USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1016 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 10 MET CE :methyl -176:sc= -0.0564 (180deg=-0.00233) USER MOD Set 1.2: A 119 MET CE :methyl -160:sc= -0.127 (180deg=-0.784) USER MOD Set 1.3: A 126 CYS SG : rot 165:sc= 0.0126 USER MOD Set 1.4: A 128 GLN : amide:sc= -0.136 X(o=-0.31,f=-0.39) USER MOD Set 2.1: A 94 GLN : amide:sc= 1 K(o=2.1,f=-0.17) USER MOD Set 2.2: A 107 THR OG1 : rot -45:sc= 1.14 USER MOD Set 3.1: A 85 THR OG1 : rot 180:sc= -0.0203 USER MOD Set 3.2: A 98 LYS NZ :NH3+ -170:sc= 0.165 (180deg=0.0275) USER MOD Set 4.1: A 62 MET CE :methyl -118:sc= 0 (180deg=-0.0068) USER MOD Set 4.2: A 95 CYS SG : rot -150:sc= -0.0467 USER MOD Set 5.1: A 40 LYS NZ :NH3+ 140:sc= 0.0212 (180deg=0) USER MOD Set 5.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.174 K(o=0.17,f=-3!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 116:sc= 1.23 USER MOD Single : A 13 ASN :FLIP amide:sc= 1.25 F(o=0.062,f=1.3) USER MOD Single : A 15 ASN : amide:sc= 0.669 K(o=0.67,f=-0.12) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0738 K(o=-0.074,f=-0.98) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0.412 (180deg=0.397) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= 0.806 (180deg=0.0194) USER MOD Single : A 44 GLN : amide:sc= 0.946 K(o=0.95,f=-3.2!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 49 MET CE :methyl 168:sc= 0 (180deg=-0.387) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00218 K(o=-0.0022,f=-0.58) USER MOD Single : A 60 TYR OH : rot 17:sc= 1.32 USER MOD Single : A 65 GLN : amide:sc= 0.0267 X(o=0.027,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 60:sc= 1.13 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= 0.316 (180deg=0.0952) USER MOD Single : A 108 GLN : amide:sc= 0.118 K(o=0.12,f=-1.1) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.293 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -171:sc= 0.114 (180deg=0.0962) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.124 -1.716 0.019 1.00 0.00 N ATOM 20 CA PRO A 1 4.545 -1.263 -0.004 1.00 0.00 C ATOM 21 C PRO A 1 5.294 -1.568 -1.356 1.00 0.00 C ATOM 22 O PRO A 1 4.753 -1.341 -2.441 1.00 0.00 O ATOM 23 CB PRO A 1 5.054 -1.946 1.289 1.00 0.00 C ATOM 24 CG PRO A 1 4.295 -3.269 1.373 1.00 0.00 C ATOM 25 CD PRO A 1 2.903 -2.924 0.845 1.00 0.00 C ATOM 0 H2 PRO A 1 2.820 -1.906 -0.936 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.539 -0.959 0.373 1.00 0.00 H new ATOM 0 HA PRO A 1 4.715 -0.186 0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.130 -2.112 1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 1 4.860 -1.325 2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.771 -4.042 0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.254 -3.642 2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.486 -3.740 0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.204 -2.729 1.659 1.00 0.00 H new ATOM 33 N VAL A 2 6.556 -2.026 -1.297 1.00 0.00 N ATOM 34 CA VAL A 2 7.419 -2.265 -2.491 1.00 0.00 C ATOM 35 C VAL A 2 8.042 -3.694 -2.341 1.00 0.00 C ATOM 36 O VAL A 2 8.525 -4.072 -1.267 1.00 0.00 O ATOM 37 CB VAL A 2 8.546 -1.173 -2.610 1.00 0.00 C ATOM 38 CG1 VAL A 2 9.354 -1.271 -3.926 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.086 0.299 -2.498 1.00 0.00 C ATOM 0 H VAL A 2 7.020 -2.246 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 2 6.824 -2.200 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 2 9.155 -1.414 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.114 -0.490 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.835 -2.247 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.683 -1.144 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.949 0.958 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.371 0.518 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.614 0.460 -1.529 1.00 0.00 H new ATOM 49 N ASP A 3 8.119 -4.469 -3.438 1.00 0.00 N ATOM 50 CA ASP A 3 8.993 -5.671 -3.502 1.00 0.00 C ATOM 51 C ASP A 3 10.485 -5.260 -3.707 1.00 0.00 C ATOM 52 O ASP A 3 10.890 -4.857 -4.802 1.00 0.00 O ATOM 53 CB ASP A 3 8.478 -6.610 -4.626 1.00 0.00 C ATOM 54 CG ASP A 3 7.383 -7.575 -4.173 1.00 0.00 C ATOM 55 OD1 ASP A 3 6.187 -7.304 -4.228 1.00 0.00 O ATOM 56 OD2 ASP A 3 7.887 -8.753 -3.686 1.00 0.00 O ATOM 0 H ASP A 3 7.592 -4.292 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 3 8.951 -6.213 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.097 -6.003 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.317 -7.186 -5.018 1.00 0.00 H new ATOM 62 N PHE A 4 11.310 -5.402 -2.655 1.00 0.00 N ATOM 63 CA PHE A 4 12.788 -5.183 -2.751 1.00 0.00 C ATOM 64 C PHE A 4 13.629 -6.389 -3.336 1.00 0.00 C ATOM 65 O PHE A 4 14.858 -6.380 -3.247 1.00 0.00 O ATOM 66 CB PHE A 4 13.268 -4.728 -1.334 1.00 0.00 C ATOM 67 CG PHE A 4 12.849 -3.358 -0.733 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.121 -2.394 -1.441 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.273 -3.055 0.568 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.867 -1.142 -0.887 1.00 0.00 C ATOM 71 CE2 PHE A 4 12.995 -1.809 1.133 1.00 0.00 C ATOM 72 CZ PHE A 4 12.292 -0.856 0.402 1.00 0.00 C ATOM 0 H PHE A 4 10.991 -5.667 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 4 12.973 -4.413 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.945 -5.494 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.358 -4.747 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.752 -2.624 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.819 -3.792 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.339 -0.394 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.325 -1.585 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.077 0.108 0.839 1.00 0.00 H new ATOM 82 N ASN A 5 12.990 -7.387 -3.980 1.00 0.00 N ATOM 83 CA ASN A 5 13.612 -8.651 -4.453 1.00 0.00 C ATOM 84 C ASN A 5 14.728 -8.478 -5.534 1.00 0.00 C ATOM 85 O ASN A 5 14.433 -8.110 -6.677 1.00 0.00 O ATOM 86 CB ASN A 5 12.455 -9.529 -5.024 1.00 0.00 C ATOM 87 CG ASN A 5 11.347 -9.924 -4.040 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.394 -9.188 -3.794 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.468 -11.068 -3.426 1.00 0.00 N ATOM 0 H ASN A 5 11.994 -7.338 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 5 14.123 -9.108 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.998 -8.992 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.889 -10.441 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.770 -11.354 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.260 -11.676 -3.633 1.00 0.00 H new ATOM 96 N GLY A 6 15.994 -8.773 -5.189 1.00 0.00 N ATOM 97 CA GLY A 6 17.112 -8.669 -6.162 1.00 0.00 C ATOM 98 C GLY A 6 18.528 -8.589 -5.559 1.00 0.00 C ATOM 99 O GLY A 6 18.728 -8.634 -4.342 1.00 0.00 O ATOM 0 H GLY A 6 16.273 -9.082 -4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.070 -9.532 -6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.950 -7.784 -6.778 1.00 0.00 H new ATOM 103 N TYR A 7 19.517 -8.457 -6.455 1.00 0.00 N ATOM 104 CA TYR A 7 20.941 -8.250 -6.071 1.00 0.00 C ATOM 105 C TYR A 7 21.345 -6.768 -6.350 1.00 0.00 C ATOM 106 O TYR A 7 21.220 -6.268 -7.475 1.00 0.00 O ATOM 107 CB TYR A 7 21.819 -9.269 -6.850 1.00 0.00 C ATOM 108 CG TYR A 7 23.214 -9.544 -6.261 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.276 -8.662 -6.489 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.445 -10.710 -5.524 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.544 -8.942 -5.990 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.711 -10.980 -5.006 1.00 0.00 C ATOM 113 CZ TYR A 7 25.759 -10.093 -5.239 1.00 0.00 C ATOM 114 OH TYR A 7 27.002 -10.340 -4.723 1.00 0.00 O ATOM 0 H TYR A 7 19.365 -8.489 -7.463 1.00 0.00 H new ATOM 0 HA TYR A 7 21.092 -8.426 -5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.279 -10.214 -6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.942 -8.907 -7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.110 -7.758 -7.056 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.637 -11.406 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.362 -8.265 -6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.879 -11.875 -4.425 1.00 0.00 H new ATOM 0 HH TYR A 7 26.987 -11.183 -4.223 1.00 0.00 H new ATOM 124 N TRP A 8 21.825 -6.085 -5.305 1.00 0.00 N ATOM 125 CA TRP A 8 22.044 -4.616 -5.317 1.00 0.00 C ATOM 126 C TRP A 8 23.546 -4.315 -5.016 1.00 0.00 C ATOM 127 O TRP A 8 24.059 -4.688 -3.956 1.00 0.00 O ATOM 128 CB TRP A 8 21.125 -3.969 -4.240 1.00 0.00 C ATOM 129 CG TRP A 8 19.606 -4.187 -4.371 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.866 -5.265 -3.830 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.678 -3.392 -5.010 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.499 -5.173 -4.143 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.403 -3.997 -4.859 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.811 -2.162 -5.699 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.255 -3.375 -5.391 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.660 -1.562 -6.211 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.404 -2.161 -6.068 1.00 0.00 C ATOM 0 H TRP A 8 22.076 -6.527 -4.421 1.00 0.00 H new ATOM 0 HA TRP A 8 21.799 -4.200 -6.294 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.435 -4.345 -3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.311 -2.895 -4.242 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.300 -6.063 -3.246 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.752 -5.823 -3.898 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.779 -1.700 -5.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.281 -3.827 -5.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.740 -0.617 -6.728 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.534 -1.677 -6.488 1.00 0.00 H new ATOM 148 N LYS A 9 24.247 -3.615 -5.922 1.00 0.00 N ATOM 149 CA LYS A 9 25.672 -3.207 -5.715 1.00 0.00 C ATOM 150 C LYS A 9 25.809 -1.749 -5.172 1.00 0.00 C ATOM 151 O LYS A 9 25.093 -0.858 -5.639 1.00 0.00 O ATOM 152 CB LYS A 9 26.473 -3.421 -7.032 1.00 0.00 C ATOM 153 CG LYS A 9 26.181 -2.465 -8.220 1.00 0.00 C ATOM 154 CD LYS A 9 27.150 -2.667 -9.403 1.00 0.00 C ATOM 155 CE LYS A 9 26.817 -1.823 -10.647 1.00 0.00 C ATOM 156 NZ LYS A 9 27.119 -0.392 -10.443 1.00 0.00 N ATOM 0 H LYS A 9 23.859 -3.312 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 9 26.098 -3.844 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.534 -3.346 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.294 -4.441 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.158 -2.622 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.247 -1.433 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.161 -2.425 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.149 -3.721 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.385 -2.195 -11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.761 -1.939 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.880 0.139 -11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.558 -0.029 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.131 -0.277 -10.235 1.00 0.00 H new ATOM 169 N MET A 10 26.746 -1.470 -4.242 1.00 0.00 N ATOM 170 CA MET A 10 26.972 -0.084 -3.735 1.00 0.00 C ATOM 171 C MET A 10 27.607 0.869 -4.808 1.00 0.00 C ATOM 172 O MET A 10 28.702 0.633 -5.330 1.00 0.00 O ATOM 173 CB MET A 10 27.811 -0.143 -2.433 1.00 0.00 C ATOM 174 CG MET A 10 28.013 1.228 -1.741 1.00 0.00 C ATOM 175 SD MET A 10 29.106 1.069 -0.321 1.00 0.00 S ATOM 176 CE MET A 10 27.893 0.670 0.937 1.00 0.00 C ATOM 0 H MET A 10 27.357 -2.172 -3.825 1.00 0.00 H new ATOM 0 HA MET A 10 26.000 0.355 -3.511 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.325 -0.822 -1.732 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.788 -0.568 -2.663 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.432 1.941 -2.451 1.00 0.00 H new ATOM 0 HG3 MET A 10 27.049 1.625 -1.422 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.384 0.605 1.908 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.131 1.449 0.967 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.426 -0.286 0.702 1.00 0.00 H new ATOM 186 N LEU A 11 26.920 1.992 -5.061 1.00 0.00 N ATOM 187 CA LEU A 11 27.491 3.150 -5.802 1.00 0.00 C ATOM 188 C LEU A 11 28.346 4.096 -4.897 1.00 0.00 C ATOM 189 O LEU A 11 29.463 4.449 -5.284 1.00 0.00 O ATOM 190 CB LEU A 11 26.347 3.947 -6.494 1.00 0.00 C ATOM 191 CG LEU A 11 25.531 3.254 -7.615 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.440 4.216 -8.113 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.402 2.821 -8.808 1.00 0.00 C ATOM 0 H LEU A 11 25.955 2.133 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 11 28.170 2.747 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.646 4.259 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.783 4.853 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 11 25.095 2.352 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.862 3.734 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.779 4.476 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.904 5.121 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.776 2.342 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.886 3.696 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.162 2.118 -8.467 1.00 0.00 H new ATOM 205 N SER A 12 27.829 4.540 -3.732 1.00 0.00 N ATOM 206 CA SER A 12 28.571 5.440 -2.807 1.00 0.00 C ATOM 207 C SER A 12 28.150 5.272 -1.313 1.00 0.00 C ATOM 208 O SER A 12 27.017 4.887 -1.003 1.00 0.00 O ATOM 209 CB SER A 12 28.407 6.904 -3.287 1.00 0.00 C ATOM 210 OG SER A 12 27.065 7.375 -3.150 1.00 0.00 O ATOM 0 H SER A 12 26.896 4.291 -3.403 1.00 0.00 H new ATOM 0 HA SER A 12 29.624 5.160 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 12 29.075 7.548 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.710 6.977 -4.331 1.00 0.00 H new ATOM 0 HG SER A 12 27.042 8.115 -2.508 1.00 0.00 H new ATOM 216 N ASN A 13 29.071 5.611 -0.391 1.00 0.00 N ATOM 217 CA ASN A 13 28.803 5.631 1.076 1.00 0.00 C ATOM 218 C ASN A 13 29.208 7.015 1.693 1.00 0.00 C ATOM 219 O ASN A 13 30.392 7.322 1.860 1.00 0.00 O ATOM 220 CB ASN A 13 29.419 4.381 1.779 1.00 0.00 C ATOM 221 CG ASN A 13 30.878 3.963 1.524 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.858 4.777 1.827 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 31.156 2.874 1.040 1.00 0.00 N flip ATOM 0 H ASN A 13 30.025 5.880 -0.633 1.00 0.00 H new ATOM 0 HA ASN A 13 27.732 5.543 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.315 4.536 2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 13 28.793 3.528 1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 13 30.413 2.220 0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 13 32.131 2.620 0.882 1.00 0.00 H new ATOM 230 N GLU A 14 28.207 7.849 2.023 1.00 0.00 N ATOM 231 CA GLU A 14 28.394 9.245 2.508 1.00 0.00 C ATOM 232 C GLU A 14 28.354 9.277 4.063 1.00 0.00 C ATOM 233 O GLU A 14 27.406 8.765 4.667 1.00 0.00 O ATOM 234 CB GLU A 14 27.223 10.142 2.008 1.00 0.00 C ATOM 235 CG GLU A 14 27.107 10.512 0.514 1.00 0.00 C ATOM 236 CD GLU A 14 26.646 9.408 -0.436 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.485 9.020 -0.532 1.00 0.00 O ATOM 238 OE2 GLU A 14 27.671 8.933 -1.191 1.00 0.00 O ATOM 0 H GLU A 14 27.226 7.576 1.962 1.00 0.00 H new ATOM 0 HA GLU A 14 29.352 9.606 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 14 26.294 9.647 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 14 27.270 11.076 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 14 26.414 11.349 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.080 10.867 0.175 1.00 0.00 H new ATOM 246 N ASN A 15 29.345 9.910 4.723 1.00 0.00 N ATOM 247 CA ASN A 15 29.413 9.984 6.226 1.00 0.00 C ATOM 248 C ASN A 15 29.554 8.616 7.008 1.00 0.00 C ATOM 249 O ASN A 15 29.347 8.556 8.224 1.00 0.00 O ATOM 250 CB ASN A 15 28.268 10.927 6.719 1.00 0.00 C ATOM 251 CG ASN A 15 28.445 11.545 8.105 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.460 12.158 8.416 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.463 11.447 8.967 1.00 0.00 N ATOM 0 H ASN A 15 30.117 10.383 4.253 1.00 0.00 H new ATOM 0 HA ASN A 15 30.377 10.419 6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.157 11.735 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.335 10.363 6.713 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.547 11.879 9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.614 10.939 8.718 1.00 0.00 H new ATOM 260 N PHE A 16 29.977 7.532 6.325 1.00 0.00 N ATOM 261 CA PHE A 16 30.121 6.178 6.928 1.00 0.00 C ATOM 262 C PHE A 16 31.218 6.038 8.037 1.00 0.00 C ATOM 263 O PHE A 16 30.934 5.444 9.080 1.00 0.00 O ATOM 264 CB PHE A 16 30.249 5.173 5.746 1.00 0.00 C ATOM 265 CG PHE A 16 30.132 3.665 6.053 1.00 0.00 C ATOM 266 CD1 PHE A 16 29.200 3.162 6.971 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.930 2.766 5.336 1.00 0.00 C ATOM 268 CE1 PHE A 16 29.114 1.793 7.211 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.823 1.395 5.558 1.00 0.00 C ATOM 270 CZ PHE A 16 29.924 0.911 6.503 1.00 0.00 C ATOM 0 H PHE A 16 30.230 7.565 5.338 1.00 0.00 H new ATOM 0 HA PHE A 16 29.233 5.952 7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.483 5.423 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.215 5.341 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.544 3.841 7.496 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.633 3.138 4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.419 1.416 7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 16 31.438 0.708 4.996 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.855 -0.151 6.687 1.00 0.00 H new ATOM 280 N GLU A 17 32.419 6.631 7.870 1.00 0.00 N ATOM 281 CA GLU A 17 33.426 6.750 8.973 1.00 0.00 C ATOM 282 C GLU A 17 32.956 7.509 10.262 1.00 0.00 C ATOM 283 O GLU A 17 33.291 7.067 11.362 1.00 0.00 O ATOM 284 CB GLU A 17 34.757 7.356 8.449 1.00 0.00 C ATOM 285 CG GLU A 17 35.496 6.509 7.387 1.00 0.00 C ATOM 286 CD GLU A 17 36.928 6.955 7.113 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.250 7.721 6.211 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.816 6.394 7.980 1.00 0.00 O ATOM 0 H GLU A 17 32.725 7.038 6.986 1.00 0.00 H new ATOM 0 HA GLU A 17 33.575 5.721 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.548 8.338 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.425 7.510 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.508 5.469 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.932 6.544 6.455 1.00 0.00 H new ATOM 296 N GLU A 18 32.179 8.606 10.149 1.00 0.00 N ATOM 297 CA GLU A 18 31.527 9.262 11.317 1.00 0.00 C ATOM 298 C GLU A 18 30.421 8.400 12.026 1.00 0.00 C ATOM 299 O GLU A 18 30.429 8.294 13.254 1.00 0.00 O ATOM 300 CB GLU A 18 30.985 10.631 10.827 1.00 0.00 C ATOM 301 CG GLU A 18 30.767 11.682 11.943 1.00 0.00 C ATOM 302 CD GLU A 18 31.950 12.622 12.175 1.00 0.00 C ATOM 303 OE1 GLU A 18 31.956 13.802 11.846 1.00 0.00 O ATOM 304 OE2 GLU A 18 33.002 12.006 12.782 1.00 0.00 O ATOM 0 H GLU A 18 31.983 9.063 9.259 1.00 0.00 H new ATOM 0 HA GLU A 18 32.272 9.391 12.102 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.681 11.040 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.038 10.467 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.889 12.279 11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.546 11.162 12.875 1.00 0.00 H new ATOM 312 N TYR A 19 29.503 7.763 11.267 1.00 0.00 N ATOM 313 CA TYR A 19 28.599 6.685 11.778 1.00 0.00 C ATOM 314 C TYR A 19 29.322 5.499 12.504 1.00 0.00 C ATOM 315 O TYR A 19 28.918 5.128 13.606 1.00 0.00 O ATOM 316 CB TYR A 19 27.710 6.249 10.575 1.00 0.00 C ATOM 317 CG TYR A 19 26.864 4.972 10.750 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.640 5.001 11.425 1.00 0.00 C ATOM 319 CD2 TYR A 19 27.363 3.748 10.289 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.929 3.819 11.632 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.648 2.572 10.494 1.00 0.00 C ATOM 322 CZ TYR A 19 25.428 2.610 11.161 1.00 0.00 C ATOM 323 OH TYR A 19 24.728 1.452 11.367 1.00 0.00 O ATOM 0 H TYR A 19 29.360 7.975 10.280 1.00 0.00 H new ATOM 0 HA TYR A 19 27.984 7.079 12.587 1.00 0.00 H new ATOM 0 HB2 TYR A 19 27.035 7.071 10.338 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.358 6.109 9.710 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.245 5.939 11.786 1.00 0.00 H new ATOM 0 HD2 TYR A 19 28.310 3.716 9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.987 3.843 12.160 1.00 0.00 H new ATOM 0 HE2 TYR A 19 27.040 1.631 10.136 1.00 0.00 H new ATOM 0 HH TYR A 19 25.217 0.700 10.973 1.00 0.00 H new ATOM 333 N LEU A 20 30.378 4.922 11.910 1.00 0.00 N ATOM 334 CA LEU A 20 31.243 3.918 12.589 1.00 0.00 C ATOM 335 C LEU A 20 32.001 4.453 13.856 1.00 0.00 C ATOM 336 O LEU A 20 32.014 3.759 14.875 1.00 0.00 O ATOM 337 CB LEU A 20 32.193 3.307 11.524 1.00 0.00 C ATOM 338 CG LEU A 20 31.549 2.451 10.397 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.555 2.243 9.256 1.00 0.00 C ATOM 340 CD2 LEU A 20 31.049 1.084 10.893 1.00 0.00 C ATOM 0 H LEU A 20 30.663 5.129 10.953 1.00 0.00 H new ATOM 0 HA LEU A 20 30.602 3.142 13.007 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.742 4.123 11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.925 2.687 12.042 1.00 0.00 H new ATOM 0 HG LEU A 20 30.680 3.004 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 32.096 1.642 8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.848 3.211 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.437 1.728 9.638 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.610 0.533 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.885 0.517 11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 20 30.297 1.231 11.668 1.00 0.00 H new ATOM 352 N ARG A 21 32.550 5.688 13.859 1.00 0.00 N ATOM 353 CA ARG A 21 32.982 6.380 15.116 1.00 0.00 C ATOM 354 C ARG A 21 31.867 6.529 16.217 1.00 0.00 C ATOM 355 O ARG A 21 32.106 6.174 17.373 1.00 0.00 O ATOM 356 CB ARG A 21 33.611 7.741 14.717 1.00 0.00 C ATOM 357 CG ARG A 21 34.384 8.456 15.855 1.00 0.00 C ATOM 358 CD ARG A 21 34.904 9.860 15.487 1.00 0.00 C ATOM 359 NE ARG A 21 33.801 10.851 15.338 1.00 0.00 N ATOM 360 CZ ARG A 21 33.279 11.589 16.316 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.681 11.558 17.569 1.00 0.00 N ATOM 362 NH2 ARG A 21 32.301 12.396 16.010 1.00 0.00 N ATOM 0 H ARG A 21 32.708 6.234 13.012 1.00 0.00 H new ATOM 0 HA ARG A 21 33.718 5.745 15.610 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.290 7.580 13.880 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.820 8.402 14.363 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.732 8.540 16.724 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.229 7.834 16.150 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.595 10.202 16.257 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.467 9.804 14.555 1.00 0.00 H new ATOM 0 HE ARG A 21 33.411 10.975 14.404 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.442 10.938 17.845 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.231 12.154 18.264 1.00 0.00 H new ATOM 0 HH21 ARG A 21 31.962 12.445 15.049 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.875 12.978 16.732 1.00 0.00 H new ATOM 376 N ALA A 22 30.647 6.969 15.850 1.00 0.00 N ATOM 377 CA ALA A 22 29.434 6.842 16.707 1.00 0.00 C ATOM 378 C ALA A 22 28.983 5.406 17.149 1.00 0.00 C ATOM 379 O ALA A 22 28.257 5.291 18.135 1.00 0.00 O ATOM 380 CB ALA A 22 28.298 7.557 15.952 1.00 0.00 C ATOM 0 H ALA A 22 30.467 7.423 14.954 1.00 0.00 H new ATOM 0 HA ALA A 22 29.693 7.290 17.666 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.379 7.496 16.535 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.564 8.603 15.801 1.00 0.00 H new ATOM 0 HB3 ALA A 22 28.146 7.078 14.985 1.00 0.00 H new ATOM 386 N LEU A 23 29.424 4.326 16.477 1.00 0.00 N ATOM 387 CA LEU A 23 29.345 2.933 17.012 1.00 0.00 C ATOM 388 C LEU A 23 30.613 2.446 17.808 1.00 0.00 C ATOM 389 O LEU A 23 30.750 1.245 18.056 1.00 0.00 O ATOM 390 CB LEU A 23 29.047 1.994 15.805 1.00 0.00 C ATOM 391 CG LEU A 23 27.693 2.174 15.070 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.667 1.315 13.799 1.00 0.00 C ATOM 393 CD2 LEU A 23 26.495 1.803 15.953 1.00 0.00 C ATOM 0 H LEU A 23 29.846 4.383 15.550 1.00 0.00 H new ATOM 0 HA LEU A 23 28.551 2.909 17.758 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.845 2.123 15.074 1.00 0.00 H new ATOM 0 HB3 LEU A 23 29.102 0.965 16.159 1.00 0.00 H new ATOM 0 HG LEU A 23 27.607 3.230 14.815 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.713 1.448 13.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.477 1.620 13.137 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.793 0.266 14.066 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.571 1.946 15.392 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.577 0.759 16.257 1.00 0.00 H new ATOM 0 HD23 LEU A 23 26.484 2.439 16.838 1.00 0.00 H new ATOM 405 N ASP A 24 31.522 3.353 18.229 1.00 0.00 N ATOM 406 CA ASP A 24 32.794 3.022 18.947 1.00 0.00 C ATOM 407 C ASP A 24 33.870 2.234 18.111 1.00 0.00 C ATOM 408 O ASP A 24 34.567 1.366 18.645 1.00 0.00 O ATOM 409 CB ASP A 24 32.518 2.423 20.362 1.00 0.00 C ATOM 410 CG ASP A 24 31.756 3.318 21.340 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.645 3.054 21.790 1.00 0.00 O ATOM 412 OD2 ASP A 24 32.456 4.439 21.667 1.00 0.00 O ATOM 0 H ASP A 24 31.400 4.355 18.082 1.00 0.00 H new ATOM 0 HA ASP A 24 33.289 3.981 19.098 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.957 1.497 20.238 1.00 0.00 H new ATOM 0 HB3 ASP A 24 33.474 2.159 20.814 1.00 0.00 H new ATOM 418 N VAL A 25 34.056 2.571 16.817 1.00 0.00 N ATOM 419 CA VAL A 25 35.016 1.851 15.919 1.00 0.00 C ATOM 420 C VAL A 25 36.359 2.653 15.795 1.00 0.00 C ATOM 421 O VAL A 25 36.386 3.882 15.671 1.00 0.00 O ATOM 422 CB VAL A 25 34.345 1.541 14.533 1.00 0.00 C ATOM 423 CG1 VAL A 25 35.256 0.803 13.526 1.00 0.00 C ATOM 424 CG2 VAL A 25 33.067 0.675 14.646 1.00 0.00 C ATOM 0 H VAL A 25 33.559 3.336 16.360 1.00 0.00 H new ATOM 0 HA VAL A 25 35.273 0.887 16.359 1.00 0.00 H new ATOM 0 HB VAL A 25 34.117 2.543 14.170 1.00 0.00 H new ATOM 0 HG11 VAL A 25 34.709 0.631 12.599 1.00 0.00 H new ATOM 0 HG12 VAL A 25 36.138 1.410 13.320 1.00 0.00 H new ATOM 0 HG13 VAL A 25 35.564 -0.154 13.948 1.00 0.00 H new ATOM 0 HG21 VAL A 25 32.657 0.500 13.651 1.00 0.00 H new ATOM 0 HG22 VAL A 25 33.314 -0.280 15.109 1.00 0.00 H new ATOM 0 HG23 VAL A 25 32.329 1.194 15.257 1.00 0.00 H new ATOM 434 N ASN A 26 37.486 1.921 15.777 1.00 0.00 N ATOM 435 CA ASN A 26 38.844 2.479 15.546 1.00 0.00 C ATOM 436 C ASN A 26 39.132 2.954 14.079 1.00 0.00 C ATOM 437 O ASN A 26 38.529 2.469 13.115 1.00 0.00 O ATOM 438 CB ASN A 26 39.854 1.395 16.036 1.00 0.00 C ATOM 439 CG ASN A 26 39.768 -0.001 15.386 1.00 0.00 C ATOM 440 OD1 ASN A 26 38.890 -0.804 15.679 1.00 0.00 O ATOM 441 ND2 ASN A 26 40.646 -0.322 14.477 1.00 0.00 N ATOM 0 H ASN A 26 37.487 0.912 15.924 1.00 0.00 H new ATOM 0 HA ASN A 26 38.944 3.407 16.109 1.00 0.00 H new ATOM 0 HB2 ASN A 26 40.862 1.778 15.878 1.00 0.00 H new ATOM 0 HB3 ASN A 26 39.723 1.274 17.111 1.00 0.00 H new ATOM 0 HD21 ASN A 26 40.597 -1.232 14.019 1.00 0.00 H new ATOM 0 HD22 ASN A 26 41.382 0.337 14.224 1.00 0.00 H new ATOM 448 N VAL A 27 40.102 3.877 13.915 1.00 0.00 N ATOM 449 CA VAL A 27 40.474 4.481 12.586 1.00 0.00 C ATOM 450 C VAL A 27 40.804 3.446 11.446 1.00 0.00 C ATOM 451 O VAL A 27 40.308 3.608 10.328 1.00 0.00 O ATOM 452 CB VAL A 27 41.597 5.571 12.767 1.00 0.00 C ATOM 453 CG1 VAL A 27 42.015 6.270 11.448 1.00 0.00 C ATOM 454 CG2 VAL A 27 41.227 6.714 13.745 1.00 0.00 C ATOM 0 H VAL A 27 40.659 4.235 14.691 1.00 0.00 H new ATOM 0 HA VAL A 27 39.571 4.971 12.221 1.00 0.00 H new ATOM 0 HB VAL A 27 42.416 4.974 13.169 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.791 7.006 11.657 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.398 5.527 10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 27 41.150 6.769 11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 27 42.055 7.419 13.810 1.00 0.00 H new ATOM 0 HG22 VAL A 27 40.339 7.230 13.382 1.00 0.00 H new ATOM 0 HG23 VAL A 27 41.026 6.298 14.732 1.00 0.00 H new ATOM 464 N ALA A 28 41.596 2.389 11.716 1.00 0.00 N ATOM 465 CA ALA A 28 41.860 1.304 10.729 1.00 0.00 C ATOM 466 C ALA A 28 40.609 0.504 10.234 1.00 0.00 C ATOM 467 O ALA A 28 40.424 0.378 9.022 1.00 0.00 O ATOM 468 CB ALA A 28 42.956 0.396 11.319 1.00 0.00 C ATOM 0 H ALA A 28 42.069 2.257 12.610 1.00 0.00 H new ATOM 0 HA ALA A 28 42.196 1.776 9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 28 43.175 -0.412 10.620 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.859 0.981 11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 28 42.610 -0.025 12.263 1.00 0.00 H new ATOM 474 N LEU A 29 39.732 0.014 11.134 1.00 0.00 N ATOM 475 CA LEU A 29 38.421 -0.586 10.741 1.00 0.00 C ATOM 476 C LEU A 29 37.384 0.402 10.091 1.00 0.00 C ATOM 477 O LEU A 29 36.716 0.013 9.129 1.00 0.00 O ATOM 478 CB LEU A 29 37.895 -1.395 11.960 1.00 0.00 C ATOM 479 CG LEU A 29 36.607 -2.243 11.764 1.00 0.00 C ATOM 480 CD1 LEU A 29 36.702 -3.247 10.600 1.00 0.00 C ATOM 481 CD2 LEU A 29 36.284 -3.016 13.056 1.00 0.00 C ATOM 0 H LEU A 29 39.899 0.018 12.140 1.00 0.00 H new ATOM 0 HA LEU A 29 38.581 -1.261 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 29 38.691 -2.065 12.286 1.00 0.00 H new ATOM 0 HB3 LEU A 29 37.714 -0.694 12.775 1.00 0.00 H new ATOM 0 HG LEU A 29 35.815 -1.535 11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 29 35.768 -3.804 10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.882 -2.709 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 29 37.523 -3.940 10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 29 35.380 -3.607 12.910 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.115 -3.678 13.302 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.128 -2.311 13.873 1.00 0.00 H new ATOM 493 N ARG A 30 37.300 1.675 10.534 1.00 0.00 N ATOM 494 CA ARG A 30 36.679 2.784 9.742 1.00 0.00 C ATOM 495 C ARG A 30 37.207 2.939 8.273 1.00 0.00 C ATOM 496 O ARG A 30 36.395 2.929 7.346 1.00 0.00 O ATOM 497 CB ARG A 30 36.829 4.109 10.545 1.00 0.00 C ATOM 498 CG ARG A 30 35.825 4.320 11.705 1.00 0.00 C ATOM 499 CD ARG A 30 36.291 5.283 12.811 1.00 0.00 C ATOM 500 NE ARG A 30 36.507 6.667 12.320 1.00 0.00 N ATOM 501 CZ ARG A 30 37.135 7.624 12.997 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.617 7.479 14.214 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.278 8.784 12.418 1.00 0.00 N ATOM 0 H ARG A 30 37.655 1.972 11.443 1.00 0.00 H new ATOM 0 HA ARG A 30 35.629 2.524 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.839 4.150 10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.732 4.944 9.851 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.889 4.695 11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.608 3.352 12.157 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.549 5.298 13.609 1.00 0.00 H new ATOM 0 HD3 ARG A 30 37.218 4.908 13.245 1.00 0.00 H new ATOM 0 HE ARG A 30 36.147 6.901 11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.519 6.587 14.698 1.00 0.00 H new ATOM 0 HH12 ARG A 30 38.088 8.259 14.672 1.00 0.00 H new ATOM 0 HH21 ARG A 30 36.913 8.933 11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.754 9.542 12.906 1.00 0.00 H new ATOM 517 N LYS A 31 38.534 3.037 8.053 1.00 0.00 N ATOM 518 CA LYS A 31 39.142 3.022 6.688 1.00 0.00 C ATOM 519 C LYS A 31 38.940 1.701 5.869 1.00 0.00 C ATOM 520 O LYS A 31 38.588 1.786 4.691 1.00 0.00 O ATOM 521 CB LYS A 31 40.642 3.429 6.772 1.00 0.00 C ATOM 522 CG LYS A 31 40.953 4.885 7.204 1.00 0.00 C ATOM 523 CD LYS A 31 40.536 5.959 6.177 1.00 0.00 C ATOM 524 CE LYS A 31 40.823 7.383 6.678 1.00 0.00 C ATOM 525 NZ LYS A 31 40.215 8.371 5.766 1.00 0.00 N ATOM 0 H LYS A 31 39.218 3.128 8.804 1.00 0.00 H new ATOM 0 HA LYS A 31 38.587 3.762 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 31 41.137 2.755 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 31 41.094 3.262 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.447 5.087 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 31 42.023 4.975 7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.069 5.791 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.472 5.859 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.424 7.511 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.899 7.546 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.498 9.329 6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.539 8.191 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.179 8.289 5.807 1.00 0.00 H new ATOM 538 N ILE A 32 39.095 0.499 6.466 1.00 0.00 N ATOM 539 CA ILE A 32 38.718 -0.804 5.819 1.00 0.00 C ATOM 540 C ILE A 32 37.215 -0.840 5.356 1.00 0.00 C ATOM 541 O ILE A 32 36.964 -1.061 4.170 1.00 0.00 O ATOM 542 CB ILE A 32 39.162 -2.019 6.722 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.710 -2.125 6.897 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.635 -3.390 6.216 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.173 -2.936 8.124 1.00 0.00 C ATOM 0 H ILE A 32 39.481 0.391 7.404 1.00 0.00 H new ATOM 0 HA ILE A 32 39.275 -0.901 4.887 1.00 0.00 H new ATOM 0 HB ILE A 32 38.707 -1.798 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.132 -2.579 6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 32 41.122 -1.119 6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.978 -4.180 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.545 -3.377 6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.012 -3.576 5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.262 -2.952 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.787 -2.473 9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.797 -3.956 8.049 1.00 0.00 H new ATOM 557 N ALA A 33 36.235 -0.588 6.245 1.00 0.00 N ATOM 558 CA ALA A 33 34.803 -0.466 5.856 1.00 0.00 C ATOM 559 C ALA A 33 34.431 0.656 4.829 1.00 0.00 C ATOM 560 O ALA A 33 33.696 0.379 3.880 1.00 0.00 O ATOM 561 CB ALA A 33 34.015 -0.363 7.172 1.00 0.00 C ATOM 0 H ALA A 33 36.403 -0.463 7.243 1.00 0.00 H new ATOM 0 HA ALA A 33 34.537 -1.349 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.951 -0.271 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.186 -1.258 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.348 0.513 7.728 1.00 0.00 H new ATOM 567 N ASN A 34 34.970 1.881 4.969 1.00 0.00 N ATOM 568 CA ASN A 34 34.911 2.938 3.915 1.00 0.00 C ATOM 569 C ASN A 34 35.433 2.564 2.487 1.00 0.00 C ATOM 570 O ASN A 34 34.822 2.986 1.501 1.00 0.00 O ATOM 571 CB ASN A 34 35.639 4.166 4.532 1.00 0.00 C ATOM 572 CG ASN A 34 35.809 5.449 3.709 1.00 0.00 C ATOM 573 OD1 ASN A 34 36.916 5.915 3.467 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.748 6.079 3.275 1.00 0.00 N ATOM 0 H ASN A 34 35.461 2.177 5.813 1.00 0.00 H new ATOM 0 HA ASN A 34 33.865 3.133 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 34 35.106 4.434 5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 34 36.635 3.837 4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.850 6.944 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 34 33.819 5.705 3.467 1.00 0.00 H new ATOM 581 N LEU A 35 36.539 1.809 2.381 1.00 0.00 N ATOM 582 CA LEU A 35 37.063 1.320 1.070 1.00 0.00 C ATOM 583 C LEU A 35 36.453 -0.029 0.541 1.00 0.00 C ATOM 584 O LEU A 35 36.626 -0.343 -0.640 1.00 0.00 O ATOM 585 CB LEU A 35 38.618 1.278 1.133 1.00 0.00 C ATOM 586 CG LEU A 35 39.376 2.599 1.466 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.894 2.354 1.470 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.035 3.764 0.518 1.00 0.00 C ATOM 0 H LEU A 35 37.097 1.517 3.183 1.00 0.00 H new ATOM 0 HA LEU A 35 36.728 2.038 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.901 0.534 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.981 0.919 0.170 1.00 0.00 H new ATOM 0 HG LEU A 35 39.040 2.900 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.412 3.284 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 41.139 1.603 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.208 2.001 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.600 4.649 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.296 3.489 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 35 37.968 3.979 0.575 1.00 0.00 H new ATOM 600 N LEU A 36 35.723 -0.806 1.365 1.00 0.00 N ATOM 601 CA LEU A 36 34.928 -1.976 0.902 1.00 0.00 C ATOM 602 C LEU A 36 33.564 -1.528 0.287 1.00 0.00 C ATOM 603 O LEU A 36 32.816 -0.754 0.894 1.00 0.00 O ATOM 604 CB LEU A 36 34.678 -2.929 2.109 1.00 0.00 C ATOM 605 CG LEU A 36 35.884 -3.781 2.588 1.00 0.00 C ATOM 606 CD1 LEU A 36 35.635 -4.303 4.011 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.167 -4.976 1.659 1.00 0.00 C ATOM 0 H LEU A 36 35.663 -0.646 2.371 1.00 0.00 H new ATOM 0 HA LEU A 36 35.489 -2.494 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.331 -2.329 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 36 33.867 -3.607 1.844 1.00 0.00 H new ATOM 0 HG LEU A 36 36.756 -3.127 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 36 36.488 -4.899 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.503 -3.460 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 36 34.737 -4.921 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.020 -5.539 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.291 -5.624 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.391 -4.612 0.656 1.00 0.00 H new ATOM 619 N LYS A 37 33.213 -2.076 -0.888 1.00 0.00 N ATOM 620 CA LYS A 37 31.866 -1.886 -1.494 1.00 0.00 C ATOM 621 C LYS A 37 30.987 -3.163 -1.242 1.00 0.00 C ATOM 622 O LYS A 37 31.062 -4.092 -2.058 1.00 0.00 O ATOM 623 CB LYS A 37 32.014 -1.551 -3.008 1.00 0.00 C ATOM 624 CG LYS A 37 32.559 -0.151 -3.380 1.00 0.00 C ATOM 625 CD LYS A 37 31.623 1.012 -2.979 1.00 0.00 C ATOM 626 CE LYS A 37 31.905 2.355 -3.672 1.00 0.00 C ATOM 627 NZ LYS A 37 31.482 2.322 -5.089 1.00 0.00 N ATOM 0 H LYS A 37 33.839 -2.657 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 37 31.356 -1.045 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.671 -2.297 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.036 -1.666 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.526 -0.009 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.730 -0.112 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.595 0.720 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.693 1.157 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.379 3.154 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.969 2.582 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.301 2.517 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.097 1.382 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 30.750 3.043 -5.250 1.00 0.00 H new ATOM 640 N PRO A 38 30.146 -3.286 -0.168 1.00 0.00 N ATOM 641 CA PRO A 38 29.274 -4.473 0.027 1.00 0.00 C ATOM 642 C PRO A 38 28.058 -4.559 -0.951 1.00 0.00 C ATOM 643 O PRO A 38 27.558 -3.557 -1.474 1.00 0.00 O ATOM 644 CB PRO A 38 28.863 -4.334 1.507 1.00 0.00 C ATOM 645 CG PRO A 38 28.889 -2.832 1.780 1.00 0.00 C ATOM 646 CD PRO A 38 30.085 -2.337 0.963 1.00 0.00 C ATOM 0 HA PRO A 38 29.787 -5.408 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 38 27.871 -4.751 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 38 29.553 -4.867 2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.963 -2.351 1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.014 -2.620 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.940 -1.312 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.004 -2.351 1.548 1.00 0.00 H new ATOM 654 N ASP A 39 27.594 -5.793 -1.176 1.00 0.00 N ATOM 655 CA ASP A 39 26.452 -6.081 -2.083 1.00 0.00 C ATOM 656 C ASP A 39 25.238 -6.592 -1.252 1.00 0.00 C ATOM 657 O ASP A 39 25.354 -7.543 -0.473 1.00 0.00 O ATOM 658 CB ASP A 39 26.878 -7.118 -3.151 1.00 0.00 C ATOM 659 CG ASP A 39 27.915 -6.624 -4.159 1.00 0.00 C ATOM 660 OD1 ASP A 39 27.635 -5.998 -5.177 1.00 0.00 O ATOM 661 OD2 ASP A 39 29.186 -6.951 -3.797 1.00 0.00 O ATOM 0 H ASP A 39 27.991 -6.626 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 39 26.153 -5.168 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.278 -7.996 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.991 -7.441 -3.695 1.00 0.00 H new ATOM 667 N LYS A 40 24.064 -5.971 -1.429 1.00 0.00 N ATOM 668 CA LYS A 40 22.820 -6.393 -0.734 1.00 0.00 C ATOM 669 C LYS A 40 21.998 -7.342 -1.652 1.00 0.00 C ATOM 670 O LYS A 40 21.427 -6.909 -2.653 1.00 0.00 O ATOM 671 CB LYS A 40 22.021 -5.144 -0.261 1.00 0.00 C ATOM 672 CG LYS A 40 22.486 -4.597 1.108 1.00 0.00 C ATOM 673 CD LYS A 40 21.673 -3.375 1.586 1.00 0.00 C ATOM 674 CE LYS A 40 21.888 -3.016 3.068 1.00 0.00 C ATOM 675 NZ LYS A 40 23.240 -2.483 3.336 1.00 0.00 N ATOM 0 H LYS A 40 23.940 -5.170 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 40 23.064 -6.960 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.116 -4.357 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 40 20.963 -5.400 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.410 -5.389 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.539 -4.321 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.938 -2.514 0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.613 -3.570 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.145 -2.278 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.724 -3.903 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.175 -1.697 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 23.837 -3.236 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.660 -2.141 2.449 1.00 0.00 H new ATOM 688 N GLU A 41 21.918 -8.636 -1.307 1.00 0.00 N ATOM 689 CA GLU A 41 20.943 -9.572 -1.932 1.00 0.00 C ATOM 690 C GLU A 41 19.676 -9.656 -1.028 1.00 0.00 C ATOM 691 O GLU A 41 19.694 -10.266 0.046 1.00 0.00 O ATOM 692 CB GLU A 41 21.630 -10.928 -2.219 1.00 0.00 C ATOM 693 CG GLU A 41 20.757 -11.925 -3.025 1.00 0.00 C ATOM 694 CD GLU A 41 21.424 -13.286 -3.230 1.00 0.00 C ATOM 695 OE1 GLU A 41 21.879 -13.972 -2.320 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.454 -13.658 -4.540 1.00 0.00 O ATOM 0 H GLU A 41 22.513 -9.068 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 41 20.602 -9.212 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.554 -10.745 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.908 -11.390 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.809 -12.068 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.527 -11.491 -3.998 1.00 0.00 H new ATOM 704 N ILE A 42 18.584 -9.003 -1.456 1.00 0.00 N ATOM 705 CA ILE A 42 17.344 -8.886 -0.635 1.00 0.00 C ATOM 706 C ILE A 42 16.333 -9.973 -1.121 1.00 0.00 C ATOM 707 O ILE A 42 15.878 -9.949 -2.269 1.00 0.00 O ATOM 708 CB ILE A 42 16.772 -7.422 -0.630 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.794 -6.371 -0.097 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.464 -7.343 0.207 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.412 -4.894 -0.292 1.00 0.00 C ATOM 0 H ILE A 42 18.524 -8.544 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 42 17.564 -9.078 0.415 1.00 0.00 H new ATOM 0 HB ILE A 42 16.561 -7.176 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.944 -6.548 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.752 -6.545 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.086 -6.321 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.717 -8.010 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.671 -7.643 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.197 -4.258 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.294 -4.686 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.474 -4.690 0.224 1.00 0.00 H new ATOM 723 N VAL A 43 15.966 -10.899 -0.219 1.00 0.00 N ATOM 724 CA VAL A 43 14.955 -11.961 -0.503 1.00 0.00 C ATOM 725 C VAL A 43 13.676 -11.623 0.337 1.00 0.00 C ATOM 726 O VAL A 43 13.591 -11.972 1.517 1.00 0.00 O ATOM 727 CB VAL A 43 15.554 -13.389 -0.240 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.539 -14.529 -0.496 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.813 -13.712 -1.081 1.00 0.00 C ATOM 0 H VAL A 43 16.352 -10.943 0.724 1.00 0.00 H new ATOM 0 HA VAL A 43 14.670 -11.982 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 43 15.824 -13.346 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.013 -15.490 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.679 -14.405 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.209 -14.496 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.164 -14.715 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.566 -13.659 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.597 -12.989 -0.855 1.00 0.00 H new ATOM 739 N GLN A 44 12.689 -10.943 -0.278 1.00 0.00 N ATOM 740 CA GLN A 44 11.397 -10.590 0.379 1.00 0.00 C ATOM 741 C GLN A 44 10.285 -11.635 0.032 1.00 0.00 C ATOM 742 O GLN A 44 9.858 -11.740 -1.123 1.00 0.00 O ATOM 743 CB GLN A 44 11.036 -9.145 -0.065 1.00 0.00 C ATOM 744 CG GLN A 44 9.808 -8.524 0.652 1.00 0.00 C ATOM 745 CD GLN A 44 9.476 -7.093 0.211 1.00 0.00 C ATOM 746 OE1 GLN A 44 10.340 -6.256 -0.033 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.218 -6.746 0.096 1.00 0.00 N ATOM 0 H GLN A 44 12.756 -10.619 -1.243 1.00 0.00 H new ATOM 0 HA GLN A 44 11.485 -10.619 1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.900 -8.503 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.847 -9.148 -1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.939 -9.157 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.989 -8.528 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.482 -7.424 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.975 -5.798 -0.191 1.00 0.00 H new ATOM 756 N ASP A 45 9.805 -12.394 1.033 1.00 0.00 N ATOM 757 CA ASP A 45 8.774 -13.449 0.839 1.00 0.00 C ATOM 758 C ASP A 45 7.646 -13.300 1.915 1.00 0.00 C ATOM 759 O ASP A 45 7.760 -13.830 3.024 1.00 0.00 O ATOM 760 CB ASP A 45 9.517 -14.816 0.871 1.00 0.00 C ATOM 761 CG ASP A 45 8.673 -16.003 0.416 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.061 -16.735 1.188 1.00 0.00 O ATOM 763 OD2 ASP A 45 8.675 -16.144 -0.943 1.00 0.00 O ATOM 0 H ASP A 45 10.115 -12.300 2.000 1.00 0.00 H new ATOM 0 HA ASP A 45 8.260 -13.364 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.401 -14.750 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.866 -15.002 1.887 1.00 0.00 H new ATOM 769 N GLY A 46 6.557 -12.570 1.589 1.00 0.00 N ATOM 770 CA GLY A 46 5.336 -12.490 2.452 1.00 0.00 C ATOM 771 C GLY A 46 5.503 -12.077 3.934 1.00 0.00 C ATOM 772 O GLY A 46 5.259 -12.886 4.828 1.00 0.00 O ATOM 0 H GLY A 46 6.489 -12.021 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.648 -11.784 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.852 -13.467 2.433 1.00 0.00 H new ATOM 776 N ASP A 47 5.965 -10.846 4.190 1.00 0.00 N ATOM 777 CA ASP A 47 6.496 -10.410 5.524 1.00 0.00 C ATOM 778 C ASP A 47 7.939 -10.884 5.914 1.00 0.00 C ATOM 779 O ASP A 47 8.632 -10.136 6.603 1.00 0.00 O ATOM 780 CB ASP A 47 5.454 -10.409 6.692 1.00 0.00 C ATOM 781 CG ASP A 47 5.499 -11.500 7.773 1.00 0.00 C ATOM 782 OD1 ASP A 47 5.552 -11.242 8.971 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.486 -12.769 7.270 1.00 0.00 O ATOM 0 H ASP A 47 5.989 -10.108 3.486 1.00 0.00 H new ATOM 0 HA ASP A 47 6.674 -9.351 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.540 -9.448 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.463 -10.444 6.240 1.00 0.00 H new ATOM 789 N HIS A 48 8.397 -12.090 5.533 1.00 0.00 N ATOM 790 CA HIS A 48 9.769 -12.571 5.848 1.00 0.00 C ATOM 791 C HIS A 48 10.803 -12.012 4.824 1.00 0.00 C ATOM 792 O HIS A 48 10.807 -12.396 3.651 1.00 0.00 O ATOM 793 CB HIS A 48 9.751 -14.121 5.944 1.00 0.00 C ATOM 794 CG HIS A 48 11.032 -14.771 6.481 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.591 -15.913 5.926 1.00 0.00 N ATOM 796 CD2 HIS A 48 11.781 -14.353 7.600 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.655 -16.077 6.777 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.859 -15.193 7.803 1.00 0.00 N ATOM 0 H HIS A 48 7.838 -12.759 5.003 1.00 0.00 H new ATOM 0 HA HIS A 48 10.094 -12.191 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.920 -14.417 6.584 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.549 -14.525 4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.545 -13.496 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.333 -16.906 6.637 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.593 -15.163 8.511 1.00 0.00 H new ATOM 806 N MET A 49 11.656 -11.078 5.273 1.00 0.00 N ATOM 807 CA MET A 49 12.647 -10.401 4.403 1.00 0.00 C ATOM 808 C MET A 49 14.094 -10.631 4.927 1.00 0.00 C ATOM 809 O MET A 49 14.424 -10.361 6.087 1.00 0.00 O ATOM 810 CB MET A 49 12.205 -8.927 4.226 1.00 0.00 C ATOM 811 CG MET A 49 13.091 -8.069 3.293 1.00 0.00 C ATOM 812 SD MET A 49 12.194 -6.736 2.450 1.00 0.00 S ATOM 813 CE MET A 49 11.086 -6.052 3.697 1.00 0.00 C ATOM 0 H MET A 49 11.683 -10.768 6.244 1.00 0.00 H new ATOM 0 HA MET A 49 12.677 -10.830 3.402 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.186 -8.916 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.179 -8.454 5.208 1.00 0.00 H new ATOM 0 HG2 MET A 49 13.903 -7.635 3.877 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.547 -8.717 2.545 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.666 -5.113 3.335 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.279 -6.758 3.894 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.642 -5.870 4.617 1.00 0.00 H new ATOM 823 N ILE A 50 14.949 -11.155 4.033 1.00 0.00 N ATOM 824 CA ILE A 50 16.366 -11.470 4.346 1.00 0.00 C ATOM 825 C ILE A 50 17.234 -10.439 3.560 1.00 0.00 C ATOM 826 O ILE A 50 17.418 -10.575 2.346 1.00 0.00 O ATOM 827 CB ILE A 50 16.738 -12.970 4.045 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.811 -14.058 4.677 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.189 -13.257 4.507 1.00 0.00 C ATOM 830 CD1 ILE A 50 14.556 -14.405 3.852 1.00 0.00 C ATOM 0 H ILE A 50 14.685 -11.374 3.073 1.00 0.00 H new ATOM 0 HA ILE A 50 16.557 -11.376 5.415 1.00 0.00 H new ATOM 0 HB ILE A 50 16.609 -13.056 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.393 -14.968 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.496 -13.717 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.439 -14.297 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 50 18.877 -12.602 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.273 -13.074 5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.978 -15.168 4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.945 -13.511 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.856 -14.781 2.874 1.00 0.00 H new ATOM 842 N ILE A 51 17.790 -9.429 4.256 1.00 0.00 N ATOM 843 CA ILE A 51 18.736 -8.448 3.640 1.00 0.00 C ATOM 844 C ILE A 51 20.178 -9.038 3.797 1.00 0.00 C ATOM 845 O ILE A 51 20.817 -8.874 4.843 1.00 0.00 O ATOM 846 CB ILE A 51 18.552 -7.002 4.237 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.117 -6.420 4.036 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.591 -5.997 3.663 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.796 -5.149 4.843 1.00 0.00 C ATOM 0 H ILE A 51 17.607 -9.262 5.245 1.00 0.00 H new ATOM 0 HA ILE A 51 18.532 -8.311 2.578 1.00 0.00 H new ATOM 0 HB ILE A 51 18.716 -7.125 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.978 -6.201 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.392 -7.190 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.427 -5.013 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.598 -6.338 3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.477 -5.935 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.776 -4.830 4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.895 -5.360 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.490 -4.356 4.564 1.00 0.00 H new ATOM 861 N ARG A 52 20.690 -9.721 2.756 1.00 0.00 N ATOM 862 CA ARG A 52 22.038 -10.352 2.794 1.00 0.00 C ATOM 863 C ARG A 52 23.128 -9.306 2.413 1.00 0.00 C ATOM 864 O ARG A 52 23.359 -9.049 1.230 1.00 0.00 O ATOM 865 CB ARG A 52 22.104 -11.596 1.865 1.00 0.00 C ATOM 866 CG ARG A 52 21.127 -12.751 2.178 1.00 0.00 C ATOM 867 CD ARG A 52 21.220 -13.906 1.170 1.00 0.00 C ATOM 868 NE ARG A 52 20.207 -14.933 1.521 1.00 0.00 N ATOM 869 CZ ARG A 52 19.660 -15.801 0.673 1.00 0.00 C ATOM 870 NH1 ARG A 52 19.979 -15.904 -0.599 1.00 0.00 N ATOM 871 NH2 ARG A 52 18.741 -16.603 1.137 1.00 0.00 N ATOM 0 H ARG A 52 20.196 -9.854 1.874 1.00 0.00 H new ATOM 0 HA ARG A 52 22.229 -10.697 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 52 21.924 -11.266 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.119 -11.991 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.332 -13.132 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.108 -12.365 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.049 -13.538 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.219 -14.341 1.186 1.00 0.00 H new ATOM 0 HE ARG A 52 19.905 -14.977 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.691 -15.292 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.514 -16.596 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.466 -16.550 2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.298 -17.282 0.519 1.00 0.00 H new ATOM 885 N THR A 53 23.777 -8.694 3.418 1.00 0.00 N ATOM 886 CA THR A 53 24.826 -7.655 3.189 1.00 0.00 C ATOM 887 C THR A 53 26.223 -8.347 3.076 1.00 0.00 C ATOM 888 O THR A 53 26.828 -8.759 4.073 1.00 0.00 O ATOM 889 CB THR A 53 24.733 -6.565 4.297 1.00 0.00 C ATOM 890 OG1 THR A 53 23.417 -6.023 4.344 1.00 0.00 O ATOM 891 CG2 THR A 53 25.677 -5.371 4.088 1.00 0.00 C ATOM 0 H THR A 53 23.601 -8.893 4.403 1.00 0.00 H new ATOM 0 HA THR A 53 24.669 -7.133 2.245 1.00 0.00 H new ATOM 0 HB THR A 53 25.015 -7.081 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.369 -5.340 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.549 -4.659 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.709 -5.722 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.444 -4.884 3.141 1.00 0.00 H new ATOM 899 N LEU A 54 26.686 -8.494 1.827 1.00 0.00 N ATOM 900 CA LEU A 54 27.798 -9.406 1.456 1.00 0.00 C ATOM 901 C LEU A 54 29.107 -8.589 1.233 1.00 0.00 C ATOM 902 O LEU A 54 29.154 -7.706 0.370 1.00 0.00 O ATOM 903 CB LEU A 54 27.391 -10.143 0.143 1.00 0.00 C ATOM 904 CG LEU A 54 26.126 -11.050 0.179 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.534 -11.223 -1.230 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.422 -12.421 0.802 1.00 0.00 C ATOM 0 H LEU A 54 26.302 -7.983 1.033 1.00 0.00 H new ATOM 0 HA LEU A 54 27.982 -10.127 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.241 -9.390 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.235 -10.758 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 54 25.392 -10.549 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.651 -11.861 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.254 -10.248 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.276 -11.683 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.513 -13.022 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.189 -12.929 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.775 -12.287 1.825 1.00 0.00 H new ATOM 918 N SER A 55 30.170 -8.886 1.996 1.00 0.00 N ATOM 919 CA SER A 55 31.469 -8.158 1.900 1.00 0.00 C ATOM 920 C SER A 55 32.681 -9.138 1.936 1.00 0.00 C ATOM 921 O SER A 55 32.667 -10.141 2.661 1.00 0.00 O ATOM 922 CB SER A 55 31.541 -7.143 3.068 1.00 0.00 C ATOM 923 OG SER A 55 32.619 -6.223 2.884 1.00 0.00 O ATOM 0 H SER A 55 30.166 -9.629 2.695 1.00 0.00 H new ATOM 0 HA SER A 55 31.522 -7.635 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.600 -6.597 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.670 -7.676 4.010 1.00 0.00 H new ATOM 0 HG SER A 55 32.642 -5.592 3.633 1.00 0.00 H new ATOM 929 N THR A 56 33.776 -8.814 1.217 1.00 0.00 N ATOM 930 CA THR A 56 35.064 -9.583 1.304 1.00 0.00 C ATOM 931 C THR A 56 35.931 -9.264 2.585 1.00 0.00 C ATOM 932 O THR A 56 37.106 -8.895 2.520 1.00 0.00 O ATOM 933 CB THR A 56 35.795 -9.490 -0.076 1.00 0.00 C ATOM 934 OG1 THR A 56 36.896 -10.395 -0.110 1.00 0.00 O ATOM 935 CG2 THR A 56 36.351 -8.113 -0.483 1.00 0.00 C ATOM 0 H THR A 56 33.808 -8.029 0.567 1.00 0.00 H new ATOM 0 HA THR A 56 34.847 -10.637 1.480 1.00 0.00 H new ATOM 0 HB THR A 56 35.001 -9.728 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.346 -10.330 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 56 36.832 -8.189 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.535 -7.392 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.080 -7.782 0.256 1.00 0.00 H new ATOM 943 N PHE A 57 35.315 -9.438 3.770 1.00 0.00 N ATOM 944 CA PHE A 57 35.913 -9.141 5.103 1.00 0.00 C ATOM 945 C PHE A 57 34.985 -9.747 6.211 1.00 0.00 C ATOM 946 O PHE A 57 35.383 -10.701 6.882 1.00 0.00 O ATOM 947 CB PHE A 57 36.212 -7.619 5.280 1.00 0.00 C ATOM 948 CG PHE A 57 36.977 -7.236 6.556 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.370 -7.351 6.603 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.287 -6.778 7.683 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.063 -7.017 7.765 1.00 0.00 C ATOM 952 CE2 PHE A 57 36.981 -6.450 8.845 1.00 0.00 C ATOM 953 CZ PHE A 57 38.369 -6.564 8.884 1.00 0.00 C ATOM 0 H PHE A 57 34.363 -9.798 3.838 1.00 0.00 H new ATOM 0 HA PHE A 57 36.890 -9.615 5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 57 36.785 -7.277 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.266 -7.078 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 57 38.911 -7.700 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.212 -6.678 7.652 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.139 -7.110 7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.443 -6.107 9.716 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.907 -6.301 9.783 1.00 0.00 H new ATOM 963 N ARG A 58 33.758 -9.209 6.398 1.00 0.00 N ATOM 964 CA ARG A 58 32.738 -9.794 7.309 1.00 0.00 C ATOM 965 C ARG A 58 31.338 -9.769 6.611 1.00 0.00 C ATOM 966 O ARG A 58 30.841 -8.708 6.218 1.00 0.00 O ATOM 967 CB ARG A 58 32.735 -9.020 8.659 1.00 0.00 C ATOM 968 CG ARG A 58 31.924 -9.728 9.773 1.00 0.00 C ATOM 969 CD ARG A 58 31.685 -8.868 11.030 1.00 0.00 C ATOM 970 NE ARG A 58 30.968 -9.654 12.074 1.00 0.00 N ATOM 971 CZ ARG A 58 29.659 -9.915 12.088 1.00 0.00 C ATOM 972 NH1 ARG A 58 28.791 -9.422 11.231 1.00 0.00 N ATOM 973 NH2 ARG A 58 29.213 -10.726 13.006 1.00 0.00 N ATOM 0 H ARG A 58 33.445 -8.361 5.926 1.00 0.00 H new ATOM 0 HA ARG A 58 32.980 -10.834 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 58 33.763 -8.889 8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.323 -8.024 8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 58 30.959 -10.032 9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.448 -10.638 10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.639 -8.516 11.423 1.00 0.00 H new ATOM 0 HD3 ARG A 58 31.103 -7.985 10.768 1.00 0.00 H new ATOM 0 HE ARG A 58 31.525 -10.024 12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 58 29.105 -8.793 10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 58 27.804 -9.668 11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 58 29.858 -11.136 13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 58 28.219 -10.950 13.049 1.00 0.00 H new ATOM 987 N ASN A 59 30.683 -10.937 6.510 1.00 0.00 N ATOM 988 CA ASN A 59 29.268 -11.035 6.052 1.00 0.00 C ATOM 989 C ASN A 59 28.276 -10.816 7.242 1.00 0.00 C ATOM 990 O ASN A 59 28.419 -11.428 8.305 1.00 0.00 O ATOM 991 CB ASN A 59 29.114 -12.425 5.383 1.00 0.00 C ATOM 992 CG ASN A 59 27.845 -12.659 4.561 1.00 0.00 C ATOM 993 OD1 ASN A 59 27.023 -11.783 4.315 1.00 0.00 O ATOM 994 ND2 ASN A 59 27.672 -13.862 4.072 1.00 0.00 N ATOM 0 H ASN A 59 31.105 -11.837 6.738 1.00 0.00 H new ATOM 0 HA ASN A 59 29.024 -10.254 5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.974 -12.586 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 59 29.158 -13.184 6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 59 26.858 -14.064 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 59 28.351 -14.596 4.272 1.00 0.00 H new ATOM 1001 N TYR A 60 27.282 -9.935 7.050 1.00 0.00 N ATOM 1002 CA TYR A 60 26.324 -9.547 8.132 1.00 0.00 C ATOM 1003 C TYR A 60 24.997 -10.374 8.076 1.00 0.00 C ATOM 1004 O TYR A 60 24.816 -11.266 8.906 1.00 0.00 O ATOM 1005 CB TYR A 60 26.214 -7.990 8.129 1.00 0.00 C ATOM 1006 CG TYR A 60 25.232 -7.313 9.113 1.00 0.00 C ATOM 1007 CD1 TYR A 60 25.214 -7.648 10.473 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.379 -6.302 8.652 1.00 0.00 C ATOM 1009 CE1 TYR A 60 24.346 -6.995 11.348 1.00 0.00 C ATOM 1010 CE2 TYR A 60 23.526 -5.639 9.535 1.00 0.00 C ATOM 1011 CZ TYR A 60 23.509 -5.990 10.882 1.00 0.00 C ATOM 1012 OH TYR A 60 22.670 -5.342 11.752 1.00 0.00 O ATOM 0 H TYR A 60 27.109 -9.470 6.159 1.00 0.00 H new ATOM 0 HA TYR A 60 26.687 -9.820 9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.208 -7.588 8.325 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.938 -7.680 7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 60 25.876 -8.416 10.846 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.382 -6.034 7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 60 24.325 -7.272 12.392 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.879 -4.854 9.173 1.00 0.00 H new ATOM 0 HH TYR A 60 22.967 -5.501 12.672 1.00 0.00 H new ATOM 1022 N ILE A 61 24.089 -10.086 7.121 1.00 0.00 N ATOM 1023 CA ILE A 61 22.796 -10.825 6.934 1.00 0.00 C ATOM 1024 C ILE A 61 21.740 -10.448 8.037 1.00 0.00 C ATOM 1025 O ILE A 61 21.841 -10.888 9.186 1.00 0.00 O ATOM 1026 CB ILE A 61 22.907 -12.376 6.641 1.00 0.00 C ATOM 1027 CG1 ILE A 61 23.909 -12.716 5.492 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.517 -13.003 6.340 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.192 -14.203 5.221 1.00 0.00 C ATOM 0 H ILE A 61 24.221 -9.332 6.447 1.00 0.00 H new ATOM 0 HA ILE A 61 22.410 -10.457 5.983 1.00 0.00 H new ATOM 0 HB ILE A 61 23.304 -12.817 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.530 -12.271 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.857 -12.227 5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.633 -14.069 6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.860 -12.862 7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.081 -12.519 5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.903 -14.294 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.611 -14.663 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.263 -14.707 4.954 1.00 0.00 H new ATOM 1041 N MET A 62 20.684 -9.701 7.660 1.00 0.00 N ATOM 1042 CA MET A 62 19.519 -9.439 8.551 1.00 0.00 C ATOM 1043 C MET A 62 18.306 -10.303 8.089 1.00 0.00 C ATOM 1044 O MET A 62 17.591 -9.942 7.149 1.00 0.00 O ATOM 1045 CB MET A 62 19.184 -7.923 8.576 1.00 0.00 C ATOM 1046 CG MET A 62 20.212 -7.038 9.303 1.00 0.00 C ATOM 1047 SD MET A 62 19.652 -5.323 9.375 1.00 0.00 S ATOM 1048 CE MET A 62 18.486 -5.380 10.753 1.00 0.00 C ATOM 0 H MET A 62 20.607 -9.263 6.742 1.00 0.00 H new ATOM 0 HA MET A 62 19.765 -9.726 9.573 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.087 -7.571 7.549 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.212 -7.789 9.051 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.372 -7.415 10.313 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.171 -7.090 8.788 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.490 -5.116 10.398 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.467 -6.386 11.172 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.796 -4.672 11.522 1.00 0.00 H new ATOM 1058 N ASP A 63 18.075 -11.442 8.765 1.00 0.00 N ATOM 1059 CA ASP A 63 16.928 -12.347 8.502 1.00 0.00 C ATOM 1060 C ASP A 63 15.741 -12.083 9.480 1.00 0.00 C ATOM 1061 O ASP A 63 15.848 -12.409 10.667 1.00 0.00 O ATOM 1062 CB ASP A 63 17.452 -13.812 8.544 1.00 0.00 C ATOM 1063 CG ASP A 63 18.262 -14.353 9.737 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.282 -15.019 9.590 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.727 -14.027 10.952 1.00 0.00 O ATOM 0 H ASP A 63 18.681 -11.769 9.517 1.00 0.00 H new ATOM 0 HA ASP A 63 16.513 -12.154 7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.583 -14.460 8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.068 -13.951 7.656 1.00 0.00 H new ATOM 1071 N PHE A 64 14.625 -11.500 9.009 1.00 0.00 N ATOM 1072 CA PHE A 64 13.555 -10.981 9.917 1.00 0.00 C ATOM 1073 C PHE A 64 12.129 -11.072 9.296 1.00 0.00 C ATOM 1074 O PHE A 64 11.943 -10.944 8.082 1.00 0.00 O ATOM 1075 CB PHE A 64 13.880 -9.519 10.370 1.00 0.00 C ATOM 1076 CG PHE A 64 14.004 -8.461 9.253 1.00 0.00 C ATOM 1077 CD1 PHE A 64 12.868 -7.875 8.687 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.256 -8.209 8.689 1.00 0.00 C ATOM 1079 CE1 PHE A 64 12.981 -7.092 7.543 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.370 -7.423 7.548 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.231 -6.863 6.975 1.00 0.00 C ATOM 0 H PHE A 64 14.429 -11.371 8.016 1.00 0.00 H new ATOM 0 HA PHE A 64 13.546 -11.629 10.794 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.102 -9.195 11.061 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.816 -9.536 10.929 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.900 -8.031 9.139 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.142 -8.628 9.142 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.098 -6.661 7.095 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.340 -7.247 7.107 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.318 -6.251 6.090 1.00 0.00 H new ATOM 1091 N GLN A 65 11.101 -11.198 10.149 1.00 0.00 N ATOM 1092 CA GLN A 65 9.699 -10.890 9.750 1.00 0.00 C ATOM 1093 C GLN A 65 9.362 -9.392 10.023 1.00 0.00 C ATOM 1094 O GLN A 65 9.669 -8.847 11.089 1.00 0.00 O ATOM 1095 CB GLN A 65 8.699 -11.854 10.438 1.00 0.00 C ATOM 1096 CG GLN A 65 8.830 -13.327 9.977 1.00 0.00 C ATOM 1097 CD GLN A 65 7.751 -14.259 10.522 1.00 0.00 C ATOM 1098 OE1 GLN A 65 7.864 -14.822 11.605 1.00 0.00 O ATOM 1099 NE2 GLN A 65 6.680 -14.461 9.792 1.00 0.00 N ATOM 0 H GLN A 65 11.202 -11.508 11.115 1.00 0.00 H new ATOM 0 HA GLN A 65 9.602 -11.050 8.676 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.847 -11.807 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.684 -11.510 10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.802 -13.357 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.806 -13.704 10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.582 -13.994 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.945 -15.085 10.126 1.00 0.00 H new ATOM 1108 N VAL A 66 8.709 -8.721 9.059 1.00 0.00 N ATOM 1109 CA VAL A 66 8.306 -7.288 9.194 1.00 0.00 C ATOM 1110 C VAL A 66 7.161 -7.169 10.263 1.00 0.00 C ATOM 1111 O VAL A 66 6.043 -7.649 10.052 1.00 0.00 O ATOM 1112 CB VAL A 66 7.921 -6.674 7.804 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.616 -5.165 7.925 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.000 -6.802 6.700 1.00 0.00 C ATOM 0 H VAL A 66 8.442 -9.141 8.168 1.00 0.00 H new ATOM 0 HA VAL A 66 9.151 -6.699 9.550 1.00 0.00 H new ATOM 0 HB VAL A 66 7.051 -7.261 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.352 -4.767 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.784 -5.016 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.496 -4.645 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.635 -6.346 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.910 -6.294 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.216 -7.856 6.522 1.00 0.00 H new ATOM 1124 N GLY A 67 7.485 -6.585 11.428 1.00 0.00 N ATOM 1125 CA GLY A 67 6.663 -6.738 12.657 1.00 0.00 C ATOM 1126 C GLY A 67 7.424 -7.187 13.928 1.00 0.00 C ATOM 1127 O GLY A 67 7.229 -6.573 14.979 1.00 0.00 O ATOM 0 H GLY A 67 8.311 -6.000 11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.176 -5.785 12.866 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.874 -7.462 12.455 1.00 0.00 H new ATOM 1131 N LYS A 68 8.234 -8.266 13.879 1.00 0.00 N ATOM 1132 CA LYS A 68 8.888 -8.840 15.083 1.00 0.00 C ATOM 1133 C LYS A 68 10.030 -7.966 15.703 1.00 0.00 C ATOM 1134 O LYS A 68 10.866 -7.404 14.988 1.00 0.00 O ATOM 1135 CB LYS A 68 9.349 -10.293 14.774 1.00 0.00 C ATOM 1136 CG LYS A 68 10.537 -10.521 13.799 1.00 0.00 C ATOM 1137 CD LYS A 68 11.349 -11.812 14.037 1.00 0.00 C ATOM 1138 CE LYS A 68 10.608 -13.109 13.676 1.00 0.00 C ATOM 1139 NZ LYS A 68 11.491 -14.271 13.889 1.00 0.00 N ATOM 0 H LYS A 68 8.454 -8.762 13.015 1.00 0.00 H new ATOM 0 HA LYS A 68 8.135 -8.853 15.871 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.608 -10.763 15.722 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.490 -10.832 14.375 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.151 -10.537 12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.212 -9.669 13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.269 -11.760 13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.639 -11.855 15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.711 -13.207 14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.283 -13.075 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.982 -15.144 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.335 -14.181 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.780 -14.309 14.887 1.00 0.00 H new ATOM 1152 N GLU A 69 10.073 -7.897 17.046 1.00 0.00 N ATOM 1153 CA GLU A 69 11.154 -7.198 17.789 1.00 0.00 C ATOM 1154 C GLU A 69 12.232 -8.228 18.268 1.00 0.00 C ATOM 1155 O GLU A 69 12.055 -8.902 19.288 1.00 0.00 O ATOM 1156 CB GLU A 69 10.476 -6.383 18.921 1.00 0.00 C ATOM 1157 CG GLU A 69 11.453 -5.435 19.654 1.00 0.00 C ATOM 1158 CD GLU A 69 10.823 -4.506 20.686 1.00 0.00 C ATOM 1159 OE1 GLU A 69 11.080 -4.544 21.885 1.00 0.00 O ATOM 1160 OE2 GLU A 69 9.968 -3.605 20.124 1.00 0.00 O ATOM 0 H GLU A 69 9.367 -8.319 17.650 1.00 0.00 H new ATOM 0 HA GLU A 69 11.708 -6.497 17.165 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.659 -5.798 18.500 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.036 -7.071 19.643 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.212 -6.039 20.151 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.967 -4.826 18.910 1.00 0.00 H new ATOM 1168 N PHE A 70 13.334 -8.367 17.511 1.00 0.00 N ATOM 1169 CA PHE A 70 14.346 -9.444 17.725 1.00 0.00 C ATOM 1170 C PHE A 70 15.651 -8.932 18.418 1.00 0.00 C ATOM 1171 O PHE A 70 16.256 -7.952 17.974 1.00 0.00 O ATOM 1172 CB PHE A 70 14.609 -10.184 16.377 1.00 0.00 C ATOM 1173 CG PHE A 70 15.298 -9.416 15.225 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.535 -8.685 14.308 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.691 -9.447 15.086 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.157 -7.983 13.279 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.310 -8.753 14.049 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.542 -8.026 13.142 1.00 0.00 C ATOM 0 H PHE A 70 13.558 -7.745 16.734 1.00 0.00 H new ATOM 0 HA PHE A 70 13.938 -10.165 18.433 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.215 -11.063 16.596 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.649 -10.544 16.006 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.459 -8.665 14.399 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.288 -10.012 15.786 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.564 -7.404 12.586 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.385 -8.778 13.948 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.021 -7.496 12.332 1.00 0.00 H new ATOM 1188 N GLU A 71 16.126 -9.609 19.482 1.00 0.00 N ATOM 1189 CA GLU A 71 17.413 -9.256 20.152 1.00 0.00 C ATOM 1190 C GLU A 71 18.678 -9.560 19.277 1.00 0.00 C ATOM 1191 O GLU A 71 19.009 -10.720 19.015 1.00 0.00 O ATOM 1192 CB GLU A 71 17.468 -9.878 21.577 1.00 0.00 C ATOM 1193 CG GLU A 71 17.459 -11.427 21.711 1.00 0.00 C ATOM 1194 CD GLU A 71 17.621 -11.910 23.153 1.00 0.00 C ATOM 1195 OE1 GLU A 71 16.753 -11.759 24.009 1.00 0.00 O ATOM 1196 OE2 GLU A 71 18.824 -12.523 23.375 1.00 0.00 O ATOM 0 H GLU A 71 15.645 -10.404 19.903 1.00 0.00 H new ATOM 0 HA GLU A 71 17.439 -8.173 20.271 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.369 -9.508 22.066 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.619 -9.492 22.140 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.523 -11.814 21.308 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.263 -11.842 21.104 1.00 0.00 H new ATOM 1204 N GLU A 72 19.389 -8.510 18.819 1.00 0.00 N ATOM 1205 CA GLU A 72 20.579 -8.671 17.936 1.00 0.00 C ATOM 1206 C GLU A 72 21.853 -9.007 18.781 1.00 0.00 C ATOM 1207 O GLU A 72 22.529 -8.119 19.303 1.00 0.00 O ATOM 1208 CB GLU A 72 20.693 -7.407 17.034 1.00 0.00 C ATOM 1209 CG GLU A 72 21.593 -7.601 15.782 1.00 0.00 C ATOM 1210 CD GLU A 72 21.630 -6.439 14.781 1.00 0.00 C ATOM 1211 OE1 GLU A 72 22.665 -5.961 14.320 1.00 0.00 O ATOM 1212 OE2 GLU A 72 20.387 -6.014 14.418 1.00 0.00 O ATOM 0 H GLU A 72 19.166 -7.540 19.041 1.00 0.00 H new ATOM 0 HA GLU A 72 20.472 -9.525 17.267 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.695 -7.114 16.709 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.089 -6.584 17.629 1.00 0.00 H new ATOM 0 HG2 GLU A 72 22.611 -7.793 16.120 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.258 -8.495 15.256 1.00 0.00 H new ATOM 1363 N CYS A 82 20.366 -5.855 21.175 1.00 0.00 N ATOM 1364 CA CYS A 82 19.501 -4.708 20.787 1.00 0.00 C ATOM 1365 C CYS A 82 18.187 -5.193 20.103 1.00 0.00 C ATOM 1366 O CYS A 82 18.187 -5.823 19.036 1.00 0.00 O ATOM 1367 CB CYS A 82 20.291 -3.738 19.895 1.00 0.00 C ATOM 1368 SG CYS A 82 21.647 -2.961 20.840 1.00 0.00 S ATOM 0 HA CYS A 82 19.201 -4.173 21.688 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.698 -4.273 19.037 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.625 -2.969 19.504 1.00 0.00 H new ATOM 0 HG CYS A 82 22.303 -2.147 20.068 1.00 0.00 H new ATOM 1374 N MET A 83 17.066 -4.901 20.768 1.00 0.00 N ATOM 1375 CA MET A 83 15.725 -5.434 20.427 1.00 0.00 C ATOM 1376 C MET A 83 15.145 -4.703 19.180 1.00 0.00 C ATOM 1377 O MET A 83 14.697 -3.554 19.235 1.00 0.00 O ATOM 1378 CB MET A 83 14.841 -5.343 21.699 1.00 0.00 C ATOM 1379 CG MET A 83 15.188 -6.352 22.819 1.00 0.00 C ATOM 1380 SD MET A 83 13.726 -6.708 23.817 1.00 0.00 S ATOM 1381 CE MET A 83 13.012 -8.062 22.858 1.00 0.00 C ATOM 0 H MET A 83 17.054 -4.277 21.575 1.00 0.00 H new ATOM 0 HA MET A 83 15.770 -6.483 20.133 1.00 0.00 H new ATOM 0 HB2 MET A 83 14.919 -4.334 22.104 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.800 -5.490 21.410 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.571 -7.274 22.381 1.00 0.00 H new ATOM 0 HG3 MET A 83 15.978 -5.947 23.451 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.095 -8.404 23.338 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.786 -7.714 21.850 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.724 -8.886 22.806 1.00 0.00 H new ATOM 1391 N THR A 84 15.263 -5.369 18.025 1.00 0.00 N ATOM 1392 CA THR A 84 15.225 -4.708 16.702 1.00 0.00 C ATOM 1393 C THR A 84 13.848 -4.933 16.027 1.00 0.00 C ATOM 1394 O THR A 84 13.513 -6.048 15.620 1.00 0.00 O ATOM 1395 CB THR A 84 16.420 -5.223 15.847 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.661 -4.943 16.498 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.479 -4.560 14.461 1.00 0.00 C ATOM 0 H THR A 84 15.388 -6.380 17.974 1.00 0.00 H new ATOM 0 HA THR A 84 15.336 -3.629 16.808 1.00 0.00 H new ATOM 0 HB THR A 84 16.264 -6.296 15.731 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.682 -5.392 17.369 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.330 -4.954 13.905 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.559 -4.774 13.916 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.590 -3.482 14.578 1.00 0.00 H new ATOM 1405 N THR A 85 13.085 -3.847 15.874 1.00 0.00 N ATOM 1406 CA THR A 85 11.791 -3.866 15.138 1.00 0.00 C ATOM 1407 C THR A 85 12.020 -3.314 13.699 1.00 0.00 C ATOM 1408 O THR A 85 12.502 -2.187 13.535 1.00 0.00 O ATOM 1409 CB THR A 85 10.752 -3.018 15.921 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.589 -3.527 17.240 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.343 -3.024 15.303 1.00 0.00 C ATOM 0 H THR A 85 13.333 -2.931 16.248 1.00 0.00 H new ATOM 0 HA THR A 85 11.405 -4.882 15.055 1.00 0.00 H new ATOM 0 HB THR A 85 11.155 -2.006 15.898 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.933 -2.982 17.722 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.677 -2.409 15.909 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.388 -2.622 14.291 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.964 -4.046 15.271 1.00 0.00 H new ATOM 1419 N VAL A 86 11.627 -4.086 12.671 1.00 0.00 N ATOM 1420 CA VAL A 86 11.610 -3.602 11.257 1.00 0.00 C ATOM 1421 C VAL A 86 10.112 -3.499 10.819 1.00 0.00 C ATOM 1422 O VAL A 86 9.364 -4.478 10.909 1.00 0.00 O ATOM 1423 CB VAL A 86 12.474 -4.477 10.287 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.613 -3.793 8.907 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.911 -4.774 10.773 1.00 0.00 C ATOM 0 H VAL A 86 11.314 -5.051 12.781 1.00 0.00 H new ATOM 0 HA VAL A 86 12.084 -2.622 11.201 1.00 0.00 H new ATOM 0 HB VAL A 86 11.929 -5.420 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.217 -4.419 8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.625 -3.654 8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.095 -2.823 9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.426 -5.385 10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.450 -3.837 10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.871 -5.310 11.721 1.00 0.00 H new ATOM 1435 N SER A 87 9.658 -2.313 10.380 1.00 0.00 N ATOM 1436 CA SER A 87 8.232 -2.058 10.018 1.00 0.00 C ATOM 1437 C SER A 87 8.093 -1.189 8.726 1.00 0.00 C ATOM 1438 O SER A 87 8.931 -0.331 8.429 1.00 0.00 O ATOM 1439 CB SER A 87 7.517 -1.425 11.236 1.00 0.00 C ATOM 1440 OG SER A 87 7.436 -2.363 12.309 1.00 0.00 O ATOM 0 H SER A 87 10.259 -1.498 10.262 1.00 0.00 H new ATOM 0 HA SER A 87 7.750 -3.005 9.776 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.058 -0.536 11.562 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.516 -1.102 10.951 1.00 0.00 H new ATOM 0 HG SER A 87 6.983 -1.948 13.073 1.00 0.00 H new ATOM 1446 N TRP A 88 7.017 -1.399 7.943 1.00 0.00 N ATOM 1447 CA TRP A 88 6.787 -0.643 6.678 1.00 0.00 C ATOM 1448 C TRP A 88 6.124 0.756 6.894 1.00 0.00 C ATOM 1449 O TRP A 88 4.993 0.859 7.376 1.00 0.00 O ATOM 1450 CB TRP A 88 5.914 -1.488 5.701 1.00 0.00 C ATOM 1451 CG TRP A 88 6.666 -2.486 4.815 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.381 -3.862 4.700 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.589 -2.215 3.820 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.150 -4.477 3.694 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.868 -3.432 3.142 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.108 -0.985 3.332 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.636 -3.419 1.960 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.872 -1.005 2.166 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.117 -2.201 1.484 1.00 0.00 C ATOM 0 H TRP A 88 6.290 -2.082 8.156 1.00 0.00 H new ATOM 0 HA TRP A 88 7.773 -0.460 6.251 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.177 -2.037 6.287 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.362 -0.804 5.056 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.658 -4.382 5.311 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.172 -5.463 3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.915 -0.058 3.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.848 -4.337 1.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.281 -0.082 1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.691 -2.180 0.569 1.00 0.00 H new ATOM 1470 N ASP A 89 6.792 1.822 6.422 1.00 0.00 N ATOM 1471 CA ASP A 89 6.155 3.143 6.166 1.00 0.00 C ATOM 1472 C ASP A 89 6.024 3.378 4.617 1.00 0.00 C ATOM 1473 O ASP A 89 6.732 4.201 4.027 1.00 0.00 O ATOM 1474 CB ASP A 89 7.016 4.176 6.946 1.00 0.00 C ATOM 1475 CG ASP A 89 6.489 5.608 6.963 1.00 0.00 C ATOM 1476 OD1 ASP A 89 7.040 6.533 6.373 1.00 0.00 O ATOM 1477 OD2 ASP A 89 5.358 5.735 7.719 1.00 0.00 O ATOM 0 H ASP A 89 7.788 1.801 6.204 1.00 0.00 H new ATOM 0 HA ASP A 89 5.128 3.227 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.114 3.834 7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.017 4.183 6.516 1.00 0.00 H new ATOM 1483 N GLY A 90 5.114 2.630 3.956 1.00 0.00 N ATOM 1484 CA GLY A 90 4.887 2.724 2.486 1.00 0.00 C ATOM 1485 C GLY A 90 6.073 2.283 1.595 1.00 0.00 C ATOM 1486 O GLY A 90 6.336 1.090 1.445 1.00 0.00 O ATOM 0 H GLY A 90 4.516 1.945 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.019 2.116 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.636 3.756 2.241 1.00 0.00 H new ATOM 1490 N ASP A 91 6.800 3.259 1.031 1.00 0.00 N ATOM 1491 CA ASP A 91 8.139 2.996 0.410 1.00 0.00 C ATOM 1492 C ASP A 91 9.354 2.894 1.395 1.00 0.00 C ATOM 1493 O ASP A 91 10.349 2.256 1.039 1.00 0.00 O ATOM 1494 CB ASP A 91 8.407 4.063 -0.690 1.00 0.00 C ATOM 1495 CG ASP A 91 7.655 3.893 -2.014 1.00 0.00 C ATOM 1496 OD1 ASP A 91 8.199 3.987 -3.110 1.00 0.00 O ATOM 1497 OD2 ASP A 91 6.329 3.633 -1.831 1.00 0.00 O ATOM 0 H ASP A 91 6.501 4.233 0.984 1.00 0.00 H new ATOM 0 HA ASP A 91 8.071 1.994 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.158 5.042 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.476 4.069 -0.904 1.00 0.00 H new ATOM 1503 N LYS A 92 9.302 3.511 2.588 1.00 0.00 N ATOM 1504 CA LYS A 92 10.413 3.483 3.572 1.00 0.00 C ATOM 1505 C LYS A 92 10.269 2.282 4.552 1.00 0.00 C ATOM 1506 O LYS A 92 9.404 2.264 5.432 1.00 0.00 O ATOM 1507 CB LYS A 92 10.443 4.854 4.305 1.00 0.00 C ATOM 1508 CG LYS A 92 11.097 5.991 3.486 1.00 0.00 C ATOM 1509 CD LYS A 92 11.049 7.353 4.202 1.00 0.00 C ATOM 1510 CE LYS A 92 11.868 8.414 3.450 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.780 9.711 4.147 1.00 0.00 N ATOM 0 H LYS A 92 8.492 4.045 2.903 1.00 0.00 H new ATOM 0 HA LYS A 92 11.366 3.333 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.422 5.142 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.983 4.740 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.135 5.732 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.592 6.075 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.014 7.684 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.434 7.246 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.909 8.099 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.498 8.515 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.337 10.421 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.786 10.015 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.154 9.612 5.112 1.00 0.00 H new ATOM 1524 N LEU A 93 11.162 1.289 4.431 1.00 0.00 N ATOM 1525 CA LEU A 93 11.308 0.206 5.437 1.00 0.00 C ATOM 1526 C LEU A 93 12.109 0.738 6.671 1.00 0.00 C ATOM 1527 O LEU A 93 13.295 1.075 6.565 1.00 0.00 O ATOM 1528 CB LEU A 93 11.978 -0.990 4.713 1.00 0.00 C ATOM 1529 CG LEU A 93 12.106 -2.306 5.519 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.740 -2.973 5.769 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.028 -3.282 4.773 1.00 0.00 C ATOM 0 H LEU A 93 11.803 1.206 3.642 1.00 0.00 H new ATOM 0 HA LEU A 93 10.352 -0.130 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.411 -1.200 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.976 -0.683 4.401 1.00 0.00 H new ATOM 0 HG LEU A 93 12.531 -2.054 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.882 -3.892 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.101 -2.293 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.269 -3.207 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.116 -4.207 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.609 -3.499 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.014 -2.833 4.656 1.00 0.00 H new ATOM 1543 N GLN A 94 11.424 0.866 7.817 1.00 0.00 N ATOM 1544 CA GLN A 94 11.960 1.548 9.022 1.00 0.00 C ATOM 1545 C GLN A 94 12.476 0.514 10.059 1.00 0.00 C ATOM 1546 O GLN A 94 11.700 -0.300 10.569 1.00 0.00 O ATOM 1547 CB GLN A 94 10.841 2.420 9.657 1.00 0.00 C ATOM 1548 CG GLN A 94 10.471 3.686 8.861 1.00 0.00 C ATOM 1549 CD GLN A 94 11.564 4.761 8.830 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.716 4.624 9.233 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.247 5.869 8.246 1.00 0.00 N ATOM 0 H GLN A 94 10.480 0.501 7.943 1.00 0.00 H new ATOM 0 HA GLN A 94 12.798 2.179 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.947 1.808 9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.156 2.717 10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.233 3.399 7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.567 4.118 9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.297 6.010 7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.946 6.602 8.130 1.00 0.00 H new ATOM 1560 N CYS A 95 13.771 0.574 10.391 1.00 0.00 N ATOM 1561 CA CYS A 95 14.385 -0.286 11.431 1.00 0.00 C ATOM 1562 C CYS A 95 14.814 0.551 12.665 1.00 0.00 C ATOM 1563 O CYS A 95 15.542 1.541 12.530 1.00 0.00 O ATOM 1564 CB CYS A 95 15.591 -1.002 10.804 1.00 0.00 C ATOM 1565 SG CYS A 95 16.461 -2.039 12.032 1.00 0.00 S ATOM 0 H CYS A 95 14.429 1.217 9.951 1.00 0.00 H new ATOM 0 HA CYS A 95 13.659 -1.019 11.783 1.00 0.00 H new ATOM 0 HB2 CYS A 95 15.256 -1.623 9.973 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.281 -0.265 10.393 1.00 0.00 H new ATOM 0 HG CYS A 95 17.723 -2.108 11.726 1.00 0.00 H new ATOM 1571 N VAL A 96 14.399 0.122 13.868 1.00 0.00 N ATOM 1572 CA VAL A 96 14.835 0.752 15.150 1.00 0.00 C ATOM 1573 C VAL A 96 15.415 -0.343 16.111 1.00 0.00 C ATOM 1574 O VAL A 96 14.732 -1.309 16.472 1.00 0.00 O ATOM 1575 CB VAL A 96 13.701 1.653 15.751 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.417 0.910 16.185 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.202 2.518 16.929 1.00 0.00 C ATOM 0 H VAL A 96 13.759 -0.662 13.992 1.00 0.00 H new ATOM 0 HA VAL A 96 15.657 1.447 14.975 1.00 0.00 H new ATOM 0 HB VAL A 96 13.424 2.286 14.908 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.700 1.626 16.586 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.981 0.403 15.324 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.663 0.176 16.952 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.380 3.124 17.311 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.575 1.871 17.723 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.005 3.170 16.586 1.00 0.00 H new ATOM 1587 N GLN A 97 16.687 -0.181 16.517 1.00 0.00 N ATOM 1588 CA GLN A 97 17.434 -1.177 17.336 1.00 0.00 C ATOM 1589 C GLN A 97 17.453 -0.724 18.832 1.00 0.00 C ATOM 1590 O GLN A 97 18.247 0.138 19.223 1.00 0.00 O ATOM 1591 CB GLN A 97 18.865 -1.314 16.738 1.00 0.00 C ATOM 1592 CG GLN A 97 18.952 -1.905 15.304 1.00 0.00 C ATOM 1593 CD GLN A 97 20.343 -1.878 14.673 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.717 -0.949 13.965 1.00 0.00 O ATOM 1595 NE2 GLN A 97 21.147 -2.885 14.906 1.00 0.00 N ATOM 0 H GLN A 97 17.237 0.647 16.289 1.00 0.00 H new ATOM 0 HA GLN A 97 16.951 -2.154 17.310 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.330 -0.328 16.732 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.457 -1.942 17.404 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.603 -2.937 15.332 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.267 -1.354 14.659 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.838 -3.659 15.495 1.00 0.00 H new ATOM 0 HE22 GLN A 97 22.082 -2.896 14.499 1.00 0.00 H new ATOM 1604 N LYS A 98 16.558 -1.282 19.668 1.00 0.00 N ATOM 1605 CA LYS A 98 16.300 -0.750 21.037 1.00 0.00 C ATOM 1606 C LYS A 98 17.216 -1.417 22.113 1.00 0.00 C ATOM 1607 O LYS A 98 17.130 -2.622 22.369 1.00 0.00 O ATOM 1608 CB LYS A 98 14.808 -0.956 21.420 1.00 0.00 C ATOM 1609 CG LYS A 98 13.738 -0.297 20.516 1.00 0.00 C ATOM 1610 CD LYS A 98 12.310 -0.523 21.062 1.00 0.00 C ATOM 1611 CE LYS A 98 11.192 0.086 20.197 1.00 0.00 C ATOM 1612 NZ LYS A 98 10.898 -0.756 19.021 1.00 0.00 N ATOM 0 H LYS A 98 15.998 -2.100 19.428 1.00 0.00 H new ATOM 0 HA LYS A 98 16.533 0.315 21.017 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.613 -2.028 21.445 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.667 -0.583 22.434 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.934 0.773 20.441 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.811 -0.706 19.508 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.136 -1.595 21.156 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.247 -0.101 22.065 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.289 0.203 20.797 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.487 1.082 19.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.267 -0.241 18.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.785 -0.987 18.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.435 -1.634 19.330 1.00 0.00 H new ATOM 1625 N GLY A 99 18.062 -0.626 22.783 1.00 0.00 N ATOM 1626 CA GLY A 99 18.856 -1.127 23.935 1.00 0.00 C ATOM 1627 C GLY A 99 19.791 -0.069 24.546 1.00 0.00 C ATOM 1628 O GLY A 99 19.324 0.952 25.054 1.00 0.00 O ATOM 0 H GLY A 99 18.221 0.356 22.558 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.175 -1.486 24.706 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.450 -1.982 23.612 1.00 0.00 H new ATOM 1632 N GLU A 100 21.107 -0.328 24.526 1.00 0.00 N ATOM 1633 CA GLU A 100 22.112 0.553 25.195 1.00 0.00 C ATOM 1634 C GLU A 100 22.445 1.897 24.460 1.00 0.00 C ATOM 1635 O GLU A 100 22.511 2.942 25.112 1.00 0.00 O ATOM 1636 CB GLU A 100 23.370 -0.321 25.480 1.00 0.00 C ATOM 1637 CG GLU A 100 24.442 0.296 26.417 1.00 0.00 C ATOM 1638 CD GLU A 100 24.023 0.426 27.882 1.00 0.00 C ATOM 1639 OE1 GLU A 100 24.110 -0.484 28.700 1.00 0.00 O ATOM 1640 OE2 GLU A 100 23.542 1.664 28.178 1.00 0.00 O ATOM 0 H GLU A 100 21.513 -1.138 24.057 1.00 0.00 H new ATOM 0 HA GLU A 100 21.673 0.923 26.122 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.039 -1.264 25.914 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.844 -0.558 24.528 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.343 -0.315 26.365 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.706 1.285 26.041 1.00 0.00 H new ATOM 1648 N LYS A 101 22.696 1.877 23.137 1.00 0.00 N ATOM 1649 CA LYS A 101 23.085 3.091 22.368 1.00 0.00 C ATOM 1650 C LYS A 101 21.844 3.833 21.774 1.00 0.00 C ATOM 1651 O LYS A 101 20.980 3.230 21.129 1.00 0.00 O ATOM 1652 CB LYS A 101 24.134 2.656 21.319 1.00 0.00 C ATOM 1653 CG LYS A 101 24.809 3.832 20.578 1.00 0.00 C ATOM 1654 CD LYS A 101 26.115 3.435 19.864 1.00 0.00 C ATOM 1655 CE LYS A 101 27.414 3.616 20.679 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.609 2.613 21.744 1.00 0.00 N ATOM 0 H LYS A 101 22.638 1.032 22.569 1.00 0.00 H new ATOM 0 HA LYS A 101 23.538 3.839 23.019 1.00 0.00 H new ATOM 0 HB2 LYS A 101 24.903 2.063 21.814 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.653 2.007 20.587 1.00 0.00 H new ATOM 0 HG2 LYS A 101 24.112 4.238 19.845 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.021 4.628 21.292 1.00 0.00 H new ATOM 0 HD2 LYS A 101 26.039 2.389 19.566 1.00 0.00 H new ATOM 0 HD3 LYS A 101 26.199 4.022 18.949 1.00 0.00 H new ATOM 0 HE2 LYS A 101 28.264 3.576 19.998 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.412 4.609 21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.621 2.545 21.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.078 2.899 22.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.266 1.688 21.416 1.00 0.00 H new ATOM 1669 N GLU A 102 21.775 5.161 21.986 1.00 0.00 N ATOM 1670 CA GLU A 102 20.622 5.994 21.544 1.00 0.00 C ATOM 1671 C GLU A 102 20.598 6.257 20.004 1.00 0.00 C ATOM 1672 O GLU A 102 21.648 6.377 19.368 1.00 0.00 O ATOM 1673 CB GLU A 102 20.586 7.297 22.394 1.00 0.00 C ATOM 1674 CG GLU A 102 21.719 8.335 22.165 1.00 0.00 C ATOM 1675 CD GLU A 102 21.636 9.549 23.085 1.00 0.00 C ATOM 1676 OE1 GLU A 102 22.292 9.672 24.113 1.00 0.00 O ATOM 1677 OE2 GLU A 102 20.756 10.484 22.632 1.00 0.00 O ATOM 0 H GLU A 102 22.505 5.690 22.463 1.00 0.00 H new ATOM 0 HA GLU A 102 19.703 5.436 21.722 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.633 7.793 22.209 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.598 7.013 23.446 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.682 7.846 22.310 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.686 8.673 21.129 1.00 0.00 H new ATOM 1685 N GLY A 103 19.401 6.323 19.397 1.00 0.00 N ATOM 1686 CA GLY A 103 19.262 6.546 17.925 1.00 0.00 C ATOM 1687 C GLY A 103 19.835 5.511 16.923 1.00 0.00 C ATOM 1688 O GLY A 103 20.094 5.884 15.778 1.00 0.00 O ATOM 0 H GLY A 103 18.513 6.227 19.889 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.198 6.647 17.712 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.725 7.506 17.698 1.00 0.00 H new ATOM 1692 N ARG A 104 20.020 4.242 17.326 1.00 0.00 N ATOM 1693 CA ARG A 104 20.568 3.178 16.448 1.00 0.00 C ATOM 1694 C ARG A 104 19.458 2.546 15.548 1.00 0.00 C ATOM 1695 O ARG A 104 18.462 2.005 16.040 1.00 0.00 O ATOM 1696 CB ARG A 104 21.339 2.174 17.347 1.00 0.00 C ATOM 1697 CG ARG A 104 22.116 1.075 16.576 1.00 0.00 C ATOM 1698 CD ARG A 104 23.255 0.422 17.391 1.00 0.00 C ATOM 1699 NE ARG A 104 23.653 -0.955 16.976 1.00 0.00 N ATOM 1700 CZ ARG A 104 24.146 -1.327 15.794 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.213 -0.559 14.731 1.00 0.00 N ATOM 1702 NH2 ARG A 104 24.583 -2.551 15.688 1.00 0.00 N ATOM 0 H ARG A 104 19.796 3.919 18.267 1.00 0.00 H new ATOM 0 HA ARG A 104 21.276 3.584 15.726 1.00 0.00 H new ATOM 0 HB2 ARG A 104 22.043 2.729 17.967 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.630 1.693 18.021 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.416 0.300 16.264 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.535 1.510 15.669 1.00 0.00 H new ATOM 0 HD2 ARG A 104 24.133 1.066 17.331 1.00 0.00 H new ATOM 0 HD3 ARG A 104 22.954 0.391 18.438 1.00 0.00 H new ATOM 0 HE ARG A 104 23.535 -1.692 17.672 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.872 0.401 14.773 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.606 -0.923 13.863 1.00 0.00 H new ATOM 0 HH21 ARG A 104 24.539 -3.179 16.490 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.969 -2.880 14.803 1.00 0.00 H new ATOM 1716 N GLY A 105 19.633 2.632 14.223 1.00 0.00 N ATOM 1717 CA GLY A 105 18.646 2.089 13.257 1.00 0.00 C ATOM 1718 C GLY A 105 18.936 2.431 11.783 1.00 0.00 C ATOM 1719 O GLY A 105 20.037 2.856 11.415 1.00 0.00 O ATOM 0 H GLY A 105 20.445 3.070 13.788 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.611 1.005 13.365 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.657 2.468 13.516 1.00 0.00 H new ATOM 1723 N TRP A 106 17.927 2.234 10.920 1.00 0.00 N ATOM 1724 CA TRP A 106 18.029 2.589 9.474 1.00 0.00 C ATOM 1725 C TRP A 106 16.653 2.822 8.769 1.00 0.00 C ATOM 1726 O TRP A 106 15.602 2.328 9.187 1.00 0.00 O ATOM 1727 CB TRP A 106 18.979 1.636 8.674 1.00 0.00 C ATOM 1728 CG TRP A 106 18.721 0.126 8.686 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.452 -0.792 9.467 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.776 -0.627 8.009 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.989 -2.109 9.294 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.939 -1.982 8.399 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.706 -0.251 7.158 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 17.015 -2.962 7.964 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.803 -1.232 6.751 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.954 -2.567 7.145 1.00 0.00 C ATOM 0 H TRP A 106 17.028 1.832 11.186 1.00 0.00 H new ATOM 0 HA TRP A 106 18.508 3.568 9.464 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.966 1.961 7.634 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.991 1.797 9.046 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.268 -0.518 10.119 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.344 -2.961 9.728 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.593 0.773 6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.128 -3.995 8.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.971 -0.957 6.120 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.239 -3.304 6.810 1.00 0.00 H new ATOM 1747 N THR A 107 16.693 3.564 7.651 1.00 0.00 N ATOM 1748 CA THR A 107 15.519 3.809 6.769 1.00 0.00 C ATOM 1749 C THR A 107 15.911 3.422 5.302 1.00 0.00 C ATOM 1750 O THR A 107 16.829 4.019 4.728 1.00 0.00 O ATOM 1751 CB THR A 107 15.094 5.305 6.885 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.814 5.675 8.234 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.845 5.646 6.069 1.00 0.00 C ATOM 0 H THR A 107 17.545 4.019 7.323 1.00 0.00 H new ATOM 0 HA THR A 107 14.666 3.200 7.069 1.00 0.00 H new ATOM 0 HB THR A 107 15.949 5.856 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.264 4.982 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.605 6.702 6.195 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.031 5.439 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 107 13.008 5.040 6.415 1.00 0.00 H new ATOM 1761 N GLN A 108 15.212 2.443 4.695 1.00 0.00 N ATOM 1762 CA GLN A 108 15.554 1.917 3.338 1.00 0.00 C ATOM 1763 C GLN A 108 14.376 2.085 2.322 1.00 0.00 C ATOM 1764 O GLN A 108 13.253 1.642 2.581 1.00 0.00 O ATOM 1765 CB GLN A 108 15.978 0.436 3.522 1.00 0.00 C ATOM 1766 CG GLN A 108 16.628 -0.217 2.280 1.00 0.00 C ATOM 1767 CD GLN A 108 17.131 -1.647 2.509 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.295 -1.897 2.802 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.285 -2.635 2.370 1.00 0.00 N ATOM 0 H GLN A 108 14.401 1.992 5.118 1.00 0.00 H new ATOM 0 HA GLN A 108 16.373 2.490 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.679 0.375 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.100 -0.146 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.902 -0.226 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.464 0.402 1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.313 -2.444 2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.597 -3.597 2.505 1.00 0.00 H new ATOM 1778 N TRP A 109 14.639 2.697 1.153 1.00 0.00 N ATOM 1779 CA TRP A 109 13.612 2.935 0.088 1.00 0.00 C ATOM 1780 C TRP A 109 14.185 2.767 -1.365 1.00 0.00 C ATOM 1781 O TRP A 109 15.399 2.666 -1.554 1.00 0.00 O ATOM 1782 CB TRP A 109 12.909 4.304 0.354 1.00 0.00 C ATOM 1783 CG TRP A 109 13.705 5.588 0.071 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.678 6.297 -1.145 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.604 6.269 0.876 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.553 7.398 -1.136 1.00 0.00 N ATOM 1787 CE2 TRP A 109 15.104 7.370 0.133 1.00 0.00 C ATOM 1788 CE3 TRP A 109 15.086 6.010 2.185 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 16.088 8.215 0.691 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 16.058 6.860 2.717 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.548 7.947 1.981 1.00 0.00 C ATOM 0 H TRP A 109 15.566 3.046 0.907 1.00 0.00 H new ATOM 0 HA TRP A 109 12.849 2.158 0.144 1.00 0.00 H new ATOM 0 HB2 TRP A 109 12.000 4.335 -0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.602 4.325 1.400 1.00 0.00 H new ATOM 0 HD1 TRP A 109 13.058 6.027 -1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.738 8.061 -1.888 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.710 5.175 2.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.477 9.052 0.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.438 6.677 3.711 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.296 8.590 2.421 1.00 0.00 H new ATOM 1802 N ILE A 110 13.322 2.747 -2.405 1.00 0.00 N ATOM 1803 CA ILE A 110 13.770 2.663 -3.839 1.00 0.00 C ATOM 1804 C ILE A 110 13.432 3.980 -4.620 1.00 0.00 C ATOM 1805 O ILE A 110 12.430 4.667 -4.386 1.00 0.00 O ATOM 1806 CB ILE A 110 13.261 1.330 -4.523 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.950 0.071 -3.914 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.440 1.285 -6.070 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.391 -1.291 -4.362 1.00 0.00 C ATOM 0 H ILE A 110 12.309 2.787 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 110 14.857 2.594 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 110 12.191 1.323 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.010 0.106 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.877 0.131 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.064 0.336 -6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.884 2.105 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.497 1.382 -6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.948 -2.091 -3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.339 -1.361 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.490 -1.387 -5.443 1.00 0.00 H new ATOM 1821 N GLU A 111 14.320 4.328 -5.570 1.00 0.00 N ATOM 1822 CA GLU A 111 14.173 5.504 -6.468 1.00 0.00 C ATOM 1823 C GLU A 111 14.584 5.059 -7.907 1.00 0.00 C ATOM 1824 O GLU A 111 15.759 5.094 -8.290 1.00 0.00 O ATOM 1825 CB GLU A 111 15.010 6.684 -5.899 1.00 0.00 C ATOM 1826 CG GLU A 111 14.560 7.206 -4.517 1.00 0.00 C ATOM 1827 CD GLU A 111 13.269 8.022 -4.496 1.00 0.00 C ATOM 1828 OE1 GLU A 111 13.251 9.248 -4.549 1.00 0.00 O ATOM 1829 OE2 GLU A 111 12.153 7.235 -4.397 1.00 0.00 O ATOM 0 H GLU A 111 15.174 3.797 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 111 13.146 5.865 -6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.051 6.369 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.974 7.509 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.437 6.352 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.361 7.820 -4.104 1.00 0.00 H new ATOM 1837 N GLY A 112 13.597 4.573 -8.684 1.00 0.00 N ATOM 1838 CA GLY A 112 13.843 3.953 -10.017 1.00 0.00 C ATOM 1839 C GLY A 112 14.477 2.543 -9.955 1.00 0.00 C ATOM 1840 O GLY A 112 13.904 1.629 -9.359 1.00 0.00 O ATOM 0 H GLY A 112 12.613 4.594 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.898 3.890 -10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.496 4.607 -10.594 1.00 0.00 H new ATOM 1844 N ASP A 113 15.675 2.381 -10.537 1.00 0.00 N ATOM 1845 CA ASP A 113 16.540 1.181 -10.289 1.00 0.00 C ATOM 1846 C ASP A 113 17.581 1.289 -9.113 1.00 0.00 C ATOM 1847 O ASP A 113 18.441 0.410 -8.992 1.00 0.00 O ATOM 1848 CB ASP A 113 17.187 0.746 -11.636 1.00 0.00 C ATOM 1849 CG ASP A 113 18.212 1.691 -12.269 1.00 0.00 C ATOM 1850 OD1 ASP A 113 19.424 1.557 -12.154 1.00 0.00 O ATOM 1851 OD2 ASP A 113 17.628 2.695 -12.980 1.00 0.00 O ATOM 0 H ASP A 113 16.081 3.056 -11.185 1.00 0.00 H new ATOM 0 HA ASP A 113 15.878 0.401 -9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.671 -0.218 -11.480 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.386 0.588 -12.358 1.00 0.00 H new ATOM 1857 N GLU A 114 17.507 2.318 -8.246 1.00 0.00 N ATOM 1858 CA GLU A 114 18.450 2.510 -7.115 1.00 0.00 C ATOM 1859 C GLU A 114 17.758 2.293 -5.734 1.00 0.00 C ATOM 1860 O GLU A 114 16.644 2.760 -5.491 1.00 0.00 O ATOM 1861 CB GLU A 114 19.101 3.916 -7.208 1.00 0.00 C ATOM 1862 CG GLU A 114 20.180 4.062 -8.313 1.00 0.00 C ATOM 1863 CD GLU A 114 20.851 5.435 -8.390 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.857 6.266 -7.486 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.469 5.629 -9.587 1.00 0.00 O ATOM 0 H GLU A 114 16.792 3.043 -8.306 1.00 0.00 H new ATOM 0 HA GLU A 114 19.232 1.754 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.317 4.653 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.552 4.156 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.950 3.308 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.721 3.845 -9.278 1.00 0.00 H new ATOM 1873 N LEU A 115 18.463 1.609 -4.821 1.00 0.00 N ATOM 1874 CA LEU A 115 18.060 1.469 -3.396 1.00 0.00 C ATOM 1875 C LEU A 115 18.837 2.519 -2.538 1.00 0.00 C ATOM 1876 O LEU A 115 20.070 2.601 -2.573 1.00 0.00 O ATOM 1877 CB LEU A 115 18.337 -0.004 -2.994 1.00 0.00 C ATOM 1878 CG LEU A 115 18.037 -0.446 -1.537 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.555 -0.822 -1.367 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.924 -1.642 -1.152 1.00 0.00 C ATOM 0 H LEU A 115 19.336 1.131 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 115 17.003 1.674 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.757 -0.643 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.389 -0.209 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 115 18.257 0.394 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.373 -1.128 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.931 0.040 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.309 -1.645 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.704 -1.943 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.724 -2.475 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.973 -1.357 -1.229 1.00 0.00 H new ATOM 1892 N HIS A 116 18.096 3.325 -1.772 1.00 0.00 N ATOM 1893 CA HIS A 116 18.657 4.436 -0.959 1.00 0.00 C ATOM 1894 C HIS A 116 18.477 4.104 0.552 1.00 0.00 C ATOM 1895 O HIS A 116 17.364 3.862 1.034 1.00 0.00 O ATOM 1896 CB HIS A 116 17.951 5.760 -1.354 1.00 0.00 C ATOM 1897 CG HIS A 116 18.429 6.398 -2.662 1.00 0.00 C ATOM 1898 ND1 HIS A 116 18.154 5.894 -3.928 1.00 0.00 N ATOM 1899 CD2 HIS A 116 19.230 7.549 -2.751 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.853 6.801 -4.682 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.518 7.831 -4.074 1.00 0.00 N ATOM 0 H HIS A 116 17.083 3.234 -1.690 1.00 0.00 H new ATOM 0 HA HIS A 116 19.724 4.557 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.880 5.571 -1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.089 6.480 -0.547 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.572 8.130 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.879 6.702 -5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 116 20.068 8.588 -4.480 1.00 0.00 H new ATOM 1909 N LEU A 117 19.598 4.089 1.287 1.00 0.00 N ATOM 1910 CA LEU A 117 19.641 3.672 2.711 1.00 0.00 C ATOM 1911 C LEU A 117 20.220 4.820 3.591 1.00 0.00 C ATOM 1912 O LEU A 117 21.372 5.228 3.411 1.00 0.00 O ATOM 1913 CB LEU A 117 20.511 2.384 2.766 1.00 0.00 C ATOM 1914 CG LEU A 117 20.712 1.740 4.163 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.436 1.062 4.681 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.856 0.720 4.108 1.00 0.00 C ATOM 0 H LEU A 117 20.507 4.365 0.917 1.00 0.00 H new ATOM 0 HA LEU A 117 18.647 3.463 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 117 20.060 1.640 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.493 2.618 2.355 1.00 0.00 H new ATOM 0 HG LEU A 117 20.961 2.542 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.628 0.626 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.639 1.801 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.134 0.277 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.992 0.272 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.615 -0.059 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.776 1.221 3.808 1.00 0.00 H new ATOM 1928 N GLU A 118 19.457 5.281 4.594 1.00 0.00 N ATOM 1929 CA GLU A 118 20.008 6.121 5.695 1.00 0.00 C ATOM 1930 C GLU A 118 20.244 5.240 6.955 1.00 0.00 C ATOM 1931 O GLU A 118 19.280 4.720 7.520 1.00 0.00 O ATOM 1932 CB GLU A 118 19.022 7.274 6.036 1.00 0.00 C ATOM 1933 CG GLU A 118 19.031 8.457 5.047 1.00 0.00 C ATOM 1934 CD GLU A 118 18.019 9.546 5.389 1.00 0.00 C ATOM 1935 OE1 GLU A 118 18.319 10.616 5.908 1.00 0.00 O ATOM 1936 OE2 GLU A 118 16.745 9.198 5.056 1.00 0.00 O ATOM 0 H GLU A 118 18.458 5.093 4.675 1.00 0.00 H new ATOM 0 HA GLU A 118 20.955 6.553 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.012 6.866 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.258 7.651 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.029 8.894 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.825 8.083 4.044 1.00 0.00 H new ATOM 1944 N MET A 119 21.496 5.095 7.417 1.00 0.00 N ATOM 1945 CA MET A 119 21.815 4.362 8.678 1.00 0.00 C ATOM 1946 C MET A 119 22.170 5.363 9.815 1.00 0.00 C ATOM 1947 O MET A 119 23.057 6.205 9.654 1.00 0.00 O ATOM 1948 CB MET A 119 22.973 3.357 8.473 1.00 0.00 C ATOM 1949 CG MET A 119 22.765 2.254 7.418 1.00 0.00 C ATOM 1950 SD MET A 119 24.109 1.052 7.492 1.00 0.00 S ATOM 1951 CE MET A 119 25.492 2.064 6.937 1.00 0.00 C ATOM 0 H MET A 119 22.316 5.473 6.942 1.00 0.00 H new ATOM 0 HA MET A 119 20.927 3.798 8.965 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.866 3.920 8.202 1.00 0.00 H new ATOM 0 HB3 MET A 119 23.177 2.876 9.430 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.812 1.754 7.588 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.719 2.697 6.423 1.00 0.00 H new ATOM 0 HE1 MET A 119 26.298 1.419 6.589 1.00 0.00 H new ATOM 0 HE2 MET A 119 25.166 2.710 6.122 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.850 2.677 7.764 1.00 0.00 H new ATOM 1961 N ARG A 120 21.488 5.272 10.966 1.00 0.00 N ATOM 1962 CA ARG A 120 21.644 6.251 12.082 1.00 0.00 C ATOM 1963 C ARG A 120 22.270 5.583 13.343 1.00 0.00 C ATOM 1964 O ARG A 120 21.922 4.451 13.694 1.00 0.00 O ATOM 1965 CB ARG A 120 20.264 6.874 12.436 1.00 0.00 C ATOM 1966 CG ARG A 120 19.534 7.612 11.281 1.00 0.00 C ATOM 1967 CD ARG A 120 18.367 8.504 11.745 1.00 0.00 C ATOM 1968 NE ARG A 120 18.880 9.814 12.230 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.316 10.567 13.172 1.00 0.00 C ATOM 1970 NH1 ARG A 120 17.246 10.229 13.858 1.00 0.00 N ATOM 1971 NH2 ARG A 120 18.864 11.721 13.432 1.00 0.00 N ATOM 0 H ARG A 120 20.816 4.530 11.161 1.00 0.00 H new ATOM 0 HA ARG A 120 22.322 7.037 11.750 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.613 6.081 12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.405 7.576 13.258 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.256 8.227 10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.155 6.874 10.574 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.670 8.661 10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.813 8.005 12.540 1.00 0.00 H new ATOM 0 HE ARG A 120 19.738 10.165 11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 120 16.789 9.334 13.683 1.00 0.00 H new ATOM 0 HH12 ARG A 120 16.873 10.862 14.565 1.00 0.00 H new ATOM 0 HH21 ARG A 120 19.695 12.018 12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 120 18.462 12.327 14.147 1.00 0.00 H new ATOM 1985 N ALA A 121 23.178 6.293 14.038 1.00 0.00 N ATOM 1986 CA ALA A 121 23.644 5.905 15.397 1.00 0.00 C ATOM 1987 C ALA A 121 24.073 7.158 16.206 1.00 0.00 C ATOM 1988 O ALA A 121 24.878 7.970 15.741 1.00 0.00 O ATOM 1989 CB ALA A 121 24.803 4.902 15.320 1.00 0.00 C ATOM 0 H ALA A 121 23.611 7.146 13.684 1.00 0.00 H new ATOM 0 HA ALA A 121 22.811 5.424 15.910 1.00 0.00 H new ATOM 0 HB1 ALA A 121 25.122 4.637 16.328 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.474 4.005 14.796 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.637 5.351 14.781 1.00 0.00 H new ATOM 1995 N GLU A 122 23.519 7.337 17.418 1.00 0.00 N ATOM 1996 CA GLU A 122 23.709 8.577 18.247 1.00 0.00 C ATOM 1997 C GLU A 122 23.174 9.915 17.597 1.00 0.00 C ATOM 1998 O GLU A 122 23.723 10.996 17.827 1.00 0.00 O ATOM 1999 CB GLU A 122 25.166 8.701 18.796 1.00 0.00 C ATOM 2000 CG GLU A 122 25.772 7.429 19.443 1.00 0.00 C ATOM 2001 CD GLU A 122 27.051 7.685 20.240 1.00 0.00 C ATOM 2002 OE1 GLU A 122 28.128 7.967 19.722 1.00 0.00 O ATOM 2003 OE2 GLU A 122 26.852 7.572 21.587 1.00 0.00 O ATOM 0 H GLU A 122 22.925 6.638 17.864 1.00 0.00 H new ATOM 0 HA GLU A 122 23.052 8.435 19.105 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.815 9.009 17.976 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.185 9.502 19.535 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.029 6.980 20.102 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.984 6.701 18.660 1.00 0.00 H new ATOM 2011 N GLY A 123 22.132 9.836 16.742 1.00 0.00 N ATOM 2012 CA GLY A 123 21.839 10.903 15.738 1.00 0.00 C ATOM 2013 C GLY A 123 22.623 10.899 14.392 1.00 0.00 C ATOM 2014 O GLY A 123 22.117 11.414 13.390 1.00 0.00 O ATOM 0 H GLY A 123 21.478 9.053 16.720 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.776 10.852 15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.012 11.866 16.219 1.00 0.00 H new ATOM 2018 N VAL A 124 23.858 10.363 14.352 1.00 0.00 N ATOM 2019 CA VAL A 124 24.791 10.504 13.196 1.00 0.00 C ATOM 2020 C VAL A 124 24.325 9.605 12.007 1.00 0.00 C ATOM 2021 O VAL A 124 24.246 8.380 12.127 1.00 0.00 O ATOM 2022 CB VAL A 124 26.262 10.189 13.631 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.263 10.288 12.460 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.800 11.092 14.769 1.00 0.00 C ATOM 0 H VAL A 124 24.247 9.816 15.120 1.00 0.00 H new ATOM 0 HA VAL A 124 24.772 11.538 12.851 1.00 0.00 H new ATOM 0 HB VAL A 124 26.194 9.164 13.996 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.267 10.060 12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.985 9.576 11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.245 11.298 12.050 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.824 10.806 15.007 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.780 12.133 14.448 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.175 10.973 15.654 1.00 0.00 H new ATOM 2034 N THR A 125 24.030 10.247 10.868 1.00 0.00 N ATOM 2035 CA THR A 125 23.351 9.590 9.716 1.00 0.00 C ATOM 2036 C THR A 125 24.352 9.331 8.543 1.00 0.00 C ATOM 2037 O THR A 125 24.938 10.263 7.981 1.00 0.00 O ATOM 2038 CB THR A 125 22.120 10.460 9.317 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.263 10.640 10.448 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.260 9.846 8.199 1.00 0.00 C ATOM 0 H THR A 125 24.249 11.230 10.709 1.00 0.00 H new ATOM 0 HA THR A 125 22.987 8.600 9.993 1.00 0.00 H new ATOM 0 HB THR A 125 22.537 11.400 8.955 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.493 11.189 10.191 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.424 10.509 7.977 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.867 9.716 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.879 8.878 8.523 1.00 0.00 H new ATOM 2048 N CYS A 126 24.507 8.055 8.160 1.00 0.00 N ATOM 2049 CA CYS A 126 25.243 7.636 6.941 1.00 0.00 C ATOM 2050 C CYS A 126 24.274 7.379 5.748 1.00 0.00 C ATOM 2051 O CYS A 126 23.376 6.537 5.843 1.00 0.00 O ATOM 2052 CB CYS A 126 26.040 6.370 7.326 1.00 0.00 C ATOM 2053 SG CYS A 126 26.675 5.471 5.869 1.00 0.00 S ATOM 0 H CYS A 126 24.124 7.271 8.688 1.00 0.00 H new ATOM 0 HA CYS A 126 25.917 8.422 6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.875 6.652 7.967 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.401 5.706 7.908 1.00 0.00 H new ATOM 0 HG CYS A 126 27.578 4.615 6.247 1.00 0.00 H new ATOM 2059 N LYS A 127 24.473 8.080 4.616 1.00 0.00 N ATOM 2060 CA LYS A 127 23.661 7.859 3.384 1.00 0.00 C ATOM 2061 C LYS A 127 24.409 6.892 2.417 1.00 0.00 C ATOM 2062 O LYS A 127 25.522 7.177 1.970 1.00 0.00 O ATOM 2063 CB LYS A 127 23.323 9.217 2.705 1.00 0.00 C ATOM 2064 CG LYS A 127 22.087 9.930 3.291 1.00 0.00 C ATOM 2065 CD LYS A 127 21.818 11.292 2.627 1.00 0.00 C ATOM 2066 CE LYS A 127 20.558 11.966 3.189 1.00 0.00 C ATOM 2067 NZ LYS A 127 20.355 13.276 2.543 1.00 0.00 N ATOM 0 H LYS A 127 25.185 8.804 4.520 1.00 0.00 H new ATOM 0 HA LYS A 127 22.715 7.389 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.185 9.878 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.159 9.047 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.212 9.291 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.229 10.074 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.677 11.945 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.707 11.156 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 127 19.689 11.330 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 127 20.654 12.094 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.500 13.725 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 21.178 13.885 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.243 13.144 1.518 1.00 0.00 H new ATOM 2080 N GLN A 128 23.797 5.743 2.102 1.00 0.00 N ATOM 2081 CA GLN A 128 24.401 4.723 1.203 1.00 0.00 C ATOM 2082 C GLN A 128 23.502 4.490 -0.047 1.00 0.00 C ATOM 2083 O GLN A 128 22.319 4.148 0.075 1.00 0.00 O ATOM 2084 CB GLN A 128 24.653 3.422 2.005 1.00 0.00 C ATOM 2085 CG GLN A 128 25.787 3.532 3.061 1.00 0.00 C ATOM 2086 CD GLN A 128 26.439 2.253 3.602 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.612 2.253 3.956 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.756 1.136 3.700 1.00 0.00 N ATOM 0 H GLN A 128 22.875 5.485 2.455 1.00 0.00 H new ATOM 0 HA GLN A 128 25.361 5.079 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.730 3.135 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.898 2.621 1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.578 4.145 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.388 4.082 3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.778 1.109 3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 128 26.204 0.295 4.064 1.00 0.00 H new ATOM 2097 N VAL A 129 24.075 4.675 -1.252 1.00 0.00 N ATOM 2098 CA VAL A 129 23.321 4.533 -2.534 1.00 0.00 C ATOM 2099 C VAL A 129 23.739 3.183 -3.199 1.00 0.00 C ATOM 2100 O VAL A 129 24.926 2.877 -3.348 1.00 0.00 O ATOM 2101 CB VAL A 129 23.527 5.765 -3.483 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.685 5.649 -4.777 1.00 0.00 C ATOM 2103 CG2 VAL A 129 23.159 7.125 -2.844 1.00 0.00 C ATOM 0 H VAL A 129 25.057 4.923 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 129 22.251 4.514 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 129 24.596 5.743 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.859 6.524 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.975 4.750 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.627 5.592 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 129 23.330 7.924 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 129 22.109 7.118 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.779 7.293 -1.963 1.00 0.00 H new ATOM 2113 N PHE A 130 22.738 2.405 -3.624 1.00 0.00 N ATOM 2114 CA PHE A 130 22.918 1.074 -4.263 1.00 0.00 C ATOM 2115 C PHE A 130 22.177 1.022 -5.638 1.00 0.00 C ATOM 2116 O PHE A 130 21.121 1.634 -5.797 1.00 0.00 O ATOM 2117 CB PHE A 130 22.329 0.007 -3.298 1.00 0.00 C ATOM 2118 CG PHE A 130 23.199 -0.438 -2.115 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.273 0.335 -0.951 1.00 0.00 C ATOM 2120 CD2 PHE A 130 23.851 -1.671 -2.163 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.994 -0.124 0.150 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.570 -2.130 -1.063 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.644 -1.356 0.091 1.00 0.00 C ATOM 0 H PHE A 130 21.759 2.677 -3.537 1.00 0.00 H new ATOM 0 HA PHE A 130 23.975 0.884 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.392 0.396 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.082 -0.878 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.770 1.290 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.797 -2.272 -3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.049 0.474 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.070 -3.086 -1.105 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.206 -1.710 0.943 1.00 0.00 H new ATOM 2133 N LYS A 131 22.681 0.247 -6.615 1.00 0.00 N ATOM 2134 CA LYS A 131 22.010 0.038 -7.936 1.00 0.00 C ATOM 2135 C LYS A 131 21.645 -1.461 -8.176 1.00 0.00 C ATOM 2136 O LYS A 131 22.430 -2.364 -7.859 1.00 0.00 O ATOM 2137 CB LYS A 131 22.944 0.621 -9.026 1.00 0.00 C ATOM 2138 CG LYS A 131 22.386 0.573 -10.473 1.00 0.00 C ATOM 2139 CD LYS A 131 23.165 1.438 -11.485 1.00 0.00 C ATOM 2140 CE LYS A 131 22.633 2.878 -11.580 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.571 3.724 -12.344 1.00 0.00 N ATOM 0 H LYS A 131 23.563 -0.257 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 131 21.053 0.558 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.166 1.658 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.889 0.078 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 131 22.391 -0.461 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.346 0.899 -10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 131 24.217 1.463 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.113 0.972 -12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.656 2.880 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.495 3.288 -10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 23.198 4.693 -12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 24.495 3.735 -11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.681 3.340 -13.304 1.00 0.00 H new ATOM 2154 N LYS A 132 20.465 -1.725 -8.777 1.00 0.00 N ATOM 2155 CA LYS A 132 20.014 -3.112 -9.076 1.00 0.00 C ATOM 2156 C LYS A 132 20.762 -3.747 -10.288 1.00 0.00 C ATOM 2157 O LYS A 132 20.774 -3.185 -11.388 1.00 0.00 O ATOM 2158 CB LYS A 132 18.479 -3.122 -9.323 1.00 0.00 C ATOM 2159 CG LYS A 132 17.822 -4.482 -8.993 1.00 0.00 C ATOM 2160 CD LYS A 132 16.287 -4.452 -9.104 1.00 0.00 C ATOM 2161 CE LYS A 132 15.664 -5.697 -8.461 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.193 -5.649 -8.530 1.00 0.00 N ATOM 0 H LYS A 132 19.806 -1.002 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 132 20.256 -3.724 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.014 -2.344 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.283 -2.874 -10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.215 -5.242 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.102 -4.779 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.901 -3.556 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.996 -4.396 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.026 -6.592 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.980 -5.770 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.793 -6.420 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.858 -4.736 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.888 -5.757 -9.518 1.00 0.00 H new ATOM 2175 N VAL A 133 21.345 -4.936 -10.082 1.00 0.00 N ATOM 2176 CA VAL A 133 22.004 -5.725 -11.175 1.00 0.00 C ATOM 2177 C VAL A 133 21.188 -6.986 -11.618 1.00 0.00 C ATOM 2178 O VAL A 133 21.131 -7.263 -12.819 1.00 0.00 O ATOM 2179 CB VAL A 133 23.519 -6.011 -10.890 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.347 -4.714 -10.742 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.819 -6.911 -9.674 1.00 0.00 C ATOM 0 H VAL A 133 21.382 -5.389 -9.169 1.00 0.00 H new ATOM 0 HA VAL A 133 21.996 -5.079 -12.053 1.00 0.00 H new ATOM 0 HB VAL A 133 23.818 -6.566 -11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.389 -4.968 -10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.282 -4.134 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.955 -4.125 -9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.897 -7.040 -9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.424 -6.446 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.349 -7.884 -9.817 1.00 0.00 H new ATOM 2191 N HIS A 134 20.572 -7.755 -10.693 1.00 0.00 N ATOM 2192 CA HIS A 134 19.824 -8.986 -11.023 1.00 0.00 C ATOM 2193 C HIS A 134 18.347 -8.798 -10.606 1.00 0.00 C ATOM 2194 O HIS A 134 18.054 -8.627 -9.398 1.00 0.00 O ATOM 2195 CB HIS A 134 20.492 -10.182 -10.297 1.00 0.00 C ATOM 2196 CG HIS A 134 21.944 -10.540 -10.653 1.00 0.00 C ATOM 2197 ND1 HIS A 134 22.843 -11.031 -9.728 1.00 0.00 N ATOM 2198 CD2 HIS A 134 22.590 -10.382 -11.896 1.00 0.00 C ATOM 2199 CE1 HIS A 134 23.974 -11.103 -10.497 1.00 0.00 C ATOM 2200 NE2 HIS A 134 23.930 -10.738 -11.817 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.468 -8.821 -11.497 1.00 0.00 O ATOM 0 H HIS A 134 20.580 -7.538 -9.696 1.00 0.00 H new ATOM 0 HA HIS A 134 19.844 -9.190 -12.094 1.00 0.00 H new ATOM 0 HB2 HIS A 134 20.453 -9.983 -9.226 1.00 0.00 H new ATOM 0 HB3 HIS A 134 19.879 -11.065 -10.480 1.00 0.00 H new ATOM 0 HD2 HIS A 134 22.105 -10.029 -12.794 1.00 0.00 H new ATOM 0 HE1 HIS A 134 24.901 -11.448 -10.063 1.00 0.00 H new ATOM 0 HE2 HIS A 134 24.661 -10.730 -12.528 1.00 0.00 H new