USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1098 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 -170:sc= -0.0655 (180deg=-0.0847) USER MOD Set 1.2: A 119 MET CE :methyl -169:sc= 0 (180deg=-0.203) USER MOD Set 1.3: A 126 CYS SG : rot 38:sc= -0.211 USER MOD Set 1.4: A 128 GLN : amide:sc= -0.148 X(o=-0.42,f=-0.87) USER MOD Set 2.1: A 95 CYS SG : rot 170:sc= -1.12 USER MOD Set 2.2: A 97 GLN : amide:sc= 0.593 K(o=-0.52,f=-4.7!) USER MOD Set 3.1: A 94 GLN : amide:sc= 0.975 K(o=2.2,f=-4.4!) USER MOD Set 3.2: A 107 THR OG1 : rot -126:sc= 1.25 USER MOD Set 4.1: A 60 TYR OH : rot -4:sc= 1.33 USER MOD Set 4.2: A 62 MET CE :methyl 152:sc=-0.00765 (180deg=-0.13) USER MOD Set 5.1: A 5 ASN : amide:sc= 0.941 K(o=1.4,f=-2) USER MOD Set 5.2: A 44 GLN : amide:sc= 0.466 K(o=1.4,f=-0.97!) USER MOD Set 6.1: A 40 LYS NZ :NH3+ -174:sc= 0.674 (180deg=0) USER MOD Set 6.2: A 53 THR OG1 : rot 169:sc= 0.594 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 162:sc= 1.25 (180deg=0.788) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0569) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.412 X(o=0.41,f=0.24) USER MOD Single : A 15 ASN : amide:sc= 0.625 K(o=0.63,f=-0.41) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.723 K(o=0.72,f=-3.2!) USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= 0.168 (180deg=0.165) USER MOD Single : A 34 ASN : amide:sc= -0.714 K(o=-0.71,f=-1.8) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0.88 (180deg=0.764) USER MOD Single : A 48 HIS : no HD1:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 49 MET CE :methyl -118:sc= -0.0173 (180deg=-0.177) 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= 0.224 K(o=0.22,f=-5.6!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -121:sc= 0.406 USER MOD Single : A 81 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 -170:sc= 1.23 USER MOD Single : A 85 THR OG1 : rot 100:sc= 1.23 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 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -154:sc= 1.17 (180deg=0.757) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.22) 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 USER MOD Single : A 127 LYS NZ :NH3+ -155:sc= -0.013 (180deg=-0.765) USER MOD Single : A 131 LYS NZ :NH3+ 178:sc= 0.438 (180deg=0.435) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.462 1.209 0.600 1.00 0.00 N ATOM 2 CA MET A 0 1.954 0.637 -0.681 1.00 0.00 C ATOM 3 C MET A 0 3.469 0.254 -0.539 1.00 0.00 C ATOM 4 O MET A 0 4.309 1.140 -0.723 1.00 0.00 O ATOM 5 CB MET A 0 1.680 1.616 -1.858 1.00 0.00 C ATOM 6 CG MET A 0 0.217 1.713 -2.340 1.00 0.00 C ATOM 7 SD MET A 0 -0.822 2.512 -1.098 1.00 0.00 S ATOM 8 CE MET A 0 -2.405 2.493 -1.957 1.00 0.00 C ATOM 0 H1 MET A 0 0.580 1.734 0.430 1.00 0.00 H new ATOM 0 H2 MET A 0 1.283 0.440 1.277 1.00 0.00 H new ATOM 0 H3 MET A 0 2.179 1.854 0.990 1.00 0.00 H new ATOM 0 HA MET A 0 1.409 -0.278 -0.913 1.00 0.00 H new ATOM 0 HB2 MET A 0 2.008 2.611 -1.559 1.00 0.00 H new ATOM 0 HB3 MET A 0 2.300 1.317 -2.703 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.174 2.276 -3.272 1.00 0.00 H new ATOM 0 HG3 MET A 0 -0.166 0.715 -2.553 1.00 0.00 H new ATOM 0 HE1 MET A 0 -3.166 2.953 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 0 -2.320 3.051 -2.889 1.00 0.00 H new ATOM 0 HE3 MET A 0 -2.688 1.463 -2.175 1.00 0.00 H new ATOM 19 N PRO A 1 3.887 -1.006 -0.212 1.00 0.00 N ATOM 20 CA PRO A 1 5.325 -1.348 -0.023 1.00 0.00 C ATOM 21 C PRO A 1 6.109 -1.698 -1.333 1.00 0.00 C ATOM 22 O PRO A 1 5.574 -2.292 -2.275 1.00 0.00 O ATOM 23 CB PRO A 1 5.211 -2.534 0.950 1.00 0.00 C ATOM 24 CG PRO A 1 3.905 -3.235 0.595 1.00 0.00 C ATOM 25 CD PRO A 1 2.969 -2.095 0.190 1.00 0.00 C ATOM 0 HA PRO A 1 5.917 -0.508 0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.059 -3.210 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.203 -2.192 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.043 -3.946 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.509 -3.794 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.314 -2.388 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.328 -1.792 1.017 1.00 0.00 H new ATOM 33 N VAL A 2 7.410 -1.361 -1.364 1.00 0.00 N ATOM 34 CA VAL A 2 8.307 -1.672 -2.522 1.00 0.00 C ATOM 35 C VAL A 2 8.838 -3.150 -2.493 1.00 0.00 C ATOM 36 O VAL A 2 9.211 -3.685 -1.445 1.00 0.00 O ATOM 37 CB VAL A 2 9.476 -0.633 -2.665 1.00 0.00 C ATOM 38 CG1 VAL A 2 8.994 0.786 -3.039 1.00 0.00 C ATOM 39 CG2 VAL A 2 10.434 -0.534 -1.455 1.00 0.00 C ATOM 0 H VAL A 2 7.878 -0.870 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 2 7.690 -1.581 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 2 10.048 -1.054 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.853 1.452 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.468 0.752 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.320 1.157 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.202 0.212 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.871 -0.242 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.904 -1.502 -1.283 1.00 0.00 H new ATOM 49 N ASP A 3 8.908 -3.814 -3.662 1.00 0.00 N ATOM 50 CA ASP A 3 9.488 -5.181 -3.775 1.00 0.00 C ATOM 51 C ASP A 3 11.045 -5.134 -3.879 1.00 0.00 C ATOM 52 O ASP A 3 11.613 -4.898 -4.949 1.00 0.00 O ATOM 53 CB ASP A 3 8.805 -5.879 -4.981 1.00 0.00 C ATOM 54 CG ASP A 3 7.423 -6.488 -4.717 1.00 0.00 C ATOM 55 OD1 ASP A 3 7.120 -7.631 -5.046 1.00 0.00 O ATOM 56 OD2 ASP A 3 6.580 -5.621 -4.080 1.00 0.00 O ATOM 0 H ASP A 3 8.572 -3.432 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 3 9.292 -5.765 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.711 -5.153 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.465 -6.669 -5.338 1.00 0.00 H new ATOM 62 N PHE A 4 11.723 -5.399 -2.750 1.00 0.00 N ATOM 63 CA PHE A 4 13.217 -5.449 -2.693 1.00 0.00 C ATOM 64 C PHE A 4 13.947 -6.676 -3.349 1.00 0.00 C ATOM 65 O PHE A 4 15.180 -6.702 -3.351 1.00 0.00 O ATOM 66 CB PHE A 4 13.654 -5.310 -1.207 1.00 0.00 C ATOM 67 CG PHE A 4 13.314 -4.020 -0.438 1.00 0.00 C ATOM 68 CD1 PHE A 4 13.843 -2.790 -0.841 1.00 0.00 C ATOM 69 CD2 PHE A 4 12.541 -4.082 0.724 1.00 0.00 C ATOM 70 CE1 PHE A 4 13.592 -1.637 -0.100 1.00 0.00 C ATOM 71 CE2 PHE A 4 12.300 -2.931 1.468 1.00 0.00 C ATOM 72 CZ PHE A 4 12.820 -1.709 1.055 1.00 0.00 C ATOM 0 H PHE A 4 11.270 -5.584 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 4 13.536 -4.619 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.216 -6.144 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.736 -5.437 -1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 4 14.450 -2.733 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.129 -5.027 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.996 -0.689 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.707 -2.987 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.625 -0.816 1.631 1.00 0.00 H new ATOM 82 N ASN A 5 13.233 -7.672 -3.904 1.00 0.00 N ATOM 83 CA ASN A 5 13.808 -8.950 -4.406 1.00 0.00 C ATOM 84 C ASN A 5 14.936 -8.817 -5.485 1.00 0.00 C ATOM 85 O ASN A 5 14.670 -8.407 -6.620 1.00 0.00 O ATOM 86 CB ASN A 5 12.626 -9.777 -4.999 1.00 0.00 C ATOM 87 CG ASN A 5 11.505 -10.147 -4.026 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.624 -9.349 -3.721 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.550 -11.324 -3.467 1.00 0.00 N ATOM 0 H ASN A 5 12.221 -7.618 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 5 14.299 -9.428 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.191 -9.211 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.030 -10.697 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.851 -11.586 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.285 -11.983 -3.725 1.00 0.00 H new ATOM 96 N GLY A 6 16.184 -9.184 -5.140 1.00 0.00 N ATOM 97 CA GLY A 6 17.308 -9.123 -6.110 1.00 0.00 C ATOM 98 C GLY A 6 18.713 -8.991 -5.496 1.00 0.00 C ATOM 99 O GLY A 6 18.952 -9.288 -4.322 1.00 0.00 O ATOM 0 H GLY A 6 16.444 -9.522 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.283 -10.023 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.142 -8.277 -6.777 1.00 0.00 H new ATOM 103 N TYR A 7 19.654 -8.561 -6.347 1.00 0.00 N ATOM 104 CA TYR A 7 21.080 -8.372 -5.974 1.00 0.00 C ATOM 105 C TYR A 7 21.487 -6.898 -6.302 1.00 0.00 C ATOM 106 O TYR A 7 21.266 -6.405 -7.416 1.00 0.00 O ATOM 107 CB TYR A 7 21.929 -9.440 -6.725 1.00 0.00 C ATOM 108 CG TYR A 7 23.300 -9.769 -6.100 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.377 -8.882 -6.193 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.493 -11.005 -5.470 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.626 -9.231 -5.687 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.735 -11.339 -4.934 1.00 0.00 C ATOM 113 CZ TYR A 7 25.799 -10.451 -5.041 1.00 0.00 C ATOM 114 OH TYR A 7 27.021 -10.769 -4.515 1.00 0.00 O ATOM 0 H TYR A 7 19.456 -8.331 -7.321 1.00 0.00 H new ATOM 0 HA TYR A 7 21.254 -8.518 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.349 -10.361 -6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.090 -9.096 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.239 -7.919 -6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.673 -11.704 -5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.461 -8.555 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.871 -12.287 -4.436 1.00 0.00 H new ATOM 0 HH TYR A 7 26.977 -11.654 -4.097 1.00 0.00 H new ATOM 124 N TRP A 8 22.060 -6.198 -5.314 1.00 0.00 N ATOM 125 CA TRP A 8 22.243 -4.721 -5.359 1.00 0.00 C ATOM 126 C TRP A 8 23.733 -4.369 -5.031 1.00 0.00 C ATOM 127 O TRP A 8 24.244 -4.756 -3.976 1.00 0.00 O ATOM 128 CB TRP A 8 21.265 -4.046 -4.346 1.00 0.00 C ATOM 129 CG TRP A 8 19.759 -4.362 -4.461 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.110 -5.483 -3.885 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.751 -3.638 -5.076 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.733 -5.493 -4.160 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.530 -4.336 -4.883 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.762 -2.391 -5.750 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.317 -3.795 -5.360 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.546 -1.868 -6.198 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.345 -2.562 -6.015 1.00 0.00 C ATOM 0 H TRP A 8 22.412 -6.628 -4.459 1.00 0.00 H new ATOM 0 HA TRP A 8 22.016 -4.345 -6.357 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.586 -4.320 -3.341 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.386 -2.966 -4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.615 -6.240 -3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.043 -6.193 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.687 -1.858 -5.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.386 -4.324 -5.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.533 -0.909 -6.695 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.424 -2.137 -6.386 1.00 0.00 H new ATOM 148 N LYS A 9 24.427 -3.617 -5.904 1.00 0.00 N ATOM 149 CA LYS A 9 25.840 -3.171 -5.673 1.00 0.00 C ATOM 150 C LYS A 9 25.933 -1.729 -5.074 1.00 0.00 C ATOM 151 O LYS A 9 25.189 -0.847 -5.511 1.00 0.00 O ATOM 152 CB LYS A 9 26.639 -3.288 -7.006 1.00 0.00 C ATOM 153 CG LYS A 9 26.238 -2.343 -8.173 1.00 0.00 C ATOM 154 CD LYS A 9 27.152 -2.470 -9.410 1.00 0.00 C ATOM 155 CE LYS A 9 26.782 -1.525 -10.570 1.00 0.00 C ATOM 156 NZ LYS A 9 25.554 -1.938 -11.275 1.00 0.00 N ATOM 0 H LYS A 9 24.039 -3.295 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 9 26.283 -3.828 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.692 -3.117 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.551 -4.315 -7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.210 -2.557 -8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.260 -1.312 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.181 -2.272 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.117 -3.499 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.650 -0.515 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.608 -1.488 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.306 -1.223 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.713 -2.853 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.775 -2.030 -10.592 1.00 0.00 H new ATOM 169 N MET A 10 26.860 -1.446 -4.133 1.00 0.00 N ATOM 170 CA MET A 10 27.030 -0.066 -3.582 1.00 0.00 C ATOM 171 C MET A 10 27.613 0.950 -4.625 1.00 0.00 C ATOM 172 O MET A 10 28.698 0.757 -5.183 1.00 0.00 O ATOM 173 CB MET A 10 27.878 -0.106 -2.284 1.00 0.00 C ATOM 174 CG MET A 10 27.926 1.242 -1.523 1.00 0.00 C ATOM 175 SD MET A 10 29.104 1.176 -0.166 1.00 0.00 S ATOM 176 CE MET A 10 28.016 0.672 1.169 1.00 0.00 C ATOM 0 H MET A 10 27.498 -2.137 -3.738 1.00 0.00 H new ATOM 0 HA MET A 10 26.035 0.306 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.474 -0.872 -1.622 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.895 -0.406 -2.536 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.202 2.042 -2.210 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.935 1.481 -1.137 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.544 0.754 2.119 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.137 1.317 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.705 -0.361 1.015 1.00 0.00 H new ATOM 186 N LEU A 11 26.896 2.068 -4.813 1.00 0.00 N ATOM 187 CA LEU A 11 27.419 3.267 -5.525 1.00 0.00 C ATOM 188 C LEU A 11 28.215 4.232 -4.584 1.00 0.00 C ATOM 189 O LEU A 11 29.351 4.584 -4.909 1.00 0.00 O ATOM 190 CB LEU A 11 26.250 4.016 -6.231 1.00 0.00 C ATOM 191 CG LEU A 11 25.461 3.290 -7.352 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.358 4.228 -7.876 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.344 2.835 -8.528 1.00 0.00 C ATOM 0 H LEU A 11 25.938 2.177 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 11 28.129 2.917 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.535 4.309 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.656 4.934 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 11 25.038 2.387 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.798 3.726 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.683 4.487 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.811 5.136 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.727 2.335 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.826 3.703 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.105 2.144 -8.165 1.00 0.00 H new ATOM 205 N SER A 12 27.629 4.683 -3.452 1.00 0.00 N ATOM 206 CA SER A 12 28.299 5.612 -2.497 1.00 0.00 C ATOM 207 C SER A 12 27.957 5.298 -1.004 1.00 0.00 C ATOM 208 O SER A 12 26.869 4.805 -0.678 1.00 0.00 O ATOM 209 CB SER A 12 27.954 7.076 -2.876 1.00 0.00 C ATOM 210 OG SER A 12 26.569 7.374 -2.701 1.00 0.00 O ATOM 0 H SER A 12 26.685 4.419 -3.171 1.00 0.00 H new ATOM 0 HA SER A 12 29.376 5.467 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.549 7.756 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.232 7.254 -3.915 1.00 0.00 H new ATOM 0 HG SER A 12 26.401 8.307 -2.951 1.00 0.00 H new ATOM 216 N ASN A 13 28.902 5.611 -0.099 1.00 0.00 N ATOM 217 CA ASN A 13 28.745 5.425 1.374 1.00 0.00 C ATOM 218 C ASN A 13 29.028 6.764 2.133 1.00 0.00 C ATOM 219 O ASN A 13 30.139 7.036 2.596 1.00 0.00 O ATOM 220 CB ASN A 13 29.569 4.190 1.851 1.00 0.00 C ATOM 221 CG ASN A 13 31.058 4.069 1.462 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.770 5.032 1.200 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.578 2.867 1.395 1.00 0.00 N ATOM 0 H ASN A 13 29.806 6.004 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 13 27.711 5.186 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.513 4.162 2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.062 3.298 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.556 2.748 1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.005 2.051 1.609 1.00 0.00 H new ATOM 230 N GLU A 14 28.004 7.629 2.245 1.00 0.00 N ATOM 231 CA GLU A 14 28.185 9.061 2.610 1.00 0.00 C ATOM 232 C GLU A 14 28.022 9.261 4.143 1.00 0.00 C ATOM 233 O GLU A 14 26.968 8.954 4.710 1.00 0.00 O ATOM 234 CB GLU A 14 27.171 9.939 1.820 1.00 0.00 C ATOM 235 CG GLU A 14 27.219 9.874 0.271 1.00 0.00 C ATOM 236 CD GLU A 14 28.520 10.361 -0.367 1.00 0.00 C ATOM 237 OE1 GLU A 14 28.705 11.511 -0.750 1.00 0.00 O ATOM 238 OE2 GLU A 14 29.458 9.377 -0.458 1.00 0.00 O ATOM 0 H GLU A 14 27.031 7.366 2.088 1.00 0.00 H new ATOM 0 HA GLU A 14 29.195 9.371 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 14 26.166 9.659 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 14 27.322 10.977 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.047 8.843 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 14 26.395 10.467 -0.126 1.00 0.00 H new ATOM 246 N ASN A 15 29.083 9.748 4.819 1.00 0.00 N ATOM 247 CA ASN A 15 29.164 9.788 6.319 1.00 0.00 C ATOM 248 C ASN A 15 29.143 8.395 7.067 1.00 0.00 C ATOM 249 O ASN A 15 28.840 8.320 8.263 1.00 0.00 O ATOM 250 CB ASN A 15 28.178 10.880 6.840 1.00 0.00 C ATOM 251 CG ASN A 15 28.478 11.439 8.230 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.580 11.890 8.521 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.519 11.458 9.121 1.00 0.00 N ATOM 0 H ASN A 15 29.910 10.126 4.357 1.00 0.00 H new ATOM 0 HA ASN A 15 30.175 10.089 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.173 11.707 6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.172 10.460 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.692 11.846 10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.599 11.085 8.888 1.00 0.00 H new ATOM 260 N PHE A 16 29.554 7.304 6.387 1.00 0.00 N ATOM 261 CA PHE A 16 29.612 5.937 6.973 1.00 0.00 C ATOM 262 C PHE A 16 30.713 5.726 8.068 1.00 0.00 C ATOM 263 O PHE A 16 30.370 5.191 9.123 1.00 0.00 O ATOM 264 CB PHE A 16 29.619 4.938 5.781 1.00 0.00 C ATOM 265 CG PHE A 16 29.580 3.429 6.094 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.601 2.889 6.936 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.488 2.570 5.466 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.548 1.516 7.167 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.421 1.195 5.680 1.00 0.00 C ATOM 270 CZ PHE A 16 29.455 0.670 6.534 1.00 0.00 C ATOM 0 H PHE A 16 29.857 7.340 5.414 1.00 0.00 H new ATOM 0 HA PHE A 16 28.728 5.750 7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 16 28.762 5.169 5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.514 5.132 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 16 27.882 3.541 7.410 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.245 2.975 4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.805 1.108 7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 16 31.118 0.536 5.183 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.409 -0.395 6.706 1.00 0.00 H new ATOM 280 N GLU A 17 31.975 6.187 7.904 1.00 0.00 N ATOM 281 CA GLU A 17 32.972 6.210 9.030 1.00 0.00 C ATOM 282 C GLU A 17 32.568 6.975 10.335 1.00 0.00 C ATOM 283 O GLU A 17 32.844 6.462 11.424 1.00 0.00 O ATOM 284 CB GLU A 17 34.368 6.678 8.531 1.00 0.00 C ATOM 285 CG GLU A 17 35.104 5.604 7.704 1.00 0.00 C ATOM 286 CD GLU A 17 36.500 5.943 7.183 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.011 7.059 7.218 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.113 4.843 6.656 1.00 0.00 O ATOM 0 H GLU A 17 32.335 6.546 7.020 1.00 0.00 H new ATOM 0 HA GLU A 17 33.003 5.168 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.249 7.576 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 17 34.982 6.951 9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.183 4.705 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.478 5.353 6.848 1.00 0.00 H new ATOM 296 N GLU A 18 31.903 8.146 10.258 1.00 0.00 N ATOM 297 CA GLU A 18 31.293 8.800 11.456 1.00 0.00 C ATOM 298 C GLU A 18 30.110 7.996 12.111 1.00 0.00 C ATOM 299 O GLU A 18 30.074 7.865 13.337 1.00 0.00 O ATOM 300 CB GLU A 18 30.917 10.252 11.060 1.00 0.00 C ATOM 301 CG GLU A 18 30.712 11.218 12.252 1.00 0.00 C ATOM 302 CD GLU A 18 30.412 12.655 11.832 1.00 0.00 C ATOM 303 OE1 GLU A 18 31.257 13.542 11.787 1.00 0.00 O ATOM 304 OE2 GLU A 18 29.100 12.849 11.516 1.00 0.00 O ATOM 0 H GLU A 18 31.770 8.663 9.389 1.00 0.00 H new ATOM 0 HA GLU A 18 32.029 8.816 12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.700 10.653 10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.001 10.227 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.892 10.851 12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.608 11.210 12.873 1.00 0.00 H new ATOM 312 N TYR A 19 29.182 7.427 11.313 1.00 0.00 N ATOM 313 CA TYR A 19 28.196 6.408 11.785 1.00 0.00 C ATOM 314 C TYR A 19 28.819 5.119 12.428 1.00 0.00 C ATOM 315 O TYR A 19 28.384 4.723 13.509 1.00 0.00 O ATOM 316 CB TYR A 19 27.236 6.129 10.594 1.00 0.00 C ATOM 317 CG TYR A 19 26.233 4.975 10.774 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.062 5.150 11.516 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.541 3.708 10.261 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.219 4.065 11.752 1.00 0.00 C ATOM 321 CE2 TYR A 19 25.687 2.633 10.489 1.00 0.00 C ATOM 322 CZ TYR A 19 24.529 2.813 11.235 1.00 0.00 C ATOM 323 OH TYR A 19 23.685 1.757 11.454 1.00 0.00 O ATOM 0 H TYR A 19 29.088 7.655 10.323 1.00 0.00 H new ATOM 0 HA TYR A 19 27.642 6.810 12.633 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.674 7.040 10.389 1.00 0.00 H new ATOM 0 HB3 TYR A 19 27.840 5.921 9.711 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.810 6.125 11.906 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.444 3.565 9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.322 4.198 12.339 1.00 0.00 H new ATOM 0 HE2 TYR A 19 25.924 1.659 10.086 1.00 0.00 H new ATOM 0 HH TYR A 19 24.047 0.954 11.024 1.00 0.00 H new ATOM 333 N LEU A 20 29.822 4.478 11.803 1.00 0.00 N ATOM 334 CA LEU A 20 30.615 3.391 12.445 1.00 0.00 C ATOM 335 C LEU A 20 31.342 3.808 13.773 1.00 0.00 C ATOM 336 O LEU A 20 31.254 3.079 14.764 1.00 0.00 O ATOM 337 CB LEU A 20 31.607 2.799 11.405 1.00 0.00 C ATOM 338 CG LEU A 20 31.039 2.063 10.159 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.171 1.761 9.161 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.322 0.749 10.506 1.00 0.00 C ATOM 0 H LEU A 20 30.111 4.689 10.848 1.00 0.00 H new ATOM 0 HA LEU A 20 29.906 2.626 12.762 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.236 3.615 11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.259 2.101 11.931 1.00 0.00 H new ATOM 0 HG LEU A 20 30.302 2.735 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.762 1.245 8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.635 2.695 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.919 1.129 9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.949 0.286 9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.021 0.072 10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.486 0.956 11.175 1.00 0.00 H new ATOM 352 N ARG A 21 31.985 4.991 13.845 1.00 0.00 N ATOM 353 CA ARG A 21 32.443 5.590 15.136 1.00 0.00 C ATOM 354 C ARG A 21 31.333 5.776 16.230 1.00 0.00 C ATOM 355 O ARG A 21 31.515 5.321 17.363 1.00 0.00 O ATOM 356 CB ARG A 21 33.208 6.894 14.789 1.00 0.00 C ATOM 357 CG ARG A 21 33.950 7.557 15.964 1.00 0.00 C ATOM 358 CD ARG A 21 33.105 8.625 16.686 1.00 0.00 C ATOM 359 NE ARG A 21 33.966 9.393 17.611 1.00 0.00 N ATOM 360 CZ ARG A 21 34.122 9.152 18.913 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.503 8.196 19.574 1.00 0.00 N ATOM 362 NH2 ARG A 21 34.950 9.912 19.575 1.00 0.00 N ATOM 0 H ARG A 21 32.204 5.560 13.027 1.00 0.00 H new ATOM 0 HA ARG A 21 33.105 4.880 15.632 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.931 6.673 14.003 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.499 7.612 14.377 1.00 0.00 H new ATOM 0 HG2 ARG A 21 34.244 6.790 16.680 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.867 8.016 15.594 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.647 9.295 15.958 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.293 8.150 17.237 1.00 0.00 H new ATOM 0 HE ARG A 21 34.487 10.177 17.218 1.00 0.00 H new ATOM 0 HH11 ARG A 21 32.852 7.579 19.088 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.674 8.073 20.572 1.00 0.00 H new ATOM 0 HH21 ARG A 21 35.451 10.659 19.095 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.096 9.759 20.573 1.00 0.00 H new ATOM 376 N ALA A 22 30.175 6.370 15.888 1.00 0.00 N ATOM 377 CA ALA A 22 28.937 6.291 16.715 1.00 0.00 C ATOM 378 C ALA A 22 28.391 4.874 17.113 1.00 0.00 C ATOM 379 O ALA A 22 27.680 4.762 18.115 1.00 0.00 O ATOM 380 CB ALA A 22 27.874 7.078 15.931 1.00 0.00 C ATOM 0 H ALA A 22 30.062 6.918 15.035 1.00 0.00 H new ATOM 0 HA ALA A 22 29.189 6.699 17.694 1.00 0.00 H new ATOM 0 HB1 ALA A 22 26.932 7.064 16.480 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.205 8.109 15.804 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.730 6.620 14.952 1.00 0.00 H new ATOM 386 N LEU A 23 28.756 3.804 16.383 1.00 0.00 N ATOM 387 CA LEU A 23 28.537 2.400 16.839 1.00 0.00 C ATOM 388 C LEU A 23 29.741 1.766 17.634 1.00 0.00 C ATOM 389 O LEU A 23 29.772 0.548 17.826 1.00 0.00 O ATOM 390 CB LEU A 23 28.139 1.549 15.598 1.00 0.00 C ATOM 391 CG LEU A 23 26.797 1.882 14.888 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.648 1.014 13.632 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.553 1.673 15.769 1.00 0.00 C ATOM 0 H LEU A 23 29.206 3.875 15.470 1.00 0.00 H new ATOM 0 HA LEU A 23 27.732 2.410 17.574 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.938 1.637 14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.104 0.504 15.906 1.00 0.00 H new ATOM 0 HG LEU A 23 26.846 2.943 14.644 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.706 1.250 13.136 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.476 1.213 12.952 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.656 -0.039 13.914 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.658 1.927 15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.500 0.630 16.083 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.618 2.313 16.649 1.00 0.00 H new ATOM 405 N ASP A 24 30.716 2.565 18.134 1.00 0.00 N ATOM 406 CA ASP A 24 31.950 2.060 18.825 1.00 0.00 C ATOM 407 C ASP A 24 32.889 1.130 17.974 1.00 0.00 C ATOM 408 O ASP A 24 33.441 0.147 18.478 1.00 0.00 O ATOM 409 CB ASP A 24 31.596 1.506 20.243 1.00 0.00 C ATOM 410 CG ASP A 24 31.213 2.518 21.327 1.00 0.00 C ATOM 411 OD1 ASP A 24 31.529 2.390 22.506 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.478 3.558 20.837 1.00 0.00 O ATOM 0 H ASP A 24 30.677 3.583 18.074 1.00 0.00 H new ATOM 0 HA ASP A 24 32.593 2.930 18.959 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.769 0.804 20.132 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.452 0.936 20.604 1.00 0.00 H new ATOM 418 N VAL A 25 33.127 1.482 16.697 1.00 0.00 N ATOM 419 CA VAL A 25 33.984 0.671 15.781 1.00 0.00 C ATOM 420 C VAL A 25 35.459 1.200 15.811 1.00 0.00 C ATOM 421 O VAL A 25 35.725 2.407 15.786 1.00 0.00 O ATOM 422 CB VAL A 25 33.363 0.659 14.342 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.195 -0.112 13.296 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.947 0.039 14.279 1.00 0.00 C ATOM 0 H VAL A 25 32.742 2.322 16.266 1.00 0.00 H new ATOM 0 HA VAL A 25 34.018 -0.364 16.120 1.00 0.00 H new ATOM 0 HB VAL A 25 33.339 1.723 14.104 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.693 -0.070 12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.183 0.340 13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.297 -1.152 13.607 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.583 0.066 13.252 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.987 -0.995 14.623 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.272 0.608 14.918 1.00 0.00 H new ATOM 434 N ASN A 26 36.423 0.264 15.793 1.00 0.00 N ATOM 435 CA ASN A 26 37.871 0.580 15.643 1.00 0.00 C ATOM 436 C ASN A 26 38.279 1.208 14.261 1.00 0.00 C ATOM 437 O ASN A 26 37.631 0.985 13.233 1.00 0.00 O ATOM 438 CB ASN A 26 38.674 -0.709 15.994 1.00 0.00 C ATOM 439 CG ASN A 26 38.569 -1.893 15.015 1.00 0.00 C ATOM 440 OD1 ASN A 26 39.123 -1.877 13.922 1.00 0.00 O ATOM 441 ND2 ASN A 26 37.864 -2.943 15.359 1.00 0.00 N ATOM 0 H ASN A 26 36.231 -0.734 15.881 1.00 0.00 H new ATOM 0 HA ASN A 26 38.119 1.383 16.338 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.726 -0.438 16.084 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.348 -1.053 16.976 1.00 0.00 H new ATOM 0 HD21 ASN A 26 37.782 -3.734 14.720 1.00 0.00 H new ATOM 0 HD22 ASN A 26 37.398 -2.969 16.266 1.00 0.00 H new ATOM 448 N VAL A 27 39.398 1.957 14.237 1.00 0.00 N ATOM 449 CA VAL A 27 39.930 2.612 12.992 1.00 0.00 C ATOM 450 C VAL A 27 40.238 1.619 11.806 1.00 0.00 C ATOM 451 O VAL A 27 39.895 1.929 10.662 1.00 0.00 O ATOM 452 CB VAL A 27 41.122 3.577 13.342 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.708 4.321 12.116 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.753 4.683 14.366 1.00 0.00 C ATOM 0 H VAL A 27 39.966 2.134 15.065 1.00 0.00 H new ATOM 0 HA VAL A 27 39.121 3.222 12.589 1.00 0.00 H new ATOM 0 HB VAL A 27 41.855 2.889 13.762 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.525 4.967 12.438 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.082 3.595 11.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.929 4.926 11.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.625 5.308 14.557 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.947 5.297 13.964 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.427 4.222 15.298 1.00 0.00 H new ATOM 464 N ALA A 28 40.828 0.432 12.064 1.00 0.00 N ATOM 465 CA ALA A 28 41.006 -0.629 11.035 1.00 0.00 C ATOM 466 C ALA A 28 39.701 -1.143 10.341 1.00 0.00 C ATOM 467 O ALA A 28 39.649 -1.125 9.112 1.00 0.00 O ATOM 468 CB ALA A 28 41.834 -1.758 11.676 1.00 0.00 C ATOM 0 H ALA A 28 41.193 0.178 12.982 1.00 0.00 H new ATOM 0 HA ALA A 28 41.534 -0.186 10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.985 -2.556 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.801 -1.366 11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.303 -2.152 12.542 1.00 0.00 H new ATOM 474 N LEU A 29 38.640 -1.534 11.076 1.00 0.00 N ATOM 475 CA LEU A 29 37.306 -1.846 10.471 1.00 0.00 C ATOM 476 C LEU A 29 36.554 -0.620 9.850 1.00 0.00 C ATOM 477 O LEU A 29 35.987 -0.767 8.767 1.00 0.00 O ATOM 478 CB LEU A 29 36.468 -2.650 11.506 1.00 0.00 C ATOM 479 CG LEU A 29 35.245 -3.449 10.960 1.00 0.00 C ATOM 480 CD1 LEU A 29 34.925 -4.618 11.906 1.00 0.00 C ATOM 481 CD2 LEU A 29 33.953 -2.638 10.757 1.00 0.00 C ATOM 0 H LEU A 29 38.670 -1.645 12.090 1.00 0.00 H new ATOM 0 HA LEU A 29 37.473 -2.466 9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.134 -3.352 12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.107 -1.954 12.263 1.00 0.00 H new ATOM 0 HG LEU A 29 35.558 -3.780 9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 29 34.070 -5.174 11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 29 35.789 -5.280 11.971 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.689 -4.230 12.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 33.169 -3.292 10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 29 33.638 -2.212 11.709 1.00 0.00 H new ATOM 0 HD23 LEU A 29 34.136 -1.835 10.043 1.00 0.00 H new ATOM 493 N ARG A 30 36.582 0.589 10.453 1.00 0.00 N ATOM 494 CA ARG A 30 36.203 1.860 9.749 1.00 0.00 C ATOM 495 C ARG A 30 36.861 2.108 8.348 1.00 0.00 C ATOM 496 O ARG A 30 36.172 2.532 7.412 1.00 0.00 O ATOM 497 CB ARG A 30 36.459 3.052 10.713 1.00 0.00 C ATOM 498 CG ARG A 30 35.335 3.307 11.748 1.00 0.00 C ATOM 499 CD ARG A 30 35.769 4.077 13.007 1.00 0.00 C ATOM 500 NE ARG A 30 36.176 5.473 12.707 1.00 0.00 N ATOM 501 CZ ARG A 30 36.803 6.280 13.559 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.134 5.947 14.789 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.104 7.481 13.149 1.00 0.00 N ATOM 0 H ARG A 30 36.861 0.724 11.425 1.00 0.00 H new ATOM 0 HA ARG A 30 35.146 1.761 9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.392 2.874 11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.599 3.956 10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.533 3.861 11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 30 34.919 2.347 12.054 1.00 0.00 H new ATOM 0 HD2 ARG A 30 34.948 4.087 13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.599 3.554 13.481 1.00 0.00 H new ATOM 0 HE ARG A 30 35.959 5.840 11.780 1.00 0.00 H new ATOM 0 HH11 ARG A 30 36.910 5.017 15.143 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.615 6.619 15.387 1.00 0.00 H new ATOM 0 HH21 ARG A 30 36.859 7.773 12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.585 8.128 13.774 1.00 0.00 H new ATOM 517 N LYS A 31 38.166 1.832 8.187 1.00 0.00 N ATOM 518 CA LYS A 31 38.818 1.762 6.851 1.00 0.00 C ATOM 519 C LYS A 31 38.425 0.483 6.035 1.00 0.00 C ATOM 520 O LYS A 31 37.946 0.633 4.907 1.00 0.00 O ATOM 521 CB LYS A 31 40.351 1.993 6.997 1.00 0.00 C ATOM 522 CG LYS A 31 40.808 3.476 6.962 1.00 0.00 C ATOM 523 CD LYS A 31 40.238 4.354 8.099 1.00 0.00 C ATOM 524 CE LYS A 31 40.775 5.794 8.162 1.00 0.00 C ATOM 525 NZ LYS A 31 40.188 6.643 7.104 1.00 0.00 N ATOM 0 H LYS A 31 38.800 1.652 8.965 1.00 0.00 H new ATOM 0 HA LYS A 31 38.431 2.574 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.680 1.552 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.860 1.455 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 31 41.897 3.508 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.516 3.910 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.154 4.394 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 31 40.448 3.865 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.552 6.223 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.860 5.783 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.611 7.592 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.379 6.220 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.160 6.715 7.247 1.00 0.00 H new ATOM 538 N ILE A 32 38.539 -0.752 6.574 1.00 0.00 N ATOM 539 CA ILE A 32 38.174 -2.016 5.842 1.00 0.00 C ATOM 540 C ILE A 32 36.610 -2.285 5.876 1.00 0.00 C ATOM 541 O ILE A 32 36.112 -3.320 6.326 1.00 0.00 O ATOM 542 CB ILE A 32 39.041 -3.235 6.346 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.572 -2.995 6.563 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.908 -4.450 5.389 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.200 -3.935 7.609 1.00 0.00 C ATOM 0 H ILE A 32 38.883 -0.915 7.520 1.00 0.00 H new ATOM 0 HA ILE A 32 38.421 -1.886 4.788 1.00 0.00 H new ATOM 0 HB ILE A 32 38.615 -3.412 7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.090 -3.124 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.729 -1.962 6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.516 -5.275 5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.865 -4.762 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.250 -4.168 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.262 -3.712 7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.708 -3.790 8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.075 -4.970 7.290 1.00 0.00 H new ATOM 557 N ALA A 33 35.855 -1.308 5.356 1.00 0.00 N ATOM 558 CA ALA A 33 34.368 -1.287 5.290 1.00 0.00 C ATOM 559 C ALA A 33 33.878 -0.067 4.452 1.00 0.00 C ATOM 560 O ALA A 33 33.115 -0.243 3.500 1.00 0.00 O ATOM 561 CB ALA A 33 33.675 -1.338 6.672 1.00 0.00 C ATOM 0 H ALA A 33 36.271 -0.470 4.950 1.00 0.00 H new ATOM 0 HA ALA A 33 34.072 -2.208 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.593 -1.319 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.960 -2.254 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.982 -0.477 7.265 1.00 0.00 H new ATOM 567 N ASN A 34 34.341 1.161 4.767 1.00 0.00 N ATOM 568 CA ASN A 34 34.220 2.332 3.854 1.00 0.00 C ATOM 569 C ASN A 34 35.047 2.255 2.524 1.00 0.00 C ATOM 570 O ASN A 34 34.575 2.728 1.488 1.00 0.00 O ATOM 571 CB ASN A 34 34.585 3.594 4.680 1.00 0.00 C ATOM 572 CG ASN A 34 33.899 4.887 4.234 1.00 0.00 C ATOM 573 OD1 ASN A 34 32.785 5.187 4.639 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.537 5.725 3.460 1.00 0.00 N ATOM 0 H ASN A 34 34.805 1.374 5.650 1.00 0.00 H new ATOM 0 HA ASN A 34 33.192 2.359 3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.333 3.410 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.664 3.740 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.105 6.612 3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.467 5.491 3.113 1.00 0.00 H new ATOM 581 N LEU A 35 36.263 1.676 2.555 1.00 0.00 N ATOM 582 CA LEU A 35 37.108 1.483 1.337 1.00 0.00 C ATOM 583 C LEU A 35 36.649 0.340 0.369 1.00 0.00 C ATOM 584 O LEU A 35 36.867 0.458 -0.840 1.00 0.00 O ATOM 585 CB LEU A 35 38.592 1.285 1.765 1.00 0.00 C ATOM 586 CG LEU A 35 39.294 2.451 2.519 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.683 2.002 3.002 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.434 3.721 1.661 1.00 0.00 C ATOM 0 H LEU A 35 36.694 1.328 3.412 1.00 0.00 H new ATOM 0 HA LEU A 35 36.990 2.392 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.642 0.399 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.173 1.069 0.868 1.00 0.00 H new ATOM 0 HG LEU A 35 38.660 2.703 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.168 2.824 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.577 1.152 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.290 1.712 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.931 4.499 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.025 3.497 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.445 4.068 1.361 1.00 0.00 H new ATOM 600 N LEU A 36 36.019 -0.740 0.872 1.00 0.00 N ATOM 601 CA LEU A 36 35.306 -1.726 0.011 1.00 0.00 C ATOM 602 C LEU A 36 33.845 -1.268 -0.318 1.00 0.00 C ATOM 603 O LEU A 36 33.193 -0.577 0.472 1.00 0.00 O ATOM 604 CB LEU A 36 35.460 -3.181 0.547 1.00 0.00 C ATOM 605 CG LEU A 36 35.048 -3.501 2.003 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.527 -3.506 2.219 1.00 0.00 C ATOM 607 CD2 LEU A 36 35.644 -4.844 2.460 1.00 0.00 C ATOM 0 H LEU A 36 35.985 -0.958 1.868 1.00 0.00 H new ATOM 0 HA LEU A 36 35.793 -1.754 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.882 -3.834 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.507 -3.462 0.434 1.00 0.00 H new ATOM 0 HG LEU A 36 35.454 -2.693 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 36 33.308 -3.737 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.121 -2.525 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.071 -4.259 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 36 35.340 -5.046 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.283 -5.642 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.732 -4.796 2.406 1.00 0.00 H new ATOM 619 N LYS A 37 33.327 -1.659 -1.495 1.00 0.00 N ATOM 620 CA LYS A 37 31.913 -1.388 -1.886 1.00 0.00 C ATOM 621 C LYS A 37 31.095 -2.722 -1.753 1.00 0.00 C ATOM 622 O LYS A 37 31.129 -3.523 -2.696 1.00 0.00 O ATOM 623 CB LYS A 37 31.872 -0.757 -3.310 1.00 0.00 C ATOM 624 CG LYS A 37 32.400 0.696 -3.444 1.00 0.00 C ATOM 625 CD LYS A 37 31.495 1.778 -2.807 1.00 0.00 C ATOM 626 CE LYS A 37 32.091 3.197 -2.808 1.00 0.00 C ATOM 627 NZ LYS A 37 32.067 3.816 -4.148 1.00 0.00 N ATOM 0 H LYS A 37 33.860 -2.166 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 37 31.446 -0.658 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.451 -1.392 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.841 -0.778 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.387 0.752 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.526 0.925 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.545 1.797 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.277 1.491 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.533 3.823 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.119 3.157 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.667 4.665 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.425 3.138 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.091 4.082 -4.390 1.00 0.00 H new ATOM 640 N PRO A 38 30.381 -3.037 -0.625 1.00 0.00 N ATOM 641 CA PRO A 38 29.689 -4.342 -0.452 1.00 0.00 C ATOM 642 C PRO A 38 28.368 -4.494 -1.272 1.00 0.00 C ATOM 643 O PRO A 38 27.884 -3.564 -1.931 1.00 0.00 O ATOM 644 CB PRO A 38 29.509 -4.377 1.082 1.00 0.00 C ATOM 645 CG PRO A 38 29.315 -2.919 1.489 1.00 0.00 C ATOM 646 CD PRO A 38 30.270 -2.168 0.563 1.00 0.00 C ATOM 0 HA PRO A 38 30.246 -5.192 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.649 -4.984 1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.380 -4.811 1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.283 -2.596 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.562 -2.758 2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.880 -1.184 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.240 -2.011 1.034 1.00 0.00 H new ATOM 654 N ASP A 39 27.813 -5.712 -1.249 1.00 0.00 N ATOM 655 CA ASP A 39 26.658 -6.084 -2.109 1.00 0.00 C ATOM 656 C ASP A 39 25.474 -6.607 -1.243 1.00 0.00 C ATOM 657 O ASP A 39 25.640 -7.484 -0.394 1.00 0.00 O ATOM 658 CB ASP A 39 27.107 -7.127 -3.161 1.00 0.00 C ATOM 659 CG ASP A 39 28.046 -6.582 -4.240 1.00 0.00 C ATOM 660 OD1 ASP A 39 27.660 -6.116 -5.307 1.00 0.00 O ATOM 661 OD2 ASP A 39 29.356 -6.658 -3.874 1.00 0.00 O ATOM 0 H ASP A 39 28.139 -6.467 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 39 26.301 -5.200 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.604 -7.950 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.222 -7.541 -3.644 1.00 0.00 H new ATOM 667 N LYS A 40 24.265 -6.079 -1.475 1.00 0.00 N ATOM 668 CA LYS A 40 23.039 -6.525 -0.765 1.00 0.00 C ATOM 669 C LYS A 40 22.253 -7.530 -1.652 1.00 0.00 C ATOM 670 O LYS A 40 21.706 -7.159 -2.691 1.00 0.00 O ATOM 671 CB LYS A 40 22.197 -5.296 -0.331 1.00 0.00 C ATOM 672 CG LYS A 40 22.739 -4.606 0.940 1.00 0.00 C ATOM 673 CD LYS A 40 21.966 -3.323 1.298 1.00 0.00 C ATOM 674 CE LYS A 40 22.540 -2.568 2.508 1.00 0.00 C ATOM 675 NZ LYS A 40 22.181 -3.214 3.788 1.00 0.00 N ATOM 0 H LYS A 40 24.100 -5.335 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 40 23.304 -7.055 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.173 -4.574 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.169 -5.612 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.686 -5.302 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.791 -4.362 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.965 -2.658 0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.927 -3.581 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 40 23.625 -2.516 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.170 -1.543 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 22.501 -2.619 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.149 -3.333 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.640 -4.145 3.848 1.00 0.00 H new ATOM 688 N GLU A 41 22.183 -8.801 -1.231 1.00 0.00 N ATOM 689 CA GLU A 41 21.231 -9.788 -1.814 1.00 0.00 C ATOM 690 C GLU A 41 19.968 -9.864 -0.905 1.00 0.00 C ATOM 691 O GLU A 41 20.038 -10.355 0.228 1.00 0.00 O ATOM 692 CB GLU A 41 21.931 -11.156 -2.010 1.00 0.00 C ATOM 693 CG GLU A 41 21.087 -12.186 -2.803 1.00 0.00 C ATOM 694 CD GLU A 41 21.766 -13.548 -2.930 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.644 -13.791 -3.753 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.290 -14.452 -2.024 1.00 0.00 O ATOM 0 H GLU A 41 22.770 -9.181 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 41 20.904 -9.473 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.876 -10.998 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.171 -11.574 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.123 -12.312 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.887 -11.792 -3.800 1.00 0.00 H new ATOM 704 N ILE A 42 18.825 -9.357 -1.394 1.00 0.00 N ATOM 705 CA ILE A 42 17.583 -9.252 -0.575 1.00 0.00 C ATOM 706 C ILE A 42 16.581 -10.356 -1.042 1.00 0.00 C ATOM 707 O ILE A 42 16.072 -10.319 -2.169 1.00 0.00 O ATOM 708 CB ILE A 42 16.978 -7.802 -0.551 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.995 -6.718 -0.077 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.710 -7.777 0.348 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.559 -5.248 -0.225 1.00 0.00 C ATOM 0 H ILE A 42 18.724 -9.011 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 42 17.826 -9.435 0.472 1.00 0.00 H new ATOM 0 HB ILE A 42 16.716 -7.551 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.223 -6.901 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.922 -6.855 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.294 -6.770 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.969 -8.471 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.977 -8.073 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.352 -4.595 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.363 -5.031 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.653 -5.077 0.356 1.00 0.00 H new ATOM 723 N VAL A 43 16.255 -11.294 -0.134 1.00 0.00 N ATOM 724 CA VAL A 43 15.146 -12.274 -0.336 1.00 0.00 C ATOM 725 C VAL A 43 13.901 -11.734 0.449 1.00 0.00 C ATOM 726 O VAL A 43 13.800 -11.903 1.668 1.00 0.00 O ATOM 727 CB VAL A 43 15.580 -13.725 0.079 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.454 -14.768 -0.116 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.827 -14.256 -0.670 1.00 0.00 C ATOM 0 H VAL A 43 16.741 -11.403 0.756 1.00 0.00 H new ATOM 0 HA VAL A 43 14.883 -12.364 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 43 15.821 -13.612 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.813 -15.752 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.593 -14.492 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.162 -14.796 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.058 -15.263 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.626 -14.278 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.676 -13.601 -0.473 1.00 0.00 H new ATOM 739 N GLN A 44 12.968 -11.074 -0.259 1.00 0.00 N ATOM 740 CA GLN A 44 11.746 -10.468 0.344 1.00 0.00 C ATOM 741 C GLN A 44 10.501 -11.385 0.118 1.00 0.00 C ATOM 742 O GLN A 44 10.063 -11.581 -1.021 1.00 0.00 O ATOM 743 CB GLN A 44 11.624 -9.045 -0.277 1.00 0.00 C ATOM 744 CG GLN A 44 10.443 -8.147 0.182 1.00 0.00 C ATOM 745 CD GLN A 44 9.038 -8.426 -0.372 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.100 -8.693 0.369 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.809 -8.360 -1.660 1.00 0.00 N ATOM 0 H GLN A 44 13.031 -10.940 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 44 11.810 -10.377 1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.551 -8.510 -0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.557 -9.158 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.386 -8.207 1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.697 -7.117 -0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.570 -8.140 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.870 -8.529 -2.020 1.00 0.00 H new ATOM 756 N ASP A 45 9.911 -11.918 1.202 1.00 0.00 N ATOM 757 CA ASP A 45 8.669 -12.739 1.133 1.00 0.00 C ATOM 758 C ASP A 45 7.557 -12.165 2.078 1.00 0.00 C ATOM 759 O ASP A 45 7.241 -12.743 3.125 1.00 0.00 O ATOM 760 CB ASP A 45 9.104 -14.204 1.426 1.00 0.00 C ATOM 761 CG ASP A 45 8.045 -15.258 1.116 1.00 0.00 C ATOM 762 OD1 ASP A 45 7.374 -15.818 1.976 1.00 0.00 O ATOM 763 OD2 ASP A 45 7.939 -15.498 -0.225 1.00 0.00 O ATOM 0 H ASP A 45 10.271 -11.799 2.149 1.00 0.00 H new ATOM 0 HA ASP A 45 8.196 -12.710 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.999 -14.426 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.379 -14.283 2.478 1.00 0.00 H new ATOM 769 N GLY A 46 6.950 -11.023 1.693 1.00 0.00 N ATOM 770 CA GLY A 46 5.854 -10.376 2.467 1.00 0.00 C ATOM 771 C GLY A 46 6.294 -9.724 3.794 1.00 0.00 C ATOM 772 O GLY A 46 6.744 -8.575 3.822 1.00 0.00 O ATOM 0 H GLY A 46 7.200 -10.520 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.388 -9.614 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.090 -11.123 2.682 1.00 0.00 H new ATOM 776 N ASP A 47 6.184 -10.497 4.881 1.00 0.00 N ATOM 777 CA ASP A 47 6.865 -10.182 6.169 1.00 0.00 C ATOM 778 C ASP A 47 8.317 -10.748 6.314 1.00 0.00 C ATOM 779 O ASP A 47 9.155 -10.059 6.895 1.00 0.00 O ATOM 780 CB ASP A 47 5.943 -10.520 7.373 1.00 0.00 C ATOM 781 CG ASP A 47 5.578 -11.993 7.580 1.00 0.00 C ATOM 782 OD1 ASP A 47 4.674 -12.562 6.977 1.00 0.00 O ATOM 783 OD2 ASP A 47 6.374 -12.605 8.499 1.00 0.00 O ATOM 0 H ASP A 47 5.629 -11.353 4.906 1.00 0.00 H new ATOM 0 HA ASP A 47 7.032 -9.105 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.427 -10.161 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.018 -9.955 7.260 1.00 0.00 H new ATOM 789 N HIS A 48 8.641 -11.969 5.844 1.00 0.00 N ATOM 790 CA HIS A 48 9.993 -12.565 6.044 1.00 0.00 C ATOM 791 C HIS A 48 11.026 -12.013 5.012 1.00 0.00 C ATOM 792 O HIS A 48 10.952 -12.297 3.813 1.00 0.00 O ATOM 793 CB HIS A 48 9.890 -14.113 6.059 1.00 0.00 C ATOM 794 CG HIS A 48 11.130 -14.898 6.516 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.260 -16.257 6.273 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.221 -14.433 7.285 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.447 -16.491 6.922 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.096 -15.466 7.556 1.00 0.00 N ATOM 0 H HIS A 48 7.995 -12.565 5.326 1.00 0.00 H new ATOM 0 HA HIS A 48 10.379 -12.262 7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.058 -14.389 6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.634 -14.444 5.053 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.352 -13.413 7.614 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.869 -17.485 6.932 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.972 -15.466 8.078 1.00 0.00 H new ATOM 806 N MET A 49 11.976 -11.207 5.503 1.00 0.00 N ATOM 807 CA MET A 49 12.931 -10.460 4.654 1.00 0.00 C ATOM 808 C MET A 49 14.388 -10.769 5.105 1.00 0.00 C ATOM 809 O MET A 49 14.764 -10.548 6.263 1.00 0.00 O ATOM 810 CB MET A 49 12.557 -8.963 4.757 1.00 0.00 C ATOM 811 CG MET A 49 13.180 -8.072 3.666 1.00 0.00 C ATOM 812 SD MET A 49 12.841 -6.337 4.013 1.00 0.00 S ATOM 813 CE MET A 49 11.084 -6.205 3.624 1.00 0.00 C ATOM 0 H MET A 49 12.110 -11.050 6.502 1.00 0.00 H new ATOM 0 HA MET A 49 12.876 -10.758 3.607 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.472 -8.869 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.867 -8.590 5.733 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.256 -8.238 3.621 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.775 -8.341 2.691 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.945 -5.499 2.805 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.702 -7.182 3.329 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.542 -5.854 4.502 1.00 0.00 H new ATOM 823 N ILE A 50 15.201 -11.288 4.172 1.00 0.00 N ATOM 824 CA ILE A 50 16.617 -11.656 4.448 1.00 0.00 C ATOM 825 C ILE A 50 17.509 -10.661 3.641 1.00 0.00 C ATOM 826 O ILE A 50 17.762 -10.869 2.450 1.00 0.00 O ATOM 827 CB ILE A 50 16.921 -13.178 4.183 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.981 -14.199 4.904 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.382 -13.517 4.579 1.00 0.00 C ATOM 830 CD1 ILE A 50 14.683 -14.539 4.146 1.00 0.00 C ATOM 0 H ILE A 50 14.909 -11.467 3.211 1.00 0.00 H new ATOM 0 HA ILE A 50 16.844 -11.556 5.509 1.00 0.00 H new ATOM 0 HB ILE A 50 16.742 -13.293 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.536 -15.122 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.718 -13.798 5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.575 -14.573 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.069 -12.911 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.530 -13.306 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.099 -15.254 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.100 -13.630 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.930 -14.974 3.178 1.00 0.00 H new ATOM 842 N ILE A 51 17.993 -9.593 4.304 1.00 0.00 N ATOM 843 CA ILE A 51 18.915 -8.593 3.683 1.00 0.00 C ATOM 844 C ILE A 51 20.376 -9.096 3.930 1.00 0.00 C ATOM 845 O ILE A 51 20.923 -8.933 5.028 1.00 0.00 O ATOM 846 CB ILE A 51 18.644 -7.136 4.222 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.190 -6.627 3.972 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.661 -6.097 3.668 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.784 -5.362 4.752 1.00 0.00 C ATOM 0 H ILE A 51 17.765 -9.390 5.277 1.00 0.00 H new ATOM 0 HA ILE A 51 18.745 -8.515 2.609 1.00 0.00 H new ATOM 0 HB ILE A 51 18.777 -7.224 5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.072 -6.429 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.495 -7.427 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.429 -5.111 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.670 -6.382 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.597 -6.069 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.756 -5.096 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.861 -5.554 5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.447 -4.540 4.482 1.00 0.00 H new ATOM 861 N ARG A 52 21.011 -9.698 2.909 1.00 0.00 N ATOM 862 CA ARG A 52 22.395 -10.232 3.027 1.00 0.00 C ATOM 863 C ARG A 52 23.419 -9.140 2.601 1.00 0.00 C ATOM 864 O ARG A 52 23.659 -8.966 1.404 1.00 0.00 O ATOM 865 CB ARG A 52 22.565 -11.526 2.176 1.00 0.00 C ATOM 866 CG ARG A 52 21.609 -12.697 2.494 1.00 0.00 C ATOM 867 CD ARG A 52 21.886 -13.956 1.658 1.00 0.00 C ATOM 868 NE ARG A 52 20.850 -14.968 1.981 1.00 0.00 N ATOM 869 CZ ARG A 52 20.683 -16.129 1.355 1.00 0.00 C ATOM 870 NH1 ARG A 52 21.420 -16.546 0.348 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.723 -16.907 1.771 1.00 0.00 N ATOM 0 H ARG A 52 20.594 -9.831 1.988 1.00 0.00 H new ATOM 0 HA ARG A 52 22.584 -10.498 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.441 -11.261 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.589 -11.880 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.692 -12.947 3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.582 -12.375 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.865 -13.718 0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.880 -14.347 1.878 1.00 0.00 H new ATOM 0 HE ARG A 52 20.212 -14.755 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 52 22.181 -15.964 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.231 -17.451 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.133 -16.616 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.562 -17.806 1.317 1.00 0.00 H new ATOM 885 N THR A 53 24.022 -8.409 3.560 1.00 0.00 N ATOM 886 CA THR A 53 25.048 -7.365 3.247 1.00 0.00 C ATOM 887 C THR A 53 26.451 -8.047 3.181 1.00 0.00 C ATOM 888 O THR A 53 27.031 -8.447 4.199 1.00 0.00 O ATOM 889 CB THR A 53 24.982 -6.180 4.257 1.00 0.00 C ATOM 890 OG1 THR A 53 23.641 -5.719 4.401 1.00 0.00 O ATOM 891 CG2 THR A 53 25.816 -4.959 3.832 1.00 0.00 C ATOM 0 H THR A 53 23.825 -8.513 4.555 1.00 0.00 H new ATOM 0 HA THR A 53 24.844 -6.919 2.274 1.00 0.00 H new ATOM 0 HB THR A 53 25.384 -6.583 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.587 -5.102 5.161 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.722 -4.175 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.863 -5.248 3.739 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.455 -4.588 2.873 1.00 0.00 H new ATOM 899 N LEU A 54 26.948 -8.222 1.949 1.00 0.00 N ATOM 900 CA LEU A 54 28.060 -9.152 1.638 1.00 0.00 C ATOM 901 C LEU A 54 29.381 -8.353 1.434 1.00 0.00 C ATOM 902 O LEU A 54 29.498 -7.529 0.519 1.00 0.00 O ATOM 903 CB LEU A 54 27.672 -9.979 0.378 1.00 0.00 C ATOM 904 CG LEU A 54 26.473 -10.957 0.545 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.811 -11.236 -0.817 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.901 -12.255 1.256 1.00 0.00 C ATOM 0 H LEU A 54 26.594 -7.724 1.132 1.00 0.00 H new ATOM 0 HA LEU A 54 28.231 -9.841 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.439 -9.285 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.543 -10.554 0.063 1.00 0.00 H new ATOM 0 HG LEU A 54 25.729 -10.481 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.975 -11.922 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.448 -10.301 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.541 -11.683 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.040 -12.916 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.674 -12.753 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.292 -12.016 2.245 1.00 0.00 H new ATOM 918 N SER A 55 30.362 -8.602 2.310 1.00 0.00 N ATOM 919 CA SER A 55 31.669 -7.896 2.314 1.00 0.00 C ATOM 920 C SER A 55 32.841 -8.918 2.336 1.00 0.00 C ATOM 921 O SER A 55 32.810 -9.921 3.060 1.00 0.00 O ATOM 922 CB SER A 55 31.697 -6.982 3.566 1.00 0.00 C ATOM 923 OG SER A 55 32.969 -6.358 3.764 1.00 0.00 O ATOM 0 H SER A 55 30.280 -9.303 3.046 1.00 0.00 H new ATOM 0 HA SER A 55 31.788 -7.297 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.931 -6.213 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.445 -7.572 4.447 1.00 0.00 H new ATOM 0 HG SER A 55 32.935 -5.792 4.563 1.00 0.00 H new ATOM 929 N THR A 56 33.943 -8.599 1.631 1.00 0.00 N ATOM 930 CA THR A 56 35.218 -9.390 1.709 1.00 0.00 C ATOM 931 C THR A 56 36.061 -9.087 3.018 1.00 0.00 C ATOM 932 O THR A 56 37.269 -8.845 2.973 1.00 0.00 O ATOM 933 CB THR A 56 35.995 -9.169 0.364 1.00 0.00 C ATOM 934 OG1 THR A 56 35.150 -9.294 -0.778 1.00 0.00 O ATOM 935 CG2 THR A 56 37.135 -10.166 0.104 1.00 0.00 C ATOM 0 H THR A 56 33.991 -7.802 0.997 1.00 0.00 H new ATOM 0 HA THR A 56 34.998 -10.452 1.813 1.00 0.00 H new ATOM 0 HB THR A 56 36.392 -8.162 0.493 1.00 0.00 H new ATOM 0 HG1 THR A 56 35.676 -9.147 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.612 -9.933 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 56 37.870 -10.095 0.905 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.732 -11.178 0.070 1.00 0.00 H new ATOM 943 N PHE A 57 35.398 -9.123 4.192 1.00 0.00 N ATOM 944 CA PHE A 57 35.988 -8.855 5.534 1.00 0.00 C ATOM 945 C PHE A 57 34.926 -9.188 6.636 1.00 0.00 C ATOM 946 O PHE A 57 35.144 -10.111 7.425 1.00 0.00 O ATOM 947 CB PHE A 57 36.582 -7.416 5.679 1.00 0.00 C ATOM 948 CG PHE A 57 37.354 -7.136 6.984 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.575 -7.775 7.234 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.883 -6.183 7.894 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.314 -7.460 8.372 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.627 -5.868 9.028 1.00 0.00 C ATOM 953 CZ PHE A 57 38.841 -6.503 9.265 1.00 0.00 C ATOM 0 H PHE A 57 34.404 -9.346 4.241 1.00 0.00 H new ATOM 0 HA PHE A 57 36.849 -9.510 5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.250 -7.233 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.766 -6.697 5.600 1.00 0.00 H new ATOM 0 HD1 PHE A 57 38.945 -8.516 6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.939 -5.690 7.716 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.253 -7.958 8.561 1.00 0.00 H new ATOM 0 HE2 PHE A 57 37.260 -5.129 9.725 1.00 0.00 H new ATOM 0 HZ PHE A 57 39.418 -6.253 10.143 1.00 0.00 H new ATOM 963 N ARG A 58 33.805 -8.436 6.724 1.00 0.00 N ATOM 964 CA ARG A 58 32.803 -8.594 7.816 1.00 0.00 C ATOM 965 C ARG A 58 31.355 -8.606 7.226 1.00 0.00 C ATOM 966 O ARG A 58 30.796 -7.558 6.889 1.00 0.00 O ATOM 967 CB ARG A 58 33.028 -7.483 8.894 1.00 0.00 C ATOM 968 CG ARG A 58 33.100 -8.001 10.356 1.00 0.00 C ATOM 969 CD ARG A 58 34.520 -8.218 10.923 1.00 0.00 C ATOM 970 NE ARG A 58 35.333 -9.244 10.217 1.00 0.00 N ATOM 971 CZ ARG A 58 36.560 -9.613 10.584 1.00 0.00 C ATOM 972 NH1 ARG A 58 37.150 -9.228 11.697 1.00 0.00 N ATOM 973 NH2 ARG A 58 37.222 -10.407 9.790 1.00 0.00 N ATOM 0 H ARG A 58 33.566 -7.708 6.050 1.00 0.00 H new ATOM 0 HA ARG A 58 32.934 -9.554 8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 58 33.954 -6.955 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.220 -6.756 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 58 32.577 -7.293 10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.558 -8.945 10.414 1.00 0.00 H new ATOM 0 HD2 ARG A 58 35.055 -7.269 10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 58 34.436 -8.503 11.972 1.00 0.00 H new ATOM 0 HE ARG A 58 34.925 -9.695 9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 58 36.664 -8.606 12.343 1.00 0.00 H new ATOM 0 HH12 ARG A 58 38.093 -9.552 11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 58 36.798 -10.726 8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 58 38.164 -10.709 10.040 1.00 0.00 H new ATOM 987 N ASN A 59 30.748 -9.799 7.098 1.00 0.00 N ATOM 988 CA ASN A 59 29.382 -9.961 6.514 1.00 0.00 C ATOM 989 C ASN A 59 28.247 -9.703 7.559 1.00 0.00 C ATOM 990 O ASN A 59 28.339 -10.135 8.713 1.00 0.00 O ATOM 991 CB ASN A 59 29.253 -11.392 5.922 1.00 0.00 C ATOM 992 CG ASN A 59 30.109 -11.667 4.680 1.00 0.00 C ATOM 993 OD1 ASN A 59 29.863 -11.139 3.604 1.00 0.00 O ATOM 994 ND2 ASN A 59 31.123 -12.490 4.767 1.00 0.00 N ATOM 0 H ASN A 59 31.176 -10.678 7.390 1.00 0.00 H new ATOM 0 HA ASN A 59 29.260 -9.213 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.521 -12.113 6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.208 -11.570 5.669 1.00 0.00 H new ATOM 0 HD21 ASN A 59 31.695 -12.683 3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 59 31.341 -12.938 5.657 1.00 0.00 H new ATOM 1001 N TYR A 60 27.163 -9.022 7.142 1.00 0.00 N ATOM 1002 CA TYR A 60 26.020 -8.686 8.042 1.00 0.00 C ATOM 1003 C TYR A 60 24.679 -9.138 7.382 1.00 0.00 C ATOM 1004 O TYR A 60 24.143 -8.471 6.492 1.00 0.00 O ATOM 1005 CB TYR A 60 26.112 -7.173 8.397 1.00 0.00 C ATOM 1006 CG TYR A 60 25.065 -6.629 9.391 1.00 0.00 C ATOM 1007 CD1 TYR A 60 25.035 -7.073 10.720 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.154 -5.650 8.978 1.00 0.00 C ATOM 1009 CE1 TYR A 60 24.097 -6.555 11.614 1.00 0.00 C ATOM 1010 CE2 TYR A 60 23.236 -5.117 9.882 1.00 0.00 C ATOM 1011 CZ TYR A 60 23.205 -5.572 11.197 1.00 0.00 C ATOM 1012 OH TYR A 60 22.286 -5.043 12.068 1.00 0.00 O ATOM 0 H TYR A 60 27.045 -8.688 6.185 1.00 0.00 H new ATOM 0 HA TYR A 60 26.061 -9.228 8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.103 -6.980 8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 60 26.033 -6.601 7.472 1.00 0.00 H new ATOM 0 HD1 TYR A 60 25.741 -7.819 11.054 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.162 -5.306 7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 60 24.063 -6.918 12.631 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.547 -4.349 9.561 1.00 0.00 H new ATOM 0 HH TYR A 60 22.341 -5.512 12.927 1.00 0.00 H new ATOM 1022 N ILE A 61 24.146 -10.292 7.823 1.00 0.00 N ATOM 1023 CA ILE A 61 22.877 -10.867 7.281 1.00 0.00 C ATOM 1024 C ILE A 61 21.723 -10.520 8.278 1.00 0.00 C ATOM 1025 O ILE A 61 21.664 -11.046 9.394 1.00 0.00 O ATOM 1026 CB ILE A 61 23.038 -12.399 6.950 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.079 -12.655 5.811 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.679 -13.057 6.581 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.502 -14.115 5.573 1.00 0.00 C ATOM 0 H ILE A 61 24.570 -10.857 8.559 1.00 0.00 H new ATOM 0 HA ILE A 61 22.618 -10.422 6.320 1.00 0.00 H new ATOM 0 HB ILE A 61 23.413 -12.864 7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.667 -12.265 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.974 -12.074 6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.834 -14.113 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.988 -12.959 7.418 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.260 -12.561 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.225 -14.156 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.954 -14.515 6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.627 -14.709 5.311 1.00 0.00 H new ATOM 1041 N MET A 62 20.779 -9.667 7.845 1.00 0.00 N ATOM 1042 CA MET A 62 19.575 -9.318 8.645 1.00 0.00 C ATOM 1043 C MET A 62 18.385 -10.221 8.195 1.00 0.00 C ATOM 1044 O MET A 62 17.643 -9.891 7.265 1.00 0.00 O ATOM 1045 CB MET A 62 19.291 -7.799 8.490 1.00 0.00 C ATOM 1046 CG MET A 62 20.241 -6.858 9.244 1.00 0.00 C ATOM 1047 SD MET A 62 19.805 -6.773 10.993 1.00 0.00 S ATOM 1048 CE MET A 62 18.959 -5.181 11.032 1.00 0.00 C ATOM 0 H MET A 62 20.821 -9.199 6.939 1.00 0.00 H new ATOM 0 HA MET A 62 19.731 -9.507 9.707 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.329 -7.549 7.430 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.273 -7.603 8.828 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.268 -7.208 9.137 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.197 -5.861 8.805 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.223 -5.180 11.836 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.686 -4.387 11.204 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.456 -5.013 10.080 1.00 0.00 H new ATOM 1058 N ASP A 63 18.224 -11.371 8.872 1.00 0.00 N ATOM 1059 CA ASP A 63 17.134 -12.341 8.610 1.00 0.00 C ATOM 1060 C ASP A 63 15.931 -12.138 9.584 1.00 0.00 C ATOM 1061 O ASP A 63 16.015 -12.551 10.746 1.00 0.00 O ATOM 1062 CB ASP A 63 17.745 -13.773 8.656 1.00 0.00 C ATOM 1063 CG ASP A 63 18.601 -14.247 9.844 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.702 -14.768 9.699 1.00 0.00 O ATOM 1065 OD2 ASP A 63 18.005 -14.035 11.056 1.00 0.00 O ATOM 0 H ASP A 63 18.849 -11.661 9.624 1.00 0.00 H new ATOM 0 HA ASP A 63 16.708 -12.180 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.915 -14.474 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.357 -13.885 7.761 1.00 0.00 H new ATOM 1071 N PHE A 64 14.833 -11.500 9.139 1.00 0.00 N ATOM 1072 CA PHE A 64 13.769 -11.008 10.070 1.00 0.00 C ATOM 1073 C PHE A 64 12.321 -11.080 9.495 1.00 0.00 C ATOM 1074 O PHE A 64 12.090 -10.918 8.294 1.00 0.00 O ATOM 1075 CB PHE A 64 14.119 -9.568 10.562 1.00 0.00 C ATOM 1076 CG PHE A 64 14.240 -8.452 9.502 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.102 -7.838 8.972 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.498 -8.099 9.010 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.221 -6.918 7.933 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.614 -7.175 7.975 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.477 -6.585 7.438 1.00 0.00 C ATOM 0 H PHE A 64 14.649 -11.309 8.154 1.00 0.00 H new ATOM 0 HA PHE A 64 13.761 -11.694 10.917 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.357 -9.266 11.280 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.064 -9.620 11.103 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.127 -8.078 9.369 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.385 -8.545 9.434 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.337 -6.463 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.589 -6.917 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.568 -5.868 6.636 1.00 0.00 H new ATOM 1091 N GLN A 65 11.330 -11.223 10.391 1.00 0.00 N ATOM 1092 CA GLN A 65 9.896 -11.014 10.060 1.00 0.00 C ATOM 1093 C GLN A 65 9.480 -9.539 10.383 1.00 0.00 C ATOM 1094 O GLN A 65 9.581 -9.087 11.527 1.00 0.00 O ATOM 1095 CB GLN A 65 9.013 -12.037 10.827 1.00 0.00 C ATOM 1096 CG GLN A 65 9.084 -13.522 10.373 1.00 0.00 C ATOM 1097 CD GLN A 65 10.296 -14.344 10.842 1.00 0.00 C ATOM 1098 OE1 GLN A 65 11.047 -13.992 11.748 1.00 0.00 O ATOM 1099 NE2 GLN A 65 10.514 -15.495 10.256 1.00 0.00 N ATOM 0 H GLN A 65 11.491 -11.485 11.363 1.00 0.00 H new ATOM 0 HA GLN A 65 9.745 -11.179 8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.285 -11.993 11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.976 -11.711 10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.181 -14.024 10.719 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.063 -13.543 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.903 -15.807 9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.295 -16.079 10.554 1.00 0.00 H new ATOM 1108 N VAL A 66 8.975 -8.799 9.378 1.00 0.00 N ATOM 1109 CA VAL A 66 8.481 -7.393 9.541 1.00 0.00 C ATOM 1110 C VAL A 66 7.242 -7.344 10.509 1.00 0.00 C ATOM 1111 O VAL A 66 6.277 -8.098 10.345 1.00 0.00 O ATOM 1112 CB VAL A 66 8.175 -6.754 8.138 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.720 -5.281 8.222 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.363 -6.748 7.146 1.00 0.00 C ATOM 0 H VAL A 66 8.892 -9.148 8.423 1.00 0.00 H new ATOM 0 HA VAL A 66 9.264 -6.793 10.004 1.00 0.00 H new ATOM 0 HB VAL A 66 7.383 -7.408 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.526 -4.902 7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.809 -5.215 8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.503 -4.684 8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.052 -6.287 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.190 -6.180 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.685 -7.772 6.958 1.00 0.00 H new ATOM 1124 N GLY A 67 7.313 -6.494 11.547 1.00 0.00 N ATOM 1125 CA GLY A 67 6.423 -6.601 12.738 1.00 0.00 C ATOM 1126 C GLY A 67 7.040 -7.226 14.017 1.00 0.00 C ATOM 1127 O GLY A 67 6.704 -6.789 15.119 1.00 0.00 O ATOM 0 H GLY A 67 7.976 -5.720 11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.066 -5.602 12.986 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.550 -7.191 12.458 1.00 0.00 H new ATOM 1131 N LYS A 68 7.888 -8.261 13.892 1.00 0.00 N ATOM 1132 CA LYS A 68 8.459 -9.001 15.051 1.00 0.00 C ATOM 1133 C LYS A 68 9.786 -8.356 15.570 1.00 0.00 C ATOM 1134 O LYS A 68 10.692 -8.034 14.792 1.00 0.00 O ATOM 1135 CB LYS A 68 8.704 -10.485 14.649 1.00 0.00 C ATOM 1136 CG LYS A 68 7.494 -11.351 14.207 1.00 0.00 C ATOM 1137 CD LYS A 68 6.396 -11.591 15.268 1.00 0.00 C ATOM 1138 CE LYS A 68 5.216 -10.608 15.176 1.00 0.00 C ATOM 1139 NZ LYS A 68 4.219 -10.913 16.220 1.00 0.00 N ATOM 0 H LYS A 68 8.202 -8.615 12.989 1.00 0.00 H new ATOM 0 HA LYS A 68 7.738 -8.950 15.867 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.429 -10.491 13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.174 -10.983 15.497 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.033 -10.877 13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.869 -12.320 13.879 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.018 -12.608 15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.841 -11.518 16.260 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.575 -9.585 15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.754 -10.673 14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.426 -10.244 16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.866 -11.883 16.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.661 -10.828 17.158 1.00 0.00 H new ATOM 1152 N GLU A 69 9.909 -8.202 16.902 1.00 0.00 N ATOM 1153 CA GLU A 69 11.119 -7.609 17.535 1.00 0.00 C ATOM 1154 C GLU A 69 12.214 -8.683 17.851 1.00 0.00 C ATOM 1155 O GLU A 69 11.968 -9.623 18.613 1.00 0.00 O ATOM 1156 CB GLU A 69 10.657 -6.785 18.766 1.00 0.00 C ATOM 1157 CG GLU A 69 11.776 -5.907 19.381 1.00 0.00 C ATOM 1158 CD GLU A 69 11.286 -4.696 20.165 1.00 0.00 C ATOM 1159 OE1 GLU A 69 11.297 -3.557 19.704 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.861 -5.025 21.419 1.00 0.00 O ATOM 0 H GLU A 69 9.188 -8.478 17.568 1.00 0.00 H new ATOM 0 HA GLU A 69 11.620 -6.935 16.840 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.825 -6.145 18.473 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.281 -7.467 19.529 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.382 -6.527 20.041 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.429 -5.562 18.579 1.00 0.00 H new ATOM 1168 N PHE A 70 13.418 -8.536 17.264 1.00 0.00 N ATOM 1169 CA PHE A 70 14.503 -9.563 17.336 1.00 0.00 C ATOM 1170 C PHE A 70 15.823 -9.041 17.999 1.00 0.00 C ATOM 1171 O PHE A 70 16.116 -7.843 18.015 1.00 0.00 O ATOM 1172 CB PHE A 70 14.714 -10.175 15.914 1.00 0.00 C ATOM 1173 CG PHE A 70 15.426 -9.314 14.848 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.700 -8.422 14.052 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.810 -9.425 14.664 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.350 -7.647 13.094 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.457 -8.653 13.701 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.726 -7.769 12.913 1.00 0.00 C ATOM 0 H PHE A 70 13.676 -7.709 16.726 1.00 0.00 H new ATOM 0 HA PHE A 70 14.184 -10.357 18.012 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.281 -11.098 16.030 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.735 -10.450 15.521 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.631 -8.334 14.181 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.379 -10.113 15.272 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.786 -6.951 12.491 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.525 -8.741 13.566 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.226 -7.177 12.161 1.00 0.00 H new ATOM 1188 N GLU A 71 16.656 -9.958 18.517 1.00 0.00 N ATOM 1189 CA GLU A 71 17.971 -9.610 19.128 1.00 0.00 C ATOM 1190 C GLU A 71 19.106 -9.352 18.080 1.00 0.00 C ATOM 1191 O GLU A 71 19.342 -10.195 17.206 1.00 0.00 O ATOM 1192 CB GLU A 71 18.345 -10.720 20.161 1.00 0.00 C ATOM 1193 CG GLU A 71 18.965 -12.062 19.671 1.00 0.00 C ATOM 1194 CD GLU A 71 18.119 -12.910 18.719 1.00 0.00 C ATOM 1195 OE1 GLU A 71 17.458 -13.877 19.085 1.00 0.00 O ATOM 1196 OE2 GLU A 71 18.185 -12.464 17.427 1.00 0.00 O ATOM 0 H GLU A 71 16.449 -10.957 18.530 1.00 0.00 H new ATOM 0 HA GLU A 71 17.870 -8.653 19.640 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.045 -10.280 20.871 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.439 -10.965 20.716 1.00 0.00 H new ATOM 0 HG2 GLU A 71 19.910 -11.838 19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.199 -12.667 20.547 1.00 0.00 H new ATOM 1204 N GLU A 72 19.863 -8.250 18.225 1.00 0.00 N ATOM 1205 CA GLU A 72 21.125 -8.035 17.451 1.00 0.00 C ATOM 1206 C GLU A 72 22.299 -8.968 17.916 1.00 0.00 C ATOM 1207 O GLU A 72 22.713 -9.847 17.157 1.00 0.00 O ATOM 1208 CB GLU A 72 21.492 -6.520 17.467 1.00 0.00 C ATOM 1209 CG GLU A 72 20.606 -5.572 16.624 1.00 0.00 C ATOM 1210 CD GLU A 72 20.637 -5.768 15.103 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.656 -5.978 14.447 1.00 0.00 O ATOM 1212 OE2 GLU A 72 19.397 -5.659 14.547 1.00 0.00 O ATOM 0 H GLU A 72 19.634 -7.490 18.866 1.00 0.00 H new ATOM 0 HA GLU A 72 20.950 -8.329 16.416 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.467 -6.177 18.501 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.521 -6.417 17.122 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.575 -5.682 16.960 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.904 -4.546 16.841 1.00 0.00 H new ATOM 1220 N ASP A 73 22.812 -8.806 19.154 1.00 0.00 N ATOM 1221 CA ASP A 73 23.860 -9.682 19.759 1.00 0.00 C ATOM 1222 C ASP A 73 25.268 -9.518 19.082 1.00 0.00 C ATOM 1223 O ASP A 73 25.786 -8.398 19.037 1.00 0.00 O ATOM 1224 CB ASP A 73 23.278 -11.110 20.027 1.00 0.00 C ATOM 1225 CG ASP A 73 24.061 -11.982 21.011 1.00 0.00 C ATOM 1226 OD1 ASP A 73 24.895 -11.546 21.800 1.00 0.00 O ATOM 1227 OD2 ASP A 73 23.713 -13.298 20.913 1.00 0.00 O ATOM 0 H ASP A 73 22.512 -8.056 19.776 1.00 0.00 H new ATOM 0 HA ASP A 73 24.127 -9.348 20.762 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.260 -11.001 20.400 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.214 -11.639 19.076 1.00 0.00 H new ATOM 1233 N LEU A 74 25.897 -10.591 18.561 1.00 0.00 N ATOM 1234 CA LEU A 74 27.252 -10.520 17.944 1.00 0.00 C ATOM 1235 C LEU A 74 27.128 -10.102 16.444 1.00 0.00 C ATOM 1236 O LEU A 74 27.031 -10.935 15.538 1.00 0.00 O ATOM 1237 CB LEU A 74 27.971 -11.877 18.207 1.00 0.00 C ATOM 1238 CG LEU A 74 29.517 -11.910 18.029 1.00 0.00 C ATOM 1239 CD1 LEU A 74 30.091 -13.191 18.660 1.00 0.00 C ATOM 1240 CD2 LEU A 74 29.986 -11.839 16.563 1.00 0.00 C ATOM 0 H LEU A 74 25.491 -11.527 18.552 1.00 0.00 H new ATOM 0 HA LEU A 74 27.877 -9.748 18.392 1.00 0.00 H new ATOM 0 HB2 LEU A 74 27.742 -12.189 19.226 1.00 0.00 H new ATOM 0 HB3 LEU A 74 27.538 -12.623 17.540 1.00 0.00 H new ATOM 0 HG LEU A 74 29.887 -11.015 18.529 1.00 0.00 H new ATOM 0 HD11 LEU A 74 31.173 -13.207 18.531 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.852 -13.212 19.723 1.00 0.00 H new ATOM 0 HD13 LEU A 74 29.655 -14.063 18.173 1.00 0.00 H new ATOM 0 HD21 LEU A 74 31.075 -11.867 16.528 1.00 0.00 H new ATOM 0 HD22 LEU A 74 29.583 -12.688 16.010 1.00 0.00 H new ATOM 0 HD23 LEU A 74 29.632 -10.912 16.112 1.00 0.00 H new ATOM 1252 N THR A 75 27.126 -8.783 16.202 1.00 0.00 N ATOM 1253 CA THR A 75 26.902 -8.205 14.838 1.00 0.00 C ATOM 1254 C THR A 75 28.159 -8.032 13.920 1.00 0.00 C ATOM 1255 O THR A 75 27.984 -7.732 12.735 1.00 0.00 O ATOM 1256 CB THR A 75 26.123 -6.853 14.951 1.00 0.00 C ATOM 1257 OG1 THR A 75 26.803 -5.896 15.755 1.00 0.00 O ATOM 1258 CG2 THR A 75 24.703 -6.964 15.525 1.00 0.00 C ATOM 0 H THR A 75 27.276 -8.081 16.927 1.00 0.00 H new ATOM 0 HA THR A 75 26.315 -8.967 14.325 1.00 0.00 H new ATOM 0 HB THR A 75 26.062 -6.536 13.910 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.230 -5.633 16.506 1.00 0.00 H new ATOM 0 HG21 THR A 75 24.247 -5.974 15.563 1.00 0.00 H new ATOM 0 HG22 THR A 75 24.103 -7.616 14.889 1.00 0.00 H new ATOM 0 HG23 THR A 75 24.749 -7.381 16.531 1.00 0.00 H new ATOM 1266 N GLY A 76 29.406 -8.132 14.428 1.00 0.00 N ATOM 1267 CA GLY A 76 30.617 -7.693 13.669 1.00 0.00 C ATOM 1268 C GLY A 76 30.959 -6.181 13.723 1.00 0.00 C ATOM 1269 O GLY A 76 32.124 -5.814 13.875 1.00 0.00 O ATOM 0 H GLY A 76 29.609 -8.509 15.354 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.475 -8.250 14.045 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.486 -7.976 12.625 1.00 0.00 H new ATOM 1273 N ILE A 77 29.938 -5.325 13.574 1.00 0.00 N ATOM 1274 CA ILE A 77 30.062 -3.844 13.650 1.00 0.00 C ATOM 1275 C ILE A 77 30.013 -3.390 15.158 1.00 0.00 C ATOM 1276 O ILE A 77 31.053 -3.029 15.713 1.00 0.00 O ATOM 1277 CB ILE A 77 29.015 -3.195 12.657 1.00 0.00 C ATOM 1278 CG1 ILE A 77 29.305 -3.421 11.135 1.00 0.00 C ATOM 1279 CG2 ILE A 77 28.882 -1.667 12.860 1.00 0.00 C ATOM 1280 CD1 ILE A 77 28.914 -4.797 10.560 1.00 0.00 C ATOM 0 H ILE A 77 28.984 -5.637 13.394 1.00 0.00 H new ATOM 0 HA ILE A 77 31.027 -3.475 13.304 1.00 0.00 H new ATOM 0 HB ILE A 77 28.095 -3.719 12.915 1.00 0.00 H new ATOM 0 HG12 ILE A 77 28.779 -2.652 10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 77 30.371 -3.270 10.964 1.00 0.00 H new ATOM 0 HG21 ILE A 77 28.152 -1.269 12.155 1.00 0.00 H new ATOM 0 HG22 ILE A 77 28.552 -1.463 13.879 1.00 0.00 H new ATOM 0 HG23 ILE A 77 29.848 -1.192 12.689 1.00 0.00 H new ATOM 0 HD11 ILE A 77 29.163 -4.832 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 77 29.459 -5.580 11.087 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.843 -4.953 10.686 1.00 0.00 H new ATOM 1292 N ASP A 78 28.834 -3.391 15.813 1.00 0.00 N ATOM 1293 CA ASP A 78 28.667 -2.856 17.201 1.00 0.00 C ATOM 1294 C ASP A 78 28.902 -3.895 18.352 1.00 0.00 C ATOM 1295 O ASP A 78 29.512 -3.542 19.364 1.00 0.00 O ATOM 1296 CB ASP A 78 27.262 -2.187 17.264 1.00 0.00 C ATOM 1297 CG ASP A 78 27.031 -1.168 18.389 1.00 0.00 C ATOM 1298 OD1 ASP A 78 26.726 -0.001 18.182 1.00 0.00 O ATOM 1299 OD2 ASP A 78 27.181 -1.685 19.637 1.00 0.00 O ATOM 0 H ASP A 78 27.972 -3.757 15.409 1.00 0.00 H new ATOM 0 HA ASP A 78 29.457 -2.129 17.389 1.00 0.00 H new ATOM 0 HB2 ASP A 78 27.080 -1.689 16.312 1.00 0.00 H new ATOM 0 HB3 ASP A 78 26.515 -2.975 17.360 1.00 0.00 H new ATOM 1305 N ASP A 79 28.380 -5.139 18.242 1.00 0.00 N ATOM 1306 CA ASP A 79 28.369 -6.151 19.341 1.00 0.00 C ATOM 1307 C ASP A 79 27.499 -5.734 20.582 1.00 0.00 C ATOM 1308 O ASP A 79 28.048 -5.428 21.649 1.00 0.00 O ATOM 1309 CB ASP A 79 29.816 -6.622 19.681 1.00 0.00 C ATOM 1310 CG ASP A 79 29.892 -7.915 20.489 1.00 0.00 C ATOM 1311 OD1 ASP A 79 30.288 -8.978 20.023 1.00 0.00 O ATOM 1312 OD2 ASP A 79 29.456 -7.744 21.774 1.00 0.00 O ATOM 0 H ASP A 79 27.949 -5.478 17.382 1.00 0.00 H new ATOM 0 HA ASP A 79 27.845 -7.031 18.968 1.00 0.00 H new ATOM 0 HB2 ASP A 79 30.367 -6.758 18.751 1.00 0.00 H new ATOM 0 HB3 ASP A 79 30.320 -5.832 20.237 1.00 0.00 H new ATOM 1318 N ARG A 80 26.157 -5.766 20.463 1.00 0.00 N ATOM 1319 CA ARG A 80 25.241 -5.448 21.597 1.00 0.00 C ATOM 1320 C ARG A 80 23.838 -6.108 21.423 1.00 0.00 C ATOM 1321 O ARG A 80 23.279 -6.141 20.320 1.00 0.00 O ATOM 1322 CB ARG A 80 25.134 -3.900 21.810 1.00 0.00 C ATOM 1323 CG ARG A 80 25.411 -3.434 23.270 1.00 0.00 C ATOM 1324 CD ARG A 80 26.411 -2.269 23.413 1.00 0.00 C ATOM 1325 NE ARG A 80 27.777 -2.682 22.988 1.00 0.00 N ATOM 1326 CZ ARG A 80 28.899 -2.021 23.260 1.00 0.00 C ATOM 1327 NH1 ARG A 80 28.964 -0.934 23.999 1.00 0.00 N ATOM 1328 NH2 ARG A 80 30.011 -2.482 22.759 1.00 0.00 N ATOM 0 H ARG A 80 25.675 -6.008 19.597 1.00 0.00 H new ATOM 0 HA ARG A 80 25.675 -5.880 22.499 1.00 0.00 H new ATOM 0 HB2 ARG A 80 25.838 -3.404 21.143 1.00 0.00 H new ATOM 0 HB3 ARG A 80 24.135 -3.573 21.520 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.466 -3.137 23.724 1.00 0.00 H new ATOM 0 HG3 ARG A 80 25.786 -4.284 23.840 1.00 0.00 H new ATOM 0 HD2 ARG A 80 26.079 -1.424 22.810 1.00 0.00 H new ATOM 0 HD3 ARG A 80 26.435 -1.931 24.449 1.00 0.00 H new ATOM 0 HE ARG A 80 27.859 -3.541 22.444 1.00 0.00 H new ATOM 0 HH11 ARG A 80 28.115 -0.543 24.407 1.00 0.00 H new ATOM 0 HH12 ARG A 80 29.864 -0.482 24.163 1.00 0.00 H new ATOM 0 HH21 ARG A 80 30.000 -3.322 22.181 1.00 0.00 H new ATOM 0 HH22 ARG A 80 30.892 -2.002 22.945 1.00 0.00 H new ATOM 1342 N LYS A 81 23.233 -6.592 22.526 1.00 0.00 N ATOM 1343 CA LYS A 81 21.867 -7.203 22.509 1.00 0.00 C ATOM 1344 C LYS A 81 20.716 -6.138 22.450 1.00 0.00 C ATOM 1345 O LYS A 81 19.991 -5.905 23.422 1.00 0.00 O ATOM 1346 CB LYS A 81 21.737 -8.176 23.717 1.00 0.00 C ATOM 1347 CG LYS A 81 22.561 -9.482 23.626 1.00 0.00 C ATOM 1348 CD LYS A 81 22.367 -10.389 24.856 1.00 0.00 C ATOM 1349 CE LYS A 81 23.173 -11.694 24.753 1.00 0.00 C ATOM 1350 NZ LYS A 81 22.982 -12.507 25.970 1.00 0.00 N ATOM 0 H LYS A 81 23.663 -6.576 23.451 1.00 0.00 H new ATOM 0 HA LYS A 81 21.749 -7.771 21.586 1.00 0.00 H new ATOM 0 HB2 LYS A 81 22.035 -7.644 24.621 1.00 0.00 H new ATOM 0 HB3 LYS A 81 20.686 -8.440 23.834 1.00 0.00 H new ATOM 0 HG2 LYS A 81 22.273 -10.028 22.727 1.00 0.00 H new ATOM 0 HG3 LYS A 81 23.618 -9.235 23.524 1.00 0.00 H new ATOM 0 HD2 LYS A 81 22.668 -9.849 25.754 1.00 0.00 H new ATOM 0 HD3 LYS A 81 21.309 -10.626 24.966 1.00 0.00 H new ATOM 0 HE2 LYS A 81 22.855 -12.258 23.876 1.00 0.00 H new ATOM 0 HE3 LYS A 81 24.231 -11.467 24.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 23.531 -13.387 25.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 23.306 -11.971 26.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.974 -12.737 26.079 1.00 0.00 H new ATOM 1363 N CYS A 82 20.541 -5.518 21.271 1.00 0.00 N ATOM 1364 CA CYS A 82 19.454 -4.542 21.015 1.00 0.00 C ATOM 1365 C CYS A 82 18.179 -5.220 20.417 1.00 0.00 C ATOM 1366 O CYS A 82 18.248 -6.145 19.599 1.00 0.00 O ATOM 1367 CB CYS A 82 20.024 -3.441 20.099 1.00 0.00 C ATOM 1368 SG CYS A 82 21.312 -2.498 20.983 1.00 0.00 S ATOM 0 H CYS A 82 21.146 -5.675 20.465 1.00 0.00 H new ATOM 0 HA CYS A 82 19.119 -4.101 21.954 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.443 -3.888 19.197 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.225 -2.771 19.781 1.00 0.00 H new ATOM 0 HG CYS A 82 21.787 -1.574 20.201 1.00 0.00 H new ATOM 1374 N MET A 83 17.012 -4.727 20.850 1.00 0.00 N ATOM 1375 CA MET A 83 15.679 -5.240 20.442 1.00 0.00 C ATOM 1376 C MET A 83 15.202 -4.517 19.145 1.00 0.00 C ATOM 1377 O MET A 83 14.757 -3.365 19.179 1.00 0.00 O ATOM 1378 CB MET A 83 14.723 -5.040 21.662 1.00 0.00 C ATOM 1379 CG MET A 83 14.437 -6.310 22.487 1.00 0.00 C ATOM 1380 SD MET A 83 15.971 -7.043 23.101 1.00 0.00 S ATOM 1381 CE MET A 83 15.932 -8.634 22.255 1.00 0.00 C ATOM 0 H MET A 83 16.956 -3.947 21.505 1.00 0.00 H new ATOM 0 HA MET A 83 15.702 -6.300 20.189 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.155 -4.287 22.322 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.776 -4.641 21.299 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.786 -6.064 23.326 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.904 -7.035 21.872 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.815 -9.213 22.527 1.00 0.00 H new ATOM 0 HE2 MET A 83 15.035 -9.180 22.548 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.922 -8.473 21.177 1.00 0.00 H new ATOM 1391 N THR A 84 15.321 -5.190 17.990 1.00 0.00 N ATOM 1392 CA THR A 84 15.100 -4.559 16.663 1.00 0.00 C ATOM 1393 C THR A 84 13.661 -4.826 16.137 1.00 0.00 C ATOM 1394 O THR A 84 13.359 -5.935 15.686 1.00 0.00 O ATOM 1395 CB THR A 84 16.186 -5.016 15.646 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.484 -4.691 16.122 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.053 -4.312 14.287 1.00 0.00 C ATOM 0 H THR A 84 15.570 -6.178 17.940 1.00 0.00 H new ATOM 0 HA THR A 84 15.196 -3.480 16.783 1.00 0.00 H new ATOM 0 HB THR A 84 16.044 -6.091 15.532 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.140 -4.834 15.408 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.835 -4.667 13.615 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.076 -4.533 13.857 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.154 -3.235 14.424 1.00 0.00 H new ATOM 1405 N THR A 85 12.813 -3.786 16.121 1.00 0.00 N ATOM 1406 CA THR A 85 11.536 -3.805 15.349 1.00 0.00 C ATOM 1407 C THR A 85 11.777 -3.215 13.919 1.00 0.00 C ATOM 1408 O THR A 85 12.344 -2.126 13.769 1.00 0.00 O ATOM 1409 CB THR A 85 10.435 -3.032 16.134 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.133 -3.705 17.352 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.074 -2.926 15.421 1.00 0.00 C ATOM 0 H THR A 85 12.978 -2.917 16.629 1.00 0.00 H new ATOM 0 HA THR A 85 11.186 -4.830 15.224 1.00 0.00 H new ATOM 0 HB THR A 85 10.865 -2.038 16.257 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.594 -3.261 18.094 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.377 -2.371 16.048 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.200 -2.406 14.471 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.680 -3.926 15.238 1.00 0.00 H new ATOM 1419 N VAL A 86 11.299 -3.925 12.882 1.00 0.00 N ATOM 1420 CA VAL A 86 11.275 -3.416 11.476 1.00 0.00 C ATOM 1421 C VAL A 86 9.773 -3.316 11.030 1.00 0.00 C ATOM 1422 O VAL A 86 8.963 -4.204 11.321 1.00 0.00 O ATOM 1423 CB VAL A 86 12.155 -4.290 10.512 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.282 -3.635 9.120 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.605 -4.559 10.981 1.00 0.00 C ATOM 0 H VAL A 86 10.917 -4.866 12.981 1.00 0.00 H new ATOM 0 HA VAL A 86 11.727 -2.426 11.426 1.00 0.00 H new ATOM 0 HB VAL A 86 11.616 -5.237 10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.897 -4.264 8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.292 -3.523 8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.747 -2.654 9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.119 -5.171 10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.131 -3.612 11.098 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.587 -5.084 11.936 1.00 0.00 H new ATOM 1435 N SER A 87 9.365 -2.222 10.358 1.00 0.00 N ATOM 1436 CA SER A 87 7.940 -1.983 9.967 1.00 0.00 C ATOM 1437 C SER A 87 7.798 -1.142 8.655 1.00 0.00 C ATOM 1438 O SER A 87 8.621 -0.273 8.352 1.00 0.00 O ATOM 1439 CB SER A 87 7.182 -1.349 11.160 1.00 0.00 C ATOM 1440 OG SER A 87 7.078 -2.289 12.232 1.00 0.00 O ATOM 0 H SER A 87 9.999 -1.478 10.068 1.00 0.00 H new ATOM 0 HA SER A 87 7.485 -2.945 9.731 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.705 -0.455 11.499 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.187 -1.035 10.843 1.00 0.00 H new ATOM 0 HG SER A 87 6.599 -1.878 12.982 1.00 0.00 H new ATOM 1446 N TRP A 88 6.730 -1.388 7.870 1.00 0.00 N ATOM 1447 CA TRP A 88 6.455 -0.628 6.612 1.00 0.00 C ATOM 1448 C TRP A 88 5.762 0.750 6.870 1.00 0.00 C ATOM 1449 O TRP A 88 4.745 0.828 7.566 1.00 0.00 O ATOM 1450 CB TRP A 88 5.570 -1.481 5.657 1.00 0.00 C ATOM 1451 CG TRP A 88 6.272 -2.657 4.967 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.984 -4.027 5.146 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.211 -2.605 3.955 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.750 -4.841 4.287 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.489 -3.935 3.545 1.00 0.00 C ATOM 1456 CE3 TRP A 88 7.787 -1.504 3.267 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.336 -4.172 2.441 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.617 -1.765 2.178 1.00 0.00 C ATOM 1459 CH2 TRP A 88 8.890 -3.077 1.775 1.00 0.00 C ATOM 0 H TRP A 88 6.036 -2.107 8.077 1.00 0.00 H new ATOM 0 HA TRP A 88 7.422 -0.423 6.153 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.725 -1.870 6.226 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.161 -0.825 4.888 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.264 -4.406 5.856 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.758 -5.859 4.226 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.587 -0.490 3.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.551 -5.180 2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.057 -0.941 1.636 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.543 -3.246 0.931 1.00 0.00 H new ATOM 1470 N ASP A 89 6.292 1.826 6.261 1.00 0.00 N ATOM 1471 CA ASP A 89 5.725 3.197 6.379 1.00 0.00 C ATOM 1472 C ASP A 89 5.729 3.911 4.982 1.00 0.00 C ATOM 1473 O ASP A 89 6.597 4.743 4.704 1.00 0.00 O ATOM 1474 CB ASP A 89 6.545 3.918 7.489 1.00 0.00 C ATOM 1475 CG ASP A 89 6.029 5.289 7.923 1.00 0.00 C ATOM 1476 OD1 ASP A 89 4.857 5.647 7.847 1.00 0.00 O ATOM 1477 OD2 ASP A 89 7.023 6.071 8.426 1.00 0.00 O ATOM 0 H ASP A 89 7.124 1.778 5.673 1.00 0.00 H new ATOM 0 HA ASP A 89 4.676 3.200 6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.579 3.271 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.571 4.033 7.138 1.00 0.00 H new ATOM 1483 N GLY A 90 4.748 3.595 4.108 1.00 0.00 N ATOM 1484 CA GLY A 90 4.524 4.341 2.830 1.00 0.00 C ATOM 1485 C GLY A 90 5.646 4.283 1.769 1.00 0.00 C ATOM 1486 O GLY A 90 6.427 5.227 1.653 1.00 0.00 O ATOM 0 H GLY A 90 4.092 2.828 4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.609 3.962 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.347 5.388 3.077 1.00 0.00 H new ATOM 1490 N ASP A 91 5.758 3.161 1.037 1.00 0.00 N ATOM 1491 CA ASP A 91 6.936 2.836 0.159 1.00 0.00 C ATOM 1492 C ASP A 91 8.337 2.642 0.850 1.00 0.00 C ATOM 1493 O ASP A 91 9.328 2.389 0.157 1.00 0.00 O ATOM 1494 CB ASP A 91 6.990 3.765 -1.092 1.00 0.00 C ATOM 1495 CG ASP A 91 5.928 3.481 -2.153 1.00 0.00 C ATOM 1496 OD1 ASP A 91 6.086 2.693 -3.079 1.00 0.00 O ATOM 1497 OD2 ASP A 91 4.787 4.199 -1.957 1.00 0.00 O ATOM 0 H ASP A 91 5.038 2.438 1.026 1.00 0.00 H new ATOM 0 HA ASP A 91 6.726 1.817 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.886 4.799 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.974 3.674 -1.551 1.00 0.00 H new ATOM 1503 N LYS A 92 8.429 2.728 2.190 1.00 0.00 N ATOM 1504 CA LYS A 92 9.718 2.809 2.922 1.00 0.00 C ATOM 1505 C LYS A 92 9.699 1.831 4.134 1.00 0.00 C ATOM 1506 O LYS A 92 8.727 1.753 4.893 1.00 0.00 O ATOM 1507 CB LYS A 92 9.993 4.269 3.387 1.00 0.00 C ATOM 1508 CG LYS A 92 9.976 5.351 2.277 1.00 0.00 C ATOM 1509 CD LYS A 92 10.793 6.606 2.633 1.00 0.00 C ATOM 1510 CE LYS A 92 10.841 7.614 1.475 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.720 8.745 1.831 1.00 0.00 N ATOM 0 H LYS A 92 7.613 2.744 2.802 1.00 0.00 H new ATOM 0 HA LYS A 92 10.526 2.516 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.250 4.536 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.966 4.296 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.368 4.921 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.944 5.642 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.358 7.084 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.808 6.313 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.208 7.127 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.837 7.977 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.748 9.424 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.352 9.217 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.680 8.393 2.019 1.00 0.00 H new ATOM 1524 N LEU A 93 10.795 1.091 4.327 1.00 0.00 N ATOM 1525 CA LEU A 93 10.949 0.145 5.460 1.00 0.00 C ATOM 1526 C LEU A 93 11.707 0.839 6.634 1.00 0.00 C ATOM 1527 O LEU A 93 12.912 1.102 6.545 1.00 0.00 O ATOM 1528 CB LEU A 93 11.675 -1.097 4.881 1.00 0.00 C ATOM 1529 CG LEU A 93 11.773 -2.326 5.814 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.411 -3.026 5.977 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.803 -3.326 5.268 1.00 0.00 C ATOM 0 H LEU A 93 11.605 1.124 3.708 1.00 0.00 H new ATOM 0 HA LEU A 93 9.998 -0.170 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.162 -1.400 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.685 -0.802 4.596 1.00 0.00 H new ATOM 0 HG LEU A 93 12.091 -1.969 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.520 -3.885 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.692 -2.327 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.056 -3.362 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.863 -4.187 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.499 -3.656 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.780 -2.846 5.207 1.00 0.00 H new ATOM 1543 N GLN A 94 10.990 1.139 7.728 1.00 0.00 N ATOM 1544 CA GLN A 94 11.581 1.734 8.955 1.00 0.00 C ATOM 1545 C GLN A 94 12.135 0.640 9.914 1.00 0.00 C ATOM 1546 O GLN A 94 11.497 -0.395 10.126 1.00 0.00 O ATOM 1547 CB GLN A 94 10.477 2.550 9.691 1.00 0.00 C ATOM 1548 CG GLN A 94 10.161 3.962 9.128 1.00 0.00 C ATOM 1549 CD GLN A 94 11.276 5.018 9.182 1.00 0.00 C ATOM 1550 OE1 GLN A 94 11.539 5.722 8.215 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.987 5.177 10.273 1.00 0.00 N ATOM 0 H GLN A 94 9.985 0.979 7.795 1.00 0.00 H new ATOM 0 HA GLN A 94 12.413 2.376 8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.557 1.965 9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.773 2.658 10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.857 3.848 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.301 4.354 9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.793 4.606 11.096 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.734 5.871 10.298 1.00 0.00 H new ATOM 1560 N CYS A 95 13.285 0.910 10.546 1.00 0.00 N ATOM 1561 CA CYS A 95 13.883 0.018 11.568 1.00 0.00 C ATOM 1562 C CYS A 95 14.343 0.818 12.816 1.00 0.00 C ATOM 1563 O CYS A 95 14.999 1.860 12.698 1.00 0.00 O ATOM 1564 CB CYS A 95 15.069 -0.712 10.916 1.00 0.00 C ATOM 1565 SG CYS A 95 15.933 -1.785 12.111 1.00 0.00 S ATOM 0 H CYS A 95 13.833 1.752 10.368 1.00 0.00 H new ATOM 0 HA CYS A 95 13.140 -0.701 11.914 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.712 -1.312 10.079 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.768 0.019 10.510 1.00 0.00 H new ATOM 0 HG CYS A 95 16.784 -2.539 11.481 1.00 0.00 H new ATOM 1571 N VAL A 96 14.040 0.292 14.015 1.00 0.00 N ATOM 1572 CA VAL A 96 14.518 0.871 15.304 1.00 0.00 C ATOM 1573 C VAL A 96 15.203 -0.249 16.161 1.00 0.00 C ATOM 1574 O VAL A 96 14.559 -1.223 16.566 1.00 0.00 O ATOM 1575 CB VAL A 96 13.369 1.665 16.019 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.147 0.829 16.467 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.885 2.483 17.224 1.00 0.00 C ATOM 0 H VAL A 96 13.462 -0.540 14.129 1.00 0.00 H new ATOM 0 HA VAL A 96 15.291 1.620 15.131 1.00 0.00 H new ATOM 0 HB VAL A 96 13.014 2.329 15.231 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.417 1.480 16.948 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.692 0.355 15.597 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.469 0.062 17.171 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.053 3.015 17.686 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.336 1.811 17.954 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.631 3.201 16.884 1.00 0.00 H new ATOM 1587 N GLN A 97 16.510 -0.098 16.437 1.00 0.00 N ATOM 1588 CA GLN A 97 17.294 -1.023 17.306 1.00 0.00 C ATOM 1589 C GLN A 97 17.303 -0.493 18.777 1.00 0.00 C ATOM 1590 O GLN A 97 18.052 0.429 19.118 1.00 0.00 O ATOM 1591 CB GLN A 97 18.729 -1.131 16.714 1.00 0.00 C ATOM 1592 CG GLN A 97 18.871 -1.948 15.400 1.00 0.00 C ATOM 1593 CD GLN A 97 19.681 -1.290 14.279 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.908 -1.307 14.259 1.00 0.00 O ATOM 1595 NE2 GLN A 97 19.032 -0.702 13.306 1.00 0.00 N ATOM 0 H GLN A 97 17.066 0.672 16.065 1.00 0.00 H new ATOM 0 HA GLN A 97 16.845 -2.016 17.331 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.101 -0.123 16.532 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.377 -1.579 17.467 1.00 0.00 H new ATOM 0 HG2 GLN A 97 19.333 -2.905 15.640 1.00 0.00 H new ATOM 0 HG3 GLN A 97 17.872 -2.163 15.020 1.00 0.00 H new ATOM 0 HE21 GLN A 97 18.012 -0.682 13.312 1.00 0.00 H new ATOM 0 HE22 GLN A 97 19.546 -0.264 12.542 1.00 0.00 H new ATOM 1604 N LYS A 98 16.454 -1.064 19.647 1.00 0.00 N ATOM 1605 CA LYS A 98 16.190 -0.508 21.004 1.00 0.00 C ATOM 1606 C LYS A 98 17.143 -1.125 22.077 1.00 0.00 C ATOM 1607 O LYS A 98 17.139 -2.339 22.307 1.00 0.00 O ATOM 1608 CB LYS A 98 14.709 -0.765 21.400 1.00 0.00 C ATOM 1609 CG LYS A 98 13.619 -0.166 20.478 1.00 0.00 C ATOM 1610 CD LYS A 98 12.197 -0.423 21.014 1.00 0.00 C ATOM 1611 CE LYS A 98 11.109 0.044 20.036 1.00 0.00 C ATOM 1612 NZ LYS A 98 9.773 -0.150 20.631 1.00 0.00 N ATOM 0 H LYS A 98 15.931 -1.916 19.442 1.00 0.00 H new ATOM 0 HA LYS A 98 16.380 0.565 20.968 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.554 -1.843 21.451 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.555 -0.373 22.405 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.779 0.908 20.379 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.713 -0.596 19.481 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.073 -1.488 21.210 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.072 0.093 21.966 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.257 1.096 19.791 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.184 -0.514 19.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.045 0.169 19.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.630 -1.158 20.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.701 0.402 21.509 1.00 0.00 H new ATOM 1625 N GLY A 99 17.931 -0.288 22.766 1.00 0.00 N ATOM 1626 CA GLY A 99 18.752 -0.752 23.914 1.00 0.00 C ATOM 1627 C GLY A 99 19.801 0.268 24.385 1.00 0.00 C ATOM 1628 O GLY A 99 19.458 1.242 25.058 1.00 0.00 O ATOM 0 H GLY A 99 18.023 0.706 22.558 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.091 -0.989 24.748 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.258 -1.676 23.635 1.00 0.00 H new ATOM 1632 N GLU A 100 21.079 0.019 24.067 1.00 0.00 N ATOM 1633 CA GLU A 100 22.214 0.840 24.588 1.00 0.00 C ATOM 1634 C GLU A 100 22.541 2.126 23.755 1.00 0.00 C ATOM 1635 O GLU A 100 22.727 3.192 24.348 1.00 0.00 O ATOM 1636 CB GLU A 100 23.418 -0.117 24.805 1.00 0.00 C ATOM 1637 CG GLU A 100 24.541 0.423 25.729 1.00 0.00 C ATOM 1638 CD GLU A 100 25.553 1.362 25.071 1.00 0.00 C ATOM 1639 OE1 GLU A 100 26.239 1.055 24.101 1.00 0.00 O ATOM 1640 OE2 GLU A 100 25.615 2.574 25.689 1.00 0.00 O ATOM 0 H GLU A 100 21.367 -0.742 23.452 1.00 0.00 H new ATOM 0 HA GLU A 100 21.925 1.283 25.541 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.046 -1.052 25.223 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.852 -0.353 23.833 1.00 0.00 H new ATOM 0 HG2 GLU A 100 24.077 0.948 26.564 1.00 0.00 H new ATOM 0 HG3 GLU A 100 25.081 -0.427 26.147 1.00 0.00 H new ATOM 1648 N LYS A 101 22.635 2.046 22.413 1.00 0.00 N ATOM 1649 CA LYS A 101 22.928 3.230 21.557 1.00 0.00 C ATOM 1650 C LYS A 101 21.671 4.130 21.334 1.00 0.00 C ATOM 1651 O LYS A 101 20.569 3.659 21.033 1.00 0.00 O ATOM 1652 CB LYS A 101 23.525 2.795 20.195 1.00 0.00 C ATOM 1653 CG LYS A 101 24.871 2.043 20.206 1.00 0.00 C ATOM 1654 CD LYS A 101 26.042 2.759 20.912 1.00 0.00 C ATOM 1655 CE LYS A 101 27.401 2.050 20.782 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.440 0.737 21.460 1.00 0.00 N ATOM 0 H LYS A 101 22.514 1.178 21.892 1.00 0.00 H new ATOM 0 HA LYS A 101 23.666 3.828 22.093 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.792 2.162 19.695 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.646 3.688 19.582 1.00 0.00 H new ATOM 0 HG2 LYS A 101 24.720 1.076 20.686 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.162 1.845 19.174 1.00 0.00 H new ATOM 0 HD2 LYS A 101 26.133 3.766 20.505 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.802 2.863 21.970 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.633 1.913 19.726 1.00 0.00 H new ATOM 0 HE3 LYS A 101 28.179 2.690 21.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.420 0.513 21.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 26.848 0.770 22.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.080 0.003 20.817 1.00 0.00 H new ATOM 1669 N GLU A 102 21.867 5.446 21.486 1.00 0.00 N ATOM 1670 CA GLU A 102 20.747 6.428 21.569 1.00 0.00 C ATOM 1671 C GLU A 102 20.317 6.946 20.160 1.00 0.00 C ATOM 1672 O GLU A 102 21.065 7.657 19.482 1.00 0.00 O ATOM 1673 CB GLU A 102 21.109 7.526 22.610 1.00 0.00 C ATOM 1674 CG GLU A 102 22.192 8.562 22.212 1.00 0.00 C ATOM 1675 CD GLU A 102 22.922 9.191 23.393 1.00 0.00 C ATOM 1676 OE1 GLU A 102 23.859 8.650 23.973 1.00 0.00 O ATOM 1677 OE2 GLU A 102 22.420 10.412 23.729 1.00 0.00 O ATOM 0 H GLU A 102 22.792 5.870 21.556 1.00 0.00 H new ATOM 0 HA GLU A 102 19.843 5.944 21.938 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.197 8.070 22.855 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.439 7.029 23.522 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.923 8.076 21.565 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.724 9.353 21.626 1.00 0.00 H new ATOM 1685 N GLY A 103 19.129 6.537 19.690 1.00 0.00 N ATOM 1686 CA GLY A 103 18.727 6.744 18.268 1.00 0.00 C ATOM 1687 C GLY A 103 19.340 5.801 17.210 1.00 0.00 C ATOM 1688 O GLY A 103 19.671 6.263 16.117 1.00 0.00 O ATOM 0 H GLY A 103 18.427 6.064 20.259 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.642 6.656 18.209 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.979 7.768 17.993 1.00 0.00 H new ATOM 1692 N ARG A 104 19.454 4.496 17.509 1.00 0.00 N ATOM 1693 CA ARG A 104 19.981 3.489 16.554 1.00 0.00 C ATOM 1694 C ARG A 104 18.839 2.951 15.632 1.00 0.00 C ATOM 1695 O ARG A 104 17.870 2.346 16.100 1.00 0.00 O ATOM 1696 CB ARG A 104 20.709 2.395 17.376 1.00 0.00 C ATOM 1697 CG ARG A 104 21.549 1.399 16.537 1.00 0.00 C ATOM 1698 CD ARG A 104 22.183 0.285 17.395 1.00 0.00 C ATOM 1699 NE ARG A 104 22.554 -0.880 16.554 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.142 -1.988 17.001 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.604 -2.144 18.224 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.263 -2.988 16.173 1.00 0.00 N ATOM 0 H ARG A 104 19.187 4.105 18.412 1.00 0.00 H new ATOM 0 HA ARG A 104 20.706 3.926 15.867 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.364 2.880 18.100 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.967 1.834 17.944 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.915 0.948 15.774 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.337 1.943 16.016 1.00 0.00 H new ATOM 0 HD2 ARG A 104 23.068 0.669 17.903 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.482 -0.028 18.169 1.00 0.00 H new ATOM 0 HE ARG A 104 22.342 -0.828 15.558 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.522 -1.385 18.901 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.043 -3.024 18.495 1.00 0.00 H new ATOM 0 HH21 ARG A 104 22.913 -2.905 15.219 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.708 -3.853 16.480 1.00 0.00 H new ATOM 1716 N GLY A 105 18.954 3.186 14.319 1.00 0.00 N ATOM 1717 CA GLY A 105 17.897 2.801 13.351 1.00 0.00 C ATOM 1718 C GLY A 105 18.272 2.982 11.868 1.00 0.00 C ATOM 1719 O GLY A 105 19.382 3.395 11.518 1.00 0.00 O ATOM 0 H GLY A 105 19.763 3.639 13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.636 1.756 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.004 3.390 13.558 1.00 0.00 H new ATOM 1723 N TRP A 106 17.316 2.669 10.983 1.00 0.00 N ATOM 1724 CA TRP A 106 17.454 2.948 9.523 1.00 0.00 C ATOM 1725 C TRP A 106 16.093 3.100 8.768 1.00 0.00 C ATOM 1726 O TRP A 106 15.048 2.609 9.200 1.00 0.00 O ATOM 1727 CB TRP A 106 18.459 1.983 8.808 1.00 0.00 C ATOM 1728 CG TRP A 106 18.278 0.462 8.910 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.094 -0.382 9.691 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.377 -0.378 8.276 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.712 -1.733 9.582 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.643 -1.706 8.702 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.296 -0.111 7.399 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.815 -2.769 8.270 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.484 -1.171 7.001 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.742 -2.482 7.425 1.00 0.00 C ATOM 0 H TRP A 106 16.435 2.223 11.239 1.00 0.00 H new ATOM 0 HA TRP A 106 17.905 3.939 9.469 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.453 2.238 7.748 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.454 2.216 9.186 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.915 -0.034 10.301 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.126 -2.543 10.044 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.106 0.892 7.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.010 -3.783 8.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.641 -0.979 6.354 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.099 -3.284 7.092 1.00 0.00 H new ATOM 1747 N THR A 107 16.129 3.772 7.603 1.00 0.00 N ATOM 1748 CA THR A 107 14.987 3.834 6.644 1.00 0.00 C ATOM 1749 C THR A 107 15.488 3.316 5.253 1.00 0.00 C ATOM 1750 O THR A 107 16.405 3.905 4.666 1.00 0.00 O ATOM 1751 CB THR A 107 14.422 5.282 6.525 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.050 5.794 7.797 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.153 5.366 5.663 1.00 0.00 C ATOM 0 H THR A 107 16.949 4.292 7.290 1.00 0.00 H new ATOM 0 HA THR A 107 14.173 3.207 7.007 1.00 0.00 H new ATOM 0 HB THR A 107 15.229 5.854 6.068 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.119 6.100 7.767 1.00 0.00 H new ATOM 0 HG21 THR A 107 12.810 6.400 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.374 5.015 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.373 4.743 6.102 1.00 0.00 H new ATOM 1761 N GLN A 108 14.877 2.244 4.716 1.00 0.00 N ATOM 1762 CA GLN A 108 15.253 1.667 3.390 1.00 0.00 C ATOM 1763 C GLN A 108 14.107 1.823 2.340 1.00 0.00 C ATOM 1764 O GLN A 108 12.952 1.487 2.613 1.00 0.00 O ATOM 1765 CB GLN A 108 15.645 0.182 3.608 1.00 0.00 C ATOM 1766 CG GLN A 108 16.367 -0.476 2.407 1.00 0.00 C ATOM 1767 CD GLN A 108 16.760 -1.939 2.636 1.00 0.00 C ATOM 1768 OE1 GLN A 108 15.926 -2.836 2.691 1.00 0.00 O ATOM 1769 NE2 GLN A 108 18.033 -2.238 2.750 1.00 0.00 N ATOM 0 H GLN A 108 14.113 1.749 5.176 1.00 0.00 H new ATOM 0 HA GLN A 108 16.102 2.213 2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.290 0.115 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.744 -0.389 3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.720 -0.418 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.265 0.098 2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 108 18.736 -1.500 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 108 18.319 -3.208 2.883 1.00 0.00 H new ATOM 1778 N TRP A 109 14.426 2.295 1.122 1.00 0.00 N ATOM 1779 CA TRP A 109 13.428 2.440 0.016 1.00 0.00 C ATOM 1780 C TRP A 109 14.053 2.234 -1.407 1.00 0.00 C ATOM 1781 O TRP A 109 15.271 2.112 -1.563 1.00 0.00 O ATOM 1782 CB TRP A 109 12.647 3.776 0.197 1.00 0.00 C ATOM 1783 CG TRP A 109 13.362 5.082 -0.179 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.295 5.713 -1.438 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.177 5.885 0.597 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.047 6.901 -1.467 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.575 6.991 -0.194 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.643 5.753 1.931 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.435 7.974 0.338 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.487 6.740 2.440 1.00 0.00 C ATOM 1791 CH2 TRP A 109 15.875 7.835 1.655 1.00 0.00 C ATOM 0 H TRP A 109 15.369 2.587 0.865 1.00 0.00 H new ATOM 0 HA TRP A 109 12.702 1.630 0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.734 3.712 -0.394 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.346 3.848 1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.734 5.330 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.173 7.546 -2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.351 4.908 2.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 15.747 8.817 -0.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 15.847 6.659 3.455 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.527 8.585 2.078 1.00 0.00 H new ATOM 1802 N ILE A 110 13.207 2.203 -2.457 1.00 0.00 N ATOM 1803 CA ILE A 110 13.672 2.126 -3.879 1.00 0.00 C ATOM 1804 C ILE A 110 13.293 3.444 -4.641 1.00 0.00 C ATOM 1805 O ILE A 110 12.144 3.898 -4.622 1.00 0.00 O ATOM 1806 CB ILE A 110 13.167 0.805 -4.572 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.877 -0.449 -3.986 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.364 0.790 -6.115 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.201 -1.791 -4.301 1.00 0.00 C ATOM 0 H ILE A 110 12.192 2.230 -2.358 1.00 0.00 H new ATOM 0 HA ILE A 110 14.760 2.060 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 110 12.097 0.778 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.899 -0.478 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.941 -0.338 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.992 -0.151 -6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.814 1.619 -6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.424 0.892 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.772 -2.601 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.188 -1.792 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.162 -1.934 -5.381 1.00 0.00 H new ATOM 1821 N GLU A 111 14.267 3.987 -5.389 1.00 0.00 N ATOM 1822 CA GLU A 111 14.023 4.993 -6.464 1.00 0.00 C ATOM 1823 C GLU A 111 14.337 4.339 -7.851 1.00 0.00 C ATOM 1824 O GLU A 111 15.470 4.389 -8.345 1.00 0.00 O ATOM 1825 CB GLU A 111 14.885 6.259 -6.196 1.00 0.00 C ATOM 1826 CG GLU A 111 14.353 7.190 -5.084 1.00 0.00 C ATOM 1827 CD GLU A 111 15.269 8.380 -4.788 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.716 9.136 -5.645 1.00 0.00 O ATOM 1829 OE2 GLU A 111 15.538 8.511 -3.460 1.00 0.00 O ATOM 0 H GLU A 111 15.252 3.748 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 111 12.980 5.308 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.894 5.943 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.961 6.830 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.370 7.562 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.218 6.611 -4.171 1.00 0.00 H new ATOM 1837 N GLY A 112 13.325 3.697 -8.470 1.00 0.00 N ATOM 1838 CA GLY A 112 13.477 3.006 -9.782 1.00 0.00 C ATOM 1839 C GLY A 112 14.418 1.777 -9.792 1.00 0.00 C ATOM 1840 O GLY A 112 14.069 0.712 -9.281 1.00 0.00 O ATOM 0 H GLY A 112 12.383 3.639 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.491 2.687 -10.120 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.846 3.728 -10.511 1.00 0.00 H new ATOM 1844 N ASP A 113 15.619 1.953 -10.357 1.00 0.00 N ATOM 1845 CA ASP A 113 16.736 0.969 -10.227 1.00 0.00 C ATOM 1846 C ASP A 113 17.664 1.084 -8.964 1.00 0.00 C ATOM 1847 O ASP A 113 18.511 0.204 -8.776 1.00 0.00 O ATOM 1848 CB ASP A 113 17.553 0.993 -11.548 1.00 0.00 C ATOM 1849 CG ASP A 113 18.316 2.285 -11.877 1.00 0.00 C ATOM 1850 OD1 ASP A 113 19.438 2.545 -11.457 1.00 0.00 O ATOM 1851 OD2 ASP A 113 17.596 3.123 -12.672 1.00 0.00 O ATOM 0 H ASP A 113 15.857 2.772 -10.917 1.00 0.00 H new ATOM 0 HA ASP A 113 16.259 0.004 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.272 0.175 -11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.870 0.785 -12.372 1.00 0.00 H new ATOM 1857 N GLU A 114 17.552 2.138 -8.131 1.00 0.00 N ATOM 1858 CA GLU A 114 18.451 2.361 -6.970 1.00 0.00 C ATOM 1859 C GLU A 114 17.758 2.032 -5.613 1.00 0.00 C ATOM 1860 O GLU A 114 16.629 2.445 -5.347 1.00 0.00 O ATOM 1861 CB GLU A 114 18.990 3.817 -6.988 1.00 0.00 C ATOM 1862 CG GLU A 114 20.055 4.095 -8.081 1.00 0.00 C ATOM 1863 CD GLU A 114 20.657 5.500 -8.083 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.484 6.345 -7.208 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.433 5.711 -9.180 1.00 0.00 O ATOM 0 H GLU A 114 16.839 2.860 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 114 19.291 1.672 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.152 4.499 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.421 4.044 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.864 3.374 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.603 3.913 -9.056 1.00 0.00 H new ATOM 1873 N LEU A 115 18.488 1.323 -4.741 1.00 0.00 N ATOM 1874 CA LEU A 115 18.119 1.133 -3.314 1.00 0.00 C ATOM 1875 C LEU A 115 18.782 2.256 -2.453 1.00 0.00 C ATOM 1876 O LEU A 115 20.008 2.412 -2.432 1.00 0.00 O ATOM 1877 CB LEU A 115 18.580 -0.299 -2.926 1.00 0.00 C ATOM 1878 CG LEU A 115 18.380 -0.757 -1.459 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.922 -1.170 -1.232 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.296 -1.947 -1.127 1.00 0.00 C ATOM 0 H LEU A 115 19.359 0.858 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 115 17.047 1.216 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 115 18.055 -1.004 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.641 -0.383 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 115 18.634 0.079 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.791 -1.490 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.268 -0.322 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.668 -1.992 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.138 -2.250 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.064 -2.781 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.337 -1.654 -1.264 1.00 0.00 H new ATOM 1892 N HIS A 116 17.956 3.025 -1.736 1.00 0.00 N ATOM 1893 CA HIS A 116 18.421 4.145 -0.876 1.00 0.00 C ATOM 1894 C HIS A 116 18.234 3.752 0.619 1.00 0.00 C ATOM 1895 O HIS A 116 17.118 3.469 1.070 1.00 0.00 O ATOM 1896 CB HIS A 116 17.627 5.429 -1.235 1.00 0.00 C ATOM 1897 CG HIS A 116 18.083 6.153 -2.504 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.835 5.699 -3.793 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.824 7.347 -2.532 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.484 6.679 -4.499 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.092 7.712 -3.839 1.00 0.00 N ATOM 0 H HIS A 116 16.944 2.898 -1.728 1.00 0.00 H new ATOM 0 HA HIS A 116 19.479 4.345 -1.044 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.575 5.165 -1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.695 6.123 -0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.139 7.900 -1.659 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.515 6.636 -5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.597 8.519 -4.205 1.00 0.00 H new ATOM 1909 N LEU A 117 19.340 3.743 1.379 1.00 0.00 N ATOM 1910 CA LEU A 117 19.336 3.409 2.827 1.00 0.00 C ATOM 1911 C LEU A 117 19.889 4.616 3.646 1.00 0.00 C ATOM 1912 O LEU A 117 21.070 4.967 3.536 1.00 0.00 O ATOM 1913 CB LEU A 117 20.159 2.101 3.021 1.00 0.00 C ATOM 1914 CG LEU A 117 20.255 1.562 4.473 1.00 0.00 C ATOM 1915 CD1 LEU A 117 18.913 1.053 5.011 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.272 0.419 4.581 1.00 0.00 C ATOM 0 H LEU A 117 20.266 3.966 1.015 1.00 0.00 H new ATOM 0 HA LEU A 117 18.327 3.228 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.720 1.324 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.170 2.274 2.652 1.00 0.00 H new ATOM 0 HG LEU A 117 20.575 2.414 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.044 0.689 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.187 1.866 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.552 0.241 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.314 0.065 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 117 20.970 -0.400 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.256 0.778 4.280 1.00 0.00 H new ATOM 1928 N GLU A 118 19.051 5.213 4.511 1.00 0.00 N ATOM 1929 CA GLU A 118 19.524 6.189 5.537 1.00 0.00 C ATOM 1930 C GLU A 118 19.694 5.475 6.908 1.00 0.00 C ATOM 1931 O GLU A 118 18.760 4.819 7.372 1.00 0.00 O ATOM 1932 CB GLU A 118 18.544 7.382 5.680 1.00 0.00 C ATOM 1933 CG GLU A 118 18.481 8.321 4.456 1.00 0.00 C ATOM 1934 CD GLU A 118 17.655 9.581 4.703 1.00 0.00 C ATOM 1935 OE1 GLU A 118 16.471 9.687 4.398 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.391 10.565 5.300 1.00 0.00 O ATOM 0 H GLU A 118 18.045 5.045 4.529 1.00 0.00 H new ATOM 0 HA GLU A 118 20.486 6.583 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.545 6.992 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 118 18.831 7.967 6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.494 8.608 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.058 7.777 3.611 1.00 0.00 H new ATOM 1944 N MET A 119 20.864 5.605 7.554 1.00 0.00 N ATOM 1945 CA MET A 119 21.175 4.882 8.822 1.00 0.00 C ATOM 1946 C MET A 119 21.546 5.877 9.963 1.00 0.00 C ATOM 1947 O MET A 119 22.405 6.743 9.785 1.00 0.00 O ATOM 1948 CB MET A 119 22.322 3.862 8.613 1.00 0.00 C ATOM 1949 CG MET A 119 22.145 2.798 7.513 1.00 0.00 C ATOM 1950 SD MET A 119 23.456 1.564 7.614 1.00 0.00 S ATOM 1951 CE MET A 119 24.841 2.513 6.965 1.00 0.00 C ATOM 0 H MET A 119 21.621 6.205 7.226 1.00 0.00 H new ATOM 0 HA MET A 119 20.276 4.340 9.117 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.232 4.421 8.395 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.485 3.343 9.558 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.174 2.315 7.619 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.160 3.274 6.532 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.682 1.846 6.776 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.546 2.998 6.034 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.135 3.271 7.691 1.00 0.00 H new ATOM 1961 N ARG A 120 20.915 5.738 11.139 1.00 0.00 N ATOM 1962 CA ARG A 120 21.072 6.691 12.279 1.00 0.00 C ATOM 1963 C ARG A 120 21.684 5.983 13.527 1.00 0.00 C ATOM 1964 O ARG A 120 21.304 4.851 13.844 1.00 0.00 O ATOM 1965 CB ARG A 120 19.677 7.269 12.645 1.00 0.00 C ATOM 1966 CG ARG A 120 19.000 8.132 11.546 1.00 0.00 C ATOM 1967 CD ARG A 120 17.530 8.508 11.829 1.00 0.00 C ATOM 1968 NE ARG A 120 16.615 7.330 11.850 1.00 0.00 N ATOM 1969 CZ ARG A 120 16.105 6.722 10.779 1.00 0.00 C ATOM 1970 NH1 ARG A 120 16.351 7.070 9.534 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.308 5.710 10.980 1.00 0.00 N ATOM 0 H ARG A 120 20.279 4.966 11.339 1.00 0.00 H new ATOM 0 HA ARG A 120 21.749 7.490 11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.013 6.440 12.891 1.00 0.00 H new ATOM 0 HB3 ARG A 120 19.779 7.874 13.546 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.576 9.048 11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.046 7.592 10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.472 9.022 12.788 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.189 9.211 11.069 1.00 0.00 H new ATOM 0 HE ARG A 120 16.357 6.957 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 120 16.971 7.856 9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 120 15.922 6.554 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.095 5.410 11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.898 5.219 10.186 1.00 0.00 H new ATOM 1985 N ALA A 121 22.609 6.646 14.247 1.00 0.00 N ATOM 1986 CA ALA A 121 23.108 6.168 15.570 1.00 0.00 C ATOM 1987 C ALA A 121 23.796 7.316 16.362 1.00 0.00 C ATOM 1988 O ALA A 121 24.638 8.035 15.817 1.00 0.00 O ATOM 1989 CB ALA A 121 24.086 4.990 15.407 1.00 0.00 C ATOM 0 H ALA A 121 23.034 7.521 13.940 1.00 0.00 H new ATOM 0 HA ALA A 121 22.240 5.826 16.134 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.431 4.665 16.389 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.580 4.163 14.908 1.00 0.00 H new ATOM 0 HB3 ALA A 121 24.940 5.306 14.808 1.00 0.00 H new ATOM 1995 N GLU A 122 23.447 7.501 17.653 1.00 0.00 N ATOM 1996 CA GLU A 122 23.968 8.631 18.503 1.00 0.00 C ATOM 1997 C GLU A 122 23.732 10.079 17.924 1.00 0.00 C ATOM 1998 O GLU A 122 24.611 10.944 17.983 1.00 0.00 O ATOM 1999 CB GLU A 122 25.444 8.361 18.940 1.00 0.00 C ATOM 2000 CG GLU A 122 25.738 7.066 19.749 1.00 0.00 C ATOM 2001 CD GLU A 122 25.661 7.213 21.270 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.339 8.009 21.910 1.00 0.00 O ATOM 2003 OE2 GLU A 122 24.764 6.362 21.844 1.00 0.00 O ATOM 0 H GLU A 122 22.802 6.885 18.147 1.00 0.00 H new ATOM 0 HA GLU A 122 23.349 8.637 19.400 1.00 0.00 H new ATOM 0 HB2 GLU A 122 26.060 8.341 18.041 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.777 9.211 19.536 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.032 6.296 19.439 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.734 6.711 19.485 1.00 0.00 H new ATOM 2011 N GLY A 123 22.557 10.327 17.311 1.00 0.00 N ATOM 2012 CA GLY A 123 22.349 11.508 16.421 1.00 0.00 C ATOM 2013 C GLY A 123 22.995 11.548 15.005 1.00 0.00 C ATOM 2014 O GLY A 123 22.641 12.431 14.222 1.00 0.00 O ATOM 0 H GLY A 123 21.734 9.732 17.410 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.274 11.627 16.289 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.702 12.386 16.962 1.00 0.00 H new ATOM 2018 N VAL A 124 23.927 10.645 14.660 1.00 0.00 N ATOM 2019 CA VAL A 124 24.721 10.715 13.399 1.00 0.00 C ATOM 2020 C VAL A 124 23.964 9.959 12.260 1.00 0.00 C ATOM 2021 O VAL A 124 23.691 8.762 12.380 1.00 0.00 O ATOM 2022 CB VAL A 124 26.156 10.131 13.634 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.012 10.109 12.352 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.985 10.876 14.710 1.00 0.00 C ATOM 0 H VAL A 124 24.160 9.840 15.241 1.00 0.00 H new ATOM 0 HA VAL A 124 24.837 11.755 13.092 1.00 0.00 H new ATOM 0 HB VAL A 124 25.945 9.119 13.980 1.00 0.00 H new ATOM 0 HG11 VAL A 124 27.994 9.694 12.578 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.522 9.493 11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.125 11.125 11.973 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.963 10.405 14.807 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.112 11.918 14.415 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.464 10.831 15.667 1.00 0.00 H new ATOM 2034 N THR A 125 23.686 10.655 11.143 1.00 0.00 N ATOM 2035 CA THR A 125 23.018 10.047 9.953 1.00 0.00 C ATOM 2036 C THR A 125 24.052 9.750 8.814 1.00 0.00 C ATOM 2037 O THR A 125 24.747 10.649 8.327 1.00 0.00 O ATOM 2038 CB THR A 125 21.836 10.950 9.485 1.00 0.00 C ATOM 2039 OG1 THR A 125 20.954 11.206 10.575 1.00 0.00 O ATOM 2040 CG2 THR A 125 20.961 10.327 8.382 1.00 0.00 C ATOM 0 H THR A 125 23.910 11.643 11.029 1.00 0.00 H new ATOM 0 HA THR A 125 22.595 9.082 10.232 1.00 0.00 H new ATOM 0 HB THR A 125 22.315 11.848 9.096 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.216 11.775 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.163 11.020 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.573 10.123 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.526 9.396 8.745 1.00 0.00 H new ATOM 2048 N CYS A 126 24.110 8.485 8.370 1.00 0.00 N ATOM 2049 CA CYS A 126 24.786 8.078 7.109 1.00 0.00 C ATOM 2050 C CYS A 126 23.769 7.851 5.944 1.00 0.00 C ATOM 2051 O CYS A 126 22.653 7.368 6.161 1.00 0.00 O ATOM 2052 CB CYS A 126 25.582 6.797 7.439 1.00 0.00 C ATOM 2053 SG CYS A 126 26.278 6.021 5.941 1.00 0.00 S ATOM 0 H CYS A 126 23.689 7.704 8.873 1.00 0.00 H new ATOM 0 HA CYS A 126 25.449 8.867 6.753 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.389 7.039 8.130 1.00 0.00 H new ATOM 0 HB3 CYS A 126 24.930 6.086 7.947 1.00 0.00 H new ATOM 0 HG CYS A 126 26.678 6.946 5.119 1.00 0.00 H new ATOM 2059 N LYS A 127 24.177 8.157 4.697 1.00 0.00 N ATOM 2060 CA LYS A 127 23.350 7.887 3.484 1.00 0.00 C ATOM 2061 C LYS A 127 24.108 6.895 2.545 1.00 0.00 C ATOM 2062 O LYS A 127 25.127 7.246 1.941 1.00 0.00 O ATOM 2063 CB LYS A 127 22.983 9.206 2.749 1.00 0.00 C ATOM 2064 CG LYS A 127 22.157 10.234 3.561 1.00 0.00 C ATOM 2065 CD LYS A 127 21.611 11.423 2.737 1.00 0.00 C ATOM 2066 CE LYS A 127 20.313 11.176 1.938 1.00 0.00 C ATOM 2067 NZ LYS A 127 20.541 10.458 0.667 1.00 0.00 N ATOM 0 H LYS A 127 25.076 8.593 4.493 1.00 0.00 H new ATOM 0 HA LYS A 127 22.411 7.426 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 127 23.906 9.687 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.424 8.952 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.318 9.718 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.779 10.624 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 127 21.438 12.257 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.386 11.737 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 127 19.619 10.603 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 127 19.836 12.133 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.775 10.681 -0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 21.451 10.753 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.557 9.433 0.845 1.00 0.00 H new ATOM 2080 N GLN A 128 23.609 5.654 2.418 1.00 0.00 N ATOM 2081 CA GLN A 128 24.164 4.650 1.467 1.00 0.00 C ATOM 2082 C GLN A 128 23.249 4.511 0.211 1.00 0.00 C ATOM 2083 O GLN A 128 22.034 4.308 0.328 1.00 0.00 O ATOM 2084 CB GLN A 128 24.338 3.287 2.188 1.00 0.00 C ATOM 2085 CG GLN A 128 25.574 3.207 3.126 1.00 0.00 C ATOM 2086 CD GLN A 128 25.983 1.861 3.743 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.133 1.676 4.121 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.120 0.886 3.896 1.00 0.00 N ATOM 0 H GLN A 128 22.817 5.311 2.962 1.00 0.00 H new ATOM 0 HA GLN A 128 25.141 4.989 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.441 3.082 2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.416 2.501 1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.431 3.581 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.403 3.902 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.154 1.008 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 128 25.415 0.006 4.319 1.00 0.00 H new ATOM 2097 N VAL A 129 23.849 4.588 -0.992 1.00 0.00 N ATOM 2098 CA VAL A 129 23.109 4.407 -2.278 1.00 0.00 C ATOM 2099 C VAL A 129 23.638 3.103 -2.951 1.00 0.00 C ATOM 2100 O VAL A 129 24.845 2.902 -3.121 1.00 0.00 O ATOM 2101 CB VAL A 129 23.206 5.649 -3.229 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.355 5.482 -4.513 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.746 6.968 -2.571 1.00 0.00 C ATOM 0 H VAL A 129 24.845 4.774 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 129 22.044 4.315 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 129 24.268 5.703 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.458 6.370 -5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.699 4.608 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.308 5.350 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.841 7.784 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.705 6.876 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.367 7.176 -1.700 1.00 0.00 H new ATOM 2113 N PHE A 130 22.700 2.241 -3.349 1.00 0.00 N ATOM 2114 CA PHE A 130 22.972 0.949 -4.029 1.00 0.00 C ATOM 2115 C PHE A 130 22.215 0.893 -5.400 1.00 0.00 C ATOM 2116 O PHE A 130 21.141 1.479 -5.544 1.00 0.00 O ATOM 2117 CB PHE A 130 22.494 -0.173 -3.062 1.00 0.00 C ATOM 2118 CG PHE A 130 23.463 -0.619 -1.957 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.675 0.157 -0.811 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.086 -1.864 -2.064 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.508 -0.310 0.205 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.917 -2.327 -1.050 1.00 0.00 C ATOM 2123 CZ PHE A 130 25.127 -1.551 0.084 1.00 0.00 C ATOM 0 H PHE A 130 21.705 2.415 -3.210 1.00 0.00 H new ATOM 0 HA PHE A 130 24.032 0.826 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.573 0.164 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.242 -1.048 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 130 23.193 1.118 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.921 -2.472 -2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.673 0.292 1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.399 -3.289 -1.143 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.771 -1.911 0.872 1.00 0.00 H new ATOM 2133 N LYS A 131 22.736 0.164 -6.403 1.00 0.00 N ATOM 2134 CA LYS A 131 22.071 0.002 -7.735 1.00 0.00 C ATOM 2135 C LYS A 131 21.818 -1.500 -8.068 1.00 0.00 C ATOM 2136 O LYS A 131 22.663 -2.363 -7.803 1.00 0.00 O ATOM 2137 CB LYS A 131 22.925 0.747 -8.797 1.00 0.00 C ATOM 2138 CG LYS A 131 22.236 1.018 -10.159 1.00 0.00 C ATOM 2139 CD LYS A 131 22.461 -0.084 -11.212 1.00 0.00 C ATOM 2140 CE LYS A 131 21.497 0.030 -12.401 1.00 0.00 C ATOM 2141 NZ LYS A 131 21.647 -1.142 -13.282 1.00 0.00 N ATOM 0 H LYS A 131 23.624 -0.332 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 131 21.078 0.451 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.240 1.702 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.829 0.166 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.165 1.134 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 131 22.602 1.965 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.487 -0.031 -11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.339 -1.060 -10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 131 20.470 0.097 -12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.700 0.944 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 20.968 -1.075 -14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 22.615 -1.169 -13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 21.465 -2.010 -12.739 1.00 0.00 H new ATOM 2154 N LYS A 132 20.658 -1.819 -8.679 1.00 0.00 N ATOM 2155 CA LYS A 132 20.279 -3.223 -8.996 1.00 0.00 C ATOM 2156 C LYS A 132 21.126 -3.853 -10.152 1.00 0.00 C ATOM 2157 O LYS A 132 21.075 -3.398 -11.301 1.00 0.00 O ATOM 2158 CB LYS A 132 18.757 -3.273 -9.314 1.00 0.00 C ATOM 2159 CG LYS A 132 18.117 -4.647 -9.018 1.00 0.00 C ATOM 2160 CD LYS A 132 16.605 -4.677 -9.302 1.00 0.00 C ATOM 2161 CE LYS A 132 16.008 -6.061 -9.012 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.562 -6.077 -9.292 1.00 0.00 N ATOM 0 H LYS A 132 19.964 -1.128 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 132 20.498 -3.834 -8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.245 -2.508 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.604 -3.027 -10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.610 -5.409 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.291 -4.906 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.103 -3.927 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.424 -4.412 -10.344 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.509 -6.813 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 132 16.184 -6.327 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.180 -7.023 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 14.084 -5.374 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.400 -5.846 -10.293 1.00 0.00 H new ATOM 2175 N VAL A 133 21.876 -4.924 -9.847 1.00 0.00 N ATOM 2176 CA VAL A 133 22.528 -5.783 -10.896 1.00 0.00 C ATOM 2177 C VAL A 133 21.557 -6.863 -11.511 1.00 0.00 C ATOM 2178 O VAL A 133 21.659 -7.178 -12.698 1.00 0.00 O ATOM 2179 CB VAL A 133 23.909 -6.381 -10.439 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.876 -5.334 -9.842 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.844 -7.566 -9.457 1.00 0.00 C ATOM 0 H VAL A 133 22.056 -5.230 -8.891 1.00 0.00 H new ATOM 0 HA VAL A 133 22.763 -5.105 -11.717 1.00 0.00 H new ATOM 0 HB VAL A 133 24.291 -6.755 -11.389 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.806 -5.822 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 133 25.087 -4.567 -10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 133 24.418 -4.873 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.855 -7.893 -9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.334 -7.255 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.297 -8.389 -9.916 1.00 0.00 H new ATOM 2191 N HIS A 134 20.627 -7.422 -10.705 1.00 0.00 N ATOM 2192 CA HIS A 134 19.581 -8.378 -11.146 1.00 0.00 C ATOM 2193 C HIS A 134 18.558 -7.756 -12.138 1.00 0.00 C ATOM 2194 O HIS A 134 18.325 -8.365 -13.205 1.00 0.00 O ATOM 2195 CB HIS A 134 18.933 -8.882 -9.825 1.00 0.00 C ATOM 2196 CG HIS A 134 17.836 -9.939 -9.938 1.00 0.00 C ATOM 2197 ND1 HIS A 134 16.504 -9.701 -9.658 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.024 -11.299 -10.236 1.00 0.00 C ATOM 2199 CE1 HIS A 134 15.994 -10.960 -9.830 1.00 0.00 C ATOM 2200 NE2 HIS A 134 16.824 -11.995 -10.175 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.987 -6.677 -11.856 1.00 0.00 O ATOM 0 H HIS A 134 20.580 -7.218 -9.707 1.00 0.00 H new ATOM 0 HA HIS A 134 20.003 -9.199 -11.726 1.00 0.00 H new ATOM 0 HB2 HIS A 134 19.725 -9.285 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 134 18.517 -8.020 -9.304 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.977 -11.745 -10.480 1.00 0.00 H new ATOM 0 HE1 HIS A 134 14.937 -11.138 -9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 134 16.621 -12.981 -10.338 1.00 0.00 H new TER 2209 HIS A 134