.204 -18.987 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.697 -18.228 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.580 -16.955 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.298 -16.608 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.695 -18.032 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.728 -18.867 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.063 -19.203 7.130 1.00 0.00 H new ATOM 1207 N SER A 73 -6.135 -17.582 1.546 1.00 0.00 N ATOM 1208 CA SER A 73 -5.324 -18.833 1.440 1.00 0.00 C ATOM 1209 C SER A 73 -5.423 -19.618 2.750 1.00 0.00 C ATOM 1210 O SER A 73 -6.055 -20.655 2.815 1.00 0.00 O ATOM 1211 CB SER A 73 -3.862 -18.469 1.176 1.00 0.00 C ATOM 1212 OG SER A 73 -3.051 -19.621 1.367 1.00 0.00 O ATOM 0 H SER A 73 -5.607 -16.716 1.442 1.00 0.00 H new ATOM 0 HA SER A 73 -5.703 -19.444 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.746 -18.093 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.546 -17.672 1.849 1.00 0.00 H new ATOM 0 HG SER A 73 -2.655 -19.888 0.511 1.00 0.00 H new ATOM 1218 N GLY A 74 -4.802 -19.126 3.791 1.00 0.00 N ATOM 1219 CA GLY A 74 -4.854 -19.831 5.104 1.00 0.00 C ATOM 1220 C GLY A 74 -3.443 -20.246 5.518 1.00 0.00 C ATOM 1221 O GLY A 74 -2.947 -19.842 6.553 1.00 0.00 O ATOM 0 H GLY A 74 -4.259 -18.262 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.289 -19.179 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.496 -20.709 5.032 1.00 0.00 H new ATOM 1225 N SER A 75 -2.794 -21.049 4.714 1.00 0.00 N ATOM 1226 CA SER A 75 -1.412 -21.496 5.055 1.00 0.00 C ATOM 1227 C SER A 75 -0.399 -20.726 4.184 1.00 0.00 C ATOM 1228 O SER A 75 -0.006 -19.628 4.526 1.00 0.00 O ATOM 1229 CB SER A 75 -1.299 -23.009 4.831 1.00 0.00 C ATOM 1230 OG SER A 75 0.056 -23.407 4.987 1.00 0.00 O ATOM 0 H SER A 75 -3.163 -21.414 3.836 1.00 0.00 H new ATOM 0 HA SER A 75 -1.194 -21.287 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.931 -23.542 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.654 -23.268 3.833 1.00 0.00 H new ATOM 0 HG SER A 75 0.131 -24.374 4.846 1.00 0.00 H new ATOM 1236 N MET A 76 0.024 -21.278 3.059 1.00 0.00 N ATOM 1237 CA MET A 76 1.005 -20.567 2.172 1.00 0.00 C ATOM 1238 C MET A 76 2.205 -20.064 2.988 1.00 0.00 C ATOM 1239 O MET A 76 2.180 -18.976 3.534 1.00 0.00 O ATOM 1240 CB MET A 76 0.305 -19.382 1.488 1.00 0.00 C ATOM 1241 CG MET A 76 0.126 -19.675 -0.005 1.00 0.00 C ATOM 1242 SD MET A 76 -1.034 -21.048 -0.217 1.00 0.00 S ATOM 1243 CE MET A 76 -1.260 -20.881 -2.004 1.00 0.00 C ATOM 0 H MET A 76 -0.272 -22.194 2.721 1.00 0.00 H new ATOM 0 HA MET A 76 1.370 -21.264 1.417 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.665 -19.204 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.893 -18.474 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.246 -18.788 -0.518 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.087 -19.924 -0.455 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.953 -21.645 -2.356 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.663 -19.894 -2.229 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.300 -21.003 -2.505 1.00 0.00 H new ATOM 1253 N LEU A 77 3.249 -20.848 3.073 1.00 0.00 N ATOM 1254 CA LEU A 77 4.450 -20.423 3.852 1.00 0.00 C ATOM 1255 C LEU A 77 5.051 -19.163 3.218 1.00 0.00 C ATOM 1256 O LEU A 77 5.030 -18.991 2.015 1.00 0.00 O ATOM 1257 CB LEU A 77 5.484 -21.557 3.850 1.00 0.00 C ATOM 1258 CG LEU A 77 5.606 -22.150 5.258 1.00 0.00 C ATOM 1259 CD1 LEU A 77 4.461 -23.138 5.504 1.00 0.00 C ATOM 1260 CD2 LEU A 77 6.946 -22.880 5.387 1.00 0.00 C ATOM 0 H LEU A 77 3.321 -21.766 2.635 1.00 0.00 H new ATOM 0 HA LEU A 77 4.163 -20.202 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.186 -22.332 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.451 -21.179 3.519 1.00 0.00 H new ATOM 0 HG LEU A 77 5.553 -21.348 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.551 -23.557 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.507 -22.619 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.509 -23.941 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.035 -23.303 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.997 -23.681 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.761 -22.177 5.216 1.00 0.00 H new ATOM 1272 N SER A 78 5.583 -18.281 4.029 1.00 0.00 N ATOM 1273 CA SER A 78 6.188 -17.020 3.497 1.00 0.00 C ATOM 1274 C SER A 78 5.111 -16.194 2.787 1.00 0.00 C ATOM 1275 O SER A 78 5.042 -16.156 1.572 1.00 0.00 O ATOM 1276 CB SER A 78 7.310 -17.356 2.511 1.00 0.00 C ATOM 1277 OG SER A 78 7.920 -18.582 2.890 1.00 0.00 O ATOM 0 H SER A 78 5.624 -18.381 5.043 1.00 0.00 H new ATOM 0 HA SER A 78 6.601 -16.444 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.910 -17.434 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.051 -16.557 2.500 1.00 0.00 H new ATOM 0 HG SER A 78 8.637 -18.799 2.259 1.00 0.00 H new ATOM 1283 N ASN A 79 4.272 -15.528 3.540 1.00 0.00 N ATOM 1284 CA ASN A 79 3.197 -14.696 2.923 1.00 0.00 C ATOM 1285 C ASN A 79 3.524 -13.216 3.130 1.00 0.00 C ATOM 1286 O ASN A 79 4.389 -12.867 3.912 1.00 0.00 O ATOM 1287 CB ASN A 79 1.854 -15.022 3.583 1.00 0.00 C ATOM 1288 CG ASN A 79 1.971 -14.858 5.100 1.00 0.00 C ATOM 1289 OD1 ASN A 79 2.416 -15.755 5.787 1.00 0.00 O ATOM 1290 ND2 ASN A 79 1.585 -13.742 5.655 1.00 0.00 N ATOM 0 H ASN A 79 4.286 -15.526 4.560 1.00 0.00 H new ATOM 0 HA ASN A 79 3.135 -14.911 1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.078 -14.362 3.195 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.556 -16.042 3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.657 -13.623 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.211 -12.988 5.078 1.00 0.00 H new ATOM 1297 N ASN A 80 2.838 -12.344 2.433 1.00 0.00 N ATOM 1298 CA ASN A 80 3.098 -10.878 2.579 1.00 0.00 C ATOM 1299 C ASN A 80 4.556 -10.571 2.220 1.00 0.00 C ATOM 1300 O ASN A 80 5.238 -9.841 2.917 1.00 0.00 O ATOM 1301 CB ASN A 80 2.819 -10.448 4.024 1.00 0.00 C ATOM 1302 CG ASN A 80 1.347 -10.057 4.169 1.00 0.00 C ATOM 1303 OD1 ASN A 80 0.775 -9.458 3.280 1.00 0.00 O ATOM 1304 ND2 ASN A 80 0.704 -10.372 5.261 1.00 0.00 N ATOM 0 H ASN A 80 2.105 -12.586 1.766 1.00 0.00 H new ATOM 0 HA ASN A 80 2.441 -10.327 1.906 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.059 -11.262 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.457 -9.606 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.277 -10.115 5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.183 -10.875 6.008 1.00 0.00 H new ATOM 1311 N ASP A 81 5.035 -11.120 1.134 1.00 0.00 N ATOM 1312 CA ASP A 81 6.446 -10.866 0.720 1.00 0.00 C ATOM 1313 C ASP A 81 6.572 -9.430 0.194 1.00 0.00 C ATOM 1314 O ASP A 81 5.731 -8.591 0.455 1.00 0.00 O ATOM 1315 CB ASP A 81 6.843 -11.862 -0.377 1.00 0.00 C ATOM 1316 CG ASP A 81 8.279 -12.339 -0.147 1.00 0.00 C ATOM 1317 OD1 ASP A 81 8.605 -12.654 0.986 1.00 0.00 O ATOM 1318 OD2 ASP A 81 9.031 -12.379 -1.107 1.00 0.00 O ATOM 0 H ASP A 81 4.508 -11.735 0.514 1.00 0.00 H new ATOM 0 HA ASP A 81 7.109 -10.994 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.162 -12.713 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.759 -11.391 -1.357 1.00 0.00 H new ATOM 1323 N SER A 82 7.621 -9.144 -0.538 1.00 0.00 N ATOM 1324 CA SER A 82 7.816 -7.764 -1.076 1.00 0.00 C ATOM 1325 C SER A 82 6.900 -7.514 -2.288 1.00 0.00 C ATOM 1326 O SER A 82 6.861 -6.419 -2.817 1.00 0.00 O ATOM 1327 CB SER A 82 9.279 -7.590 -1.495 1.00 0.00 C ATOM 1328 OG SER A 82 9.777 -6.368 -0.964 1.00 0.00 O ATOM 0 H SER A 82 8.352 -9.810 -0.786 1.00 0.00 H new ATOM 0 HA SER A 82 7.561 -7.045 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.875 -8.427 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.360 -7.588 -2.582 1.00 0.00 H new ATOM 0 HG SER A 82 10.714 -6.254 -1.229 1.00 0.00 H new ATOM 1334 N ARG A 83 6.166 -8.509 -2.736 1.00 0.00 N ATOM 1335 CA ARG A 83 5.266 -8.308 -3.911 1.00 0.00 C ATOM 1336 C ARG A 83 3.854 -7.970 -3.423 1.00 0.00 C ATOM 1337 O ARG A 83 3.241 -8.729 -2.697 1.00 0.00 O ATOM 1338 CB ARG A 83 5.231 -9.591 -4.750 1.00 0.00 C ATOM 1339 CG ARG A 83 6.165 -9.450 -5.956 1.00 0.00 C ATOM 1340 CD ARG A 83 5.739 -10.437 -7.045 1.00 0.00 C ATOM 1341 NE ARG A 83 6.534 -10.196 -8.283 1.00 0.00 N ATOM 1342 CZ ARG A 83 6.121 -10.678 -9.424 1.00 0.00 C ATOM 1343 NH1 ARG A 83 5.094 -10.143 -10.026 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.735 -11.695 -9.966 1.00 0.00 N ATOM 0 H ARG A 83 6.154 -9.448 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 83 5.640 -7.487 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.535 -10.443 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.213 -9.787 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.130 -8.430 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.195 -9.643 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.887 -11.460 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.676 -10.323 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 83 7.398 -9.656 -8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.613 -9.348 -9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.772 -10.520 -10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.539 -12.114 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.411 -12.070 -10.857 1.00 0.00 H new ATOM 1358 N TRP A 84 3.336 -6.832 -3.819 1.00 0.00 N ATOM 1359 CA TRP A 84 1.964 -6.431 -3.385 1.00 0.00 C ATOM 1360 C TRP A 84 1.115 -6.126 -4.621 1.00 0.00 C ATOM 1361 O TRP A 84 1.509 -5.352 -5.472 1.00 0.00 O ATOM 1362 CB TRP A 84 2.047 -5.176 -2.512 1.00 0.00 C ATOM 1363 CG TRP A 84 2.846 -5.468 -1.282 1.00 0.00 C ATOM 1364 CD1 TRP A 84 4.139 -5.866 -1.271 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.432 -5.388 0.114 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.544 -6.039 0.040 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.528 -5.756 0.930 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.225 -5.037 0.745 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.430 -5.775 2.322 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 1.122 -5.055 2.146 1.00 0.00 C ATOM 1371 CH2 TRP A 84 2.223 -5.424 2.932 1.00 0.00 C ATOM 0 H TRP A 84 3.808 -6.162 -4.427 1.00 0.00 H new ATOM 0 HA TRP A 84 1.512 -7.242 -2.814 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.508 -4.362 -3.072 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.045 -4.846 -2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.755 -6.023 -2.144 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.479 -6.339 0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.371 -4.752 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.281 -6.059 2.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.190 -4.783 2.620 1.00 0.00 H new ATOM 0 HH2 TRP A 84 2.138 -5.437 4.009 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.045 -6.724 -4.727 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.918 -6.465 -5.911 1.00 0.00 C ATOM 1384 C GLU A 85 -2.294 -5.985 -5.443 1.00 0.00 C ATOM 1385 O GLU A 85 -3.007 -6.697 -4.761 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.078 -7.756 -6.716 1.00 0.00 C ATOM 1387 CG GLU A 85 0.005 -7.822 -7.793 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.233 -9.043 -8.683 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.945 -8.907 -9.664 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.300 -10.094 -8.366 1.00 0.00 O ATOM 0 H GLU A 85 -0.425 -7.380 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.461 -5.697 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.003 -8.620 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.066 -7.791 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.009 -6.913 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.990 -7.883 -7.330 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.671 -4.786 -5.808 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.005 -4.254 -5.391 1.00 0.00 C ATOM 1399 C PHE A 86 -4.962 -4.328 -6.581 1.00 0.00 C ATOM 1400 O PHE A 86 -4.732 -3.719 -7.610 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.887 -2.788 -4.933 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.647 -2.577 -4.083 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -2.269 -3.527 -3.121 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.878 -1.420 -4.259 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.124 -3.317 -2.343 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.735 -1.212 -3.479 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.358 -2.160 -2.522 1.00 0.00 C ATOM 0 H PHE A 86 -2.112 -4.151 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.380 -4.852 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.850 -2.134 -5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.774 -2.510 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.861 -4.419 -2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.167 -0.687 -4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.832 -4.049 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.143 -0.319 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.525 -1.999 -1.921 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.032 -5.070 -6.448 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.008 -5.191 -7.568 1.00 0.00 C ATOM 1419 C GLU A 87 -8.362 -4.630 -7.127 1.00 0.00 C ATOM 1420 O GLU A 87 -8.603 -4.410 -5.955 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.159 -6.666 -7.959 1.00 0.00 C ATOM 1422 CG GLU A 87 -6.421 -6.929 -9.276 1.00 0.00 C ATOM 1423 CD GLU A 87 -5.020 -7.468 -8.982 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -4.892 -8.267 -8.068 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -4.097 -7.073 -9.677 1.00 0.00 O ATOM 0 H GLU A 87 -6.271 -5.598 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.648 -4.627 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.757 -7.304 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.214 -6.918 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.978 -7.646 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.353 -6.009 -9.856 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.245 -4.397 -8.065 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.587 -3.845 -7.722 1.00 0.00 C ATOM 1434 C ASN A 88 -11.486 -4.958 -7.174 1.00 0.00 C ATOM 1435 O ASN A 88 -11.235 -6.130 -7.377 1.00 0.00 O ATOM 1436 CB ASN A 88 -11.221 -3.252 -8.980 1.00 0.00 C ATOM 1437 CG ASN A 88 -12.426 -2.394 -8.591 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -12.360 -1.624 -7.653 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -13.530 -2.495 -9.277 1.00 0.00 N ATOM 0 H ASN A 88 -9.091 -4.567 -9.059 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.476 -3.071 -6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -10.490 -2.648 -9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -11.532 -4.050 -9.654 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.340 -1.927 -9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.584 -3.142 -10.064 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.534 -4.588 -6.481 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.468 -5.606 -5.911 1.00 0.00 C ATOM 1448 C GLU A 89 -14.414 -6.123 -7.003 1.00 0.00 C ATOM 1449 O GLU A 89 -14.993 -7.184 -6.874 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.289 -4.960 -4.793 1.00 0.00 C ATOM 1451 CG GLU A 89 -14.963 -6.047 -3.952 1.00 0.00 C ATOM 1452 CD GLU A 89 -16.063 -5.417 -3.095 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -15.728 -4.795 -2.100 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -17.222 -5.565 -3.449 1.00 0.00 O ATOM 0 H GLU A 89 -12.784 -3.619 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.892 -6.442 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.644 -4.347 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.042 -4.297 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.386 -6.814 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.227 -6.538 -3.315 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.575 -5.379 -8.072 1.00 0.00 N ATOM 1462 CA ARG A 90 -15.482 -5.815 -9.176 1.00 0.00 C ATOM 1463 C ARG A 90 -16.929 -5.912 -8.651 1.00 0.00 C ATOM 1464 O ARG A 90 -17.635 -4.921 -8.617 1.00 0.00 O ATOM 1465 CB ARG A 90 -14.995 -7.160 -9.747 1.00 0.00 C ATOM 1466 CG ARG A 90 -15.915 -7.605 -10.888 1.00 0.00 C ATOM 1467 CD ARG A 90 -15.661 -9.082 -11.204 1.00 0.00 C ATOM 1468 NE ARG A 90 -16.653 -9.925 -10.478 1.00 0.00 N ATOM 1469 CZ ARG A 90 -16.667 -11.217 -10.662 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -15.560 -11.902 -10.568 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -17.788 -11.826 -10.936 1.00 0.00 N ATOM 0 H ARG A 90 -14.113 -4.483 -8.226 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.465 -5.082 -9.982 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.972 -7.062 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.983 -7.916 -8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.958 -7.456 -10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.734 -6.996 -11.774 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.739 -9.254 -12.278 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.649 -9.359 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.320 -9.493 -9.838 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.684 -11.428 -10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.571 -12.912 -10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.654 -11.292 -11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.798 -12.836 -11.080 1.00 0.00 H new ATOM 1485 N HIS A 91 -17.386 -7.080 -8.250 1.00 0.00 N ATOM 1486 CA HIS A 91 -18.786 -7.198 -7.746 1.00 0.00 C ATOM 1487 C HIS A 91 -18.940 -8.481 -6.924 1.00 0.00 C ATOM 1488 O HIS A 91 -18.805 -9.575 -7.439 1.00 0.00 O ATOM 1489 CB HIS A 91 -19.745 -7.236 -8.938 1.00 0.00 C ATOM 1490 CG HIS A 91 -21.033 -6.557 -8.567 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -21.960 -7.143 -7.721 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -21.562 -5.339 -8.916 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -22.988 -6.287 -7.590 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -22.798 -5.171 -8.299 1.00 0.00 N ATOM 0 H HIS A 91 -16.850 -7.948 -8.252 1.00 0.00 H new ATOM 0 HA HIS A 91 -19.016 -6.342 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -19.294 -6.739 -9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.937 -8.268 -9.231 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.090 -4.620 -9.570 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -23.862 -6.478 -6.985 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -23.424 -4.369 -8.372 1.00 0.00 H new ATOM 1502 N ALA A 92 -19.228 -8.354 -5.651 1.00 0.00 N ATOM 1503 CA ALA A 92 -19.402 -9.563 -4.787 1.00 0.00 C ATOM 1504 C ALA A 92 -18.138 -10.427 -4.832 1.00 0.00 C ATOM 1505 O ALA A 92 -17.313 -10.284 -3.944 1.00 0.00 O ATOM 1506 CB ALA A 92 -20.592 -10.379 -5.293 1.00 0.00 C ATOM 1507 OXT ALA A 92 -18.018 -11.219 -5.752 1.00 0.00 O ATOM 0 H ALA A 92 -19.350 -7.462 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.581 -9.246 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.722 -11.261 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.495 -9.769 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -20.409 -10.689 -6.322 1.00 0.00 H new TER 1513 ALA A 92