USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1214 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 Single : A 1 MET CE :methyl -151:sc= -0.156 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.131 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc=-0.00614 (180deg=-0.561) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.32 (180deg=1.25) USER MOD Single : A 9 SER OG : rot 6:sc= 1.03 USER MOD Single : A 10 GLN : amide:sc= -2.76 K(o=-2.8,f=-7.5!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -9.53! C(o=-9.5!,f=-8.7!) USER MOD Single : A 31 GLN : amide:sc= -8.46! C(o=-8.5!,f=-18!) USER MOD Single : A 33 CYS SG : rot 130:sc= -5.77! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -5.93! C(o=-5.9!,f=-8.2!) USER MOD Single : A 41 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.0142 (180deg=-0.141) USER MOD Single : A 48 THR OG1 : rot -154:sc= -1.6! USER MOD Single : A 53 GLN : amide:sc= -2.58! C(o=-2.6!,f=-3!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0054 USER MOD Single : A 61 TYR OH : rot 24:sc= 0.896 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 64 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-4.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -146:sc= 0.815 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -4.16! K(o=-4.2!,f=-1.2) USER MOD Single : A 75 SER OG : rot 24:sc= 0.847 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -153:sc= -0.165 (180deg=-1.11) USER MOD Single : B 1 MET N :NH3+ -123:sc= 0.111 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -165:sc=-0.00376 (180deg=-0.526) USER MOD Single : B 7 LYS NZ :NH3+ -176:sc= 1.33 (180deg=1.3) USER MOD Single : B 9 SER OG : rot 6:sc= 0.807 USER MOD Single : B 10 GLN : amide:sc= -2.83 K(o=-2.8,f=-7.4!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -9.23! C(o=-9.2!,f=-8.6!) USER MOD Single : B 31 GLN : amide:sc= -9.15! C(o=-9.1!,f=-18!) USER MOD Single : B 33 CYS SG : rot 130:sc= -5.71! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -6.05! C(o=-6.1!,f=-8.2!) USER MOD Single : B 41 HIS : no HD1:sc= -0.0849 K(o=-0.085,f=-1.1) USER MOD Single : B 46 LYS NZ :NH3+ -162:sc=-0.00677 (180deg=-0.104) USER MOD Single : B 48 THR OG1 : rot -160:sc= -1.55! USER MOD Single : B 53 GLN : amide:sc= -2.43! C(o=-2.4!,f=-2.9!) USER MOD Single : B 56 TYR OH : rot 180:sc= -0.0247 USER MOD Single : B 61 TYR OH : rot 25:sc= 0.772 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.74 USER MOD Single : B 64 HIS : no HD1:sc= -0.594 K(o=-0.59,f=-4.2!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -132:sc= 0.784 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -4.01! K(o=-4!,f=-1.2) USER MOD Single : B 75 SER OG : rot 17:sc= 0.799 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.793 19.126 4.541 1.00 42.32 N ATOM 2 CA MET A 1 -1.870 18.073 4.030 1.00 40.89 C ATOM 3 C MET A 1 -1.832 16.908 5.017 1.00 34.75 C ATOM 4 O MET A 1 -2.493 16.924 6.037 1.00 33.97 O ATOM 5 CB MET A 1 -0.459 18.659 3.879 1.00 48.45 C ATOM 6 CG MET A 1 0.183 18.847 5.260 1.00 56.13 C ATOM 7 SD MET A 1 0.502 20.607 5.539 1.00 64.91 S ATOM 8 CE MET A 1 1.844 20.789 4.340 1.00 63.43 C ATOM 0 H1 MET A 1 -3.511 19.338 3.819 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.260 18.788 5.406 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.252 19.988 4.754 1.00 42.32 H new ATOM 0 HA MET A 1 -2.223 17.719 3.061 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.156 17.996 3.271 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.508 19.615 3.358 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.476 18.458 6.036 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.114 18.283 5.321 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.520 21.579 4.668 1.00 63.43 H new ATOM 0 HE2 MET A 1 2.393 19.850 4.263 1.00 63.43 H new ATOM 0 HE3 MET A 1 1.429 21.048 3.366 1.00 63.43 H new ATOM 20 N ILE A 2 -1.048 15.906 4.735 1.00 28.59 N ATOM 21 CA ILE A 2 -0.956 14.756 5.674 1.00 24.58 C ATOM 22 C ILE A 2 -0.174 15.219 6.901 1.00 19.29 C ATOM 23 O ILE A 2 1.009 14.980 7.033 1.00 19.53 O ATOM 24 CB ILE A 2 -0.242 13.592 4.991 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.780 13.421 3.570 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.501 12.307 5.774 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.359 12.993 2.655 1.00 33.80 C ATOM 0 H ILE A 2 -0.469 15.834 3.898 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.948 14.417 5.971 1.00 24.58 H new ATOM 0 HB ILE A 2 0.828 13.799 4.958 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.574 12.675 3.556 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.215 14.356 3.217 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.008 11.475 5.287 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.124 12.418 6.791 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.572 12.109 5.804 1.00 23.06 H new ATOM 0 HD11 ILE A 2 -0.017 12.869 1.639 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.138 13.755 2.663 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.773 12.048 3.007 1.00 33.80 H new ATOM 39 N LYS A 3 -0.833 15.922 7.777 1.00 18.14 N ATOM 40 CA LYS A 3 -0.153 16.463 8.986 1.00 16.66 C ATOM 41 C LYS A 3 0.235 15.350 9.956 1.00 14.94 C ATOM 42 O LYS A 3 -0.341 14.281 9.974 1.00 13.94 O ATOM 43 CB LYS A 3 -1.093 17.440 9.694 1.00 16.94 C ATOM 44 CG LYS A 3 -0.815 18.862 9.205 1.00 17.85 C ATOM 45 CD LYS A 3 -0.802 19.818 10.399 1.00 19.63 C ATOM 46 CE LYS A 3 -0.956 21.257 9.906 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.406 22.192 10.926 1.00 32.72 N ATOM 0 H LYS A 3 -1.825 16.148 7.706 1.00 18.14 H new ATOM 0 HA LYS A 3 0.758 16.969 8.667 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.131 17.172 9.494 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.950 17.381 10.773 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.143 18.899 8.686 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.578 19.168 8.489 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -1.611 19.570 11.085 1.00 19.63 H new ATOM 0 HD3 LYS A 3 0.130 19.711 10.953 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.433 21.386 8.959 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -2.007 21.479 9.722 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.744 23.156 10.731 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -0.722 21.899 11.872 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 0.633 22.175 10.888 1.00 32.72 H new ATOM 61 N VAL A 4 1.216 15.622 10.772 1.00 12.42 N ATOM 62 CA VAL A 4 1.680 14.627 11.771 1.00 12.99 C ATOM 63 C VAL A 4 2.575 15.350 12.787 1.00 14.26 C ATOM 64 O VAL A 4 2.966 16.482 12.590 1.00 13.80 O ATOM 65 CB VAL A 4 2.449 13.490 11.059 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.040 13.995 9.743 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.576 12.953 11.953 1.00 10.41 C ATOM 0 H VAL A 4 1.722 16.508 10.786 1.00 12.42 H new ATOM 0 HA VAL A 4 0.833 14.179 12.291 1.00 12.99 H new ATOM 0 HB VAL A 4 1.746 12.683 10.854 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.579 13.185 9.252 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.237 14.343 9.093 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.726 14.818 9.944 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.104 12.154 11.432 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.273 13.759 12.183 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.152 12.565 12.879 1.00 10.41 H new ATOM 77 N GLU A 5 2.888 14.707 13.875 1.00 9.27 N ATOM 78 CA GLU A 5 3.744 15.354 14.911 1.00 10.51 C ATOM 79 C GLU A 5 4.668 14.316 15.528 1.00 10.00 C ATOM 80 O GLU A 5 4.239 13.417 16.221 1.00 10.96 O ATOM 81 CB GLU A 5 2.854 15.951 16.000 1.00 10.42 C ATOM 82 CG GLU A 5 2.288 17.280 15.508 1.00 18.68 C ATOM 83 CD GLU A 5 1.182 17.749 16.455 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.503 18.411 17.429 1.00 19.38 O ATOM 85 OE2 GLU A 5 0.032 17.439 16.192 1.00 22.12 O ATOM 0 H GLU A 5 2.588 13.757 14.094 1.00 9.27 H new ATOM 0 HA GLU A 5 4.340 16.142 14.451 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.044 15.264 16.242 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.428 16.102 16.914 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.079 18.028 15.458 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.893 17.167 14.499 1.00 18.68 H new ATOM 92 N ILE A 6 5.937 14.436 15.292 1.00 9.86 N ATOM 93 CA ILE A 6 6.879 13.449 15.889 1.00 10.60 C ATOM 94 C ILE A 6 6.974 13.731 17.397 1.00 10.16 C ATOM 95 O ILE A 6 7.630 14.659 17.828 1.00 11.64 O ATOM 96 CB ILE A 6 8.259 13.545 15.193 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.348 12.455 14.120 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.394 13.336 16.195 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.158 13.071 12.734 1.00 13.81 C ATOM 0 H ILE A 6 6.364 15.164 14.719 1.00 9.86 H new ATOM 0 HA ILE A 6 6.520 12.430 15.742 1.00 10.60 H new ATOM 0 HB ILE A 6 8.358 14.537 14.752 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.315 11.956 14.176 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.587 11.695 14.297 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.352 13.408 15.680 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.340 14.100 16.970 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.300 12.350 16.650 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.223 12.290 11.977 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.180 13.549 12.679 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.936 13.814 12.556 1.00 13.81 H new ATOM 111 N LYS A 7 6.311 12.934 18.199 1.00 11.63 N ATOM 112 CA LYS A 7 6.342 13.143 19.672 1.00 11.59 C ATOM 113 C LYS A 7 7.776 13.443 20.113 1.00 12.98 C ATOM 114 O LYS A 7 8.712 13.163 19.391 1.00 9.79 O ATOM 115 CB LYS A 7 5.847 11.862 20.354 1.00 12.52 C ATOM 116 CG LYS A 7 4.420 11.559 19.908 1.00 14.26 C ATOM 117 CD LYS A 7 3.482 12.668 20.387 1.00 15.70 C ATOM 118 CE LYS A 7 3.402 13.766 19.325 1.00 19.19 C ATOM 119 NZ LYS A 7 1.973 14.065 19.028 1.00 25.43 N ATOM 0 H LYS A 7 5.747 12.143 17.889 1.00 11.63 H new ATOM 0 HA LYS A 7 5.703 13.982 19.948 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.502 11.028 20.101 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.883 11.978 21.437 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.378 11.478 18.822 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.099 10.599 20.312 1.00 14.26 H new ATOM 0 HD2 LYS A 7 2.489 12.261 20.579 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.844 13.083 21.328 1.00 15.70 H new ATOM 0 HE2 LYS A 7 3.907 14.665 19.677 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.914 13.447 18.417 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 1.917 14.823 18.318 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 1.509 13.211 18.659 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 1.494 14.370 19.899 1.00 25.43 H new ATOM 133 N PRO A 8 7.910 13.992 21.294 1.00 13.56 N ATOM 134 CA PRO A 8 9.229 14.320 21.855 1.00 11.93 C ATOM 135 C PRO A 8 9.932 13.029 22.265 1.00 10.20 C ATOM 136 O PRO A 8 11.122 13.002 22.511 1.00 12.05 O ATOM 137 CB PRO A 8 8.907 15.215 23.055 1.00 12.78 C ATOM 138 CG PRO A 8 7.440 14.914 23.438 1.00 12.51 C ATOM 139 CD PRO A 8 6.774 14.323 22.180 1.00 13.61 C ATOM 0 HA PRO A 8 9.900 14.823 21.159 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.578 15.005 23.888 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.035 16.267 22.801 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.392 14.211 24.269 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.928 15.822 23.758 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.184 13.438 22.419 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.099 15.040 21.712 1.00 13.61 H new ATOM 147 N SER A 9 9.201 11.950 22.303 1.00 10.65 N ATOM 148 CA SER A 9 9.813 10.643 22.652 1.00 10.83 C ATOM 149 C SER A 9 10.086 9.879 21.352 1.00 10.94 C ATOM 150 O SER A 9 10.467 8.725 21.363 1.00 13.16 O ATOM 151 CB SER A 9 8.849 9.840 23.527 1.00 13.01 C ATOM 152 OG SER A 9 9.230 8.471 23.513 1.00 15.52 O ATOM 0 H SER A 9 8.201 11.920 22.106 1.00 10.65 H new ATOM 0 HA SER A 9 10.742 10.797 23.201 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.862 10.222 24.548 1.00 13.01 H new ATOM 0 HB3 SER A 9 7.829 9.949 23.159 1.00 13.01 H new ATOM 0 HG SER A 9 10.074 8.371 23.025 1.00 15.52 H new ATOM 158 N GLN A 10 9.890 10.524 20.228 1.00 10.02 N ATOM 159 CA GLN A 10 10.130 9.856 18.923 1.00 11.55 C ATOM 160 C GLN A 10 11.023 10.753 18.066 1.00 13.72 C ATOM 161 O GLN A 10 10.798 10.916 16.885 1.00 17.31 O ATOM 162 CB GLN A 10 8.801 9.644 18.199 1.00 6.60 C ATOM 163 CG GLN A 10 7.726 9.231 19.203 1.00 7.20 C ATOM 164 CD GLN A 10 7.801 7.723 19.447 1.00 10.36 C ATOM 165 OE1 GLN A 10 6.904 6.991 19.079 1.00 13.01 O ATOM 166 NE2 GLN A 10 8.841 7.224 20.057 1.00 4.80 N ATOM 0 H GLN A 10 9.572 11.491 20.164 1.00 10.02 H new ATOM 0 HA GLN A 10 10.610 8.892 19.090 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.503 10.561 17.690 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.912 8.876 17.434 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.865 9.768 20.141 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.739 9.499 18.825 1.00 7.20 H new ATOM 0 HE21 GLN A 10 9.594 7.838 20.366 1.00 4.80 H new ATOM 0 HE22 GLN A 10 8.901 6.220 20.225 1.00 4.80 H new ATOM 175 N ALA A 11 12.021 11.356 18.652 1.00 15.28 N ATOM 176 CA ALA A 11 12.908 12.258 17.860 1.00 18.95 C ATOM 177 C ALA A 11 14.216 11.546 17.515 1.00 20.75 C ATOM 178 O ALA A 11 15.109 12.121 16.926 1.00 24.78 O ATOM 179 CB ALA A 11 13.212 13.516 18.673 1.00 17.72 C ATOM 0 H ALA A 11 12.261 11.265 19.639 1.00 15.28 H new ATOM 0 HA ALA A 11 12.399 12.531 16.935 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.860 14.175 18.095 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.281 14.034 18.904 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.712 13.238 19.601 1.00 17.72 H new ATOM 185 N GLN A 12 14.338 10.301 17.871 1.00 22.50 N ATOM 186 CA GLN A 12 15.583 9.556 17.561 1.00 25.43 C ATOM 187 C GLN A 12 15.203 8.177 17.006 1.00 22.80 C ATOM 188 O GLN A 12 14.286 7.540 17.484 1.00 20.93 O ATOM 189 CB GLN A 12 16.412 9.417 18.849 1.00 30.18 C ATOM 190 CG GLN A 12 17.185 8.098 18.843 1.00 42.11 C ATOM 191 CD GLN A 12 18.489 8.258 19.627 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.543 7.963 20.805 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.550 8.714 19.020 1.00 47.90 N ATOM 0 H GLN A 12 13.625 9.766 18.366 1.00 22.50 H new ATOM 0 HA GLN A 12 16.178 10.085 16.817 1.00 25.43 H new ATOM 0 HB2 GLN A 12 17.106 10.253 18.935 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.756 9.458 19.718 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.578 7.308 19.286 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.401 7.797 17.818 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.505 8.962 18.032 1.00 47.90 H new ATOM 0 HE22 GLN A 12 20.424 8.823 19.534 1.00 47.90 H new ATOM 202 N PHE A 13 15.899 7.708 16.005 1.00 21.61 N ATOM 203 CA PHE A 13 15.571 6.378 15.438 1.00 20.51 C ATOM 204 C PHE A 13 16.287 5.299 16.239 1.00 18.83 C ATOM 205 O PHE A 13 17.053 5.583 17.139 1.00 18.83 O ATOM 206 CB PHE A 13 16.051 6.323 13.996 1.00 19.56 C ATOM 207 CG PHE A 13 17.492 6.774 13.952 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.513 5.886 14.306 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.807 8.083 13.565 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.847 6.304 14.273 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.141 8.501 13.532 1.00 14.07 C ATOM 212 CZ PHE A 13 20.160 7.612 13.886 1.00 18.48 C ATOM 0 H PHE A 13 16.679 8.191 15.559 1.00 21.61 H new ATOM 0 HA PHE A 13 14.494 6.215 15.480 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.959 5.310 13.605 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.434 6.965 13.367 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.271 4.877 14.605 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.019 8.770 13.292 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.635 5.618 14.546 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.384 9.510 13.233 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.190 7.935 13.861 1.00 18.48 H new ATOM 222 N THR A 14 16.058 4.065 15.909 1.00 14.89 N ATOM 223 CA THR A 14 16.741 2.968 16.639 1.00 13.37 C ATOM 224 C THR A 14 17.287 1.962 15.631 1.00 11.97 C ATOM 225 O THR A 14 16.722 1.753 14.576 1.00 10.76 O ATOM 226 CB THR A 14 15.753 2.266 17.570 1.00 13.68 C ATOM 227 OG1 THR A 14 15.383 3.148 18.620 1.00 13.48 O ATOM 228 CG2 THR A 14 16.405 1.015 18.155 1.00 9.24 C ATOM 0 H THR A 14 15.427 3.767 15.165 1.00 14.89 H new ATOM 0 HA THR A 14 17.557 3.382 17.231 1.00 13.37 H new ATOM 0 HB THR A 14 14.864 1.980 17.009 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.748 2.699 19.216 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.701 0.514 18.819 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.685 0.339 17.347 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.295 1.298 18.717 1.00 9.24 H new ATOM 236 N THR A 15 18.380 1.335 15.948 1.00 13.20 N ATOM 237 CA THR A 15 18.963 0.340 15.012 1.00 12.54 C ATOM 238 C THR A 15 18.405 -1.043 15.342 1.00 14.34 C ATOM 239 O THR A 15 18.706 -1.613 16.372 1.00 17.35 O ATOM 240 CB THR A 15 20.484 0.327 15.163 1.00 11.88 C ATOM 241 OG1 THR A 15 20.924 1.594 15.631 1.00 17.15 O ATOM 242 CG2 THR A 15 21.127 0.029 13.810 1.00 8.30 C ATOM 0 H THR A 15 18.897 1.469 16.817 1.00 13.20 H new ATOM 0 HA THR A 15 18.706 0.605 13.986 1.00 12.54 H new ATOM 0 HB THR A 15 20.773 -0.443 15.878 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.899 1.586 15.730 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.212 0.020 13.917 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.789 -0.944 13.453 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.840 0.798 13.093 1.00 8.30 H new ATOM 435 N LEU A 28 18.651 -1.191 9.502 1.00 18.57 N ATOM 436 CA LEU A 28 18.491 0.270 9.251 1.00 16.31 C ATOM 437 C LEU A 28 17.945 0.965 10.500 1.00 14.21 C ATOM 438 O LEU A 28 17.501 0.331 11.436 1.00 16.97 O ATOM 439 CB LEU A 28 17.522 0.474 8.085 1.00 16.48 C ATOM 440 CG LEU A 28 18.113 1.482 7.099 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.466 0.770 5.792 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.086 2.583 6.821 1.00 22.01 C ATOM 0 HA LEU A 28 19.462 0.701 9.006 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.336 -0.475 7.583 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.561 0.832 8.455 1.00 16.48 H new ATOM 0 HG LEU A 28 19.014 1.924 7.525 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.887 1.488 5.089 1.00 24.00 H new ATOM 0 HD12 LEU A 28 19.196 -0.014 5.991 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.566 0.328 5.364 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.505 3.303 6.118 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.186 2.141 6.394 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.835 3.090 7.753 1.00 22.01 H new ATOM 454 N ASN A 29 17.973 2.271 10.513 1.00 11.64 N ATOM 455 CA ASN A 29 17.452 3.024 11.694 1.00 9.77 C ATOM 456 C ASN A 29 15.998 3.421 11.428 1.00 7.94 C ATOM 457 O ASN A 29 15.683 4.009 10.415 1.00 10.52 O ATOM 458 CB ASN A 29 18.290 4.290 11.955 1.00 14.73 C ATOM 459 CG ASN A 29 19.232 4.581 10.780 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.906 3.696 10.291 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.312 5.795 10.312 1.00 12.89 N ATOM 0 H ASN A 29 18.335 2.851 9.756 1.00 11.64 H new ATOM 0 HA ASN A 29 17.516 2.384 12.574 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.628 5.141 12.114 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.871 4.163 12.868 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.940 6.002 9.536 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.746 6.538 10.722 1.00 12.89 H new ATOM 468 N GLU A 30 15.107 3.096 12.327 1.00 8.58 N ATOM 469 CA GLU A 30 13.670 3.450 12.119 1.00 13.16 C ATOM 470 C GLU A 30 13.238 4.480 13.166 1.00 12.26 C ATOM 471 O GLU A 30 13.860 4.629 14.199 1.00 10.58 O ATOM 472 CB GLU A 30 12.813 2.192 12.272 1.00 14.93 C ATOM 473 CG GLU A 30 12.847 1.387 10.972 1.00 27.13 C ATOM 474 CD GLU A 30 13.391 -0.014 11.254 1.00 33.28 C ATOM 475 OE1 GLU A 30 12.638 -0.830 11.760 1.00 40.03 O ATOM 476 OE2 GLU A 30 14.551 -0.248 10.958 1.00 38.01 O ATOM 0 H GLU A 30 15.311 2.601 13.196 1.00 8.58 H new ATOM 0 HA GLU A 30 13.541 3.868 11.121 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.185 1.585 13.097 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.786 2.466 12.515 1.00 14.93 H new ATOM 0 HG2 GLU A 30 11.846 1.321 10.546 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.474 1.891 10.236 1.00 27.13 H new ATOM 483 N GLN A 31 12.170 5.185 12.911 1.00 10.34 N ATOM 484 CA GLN A 31 11.690 6.196 13.896 1.00 9.46 C ATOM 485 C GLN A 31 10.168 6.102 14.009 1.00 10.09 C ATOM 486 O GLN A 31 9.556 5.177 13.512 1.00 9.36 O ATOM 487 CB GLN A 31 12.084 7.604 13.432 1.00 7.25 C ATOM 488 CG GLN A 31 12.571 8.425 14.628 1.00 10.62 C ATOM 489 CD GLN A 31 11.613 9.594 14.862 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.435 9.393 15.083 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.070 10.816 14.822 1.00 12.39 N ATOM 0 H GLN A 31 11.609 5.105 12.063 1.00 10.34 H new ATOM 0 HA GLN A 31 12.145 6.001 14.867 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.868 7.542 12.678 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.230 8.095 12.965 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.622 7.798 15.518 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.579 8.797 14.442 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.059 10.985 14.637 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.438 11.602 14.976 1.00 12.39 H new ATOM 500 N LEU A 32 9.553 7.046 14.662 1.00 6.80 N ATOM 501 CA LEU A 32 8.071 7.003 14.809 1.00 10.34 C ATOM 502 C LEU A 32 7.485 8.385 14.501 1.00 9.02 C ATOM 503 O LEU A 32 8.208 9.331 14.257 1.00 11.15 O ATOM 504 CB LEU A 32 7.727 6.590 16.241 1.00 10.20 C ATOM 505 CG LEU A 32 8.103 5.122 16.449 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.037 5.000 17.656 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.836 4.298 16.698 1.00 15.89 C ATOM 0 H LEU A 32 10.011 7.845 15.100 1.00 6.80 H new ATOM 0 HA LEU A 32 7.647 6.280 14.112 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.263 7.219 16.952 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.663 6.735 16.428 1.00 10.20 H new ATOM 0 HG LEU A 32 8.609 4.748 15.559 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.305 3.954 17.804 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.940 5.584 17.478 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.532 5.375 18.546 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.105 3.252 16.846 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.328 4.671 17.587 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.172 4.383 15.838 1.00 15.89 H new ATOM 519 N CYS A 33 6.182 8.515 14.500 1.00 9.68 N ATOM 520 CA CYS A 33 5.565 9.834 14.198 1.00 8.10 C ATOM 521 C CYS A 33 4.072 9.753 14.506 1.00 6.34 C ATOM 522 O CYS A 33 3.509 8.682 14.604 1.00 8.02 O ATOM 523 CB CYS A 33 5.755 10.203 12.716 1.00 8.88 C ATOM 524 SG CYS A 33 6.389 8.793 11.765 1.00 13.84 S ATOM 0 H CYS A 33 5.522 7.762 14.696 1.00 9.68 H new ATOM 0 HA CYS A 33 6.045 10.599 14.808 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.804 10.531 12.295 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.446 11.042 12.633 1.00 8.88 H new ATOM 0 HG CYS A 33 5.657 8.621 10.704 1.00 13.84 H new ATOM 530 N TYR A 34 3.423 10.871 14.659 1.00 7.35 N ATOM 531 CA TYR A 34 1.965 10.850 14.963 1.00 7.08 C ATOM 532 C TYR A 34 1.207 11.459 13.785 1.00 7.71 C ATOM 533 O TYR A 34 1.155 12.662 13.631 1.00 7.80 O ATOM 534 CB TYR A 34 1.691 11.687 16.214 1.00 8.67 C ATOM 535 CG TYR A 34 1.834 10.850 17.468 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.780 9.826 17.543 1.00 13.61 C ATOM 537 CD2 TYR A 34 1.005 11.122 18.567 1.00 12.44 C ATOM 538 CE1 TYR A 34 2.896 9.072 18.716 1.00 17.22 C ATOM 539 CE2 TYR A 34 1.121 10.369 19.733 1.00 16.38 C ATOM 540 CZ TYR A 34 2.064 9.345 19.808 1.00 16.83 C ATOM 541 OH TYR A 34 2.179 8.599 20.963 1.00 21.14 O ATOM 0 H TYR A 34 3.838 11.800 14.587 1.00 7.35 H new ATOM 0 HA TYR A 34 1.640 9.823 15.132 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.384 12.528 16.252 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.685 12.105 16.164 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.420 9.617 16.699 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.276 11.917 18.509 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.627 8.280 18.779 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.481 10.578 20.578 1.00 16.38 H new ATOM 0 HH TYR A 34 1.530 8.918 21.624 1.00 21.14 H new ATOM 551 N VAL A 35 0.623 10.649 12.947 1.00 9.44 N ATOM 552 CA VAL A 35 -0.119 11.209 11.782 1.00 10.66 C ATOM 553 C VAL A 35 -1.624 11.051 11.995 1.00 10.57 C ATOM 554 O VAL A 35 -2.084 10.109 12.605 1.00 8.31 O ATOM 555 CB VAL A 35 0.289 10.473 10.505 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.262 11.224 9.290 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.816 10.410 10.418 1.00 9.86 C ATOM 0 H VAL A 35 0.626 9.631 13.016 1.00 9.44 H new ATOM 0 HA VAL A 35 0.124 12.267 11.687 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.114 9.461 10.522 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.027 10.702 8.378 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.349 11.270 9.353 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.143 12.236 9.273 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.107 9.885 9.508 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.221 11.422 10.399 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.208 9.878 11.285 1.00 9.86 H new ATOM 567 N ASP A 36 -2.394 11.966 11.482 1.00 8.58 N ATOM 568 CA ASP A 36 -3.860 11.878 11.630 1.00 11.48 C ATOM 569 C ASP A 36 -4.471 11.655 10.250 1.00 12.38 C ATOM 570 O ASP A 36 -5.400 10.892 10.088 1.00 11.89 O ATOM 571 CB ASP A 36 -4.391 13.183 12.225 1.00 16.17 C ATOM 572 CG ASP A 36 -3.739 14.370 11.515 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.647 14.747 11.911 1.00 15.67 O ATOM 574 OD2 ASP A 36 -4.341 14.884 10.586 1.00 25.89 O ATOM 0 H ASP A 36 -2.061 12.778 10.962 1.00 8.58 H new ATOM 0 HA ASP A 36 -4.124 11.053 12.292 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -5.474 13.231 12.116 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.177 13.222 13.293 1.00 16.17 H new ATOM 579 N LEU A 37 -3.943 12.323 9.256 1.00 13.17 N ATOM 580 CA LEU A 37 -4.470 12.173 7.871 1.00 18.47 C ATOM 581 C LEU A 37 -5.919 12.649 7.844 1.00 21.14 C ATOM 582 O LEU A 37 -6.240 13.691 7.307 1.00 24.24 O ATOM 583 CB LEU A 37 -4.408 10.704 7.442 1.00 15.81 C ATOM 584 CG LEU A 37 -3.240 10.009 8.143 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.779 9.097 9.248 1.00 14.72 C ATOM 586 CD2 LEU A 37 -2.464 9.171 7.123 1.00 20.01 C ATOM 0 H LEU A 37 -3.161 12.972 9.349 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.866 12.767 7.184 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -5.344 10.203 7.691 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.288 10.636 6.361 1.00 15.81 H new ATOM 0 HG LEU A 37 -2.578 10.757 8.580 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -2.947 8.601 9.748 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -4.335 9.692 9.972 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -4.439 8.347 8.811 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -1.630 8.674 7.619 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -3.126 8.422 6.688 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -2.082 9.819 6.334 1.00 20.01 H new ATOM 598 N GLY A 38 -6.786 11.893 8.441 1.00 20.70 N ATOM 599 CA GLY A 38 -8.214 12.270 8.492 1.00 23.91 C ATOM 600 C GLY A 38 -8.768 11.865 9.861 1.00 26.50 C ATOM 601 O GLY A 38 -9.940 11.585 10.014 1.00 31.02 O ATOM 0 H GLY A 38 -6.560 11.013 8.904 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -8.330 13.343 8.338 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.767 11.772 7.696 1.00 23.91 H new ATOM 605 N ASN A 39 -7.919 11.833 10.858 1.00 27.64 N ATOM 606 CA ASN A 39 -8.360 11.450 12.222 1.00 30.27 C ATOM 607 C ASN A 39 -7.843 12.492 13.216 1.00 26.79 C ATOM 608 O ASN A 39 -6.696 12.466 13.612 1.00 26.87 O ATOM 609 CB ASN A 39 -7.807 10.065 12.600 1.00 35.62 C ATOM 610 CG ASN A 39 -7.220 9.364 11.369 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.795 9.406 10.299 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.090 8.715 11.477 1.00 39.63 N ATOM 0 H ASN A 39 -6.928 12.060 10.777 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.449 11.407 12.248 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -7.039 10.171 13.366 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.602 9.455 13.028 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.692 8.245 10.664 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.606 8.679 12.374 1.00 39.63 H new ATOM 619 N GLU A 40 -8.684 13.414 13.596 1.00 25.15 N ATOM 620 CA GLU A 40 -8.281 14.494 14.552 1.00 23.81 C ATOM 621 C GLU A 40 -7.221 13.995 15.535 1.00 21.12 C ATOM 622 O GLU A 40 -6.311 14.713 15.900 1.00 19.86 O ATOM 623 CB GLU A 40 -9.511 14.967 15.330 1.00 27.22 C ATOM 624 CG GLU A 40 -10.525 15.574 14.358 1.00 34.87 C ATOM 625 CD GLU A 40 -10.754 17.045 14.708 1.00 38.97 C ATOM 626 OE1 GLU A 40 -9.878 17.630 15.324 1.00 39.54 O ATOM 627 OE2 GLU A 40 -11.800 17.562 14.354 1.00 42.34 O ATOM 0 H GLU A 40 -9.652 13.468 13.280 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.857 15.319 13.979 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.960 14.131 15.866 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -9.220 15.705 16.078 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.161 15.486 13.334 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.466 15.027 14.410 1.00 34.87 H new ATOM 634 N HIS A 41 -7.327 12.774 15.958 1.00 4.86 N ATOM 635 CA HIS A 41 -6.321 12.222 16.914 1.00 4.34 C ATOM 636 C HIS A 41 -5.076 11.794 16.134 1.00 3.26 C ATOM 637 O HIS A 41 -5.173 11.397 14.990 1.00 2.40 O ATOM 638 CB HIS A 41 -6.912 11.010 17.639 1.00 5.26 C ATOM 639 CG HIS A 41 -8.189 11.406 18.328 1.00 5.13 C ATOM 640 ND1 HIS A 41 -9.396 11.501 17.652 1.00 5.66 N ATOM 641 CD2 HIS A 41 -8.464 11.732 19.633 1.00 5.72 C ATOM 642 CE1 HIS A 41 -10.333 11.869 18.545 1.00 7.00 C ATOM 643 NE2 HIS A 41 -9.819 12.024 19.768 1.00 6.91 N ATOM 0 H HIS A 41 -8.067 12.127 15.686 1.00 4.86 H new ATOM 0 HA HIS A 41 -6.054 12.983 17.647 1.00 4.34 H new ATOM 0 HB2 HIS A 41 -7.105 10.207 16.928 1.00 5.26 H new ATOM 0 HB3 HIS A 41 -6.198 10.626 18.368 1.00 5.26 H new ATOM 0 HD2 HIS A 41 -7.739 11.758 20.433 1.00 5.72 H new ATOM 0 HE1 HIS A 41 -11.374 12.021 18.302 1.00 7.00 H new ATOM 0 HE2 HIS A 41 -10.313 12.297 20.618 1.00 6.91 H new ATOM 651 N PRO A 42 -3.937 11.886 16.771 1.00 15.11 N ATOM 652 CA PRO A 42 -2.659 11.514 16.146 1.00 16.08 C ATOM 653 C PRO A 42 -2.487 10.003 16.146 1.00 17.92 C ATOM 654 O PRO A 42 -2.954 9.315 17.033 1.00 17.13 O ATOM 655 CB PRO A 42 -1.609 12.144 17.053 1.00 16.41 C ATOM 656 CG PRO A 42 -2.288 12.342 18.427 1.00 13.79 C ATOM 657 CD PRO A 42 -3.811 12.359 18.165 1.00 16.28 C ATOM 0 HA PRO A 42 -2.591 11.846 15.110 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.734 11.500 17.141 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.265 13.096 16.648 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -2.021 11.537 19.111 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.963 13.274 18.889 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.343 11.707 18.858 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.226 13.359 18.287 1.00 16.28 H new ATOM 665 N VAL A 43 -1.803 9.479 15.177 1.00 16.29 N ATOM 666 CA VAL A 43 -1.588 8.020 15.149 1.00 14.28 C ATOM 667 C VAL A 43 -0.093 7.738 15.154 1.00 9.00 C ATOM 668 O VAL A 43 0.635 8.137 14.268 1.00 7.99 O ATOM 669 CB VAL A 43 -2.246 7.420 13.903 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.587 8.113 13.650 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.338 7.608 12.680 1.00 20.57 C ATOM 0 H VAL A 43 -1.385 9.999 14.405 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.041 7.562 16.029 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.406 6.354 14.067 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.056 7.686 12.763 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.240 7.968 14.511 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.422 9.179 13.496 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.818 7.177 11.801 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.166 8.672 12.515 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.385 7.109 12.854 1.00 20.57 H new ATOM 681 N LEU A 44 0.370 7.056 16.155 1.00 10.19 N ATOM 682 CA LEU A 44 1.812 6.751 16.228 1.00 11.55 C ATOM 683 C LEU A 44 2.153 5.689 15.187 1.00 10.61 C ATOM 684 O LEU A 44 1.732 4.553 15.275 1.00 13.49 O ATOM 685 CB LEU A 44 2.145 6.245 17.623 1.00 10.60 C ATOM 686 CG LEU A 44 3.613 5.840 17.676 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.477 6.945 17.063 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.025 5.616 19.133 1.00 20.21 C ATOM 0 H LEU A 44 -0.192 6.697 16.927 1.00 10.19 H new ATOM 0 HA LEU A 44 2.396 7.649 16.025 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.943 7.021 18.361 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.512 5.394 17.874 1.00 10.60 H new ATOM 0 HG LEU A 44 3.755 4.919 17.110 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.526 6.651 17.103 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.184 7.103 16.025 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.338 7.869 17.624 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.075 5.326 19.174 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.881 6.537 19.698 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.413 4.825 19.567 1.00 20.21 H new ATOM 700 N VAL A 45 2.904 6.061 14.193 1.00 10.81 N ATOM 701 CA VAL A 45 3.272 5.091 13.127 1.00 9.29 C ATOM 702 C VAL A 45 4.786 4.917 13.097 1.00 9.95 C ATOM 703 O VAL A 45 5.523 5.680 13.690 1.00 9.36 O ATOM 704 CB VAL A 45 2.788 5.622 11.782 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.524 4.918 10.635 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.286 5.367 11.655 1.00 10.20 C ATOM 0 H VAL A 45 3.282 7.001 14.071 1.00 10.81 H new ATOM 0 HA VAL A 45 2.806 4.127 13.328 1.00 9.29 H new ATOM 0 HB VAL A 45 2.991 6.691 11.726 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.168 5.307 9.681 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.595 5.100 10.724 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.333 3.846 10.684 1.00 7.95 H new ATOM 0 HG21 VAL A 45 0.933 5.744 10.695 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.092 4.296 11.718 1.00 10.20 H new ATOM 0 HG23 VAL A 45 0.761 5.879 12.462 1.00 10.20 H new ATOM 716 N LYS A 46 5.257 3.920 12.406 1.00 10.76 N ATOM 717 CA LYS A 46 6.723 3.706 12.338 1.00 12.81 C ATOM 718 C LYS A 46 7.272 4.347 11.062 1.00 13.35 C ATOM 719 O LYS A 46 6.666 4.283 10.011 1.00 12.90 O ATOM 720 CB LYS A 46 7.030 2.207 12.339 1.00 17.04 C ATOM 721 CG LYS A 46 6.609 1.599 13.680 1.00 26.60 C ATOM 722 CD LYS A 46 7.809 1.575 14.630 1.00 33.77 C ATOM 723 CE LYS A 46 8.372 0.155 14.708 1.00 34.48 C ATOM 724 NZ LYS A 46 7.457 -0.701 15.515 1.00 36.74 N ATOM 0 H LYS A 46 4.692 3.247 11.888 1.00 10.76 H new ATOM 0 HA LYS A 46 7.196 4.165 13.206 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.500 1.716 11.523 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.095 2.043 12.172 1.00 17.04 H new ATOM 0 HG2 LYS A 46 5.798 2.182 14.117 1.00 26.60 H new ATOM 0 HG3 LYS A 46 6.230 0.588 13.530 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.578 2.263 14.279 1.00 33.77 H new ATOM 0 HD3 LYS A 46 7.508 1.913 15.622 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.484 -0.258 13.706 1.00 34.48 H new ATOM 0 HE3 LYS A 46 9.364 0.170 15.159 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 7.978 -1.529 15.868 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.090 -0.154 16.320 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.664 -1.018 14.921 1.00 36.74 H new ATOM 738 N ILE A 47 8.415 4.970 11.151 1.00 13.96 N ATOM 739 CA ILE A 47 9.009 5.622 9.954 1.00 16.93 C ATOM 740 C ILE A 47 10.394 5.018 9.692 1.00 16.52 C ATOM 741 O ILE A 47 10.908 4.259 10.489 1.00 17.67 O ATOM 742 CB ILE A 47 9.114 7.135 10.212 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.058 7.896 8.886 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.426 7.463 10.925 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.818 8.790 8.862 1.00 18.26 C ATOM 0 H ILE A 47 8.964 5.055 12.006 1.00 13.96 H new ATOM 0 HA ILE A 47 8.383 5.457 9.077 1.00 16.93 H new ATOM 0 HB ILE A 47 8.278 7.436 10.843 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.957 8.500 8.763 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.029 7.194 8.053 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.486 8.537 11.101 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.463 6.937 11.879 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.266 7.149 10.305 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.778 9.332 7.917 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.924 8.175 8.965 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.866 9.501 9.687 1.00 18.26 H new ATOM 757 N THR A 48 11.002 5.345 8.585 1.00 16.86 N ATOM 758 CA THR A 48 12.349 4.782 8.287 1.00 16.59 C ATOM 759 C THR A 48 13.415 5.859 8.494 1.00 19.04 C ATOM 760 O THR A 48 13.153 7.038 8.379 1.00 22.56 O ATOM 761 CB THR A 48 12.390 4.294 6.838 1.00 16.30 C ATOM 762 OG1 THR A 48 11.087 3.887 6.440 1.00 17.90 O ATOM 763 CG2 THR A 48 13.355 3.114 6.723 1.00 16.02 C ATOM 0 H THR A 48 10.626 5.975 7.876 1.00 16.86 H new ATOM 0 HA THR A 48 12.547 3.946 8.958 1.00 16.59 H new ATOM 0 HB THR A 48 12.731 5.102 6.191 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.157 3.222 5.724 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.384 2.767 5.690 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.353 3.429 7.028 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.017 2.304 7.369 1.00 16.02 H new ATOM 771 N LEU A 49 14.618 5.452 8.797 1.00 18.35 N ATOM 772 CA LEU A 49 15.719 6.432 9.019 1.00 18.82 C ATOM 773 C LEU A 49 16.980 5.919 8.316 1.00 20.06 C ATOM 774 O LEU A 49 17.620 4.993 8.772 1.00 18.35 O ATOM 775 CB LEU A 49 15.988 6.556 10.527 1.00 18.79 C ATOM 776 CG LEU A 49 16.008 8.024 10.954 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.323 8.671 10.506 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.828 8.770 10.324 1.00 14.50 C ATOM 0 H LEU A 49 14.887 4.474 8.901 1.00 18.35 H new ATOM 0 HA LEU A 49 15.441 7.407 8.619 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.219 6.021 11.084 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.942 6.088 10.771 1.00 18.79 H new ATOM 0 HG LEU A 49 15.926 8.080 12.039 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.336 9.717 10.811 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.161 8.148 10.967 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.408 8.608 9.421 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.851 9.815 10.634 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.899 8.712 9.238 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.893 8.315 10.651 1.00 14.50 H new ATOM 790 N ASP A 50 17.336 6.504 7.205 1.00 22.62 N ATOM 791 CA ASP A 50 18.550 6.038 6.474 1.00 27.04 C ATOM 792 C ASP A 50 19.803 6.413 7.267 1.00 27.73 C ATOM 793 O ASP A 50 19.867 7.454 7.888 1.00 26.65 O ATOM 794 CB ASP A 50 18.603 6.700 5.095 1.00 29.11 C ATOM 795 CG ASP A 50 18.305 8.194 5.234 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.168 8.527 5.524 1.00 30.76 O ATOM 797 OD2 ASP A 50 19.220 8.979 5.047 1.00 33.99 O ATOM 0 H ASP A 50 16.840 7.283 6.772 1.00 22.62 H new ATOM 0 HA ASP A 50 18.506 4.955 6.356 1.00 27.04 H new ATOM 0 HB2 ASP A 50 19.586 6.555 4.648 1.00 29.11 H new ATOM 0 HB3 ASP A 50 17.877 6.234 4.428 1.00 29.11 H new ATOM 802 N GLU A 51 20.801 5.572 7.248 1.00 31.16 N ATOM 803 CA GLU A 51 22.050 5.883 8.000 1.00 34.22 C ATOM 804 C GLU A 51 22.556 7.266 7.588 1.00 34.98 C ATOM 805 O GLU A 51 22.631 7.587 6.419 1.00 34.19 O ATOM 806 CB GLU A 51 23.116 4.833 7.679 1.00 38.24 C ATOM 807 CG GLU A 51 23.546 4.128 8.969 1.00 46.84 C ATOM 808 CD GLU A 51 24.958 3.566 8.797 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.535 3.779 7.743 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.439 2.932 9.721 1.00 53.83 O ATOM 0 H GLU A 51 20.806 4.685 6.745 1.00 31.16 H new ATOM 0 HA GLU A 51 21.844 5.873 9.070 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.723 4.106 6.969 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.977 5.306 7.207 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.521 4.828 9.804 1.00 46.84 H new ATOM 0 HG3 GLU A 51 22.849 3.324 9.206 1.00 46.84 H new ATOM 817 N GLY A 52 22.902 8.088 8.539 1.00 34.53 N ATOM 818 CA GLY A 52 23.400 9.450 8.199 1.00 34.93 C ATOM 819 C GLY A 52 22.279 10.469 8.408 1.00 36.10 C ATOM 820 O GLY A 52 22.514 11.587 8.822 1.00 35.97 O ATOM 0 H GLY A 52 22.862 7.876 9.536 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.257 9.702 8.824 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.742 9.476 7.164 1.00 34.93 H new ATOM 824 N GLN A 53 21.061 10.093 8.126 1.00 36.52 N ATOM 825 CA GLN A 53 19.929 11.043 8.311 1.00 35.40 C ATOM 826 C GLN A 53 19.539 11.086 9.794 1.00 31.02 C ATOM 827 O GLN A 53 19.492 10.062 10.447 1.00 29.05 O ATOM 828 CB GLN A 53 18.731 10.574 7.483 1.00 41.20 C ATOM 829 CG GLN A 53 18.648 11.396 6.195 1.00 47.61 C ATOM 830 CD GLN A 53 17.280 11.188 5.542 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.264 11.219 6.209 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.210 10.976 4.257 1.00 54.76 N ATOM 0 H GLN A 53 20.802 9.171 7.776 1.00 36.52 H new ATOM 0 HA GLN A 53 20.230 12.038 7.984 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.832 9.515 7.245 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.812 10.686 8.058 1.00 41.20 H new ATOM 0 HG2 GLN A 53 18.800 12.453 6.415 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.440 11.096 5.508 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.062 10.950 3.697 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.303 10.836 3.812 1.00 54.76 H new ATOM 841 N PRO A 54 19.269 12.271 10.283 1.00 27.43 N ATOM 842 CA PRO A 54 18.877 12.477 11.687 1.00 23.44 C ATOM 843 C PRO A 54 17.407 12.104 11.891 1.00 20.14 C ATOM 844 O PRO A 54 16.535 12.590 11.199 1.00 21.64 O ATOM 845 CB PRO A 54 19.095 13.972 11.910 1.00 24.39 C ATOM 846 CG PRO A 54 19.051 14.628 10.513 1.00 27.18 C ATOM 847 CD PRO A 54 19.328 13.513 9.488 1.00 28.37 C ATOM 0 HA PRO A 54 19.447 11.862 12.384 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.322 14.385 12.558 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.052 14.157 12.397 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.079 15.087 10.332 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.796 15.419 10.434 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.585 13.511 8.690 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.302 13.638 9.016 1.00 28.37 H new ATOM 855 N ALA A 55 17.127 11.242 12.831 1.00 17.21 N ATOM 856 CA ALA A 55 15.719 10.835 13.077 1.00 15.58 C ATOM 857 C ALA A 55 14.793 12.050 12.993 1.00 16.41 C ATOM 858 O ALA A 55 15.175 13.161 13.302 1.00 13.65 O ATOM 859 CB ALA A 55 15.614 10.217 14.467 1.00 13.98 C ATOM 0 H ALA A 55 17.817 10.802 13.440 1.00 17.21 H new ATOM 0 HA ALA A 55 15.420 10.110 12.320 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.583 9.916 14.654 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.264 9.344 14.527 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.920 10.949 15.215 1.00 13.98 H new ATOM 865 N TYR A 56 13.573 11.839 12.582 1.00 15.93 N ATOM 866 CA TYR A 56 12.606 12.968 12.479 1.00 14.61 C ATOM 867 C TYR A 56 12.598 13.740 13.800 1.00 15.51 C ATOM 868 O TYR A 56 11.946 13.359 14.749 1.00 17.19 O ATOM 869 CB TYR A 56 11.203 12.414 12.189 1.00 12.92 C ATOM 870 CG TYR A 56 11.210 11.707 10.846 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.677 10.392 10.752 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.769 12.377 9.699 1.00 12.42 C ATOM 873 CE1 TYR A 56 11.701 9.745 9.513 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.791 11.728 8.459 1.00 11.47 C ATOM 875 CZ TYR A 56 11.257 10.412 8.367 1.00 10.29 C ATOM 876 OH TYR A 56 11.281 9.774 7.144 1.00 12.03 O ATOM 0 H TYR A 56 13.202 10.928 12.312 1.00 15.93 H new ATOM 0 HA TYR A 56 12.900 13.636 11.669 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.903 11.722 12.976 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.474 13.224 12.183 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.019 9.876 11.637 1.00 7.14 H new ATOM 0 HD2 TYR A 56 10.412 13.394 9.771 1.00 12.42 H new ATOM 0 HE1 TYR A 56 12.063 8.730 9.441 1.00 7.90 H new ATOM 0 HE2 TYR A 56 10.448 12.243 7.574 1.00 11.47 H new ATOM 0 HH TYR A 56 10.938 10.378 6.453 1.00 12.03 H new ATOM 886 N ALA A 57 13.327 14.821 13.871 1.00 13.38 N ATOM 887 CA ALA A 57 13.366 15.615 15.133 1.00 14.95 C ATOM 888 C ALA A 57 11.936 15.889 15.606 1.00 15.46 C ATOM 889 O ALA A 57 10.986 15.533 14.938 1.00 17.82 O ATOM 890 CB ALA A 57 14.082 16.942 14.874 1.00 14.98 C ATOM 0 H ALA A 57 13.897 15.189 13.110 1.00 13.38 H new ATOM 0 HA ALA A 57 13.901 15.056 15.901 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.112 17.525 15.795 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.099 16.746 14.535 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.545 17.501 14.108 1.00 14.98 H new ATOM 896 N PRO A 58 11.826 16.521 16.748 1.00 15.20 N ATOM 897 CA PRO A 58 10.521 16.864 17.338 1.00 16.55 C ATOM 898 C PRO A 58 9.920 18.070 16.614 1.00 16.75 C ATOM 899 O PRO A 58 10.578 19.070 16.403 1.00 17.28 O ATOM 900 CB PRO A 58 10.860 17.206 18.792 1.00 15.65 C ATOM 901 CG PRO A 58 12.360 17.583 18.812 1.00 14.16 C ATOM 902 CD PRO A 58 12.987 16.954 17.553 1.00 13.96 C ATOM 0 HA PRO A 58 9.786 16.063 17.260 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.247 18.033 19.150 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.664 16.357 19.447 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.488 18.665 18.809 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.842 17.207 19.714 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.601 17.674 17.012 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.632 16.113 17.807 1.00 13.96 H new ATOM 910 N GLY A 59 8.679 17.983 16.223 1.00 17.22 N ATOM 911 CA GLY A 59 8.050 19.126 15.507 1.00 15.08 C ATOM 912 C GLY A 59 6.859 18.630 14.686 1.00 14.96 C ATOM 913 O GLY A 59 6.609 17.447 14.597 1.00 13.79 O ATOM 0 H GLY A 59 8.076 17.173 16.368 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.721 19.879 16.223 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.780 19.604 14.854 1.00 15.08 H new ATOM 917 N LEU A 60 6.126 19.527 14.079 1.00 15.83 N ATOM 918 CA LEU A 60 4.963 19.104 13.251 1.00 14.53 C ATOM 919 C LEU A 60 5.489 18.496 11.953 1.00 14.15 C ATOM 920 O LEU A 60 6.479 18.946 11.411 1.00 13.27 O ATOM 921 CB LEU A 60 4.099 20.325 12.925 1.00 15.84 C ATOM 922 CG LEU A 60 2.853 20.330 13.809 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.156 21.060 15.119 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.713 21.044 13.077 1.00 15.01 C ATOM 0 H LEU A 60 6.284 20.534 14.122 1.00 15.83 H new ATOM 0 HA LEU A 60 4.363 18.373 13.793 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.671 21.239 13.083 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.810 20.307 11.874 1.00 15.84 H new ATOM 0 HG LEU A 60 2.559 19.303 14.028 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.266 21.063 15.748 1.00 19.57 H new ATOM 0 HD12 LEU A 60 3.967 20.551 15.640 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.451 22.087 14.903 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.823 21.049 13.706 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.008 22.070 12.858 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.496 20.522 12.145 1.00 15.01 H new ATOM 936 N TYR A 61 4.855 17.475 11.446 1.00 11.12 N ATOM 937 CA TYR A 61 5.360 16.866 10.193 1.00 9.57 C ATOM 938 C TYR A 61 4.272 16.764 9.147 1.00 11.76 C ATOM 939 O TYR A 61 3.091 16.832 9.425 1.00 11.26 O ATOM 940 CB TYR A 61 5.916 15.477 10.472 1.00 9.42 C ATOM 941 CG TYR A 61 7.331 15.629 10.943 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.583 16.087 12.235 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.389 15.341 10.074 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.897 16.256 12.668 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.706 15.513 10.505 1.00 13.99 C ATOM 946 CZ TYR A 61 9.957 15.970 11.802 1.00 11.06 C ATOM 947 OH TYR A 61 11.256 16.142 12.236 1.00 14.61 O ATOM 0 H TYR A 61 4.020 17.043 11.842 1.00 11.12 H new ATOM 0 HA TYR A 61 6.149 17.513 9.810 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.315 14.971 11.228 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.878 14.864 9.572 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.762 16.311 12.900 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.188 14.987 9.074 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.096 16.607 13.670 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.527 15.294 9.839 1.00 13.99 H new ATOM 0 HH TYR A 61 11.284 16.087 13.214 1.00 14.61 H new ATOM 957 N THR A 62 4.692 16.575 7.940 1.00 12.22 N ATOM 958 CA THR A 62 3.754 16.429 6.818 1.00 14.26 C ATOM 959 C THR A 62 4.351 15.397 5.890 1.00 15.40 C ATOM 960 O THR A 62 5.462 15.539 5.417 1.00 16.24 O ATOM 961 CB THR A 62 3.601 17.755 6.088 1.00 15.07 C ATOM 962 OG1 THR A 62 4.830 18.095 5.459 1.00 18.36 O ATOM 963 CG2 THR A 62 3.217 18.838 7.092 1.00 11.61 C ATOM 0 H THR A 62 5.676 16.514 7.680 1.00 12.22 H new ATOM 0 HA THR A 62 2.768 16.125 7.168 1.00 14.26 H new ATOM 0 HB THR A 62 2.823 17.671 5.329 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.731 18.948 4.987 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.106 19.791 6.575 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.274 18.573 7.570 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.996 18.925 7.849 1.00 11.61 H new ATOM 971 N VAL A 63 3.650 14.348 5.646 1.00 14.65 N ATOM 972 CA VAL A 63 4.213 13.303 4.771 1.00 15.17 C ATOM 973 C VAL A 63 4.676 13.943 3.468 1.00 14.24 C ATOM 974 O VAL A 63 4.355 15.076 3.168 1.00 19.13 O ATOM 975 CB VAL A 63 3.167 12.234 4.493 1.00 15.23 C ATOM 976 CG1 VAL A 63 3.866 10.985 3.971 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.424 11.897 5.793 1.00 18.64 C ATOM 0 H VAL A 63 2.715 14.164 6.010 1.00 14.65 H new ATOM 0 HA VAL A 63 5.062 12.830 5.264 1.00 15.17 H new ATOM 0 HB VAL A 63 2.454 12.597 3.753 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.125 10.211 3.768 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.401 11.225 3.052 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.572 10.624 4.719 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.674 11.131 5.595 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.134 11.527 6.533 1.00 18.64 H new ATOM 0 HG23 VAL A 63 1.935 12.793 6.176 1.00 18.64 H new ATOM 987 N HIS A 64 5.433 13.227 2.700 1.00 13.31 N ATOM 988 CA HIS A 64 5.936 13.780 1.415 1.00 10.78 C ATOM 989 C HIS A 64 5.759 12.722 0.328 1.00 14.19 C ATOM 990 O HIS A 64 6.170 11.588 0.486 1.00 11.59 O ATOM 991 CB HIS A 64 7.422 14.130 1.553 1.00 11.86 C ATOM 992 CG HIS A 64 7.802 15.183 0.541 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.248 15.229 -0.729 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.693 16.227 0.595 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.807 16.261 -1.381 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.695 16.906 -0.621 1.00 20.65 N ATOM 0 H HIS A 64 5.730 12.273 2.905 1.00 13.31 H new ATOM 0 HA HIS A 64 5.381 14.681 1.154 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.626 14.492 2.561 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.029 13.237 1.406 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.300 16.483 1.451 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.567 16.536 -2.397 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.254 17.720 -0.876 1.00 20.65 H new ATOM 1004 N LEU A 65 5.156 13.071 -0.774 1.00 12.93 N ATOM 1005 CA LEU A 65 4.965 12.070 -1.854 1.00 14.44 C ATOM 1006 C LEU A 65 6.300 11.789 -2.550 1.00 12.66 C ATOM 1007 O LEU A 65 6.360 11.026 -3.494 1.00 10.20 O ATOM 1008 CB LEU A 65 3.956 12.593 -2.873 1.00 14.94 C ATOM 1009 CG LEU A 65 4.612 13.664 -3.721 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.883 13.105 -5.119 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.688 14.875 -3.820 1.00 19.03 C ATOM 0 H LEU A 65 4.789 14.002 -0.971 1.00 12.93 H new ATOM 0 HA LEU A 65 4.589 11.146 -1.416 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.603 11.778 -3.505 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.084 13.001 -2.362 1.00 14.94 H new ATOM 0 HG LEU A 65 5.553 13.969 -3.263 1.00 19.65 H new ATOM 0 HD11 LEU A 65 5.355 13.872 -5.733 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.545 12.242 -5.044 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.942 12.801 -5.578 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.161 15.645 -4.430 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.745 14.577 -4.279 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.497 15.270 -2.822 1.00 19.03 H new ATOM 1023 N SER A 66 7.376 12.376 -2.092 1.00 13.51 N ATOM 1024 CA SER A 66 8.681 12.100 -2.739 1.00 10.39 C ATOM 1025 C SER A 66 8.916 10.594 -2.686 1.00 8.56 C ATOM 1026 O SER A 66 9.713 10.046 -3.422 1.00 11.70 O ATOM 1027 CB SER A 66 9.797 12.824 -1.985 1.00 12.88 C ATOM 1028 OG SER A 66 11.056 12.409 -2.497 1.00 14.72 O ATOM 0 H SER A 66 7.402 13.026 -1.307 1.00 13.51 H new ATOM 0 HA SER A 66 8.677 12.451 -3.771 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.685 13.903 -2.094 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.734 12.603 -0.919 1.00 12.88 H new ATOM 0 HG SER A 66 11.773 12.873 -2.017 1.00 14.72 H new ATOM 1034 N SER A 67 8.217 9.923 -1.810 1.00 7.98 N ATOM 1035 CA SER A 67 8.380 8.452 -1.690 1.00 8.20 C ATOM 1036 C SER A 67 7.227 7.731 -2.399 1.00 11.02 C ATOM 1037 O SER A 67 7.239 6.524 -2.543 1.00 11.45 O ATOM 1038 CB SER A 67 8.390 8.062 -0.217 1.00 8.01 C ATOM 1039 OG SER A 67 9.606 7.388 0.082 1.00 11.22 O ATOM 0 H SER A 67 7.538 10.336 -1.171 1.00 7.98 H new ATOM 0 HA SER A 67 9.321 8.161 -2.156 1.00 8.20 H new ATOM 0 HB2 SER A 67 8.290 8.950 0.407 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.539 7.418 0.006 1.00 8.01 H new ATOM 0 HG SER A 67 9.441 6.703 0.763 1.00 11.22 H new ATOM 1045 N PHE A 68 6.226 8.450 -2.842 1.00 10.09 N ATOM 1046 CA PHE A 68 5.085 7.782 -3.532 1.00 11.79 C ATOM 1047 C PHE A 68 5.526 7.373 -4.936 1.00 12.69 C ATOM 1048 O PHE A 68 6.434 7.948 -5.503 1.00 14.25 O ATOM 1049 CB PHE A 68 3.895 8.748 -3.633 1.00 10.08 C ATOM 1050 CG PHE A 68 3.533 9.288 -2.266 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.200 8.841 -1.113 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.549 10.279 -2.159 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.878 9.384 0.135 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.233 10.824 -0.911 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.898 10.377 0.235 1.00 11.87 C ATOM 0 H PHE A 68 6.151 9.464 -2.756 1.00 10.09 H new ATOM 0 HA PHE A 68 4.782 6.902 -2.964 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.144 9.572 -4.302 1.00 10.08 H new ATOM 0 HB3 PHE A 68 3.037 8.234 -4.066 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.961 8.079 -1.190 1.00 10.16 H new ATOM 0 HD2 PHE A 68 2.033 10.623 -3.043 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.386 9.036 1.022 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.476 11.590 -0.832 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.655 10.799 1.199 1.00 11.87 H new ATOM 1065 N LYS A 69 4.896 6.385 -5.502 1.00 12.51 N ATOM 1066 CA LYS A 69 5.287 5.945 -6.871 1.00 15.38 C ATOM 1067 C LYS A 69 4.123 5.204 -7.525 1.00 15.02 C ATOM 1068 O LYS A 69 3.091 4.989 -6.921 1.00 15.36 O ATOM 1069 CB LYS A 69 6.505 5.019 -6.787 1.00 16.04 C ATOM 1070 CG LYS A 69 6.286 3.970 -5.696 1.00 20.35 C ATOM 1071 CD LYS A 69 7.485 3.019 -5.655 1.00 21.35 C ATOM 1072 CE LYS A 69 8.675 3.722 -4.997 1.00 30.24 C ATOM 1073 NZ LYS A 69 9.730 3.973 -6.019 1.00 32.70 N ATOM 0 H LYS A 69 4.129 5.863 -5.079 1.00 12.51 H new ATOM 0 HA LYS A 69 5.540 6.819 -7.471 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.668 4.529 -7.747 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.401 5.601 -6.570 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.161 4.456 -4.729 1.00 20.35 H new ATOM 0 HG3 LYS A 69 5.371 3.411 -5.892 1.00 20.35 H new ATOM 0 HD2 LYS A 69 7.228 2.118 -5.098 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.748 2.705 -6.665 1.00 21.35 H new ATOM 0 HE2 LYS A 69 8.354 4.663 -4.551 1.00 30.24 H new ATOM 0 HE3 LYS A 69 9.074 3.107 -4.190 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.539 4.451 -5.573 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.043 3.068 -6.424 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 9.345 4.576 -6.774 1.00 32.70 H new ATOM 1087 N VAL A 70 4.282 4.813 -8.758 1.00 13.65 N ATOM 1088 CA VAL A 70 3.184 4.084 -9.457 1.00 13.49 C ATOM 1089 C VAL A 70 3.590 2.622 -9.648 1.00 11.85 C ATOM 1090 O VAL A 70 4.535 2.317 -10.349 1.00 12.13 O ATOM 1091 CB VAL A 70 2.905 4.715 -10.826 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.395 4.762 -11.059 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.471 6.139 -10.891 1.00 15.63 C ATOM 0 H VAL A 70 5.124 4.966 -9.313 1.00 13.65 H new ATOM 0 HA VAL A 70 2.280 4.145 -8.851 1.00 13.49 H new ATOM 0 HB VAL A 70 3.386 4.111 -11.595 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.191 5.210 -12.031 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.991 3.750 -11.034 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.925 5.360 -10.278 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.262 6.569 -11.871 1.00 15.63 H new ATOM 0 HG22 VAL A 70 3.005 6.751 -10.119 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.549 6.110 -10.729 1.00 15.63 H new ATOM 1103 N GLY A 71 2.884 1.715 -9.031 1.00 11.15 N ATOM 1104 CA GLY A 71 3.232 0.272 -9.178 1.00 11.07 C ATOM 1105 C GLY A 71 2.995 -0.166 -10.625 1.00 12.15 C ATOM 1106 O GLY A 71 2.578 0.613 -11.458 1.00 12.70 O ATOM 0 H GLY A 71 2.082 1.910 -8.432 1.00 11.15 H new ATOM 0 HA2 GLY A 71 4.274 0.109 -8.904 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.626 -0.330 -8.501 1.00 11.07 H new ATOM 1110 N GLN A 72 3.257 -1.408 -10.931 1.00 15.78 N ATOM 1111 CA GLN A 72 3.047 -1.894 -12.320 1.00 19.42 C ATOM 1112 C GLN A 72 1.611 -2.391 -12.469 1.00 16.97 C ATOM 1113 O GLN A 72 1.354 -3.417 -13.067 1.00 20.46 O ATOM 1114 CB GLN A 72 4.022 -3.036 -12.616 1.00 22.64 C ATOM 1115 CG GLN A 72 5.454 -2.497 -12.601 1.00 25.29 C ATOM 1116 CD GLN A 72 5.542 -1.255 -13.490 1.00 26.29 C ATOM 1117 OE1 GLN A 72 5.964 -1.336 -14.627 1.00 26.22 O ATOM 1118 NE2 GLN A 72 5.159 -0.099 -13.018 1.00 25.15 N ATOM 0 H GLN A 72 3.608 -2.107 -10.276 1.00 15.78 H new ATOM 0 HA GLN A 72 3.224 -1.080 -13.023 1.00 19.42 H new ATOM 0 HB2 GLN A 72 3.911 -3.826 -11.873 1.00 22.64 H new ATOM 0 HB3 GLN A 72 3.798 -3.478 -13.587 1.00 22.64 H new ATOM 0 HG2 GLN A 72 5.750 -2.249 -11.582 1.00 25.29 H new ATOM 0 HG3 GLN A 72 6.145 -3.261 -12.956 1.00 25.29 H new ATOM 0 HE21 GLN A 72 4.805 -0.030 -12.064 1.00 25.15 H new ATOM 0 HE22 GLN A 72 5.214 0.734 -13.603 1.00 25.15 H new ATOM 1127 N PHE A 73 0.675 -1.667 -11.925 1.00 14.56 N ATOM 1128 CA PHE A 73 -0.750 -2.088 -12.028 1.00 14.60 C ATOM 1129 C PHE A 73 -1.644 -0.848 -12.067 1.00 15.63 C ATOM 1130 O PHE A 73 -2.740 -0.844 -11.542 1.00 17.80 O ATOM 1131 CB PHE A 73 -1.115 -2.944 -10.814 1.00 12.63 C ATOM 1132 CG PHE A 73 0.000 -3.922 -10.537 1.00 14.99 C ATOM 1133 CD1 PHE A 73 0.000 -5.176 -11.158 1.00 19.79 C ATOM 1134 CD2 PHE A 73 1.037 -3.574 -9.662 1.00 16.27 C ATOM 1135 CE1 PHE A 73 1.035 -6.084 -10.904 1.00 18.68 C ATOM 1136 CE2 PHE A 73 2.072 -4.481 -9.408 1.00 20.44 C ATOM 1137 CZ PHE A 73 2.071 -5.736 -10.030 1.00 17.88 C ATOM 0 H PHE A 73 0.835 -0.800 -11.412 1.00 14.56 H new ATOM 0 HA PHE A 73 -0.895 -2.669 -12.939 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.281 -2.309 -9.944 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.046 -3.480 -11.000 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -0.799 -5.444 -11.834 1.00 19.79 H new ATOM 0 HD2 PHE A 73 1.038 -2.606 -9.183 1.00 16.27 H new ATOM 0 HE1 PHE A 73 1.034 -7.052 -11.382 1.00 18.68 H new ATOM 0 HE2 PHE A 73 2.871 -4.213 -8.733 1.00 20.44 H new ATOM 0 HZ PHE A 73 2.870 -6.436 -9.835 1.00 17.88 H new ATOM 1147 N GLY A 74 -1.185 0.207 -12.683 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.010 1.444 -12.751 1.00 13.44 C ATOM 1149 C GLY A 74 -2.549 1.767 -11.358 1.00 10.42 C ATOM 1150 O GLY A 74 -3.743 1.837 -11.145 1.00 13.62 O ATOM 0 H GLY A 74 -0.276 0.265 -13.141 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -1.411 2.275 -13.124 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -2.835 1.307 -13.450 1.00 13.44 H new ATOM 1154 N SER A 75 -1.677 1.957 -10.405 1.00 12.64 N ATOM 1155 CA SER A 75 -2.143 2.269 -9.024 1.00 12.47 C ATOM 1156 C SER A 75 -1.041 3.004 -8.255 1.00 12.47 C ATOM 1157 O SER A 75 0.116 2.636 -8.303 1.00 11.32 O ATOM 1158 CB SER A 75 -2.485 0.966 -8.301 1.00 11.21 C ATOM 1159 OG SER A 75 -3.793 0.552 -8.673 1.00 18.27 O ATOM 0 H SER A 75 -0.665 1.910 -10.523 1.00 12.64 H new ATOM 0 HA SER A 75 -3.027 2.905 -9.077 1.00 12.47 H new ATOM 0 HB2 SER A 75 -1.760 0.193 -8.557 1.00 11.21 H new ATOM 0 HB3 SER A 75 -2.430 1.110 -7.222 1.00 11.21 H new ATOM 0 HG SER A 75 -4.021 0.934 -9.546 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.396 4.037 -7.538 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.376 4.796 -6.756 1.00 12.18 C ATOM 1167 C LEU A 76 0.050 3.961 -5.546 1.00 12.07 C ATOM 1168 O LEU A 76 -0.604 3.003 -5.188 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.987 6.114 -6.276 1.00 11.99 C ATOM 1170 CG LEU A 76 -0.025 7.264 -6.572 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.320 7.831 -7.963 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.213 8.363 -5.522 1.00 7.80 C ATOM 0 H LEU A 76 -2.350 4.389 -7.460 1.00 12.43 H new ATOM 0 HA LEU A 76 0.492 5.004 -7.382 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.941 6.287 -6.775 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.191 6.064 -5.206 1.00 11.99 H new ATOM 0 HG LEU A 76 1.002 6.899 -6.540 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.366 8.651 -8.175 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.191 7.048 -8.710 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.346 8.198 -7.996 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.472 9.185 -5.730 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.240 8.728 -5.557 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.005 7.959 -4.531 1.00 7.80 H new ATOM 1184 N MET A 77 1.138 4.313 -4.908 1.00 14.08 N ATOM 1185 CA MET A 77 1.587 3.524 -3.723 1.00 14.12 C ATOM 1186 C MET A 77 2.659 4.299 -2.953 1.00 11.37 C ATOM 1187 O MET A 77 3.785 4.425 -3.391 1.00 11.44 O ATOM 1188 CB MET A 77 2.174 2.189 -4.186 1.00 16.48 C ATOM 1189 CG MET A 77 1.045 1.197 -4.463 1.00 24.75 C ATOM 1190 SD MET A 77 1.582 -0.471 -4.011 1.00 35.11 S ATOM 1191 CE MET A 77 0.057 -0.984 -3.183 1.00 33.86 C ATOM 0 H MET A 77 1.730 5.106 -5.155 1.00 14.08 H new ATOM 0 HA MET A 77 0.730 3.346 -3.074 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.771 2.336 -5.086 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.842 1.790 -3.422 1.00 16.48 H new ATOM 0 HG2 MET A 77 0.157 1.472 -3.893 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.769 1.229 -5.517 1.00 24.75 H new ATOM 0 HE1 MET A 77 0.167 -2.005 -2.817 1.00 33.86 H new ATOM 0 HE2 MET A 77 -0.143 -0.318 -2.344 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.773 -0.939 -3.888 1.00 33.86 H new ATOM 1201 N ILE A 78 2.314 4.809 -1.806 1.00 11.78 N ATOM 1202 CA ILE A 78 3.306 5.570 -0.990 1.00 11.62 C ATOM 1203 C ILE A 78 4.652 4.839 -1.005 1.00 11.45 C ATOM 1204 O ILE A 78 5.703 5.449 -0.995 1.00 12.59 O ATOM 1205 CB ILE A 78 2.782 5.702 0.452 1.00 12.05 C ATOM 1206 CG1 ILE A 78 1.916 6.960 0.559 1.00 7.09 C ATOM 1207 CG2 ILE A 78 3.944 5.803 1.447 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.682 6.662 1.417 1.00 13.67 C ATOM 0 H ILE A 78 1.384 4.733 -1.394 1.00 11.78 H new ATOM 0 HA ILE A 78 3.445 6.566 -1.410 1.00 11.62 H new ATOM 0 HB ILE A 78 2.194 4.816 0.692 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.491 7.773 1.001 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.610 7.289 -0.434 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.550 5.895 2.459 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.561 4.907 1.378 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.549 6.679 1.212 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.066 7.558 1.492 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.103 5.862 0.956 1.00 13.67 H new ATOM 0 HD13 ILE A 78 0.998 6.354 2.414 1.00 13.67 H new ATOM 1220 N ASP A 79 4.624 3.541 -1.023 1.00 10.05 N ATOM 1221 CA ASP A 79 5.898 2.764 -1.032 1.00 14.79 C ATOM 1222 C ASP A 79 6.872 3.373 -0.022 1.00 15.20 C ATOM 1223 O ASP A 79 7.984 3.735 -0.351 1.00 18.10 O ATOM 1224 CB ASP A 79 6.513 2.824 -2.425 1.00 12.21 C ATOM 1225 CG ASP A 79 7.153 1.476 -2.764 1.00 17.52 C ATOM 1226 OD1 ASP A 79 8.268 1.246 -2.327 1.00 21.87 O ATOM 1227 OD2 ASP A 79 6.516 0.697 -3.454 1.00 24.06 O ATOM 0 H ASP A 79 3.773 2.978 -1.032 1.00 10.05 H new ATOM 0 HA ASP A 79 5.696 1.727 -0.764 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.747 3.069 -3.161 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.262 3.615 -2.469 1.00 12.21 H new ATOM 1232 N ARG A 80 6.452 3.493 1.203 1.00 17.08 N ATOM 1233 CA ARG A 80 7.335 4.086 2.251 1.00 17.14 C ATOM 1234 C ARG A 80 7.332 5.604 2.097 1.00 14.98 C ATOM 1235 O ARG A 80 8.221 6.185 1.514 1.00 16.47 O ATOM 1236 CB ARG A 80 8.760 3.551 2.097 1.00 17.78 C ATOM 1237 CG ARG A 80 9.461 3.562 3.458 1.00 22.76 C ATOM 1238 CD ARG A 80 10.335 4.812 3.576 1.00 28.43 C ATOM 1239 NE ARG A 80 11.368 4.802 2.501 1.00 33.10 N ATOM 1240 CZ ARG A 80 12.032 5.891 2.218 1.00 30.84 C ATOM 1241 NH1 ARG A 80 11.794 6.994 2.874 1.00 33.12 N ATOM 1242 NH2 ARG A 80 12.936 5.876 1.278 1.00 35.04 N ATOM 0 H ARG A 80 5.530 3.205 1.529 1.00 17.08 H new ATOM 0 HA ARG A 80 6.965 3.815 3.240 1.00 17.14 H new ATOM 0 HB2 ARG A 80 8.738 2.538 1.696 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.314 4.163 1.386 1.00 17.78 H new ATOM 0 HG2 ARG A 80 8.722 3.546 4.259 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.072 2.667 3.571 1.00 22.76 H new ATOM 0 HD2 ARG A 80 9.719 5.708 3.495 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.814 4.842 4.555 1.00 28.43 H new ATOM 0 HE ARG A 80 11.557 3.943 1.985 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.088 7.007 3.610 1.00 33.12 H new ATOM 0 HH12 ARG A 80 12.314 7.843 2.651 1.00 33.12 H new ATOM 0 HH21 ARG A 80 13.124 5.015 0.765 1.00 35.04 H new ATOM 0 HH22 ARG A 80 13.455 6.726 1.056 1.00 35.04 H new ATOM 1256 N LEU A 81 6.318 6.235 2.609 1.00 11.03 N ATOM 1257 CA LEU A 81 6.194 7.710 2.499 1.00 11.27 C ATOM 1258 C LEU A 81 7.430 8.427 3.060 1.00 15.61 C ATOM 1259 O LEU A 81 8.063 7.975 3.993 1.00 18.56 O ATOM 1260 CB LEU A 81 4.961 8.149 3.278 1.00 13.62 C ATOM 1261 CG LEU A 81 5.264 8.128 4.775 1.00 12.84 C ATOM 1262 CD1 LEU A 81 3.987 8.452 5.554 1.00 11.44 C ATOM 1263 CD2 LEU A 81 5.762 6.732 5.173 1.00 18.72 C ATOM 0 H LEU A 81 5.554 5.781 3.110 1.00 11.03 H new ATOM 0 HA LEU A 81 6.106 7.974 1.445 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.663 9.152 2.971 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.124 7.486 3.057 1.00 13.62 H new ATOM 0 HG LEU A 81 6.030 8.868 5.004 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.199 8.438 6.623 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.628 9.441 5.268 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.223 7.708 5.326 1.00 11.44 H new ATOM 0 HD21 LEU A 81 5.979 6.714 6.241 1.00 18.72 H new ATOM 0 HD22 LEU A 81 4.993 5.993 4.946 1.00 18.72 H new ATOM 0 HD23 LEU A 81 6.668 6.496 4.615 1.00 18.72 H new ATOM 1275 N ARG A 82 7.749 9.566 2.507 1.00 13.37 N ATOM 1276 CA ARG A 82 8.910 10.357 3.007 1.00 12.72 C ATOM 1277 C ARG A 82 8.374 11.464 3.918 1.00 13.33 C ATOM 1278 O ARG A 82 7.822 12.445 3.461 1.00 13.27 O ATOM 1279 CB ARG A 82 9.661 10.980 1.828 1.00 13.85 C ATOM 1280 CG ARG A 82 11.157 10.693 1.968 1.00 16.22 C ATOM 1281 CD ARG A 82 11.961 11.774 1.242 1.00 16.62 C ATOM 1282 NE ARG A 82 12.528 12.729 2.236 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.504 13.528 1.896 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.998 13.484 0.687 1.00 20.55 N ATOM 1285 NH2 ARG A 82 13.989 14.371 2.766 1.00 16.89 N ATOM 0 H ARG A 82 7.250 9.986 1.723 1.00 13.37 H new ATOM 0 HA ARG A 82 9.596 9.712 3.556 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.288 10.572 0.889 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.487 12.056 1.800 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.435 10.666 3.022 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.389 9.713 1.552 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.764 11.317 0.663 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.322 12.305 0.537 1.00 16.62 H new ATOM 0 HE ARG A 82 12.153 12.759 3.184 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.622 12.825 0.006 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.760 14.109 0.424 1.00 20.55 H new ATOM 0 HH21 ARG A 82 13.606 14.406 3.711 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.751 14.995 2.501 1.00 16.89 H new ATOM 1299 N LEU A 83 8.501 11.299 5.205 1.00 13.53 N ATOM 1300 CA LEU A 83 7.965 12.323 6.150 1.00 13.86 C ATOM 1301 C LEU A 83 8.851 13.570 6.190 1.00 13.02 C ATOM 1302 O LEU A 83 10.046 13.517 5.978 1.00 14.40 O ATOM 1303 CB LEU A 83 7.901 11.734 7.559 1.00 9.93 C ATOM 1304 CG LEU A 83 6.478 11.831 8.101 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.485 11.464 9.588 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.973 13.265 7.933 1.00 10.58 C ATOM 0 H LEU A 83 8.953 10.498 5.646 1.00 13.53 H new ATOM 0 HA LEU A 83 6.972 12.607 5.801 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.222 10.693 7.542 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.587 12.268 8.217 1.00 9.93 H new ATOM 0 HG LEU A 83 5.825 11.149 7.557 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.472 11.531 9.984 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.856 10.446 9.710 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.132 12.154 10.130 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.956 13.340 8.319 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.622 13.946 8.484 1.00 10.58 H new ATOM 0 HD23 LEU A 83 5.981 13.532 6.876 1.00 10.58 H new ATOM 1318 N VAL A 84 8.252 14.692 6.482 1.00 11.81 N ATOM 1319 CA VAL A 84 9.002 15.965 6.575 1.00 12.86 C ATOM 1320 C VAL A 84 8.266 16.872 7.569 1.00 14.98 C ATOM 1321 O VAL A 84 7.080 16.722 7.762 1.00 13.59 O ATOM 1322 CB VAL A 84 9.027 16.625 5.201 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.844 15.767 4.233 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.595 16.768 4.676 1.00 17.34 C ATOM 0 H VAL A 84 7.252 14.776 6.663 1.00 11.81 H new ATOM 0 HA VAL A 84 10.025 15.792 6.908 1.00 12.86 H new ATOM 0 HB VAL A 84 9.484 17.611 5.282 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.860 16.241 3.252 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.864 15.669 4.606 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.391 14.779 4.151 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.613 17.240 3.694 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.136 15.782 4.597 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.015 17.384 5.364 1.00 17.34 H new ATOM 1334 N PRO A 85 8.977 17.795 8.157 1.00 18.65 N ATOM 1335 CA PRO A 85 8.388 18.746 9.118 1.00 22.41 C ATOM 1336 C PRO A 85 7.339 19.628 8.425 1.00 25.70 C ATOM 1337 O PRO A 85 7.477 19.980 7.270 1.00 22.08 O ATOM 1338 CB PRO A 85 9.590 19.541 9.630 1.00 21.19 C ATOM 1339 CG PRO A 85 10.696 19.352 8.580 1.00 18.95 C ATOM 1340 CD PRO A 85 10.412 17.995 7.914 1.00 20.63 C ATOM 0 HA PRO A 85 7.852 18.267 9.937 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.340 20.595 9.749 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.912 19.178 10.606 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.681 20.158 7.847 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.682 19.361 9.044 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.641 18.014 6.849 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.010 17.197 8.355 1.00 20.63 H new ATOM 1348 N ALA A 86 6.281 19.971 9.116 1.00 31.74 N ATOM 1349 CA ALA A 86 5.213 20.807 8.497 1.00 39.94 C ATOM 1350 C ALA A 86 5.723 22.238 8.327 1.00 46.96 C ATOM 1351 O ALA A 86 6.398 22.773 9.184 1.00 49.29 O ATOM 1352 CB ALA A 86 3.978 20.807 9.404 1.00 39.70 C ATOM 0 H ALA A 86 6.112 19.706 10.086 1.00 31.74 H new ATOM 0 HA ALA A 86 4.947 20.398 7.522 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.196 21.418 8.953 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.616 19.786 9.526 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.242 21.217 10.379 1.00 39.70 H new ATOM 1358 N LYS A 87 5.408 22.859 7.227 1.00 51.78 N ATOM 1359 CA LYS A 87 5.875 24.256 6.999 1.00 55.12 C ATOM 1360 C LYS A 87 4.787 25.047 6.271 1.00 55.82 C ATOM 1361 O LYS A 87 3.745 24.474 6.003 1.00 58.05 O ATOM 1362 CB LYS A 87 7.146 24.236 6.148 1.00 52.96 C ATOM 1363 CG LYS A 87 6.814 23.713 4.749 1.00 55.49 C ATOM 1364 CD LYS A 87 6.691 24.889 3.779 1.00 56.64 C ATOM 1365 CE LYS A 87 6.753 24.374 2.340 1.00 58.91 C ATOM 1366 NZ LYS A 87 7.884 25.030 1.626 1.00 58.16 N ATOM 1367 OXT LYS A 87 5.016 26.213 5.993 1.00 57.66 O ATOM 0 H LYS A 87 4.847 22.461 6.474 1.00 51.78 H new ATOM 0 HA LYS A 87 6.086 24.729 7.958 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.569 25.239 6.082 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.900 23.602 6.616 1.00 52.96 H new ATOM 0 HG2 LYS A 87 7.593 23.029 4.411 1.00 55.49 H new ATOM 0 HG3 LYS A 87 5.882 23.148 4.772 1.00 55.49 H new ATOM 0 HD2 LYS A 87 5.752 25.416 3.947 1.00 56.64 H new ATOM 0 HD3 LYS A 87 7.494 25.605 3.955 1.00 56.64 H new ATOM 0 HE2 LYS A 87 6.884 23.292 2.335 1.00 58.91 H new ATOM 0 HE3 LYS A 87 5.814 24.583 1.827 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 7.927 24.680 0.648 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 7.740 26.060 1.619 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 8.776 24.809 2.112 1.00 58.16 H new ATOM 1382 N MET B 1 2.822 19.091 -4.552 1.00 42.32 N ATOM 1383 CA MET B 1 1.898 18.040 -4.039 1.00 40.89 C ATOM 1384 C MET B 1 1.856 16.875 -5.027 1.00 34.75 C ATOM 1385 O MET B 1 2.518 16.888 -6.046 1.00 33.97 O ATOM 1386 CB MET B 1 0.488 18.627 -3.884 1.00 48.45 C ATOM 1387 CG MET B 1 -0.159 18.816 -5.263 1.00 56.13 C ATOM 1388 SD MET B 1 -0.477 20.576 -5.541 1.00 64.91 S ATOM 1389 CE MET B 1 -1.819 20.757 -4.340 1.00 63.43 C ATOM 0 H1 MET B 1 3.562 19.277 -3.846 1.00 42.32 H new ATOM 0 H2 MET B 1 3.261 18.765 -5.437 1.00 42.32 H new ATOM 0 H3 MET B 1 2.288 19.965 -4.732 1.00 42.32 H new ATOM 0 HA MET B 1 2.253 17.686 -3.071 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.125 17.964 -3.274 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.539 19.583 -3.363 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.497 18.426 -6.041 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.091 18.253 -5.320 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.476 21.571 -4.648 1.00 63.43 H new ATOM 0 HE2 MET B 1 -2.390 19.830 -4.289 1.00 63.43 H new ATOM 0 HE3 MET B 1 -1.401 20.980 -3.358 1.00 63.43 H new ATOM 1401 N ILE B 2 1.069 15.876 -4.746 1.00 28.59 N ATOM 1402 CA ILE B 2 0.974 14.726 -5.685 1.00 24.58 C ATOM 1403 C ILE B 2 0.189 15.191 -6.909 1.00 19.29 C ATOM 1404 O ILE B 2 -0.997 14.957 -7.035 1.00 19.53 O ATOM 1405 CB ILE B 2 0.261 13.561 -5.001 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.806 13.388 -3.584 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.514 12.276 -5.787 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.329 12.960 -2.663 1.00 33.80 C ATOM 0 H ILE B 2 0.489 15.806 -3.910 1.00 28.59 H new ATOM 0 HA ILE B 2 1.965 14.386 -5.985 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.808 13.768 -4.963 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.600 12.641 -3.575 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.244 14.322 -3.233 1.00 28.92 H new ATOM 0 HG21 ILE B 2 0.005 11.445 -5.299 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.133 12.389 -6.802 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.585 12.076 -5.822 1.00 23.06 H new ATOM 0 HD11 ILE B 2 0.052 12.834 -1.650 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.107 13.723 -2.666 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.746 12.016 -3.013 1.00 33.80 H new ATOM 1420 N LYS B 3 0.846 15.891 -7.788 1.00 18.14 N ATOM 1421 CA LYS B 3 0.162 16.435 -8.994 1.00 16.66 C ATOM 1422 C LYS B 3 -0.229 15.325 -9.965 1.00 14.94 C ATOM 1423 O LYS B 3 0.350 14.258 -9.991 1.00 13.94 O ATOM 1424 CB LYS B 3 1.099 17.414 -9.703 1.00 16.94 C ATOM 1425 CG LYS B 3 0.822 18.836 -9.210 1.00 17.85 C ATOM 1426 CD LYS B 3 0.807 19.794 -10.403 1.00 19.63 C ATOM 1427 CE LYS B 3 0.969 21.231 -9.905 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.411 22.172 -10.917 1.00 32.72 N ATOM 0 H LYS B 3 1.839 16.113 -7.722 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.748 16.940 -8.670 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.137 17.146 -9.507 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.953 17.357 -10.782 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.135 18.872 -8.689 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.586 19.140 -8.495 1.00 17.85 H new ATOM 0 HD2 LYS B 3 1.612 19.544 -11.094 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -0.128 19.692 -10.953 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.455 21.357 -8.952 1.00 26.28 H new ATOM 0 HE3 LYS B 3 2.022 21.450 -9.730 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.739 23.137 -10.712 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 0.732 21.892 -11.866 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 -0.628 22.145 -10.881 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.216 15.597 -10.774 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.682 14.604 -11.774 1.00 12.99 C ATOM 1444 C VAL B 4 -2.577 15.329 -12.790 1.00 14.26 C ATOM 1445 O VAL B 4 -2.963 16.463 -12.592 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.452 13.467 -11.063 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.033 13.968 -9.741 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.587 12.939 -11.953 1.00 10.41 C ATOM 0 H VAL B 4 -1.725 16.481 -10.782 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.836 14.156 -12.295 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.751 12.656 -10.866 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.573 13.158 -9.250 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.225 14.309 -9.094 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.717 14.795 -9.934 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.115 12.140 -11.433 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.282 13.749 -12.175 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.170 12.553 -12.883 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.894 14.687 -13.877 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.751 15.336 -14.911 1.00 10.51 C ATOM 1460 C GLU B 5 -4.678 14.301 -15.526 1.00 10.00 C ATOM 1461 O GLU B 5 -4.254 13.402 -16.222 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.863 15.933 -16.001 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.304 17.266 -15.514 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.203 17.741 -16.465 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.529 18.420 -17.425 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -0.053 17.418 -16.217 1.00 22.12 O ATOM 0 H GLU B 5 -2.596 13.737 -14.097 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.345 16.125 -14.449 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.049 15.249 -16.240 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.437 16.078 -16.916 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.100 18.009 -15.464 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.905 17.158 -14.505 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.947 14.424 -15.285 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.893 13.440 -15.880 1.00 10.60 C ATOM 1475 C ILE B 6 -6.991 13.724 -17.388 1.00 10.16 C ATOM 1476 O ILE B 6 -7.648 14.653 -17.815 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.270 13.539 -15.181 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.358 12.450 -14.106 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.408 13.330 -16.179 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.172 13.070 -12.720 1.00 13.81 C ATOM 0 H ILE B 6 -6.370 15.152 -14.710 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.536 12.420 -15.735 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.366 14.532 -14.741 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.324 11.948 -14.163 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.594 11.692 -14.280 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.364 13.405 -15.661 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.355 14.093 -16.956 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.317 12.343 -16.633 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.236 12.290 -11.961 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.196 13.551 -12.665 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.952 13.811 -12.545 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.330 12.928 -18.193 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.364 13.141 -19.666 1.00 11.59 C ATOM 1494 C LYS B 7 -7.797 13.444 -20.104 1.00 12.98 C ATOM 1495 O LYS B 7 -8.732 13.165 -19.380 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.872 11.861 -20.352 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.444 11.555 -19.910 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.506 12.659 -20.400 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.423 13.765 -19.347 1.00 19.19 C ATOM 1500 NZ LYS B 7 -1.993 14.054 -19.043 1.00 25.43 N ATOM 0 H LYS B 7 -5.766 12.136 -17.886 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.725 13.980 -19.941 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.527 11.027 -20.100 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.910 11.980 -21.435 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.397 11.480 -18.824 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.128 10.592 -20.310 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -2.514 12.249 -20.591 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.869 13.067 -21.343 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -3.918 14.666 -19.710 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.944 13.458 -18.440 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -1.936 14.757 -18.279 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -1.518 13.179 -18.744 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -1.526 14.428 -19.894 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.933 13.994 -21.285 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.251 14.324 -21.843 1.00 11.93 C ATOM 1516 C PRO B 8 -9.959 13.034 -22.252 1.00 10.20 C ATOM 1517 O PRO B 8 -11.149 13.009 -22.494 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.930 15.219 -23.043 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.464 14.917 -23.429 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.797 14.324 -22.172 1.00 13.61 C ATOM 0 HA PRO B 8 -9.920 14.828 -21.145 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.602 15.010 -23.875 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.056 16.271 -22.788 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.418 14.214 -24.261 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.952 15.824 -23.749 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.208 13.439 -22.413 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.120 15.039 -21.704 1.00 13.61 H new ATOM 1528 N SER B 9 -9.229 11.954 -22.295 1.00 10.65 N ATOM 1529 CA SER B 9 -9.844 10.648 -22.643 1.00 10.83 C ATOM 1530 C SER B 9 -10.115 9.884 -21.344 1.00 10.94 C ATOM 1531 O SER B 9 -10.497 8.730 -21.356 1.00 13.16 O ATOM 1532 CB SER B 9 -8.881 9.846 -23.521 1.00 13.01 C ATOM 1533 OG SER B 9 -9.275 8.480 -23.522 1.00 15.52 O ATOM 0 H SER B 9 -8.228 11.923 -22.103 1.00 10.65 H new ATOM 0 HA SER B 9 -10.774 10.802 -23.189 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.885 10.238 -24.538 1.00 13.01 H new ATOM 0 HB3 SER B 9 -7.862 9.943 -23.146 1.00 13.01 H new ATOM 0 HG SER B 9 -10.125 8.384 -23.044 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.916 10.526 -20.219 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.155 9.857 -18.914 1.00 11.55 C ATOM 1541 C GLN B 10 -11.043 10.755 -18.053 1.00 13.72 C ATOM 1542 O GLN B 10 -10.816 10.915 -16.872 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.823 9.639 -18.195 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.753 9.223 -19.203 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.833 7.715 -19.445 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -6.936 6.981 -19.080 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -8.875 7.218 -20.051 1.00 4.80 N ATOM 0 H GLN B 10 -9.596 11.492 -20.154 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.640 8.895 -19.081 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.520 10.554 -17.686 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.934 8.870 -17.430 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.895 9.760 -20.141 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.764 9.489 -18.829 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -9.628 7.833 -20.358 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -8.937 6.214 -20.218 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.042 11.361 -18.635 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.926 12.263 -17.840 1.00 18.95 C ATOM 1558 C ALA B 11 -14.236 11.553 -17.497 1.00 20.75 C ATOM 1559 O ALA B 11 -15.129 12.130 -16.909 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.227 13.524 -18.649 1.00 17.72 C ATOM 0 H ALA B 11 -12.284 11.272 -19.622 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.416 12.532 -16.915 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.873 14.183 -18.069 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.295 14.040 -18.879 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.729 13.250 -19.577 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.359 10.309 -17.853 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.606 9.566 -17.544 1.00 25.43 C ATOM 1568 C GLN B 12 -15.227 8.186 -16.990 1.00 22.80 C ATOM 1569 O GLN B 12 -14.312 7.548 -17.472 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.434 9.430 -18.832 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.207 8.112 -18.829 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.513 8.274 -19.610 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.572 7.979 -20.787 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.572 8.732 -18.999 1.00 47.90 N ATOM 0 H GLN B 12 -13.646 9.772 -18.347 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.202 10.095 -16.800 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -17.128 10.266 -18.916 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.777 9.472 -19.701 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.601 7.324 -19.276 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.421 7.808 -17.804 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.523 8.980 -18.011 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -20.448 8.842 -19.510 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.920 7.717 -15.988 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.591 6.387 -15.422 1.00 20.51 C ATOM 1585 C PHE B 13 -16.315 5.309 -16.219 1.00 18.83 C ATOM 1586 O PHE B 13 -17.089 5.594 -17.111 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.066 6.332 -13.977 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.507 6.781 -13.929 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.528 5.893 -14.285 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.823 8.088 -13.535 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.863 6.310 -14.247 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.157 8.505 -13.498 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.176 7.616 -13.853 1.00 18.48 C ATOM 0 H PHE B 13 -16.699 8.200 -15.540 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.514 6.223 -15.469 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.972 5.319 -13.586 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.448 6.975 -13.350 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.286 4.885 -14.589 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.035 8.774 -13.260 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.651 5.625 -14.521 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.400 9.513 -13.195 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.207 7.938 -13.823 1.00 18.48 H new ATOM 1603 N THR B 14 -16.083 4.074 -15.894 1.00 14.89 N ATOM 1604 CA THR B 14 -16.772 2.980 -16.621 1.00 13.37 C ATOM 1605 C THR B 14 -17.317 1.976 -15.611 1.00 11.97 C ATOM 1606 O THR B 14 -16.753 1.772 -14.554 1.00 10.76 O ATOM 1607 CB THR B 14 -15.792 2.276 -17.558 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.431 3.154 -18.614 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.448 1.021 -18.134 1.00 9.24 C ATOM 0 H THR B 14 -15.446 3.774 -15.156 1.00 14.89 H new ATOM 0 HA THR B 14 -17.589 3.397 -17.210 1.00 13.37 H new ATOM 0 HB THR B 14 -14.898 1.993 -17.003 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.801 2.703 -19.214 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.749 0.519 -18.802 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.721 0.347 -17.322 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.343 1.301 -18.689 1.00 9.24 H new ATOM 1617 N THR B 15 -18.408 1.346 -15.928 1.00 13.20 N ATOM 1618 CA THR B 15 -18.990 0.352 -14.991 1.00 12.54 C ATOM 1619 C THR B 15 -18.437 -1.031 -15.327 1.00 14.34 C ATOM 1620 O THR B 15 -18.744 -1.601 -16.355 1.00 17.35 O ATOM 1621 CB THR B 15 -20.512 0.343 -15.134 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.951 1.614 -15.592 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.149 0.037 -13.780 1.00 8.30 C ATOM 0 H THR B 15 -18.924 1.477 -16.798 1.00 13.20 H new ATOM 0 HA THR B 15 -18.728 0.615 -13.966 1.00 12.54 H new ATOM 0 HB THR B 15 -20.806 -0.422 -15.852 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.926 1.609 -15.686 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.234 0.031 -13.882 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.811 -0.939 -13.431 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.857 0.801 -13.059 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.666 -1.189 -9.490 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.506 0.271 -9.237 1.00 16.31 C ATOM 1818 C LEU B 28 -17.963 0.968 -10.486 1.00 14.21 C ATOM 1819 O LEU B 28 -17.519 0.334 -11.423 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.535 0.474 -8.073 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.124 1.482 -7.085 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.478 0.768 -5.778 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.096 2.581 -6.806 1.00 22.01 C ATOM 0 HA LEU B 28 -19.476 0.701 -8.990 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.348 -0.476 -7.572 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.575 0.832 -8.445 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.024 1.926 -7.510 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.898 1.486 -5.073 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.210 -0.015 -5.978 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.579 0.324 -5.351 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.514 3.300 -6.102 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.196 2.138 -6.380 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.845 3.089 -7.737 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.991 2.274 -10.499 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.472 3.027 -11.681 1.00 9.77 C ATOM 1837 C ASN B 29 -16.017 3.422 -11.418 1.00 7.94 C ATOM 1838 O ASN B 29 -15.700 4.009 -10.405 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.310 4.294 -11.938 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.249 4.584 -10.761 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.921 3.699 -10.269 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.330 5.800 -10.294 1.00 12.89 N ATOM 0 H ASN B 29 -18.351 2.854 -9.741 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.538 2.389 -12.562 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.648 5.145 -12.097 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.893 4.169 -12.850 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.957 6.007 -9.517 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.766 6.543 -10.706 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.128 3.097 -12.317 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.691 3.448 -12.112 1.00 13.16 C ATOM 1851 C GLU B 30 -13.261 4.481 -13.157 1.00 12.26 C ATOM 1852 O GLU B 30 -13.889 4.637 -14.185 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.835 2.190 -12.269 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.871 1.380 -10.973 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.419 -0.019 -11.260 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -12.667 -0.837 -11.763 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -14.582 -0.249 -10.971 1.00 38.01 O ATOM 0 H GLU B 30 -15.334 2.603 -13.186 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.559 3.863 -11.113 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.206 1.586 -13.097 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.808 2.464 -12.510 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -11.870 1.310 -10.548 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.496 1.883 -10.235 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.188 5.180 -12.906 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.710 6.194 -13.889 1.00 9.46 C ATOM 1866 C GLN B 31 -10.188 6.097 -14.005 1.00 10.09 C ATOM 1867 O GLN B 31 -9.576 5.173 -13.509 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.100 7.600 -13.419 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.587 8.427 -14.611 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.625 9.594 -14.841 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.448 9.390 -15.062 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.079 10.818 -14.799 1.00 12.39 N ATOM 0 H GLN B 31 -11.621 5.093 -12.062 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.168 6.005 -14.860 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.883 7.537 -12.664 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.245 8.088 -12.951 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.641 7.804 -15.503 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.593 8.801 -14.422 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.067 10.989 -14.613 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.445 11.603 -14.952 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.573 7.040 -14.660 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.092 6.995 -14.810 1.00 10.34 C ATOM 1883 C LEU B 32 -7.503 8.376 -14.501 1.00 9.02 C ATOM 1884 O LEU B 32 -8.224 9.323 -14.255 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.750 6.583 -16.243 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.131 5.117 -16.453 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.065 4.999 -17.659 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.867 4.290 -16.702 1.00 15.89 C ATOM 0 H LEU B 32 -10.031 7.840 -15.098 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.668 6.270 -14.115 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.285 7.215 -16.952 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.685 6.724 -16.430 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.639 4.744 -15.564 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.336 3.954 -17.808 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.966 5.586 -17.480 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.559 5.373 -18.549 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.139 3.245 -16.852 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.357 4.663 -17.590 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.203 4.372 -15.841 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.200 8.504 -14.502 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.581 9.821 -14.199 1.00 8.10 C ATOM 1902 C CYS B 33 -4.088 9.738 -14.511 1.00 6.34 C ATOM 1903 O CYS B 33 -3.527 8.666 -14.612 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.766 10.187 -12.715 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.398 8.775 -11.766 1.00 13.84 S ATOM 0 H CYS B 33 -5.542 7.751 -14.700 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.062 10.588 -14.806 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.814 10.513 -12.297 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.457 11.026 -12.628 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.663 8.599 -10.708 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.438 10.856 -14.664 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.981 10.832 -14.972 1.00 7.08 C ATOM 1913 C TYR B 34 -1.220 11.440 -13.794 1.00 7.71 C ATOM 1914 O TYR B 34 -1.169 12.643 -13.638 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.709 11.670 -16.222 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.857 10.835 -17.477 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.803 9.812 -17.551 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -1.033 11.109 -18.579 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -2.924 9.060 -18.725 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.154 10.358 -19.747 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.097 9.336 -19.820 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.218 8.592 -20.976 1.00 21.14 O ATOM 0 H TYR B 34 -3.851 11.785 -14.589 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.658 9.805 -15.143 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.400 12.512 -16.257 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.703 12.086 -16.174 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.440 9.601 -16.705 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.304 11.903 -18.522 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.655 8.267 -18.786 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.518 10.568 -20.594 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.572 8.912 -21.640 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.633 10.629 -12.961 1.00 9.44 N ATOM 1933 CA VAL B 35 0.113 11.187 -11.797 1.00 10.66 C ATOM 1934 C VAL B 35 1.617 11.029 -12.012 1.00 10.57 C ATOM 1935 O VAL B 35 2.076 10.088 -12.625 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.292 10.450 -10.520 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.261 11.202 -9.306 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.819 10.386 -10.430 1.00 9.86 C ATOM 0 H VAL B 35 -0.636 9.612 -13.033 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.129 12.246 -11.702 1.00 10.66 H new ATOM 0 HB VAL B 35 0.112 9.438 -10.538 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.026 10.680 -8.393 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.348 11.249 -9.371 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.145 12.213 -9.288 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.108 9.861 -9.520 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.225 11.397 -10.410 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.213 9.854 -11.296 1.00 9.86 H new ATOM 1948 N ASP B 36 2.389 11.943 -11.498 1.00 8.58 N ATOM 1949 CA ASP B 36 3.854 11.856 -11.648 1.00 11.48 C ATOM 1950 C ASP B 36 4.470 11.632 -10.269 1.00 12.38 C ATOM 1951 O ASP B 36 5.397 10.866 -10.110 1.00 11.89 O ATOM 1952 CB ASP B 36 4.383 13.161 -12.244 1.00 16.17 C ATOM 1953 CG ASP B 36 3.729 14.347 -11.534 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.635 14.718 -11.927 1.00 15.67 O ATOM 1955 OD2 ASP B 36 4.332 14.864 -10.608 1.00 25.89 O ATOM 0 H ASP B 36 2.057 12.754 -10.975 1.00 8.58 H new ATOM 0 HA ASP B 36 4.116 11.031 -12.311 1.00 11.48 H new ATOM 0 HB2 ASP B 36 5.466 13.210 -12.135 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.168 13.199 -13.312 1.00 16.17 H new ATOM 1960 N LEU B 37 3.946 12.302 -9.271 1.00 13.17 N ATOM 1961 CA LEU B 37 4.480 12.149 -7.886 1.00 18.47 C ATOM 1962 C LEU B 37 5.930 12.617 -7.865 1.00 21.14 C ATOM 1963 O LEU B 37 6.260 13.655 -7.326 1.00 24.24 O ATOM 1964 CB LEU B 37 4.411 10.680 -7.459 1.00 15.81 C ATOM 1965 CG LEU B 37 3.241 9.990 -8.159 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.776 9.077 -9.264 1.00 14.72 C ATOM 1967 CD2 LEU B 37 2.462 9.154 -7.140 1.00 20.01 C ATOM 0 H LEU B 37 3.165 12.953 -9.360 1.00 13.17 H new ATOM 0 HA LEU B 37 3.884 12.746 -7.196 1.00 18.47 H new ATOM 0 HB2 LEU B 37 5.344 10.175 -7.709 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.291 10.612 -6.378 1.00 15.81 H new ATOM 0 HG LEU B 37 2.582 10.741 -8.595 1.00 20.59 H new ATOM 0 HD11 LEU B 37 2.942 8.584 -9.764 1.00 14.72 H new ATOM 0 HD12 LEU B 37 4.334 9.671 -9.988 1.00 14.72 H new ATOM 0 HD13 LEU B 37 4.433 8.325 -8.828 1.00 14.72 H new ATOM 0 HD21 LEU B 37 1.627 8.661 -7.637 1.00 20.01 H new ATOM 0 HD22 LEU B 37 3.121 8.402 -6.706 1.00 20.01 H new ATOM 0 HD23 LEU B 37 2.083 9.803 -6.351 1.00 20.01 H new ATOM 1979 N GLY B 38 6.791 11.859 -8.468 1.00 20.70 N ATOM 1980 CA GLY B 38 8.220 12.230 -8.523 1.00 23.91 C ATOM 1981 C GLY B 38 8.769 11.827 -9.894 1.00 26.50 C ATOM 1982 O GLY B 38 9.940 11.547 -10.052 1.00 31.02 O ATOM 0 H GLY B 38 6.559 10.982 -8.933 1.00 20.70 H new ATOM 0 HA2 GLY B 38 8.340 13.302 -8.366 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.774 11.728 -7.730 1.00 23.91 H new ATOM 1986 N ASN B 39 7.916 11.796 -10.887 1.00 27.64 N ATOM 1987 CA ASN B 39 8.352 11.414 -12.253 1.00 30.27 C ATOM 1988 C ASN B 39 7.835 12.459 -13.244 1.00 26.79 C ATOM 1989 O ASN B 39 6.686 12.440 -13.635 1.00 26.87 O ATOM 1990 CB ASN B 39 7.795 10.031 -12.632 1.00 35.62 C ATOM 1991 CG ASN B 39 7.207 9.330 -11.401 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.782 9.373 -10.331 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.077 8.680 -11.510 1.00 39.63 N ATOM 0 H ASN B 39 6.925 12.023 -10.802 1.00 27.64 H new ATOM 0 HA ASN B 39 9.441 11.369 -12.282 1.00 30.27 H new ATOM 0 HB2 ASN B 39 7.026 10.140 -13.397 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.588 9.419 -13.062 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.679 8.210 -10.697 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.594 8.644 -12.408 1.00 39.63 H new ATOM 2000 N GLU B 40 8.679 13.379 -13.627 1.00 25.15 N ATOM 2001 CA GLU B 40 8.275 14.463 -14.580 1.00 23.81 C ATOM 2002 C GLU B 40 7.211 13.967 -15.561 1.00 21.12 C ATOM 2003 O GLU B 40 6.304 14.688 -15.926 1.00 19.86 O ATOM 2004 CB GLU B 40 9.503 14.936 -15.359 1.00 27.22 C ATOM 2005 CG GLU B 40 10.520 15.542 -14.390 1.00 34.87 C ATOM 2006 CD GLU B 40 10.747 17.014 -14.739 1.00 38.97 C ATOM 2007 OE1 GLU B 40 9.871 17.598 -15.356 1.00 39.54 O ATOM 2008 OE2 GLU B 40 11.792 17.532 -14.384 1.00 42.34 O ATOM 0 H GLU B 40 9.649 13.429 -13.316 1.00 25.15 H new ATOM 0 HA GLU B 40 7.854 15.288 -14.005 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.950 14.100 -15.896 1.00 27.22 H new ATOM 0 HB3 GLU B 40 9.211 15.675 -16.105 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.159 15.452 -13.365 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.461 14.995 -14.446 1.00 34.87 H new ATOM 2015 N HIS B 41 7.313 12.746 -15.983 1.00 4.81 N ATOM 2016 CA HIS B 41 6.303 12.198 -16.937 1.00 4.29 C ATOM 2017 C HIS B 41 5.058 11.773 -16.156 1.00 3.21 C ATOM 2018 O HIS B 41 5.156 11.377 -15.013 1.00 2.35 O ATOM 2019 CB HIS B 41 6.889 10.984 -17.663 1.00 5.21 C ATOM 2020 CG HIS B 41 8.168 11.375 -18.352 1.00 5.09 C ATOM 2021 ND1 HIS B 41 9.374 11.469 -17.674 1.00 5.64 N ATOM 2022 CD2 HIS B 41 8.446 11.695 -19.657 1.00 5.69 C ATOM 2023 CE1 HIS B 41 10.313 11.831 -18.567 1.00 6.98 C ATOM 2024 NE2 HIS B 41 9.801 11.983 -19.791 1.00 6.90 N ATOM 0 H HIS B 41 8.051 12.096 -15.712 1.00 4.81 H new ATOM 0 HA HIS B 41 6.037 12.961 -17.669 1.00 4.29 H new ATOM 0 HB2 HIS B 41 7.079 10.180 -16.952 1.00 5.21 H new ATOM 0 HB3 HIS B 41 6.173 10.603 -18.392 1.00 5.21 H new ATOM 0 HD2 HIS B 41 7.723 11.720 -20.459 1.00 5.69 H new ATOM 0 HE1 HIS B 41 11.355 11.981 -18.323 1.00 6.98 H new ATOM 0 HE2 HIS B 41 10.296 12.252 -20.641 1.00 6.90 H new ATOM 2032 N PRO B 42 3.919 11.869 -16.792 1.00 15.11 N ATOM 2033 CA PRO B 42 2.640 11.501 -16.165 1.00 16.08 C ATOM 2034 C PRO B 42 2.464 9.989 -16.166 1.00 17.92 C ATOM 2035 O PRO B 42 2.927 9.301 -17.054 1.00 17.13 O ATOM 2036 CB PRO B 42 1.591 12.132 -17.072 1.00 16.41 C ATOM 2037 CG PRO B 42 2.269 12.329 -18.446 1.00 13.79 C ATOM 2038 CD PRO B 42 3.792 12.343 -18.186 1.00 16.28 C ATOM 0 HA PRO B 42 2.574 11.834 -15.129 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.715 11.489 -17.159 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.249 13.084 -16.667 1.00 16.41 H new ATOM 0 HG2 PRO B 42 2.000 11.524 -19.130 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.946 13.262 -18.908 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.322 11.690 -18.880 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.209 13.343 -18.308 1.00 16.28 H new ATOM 2046 N VAL B 43 1.782 9.466 -15.195 1.00 16.29 N ATOM 2047 CA VAL B 43 1.563 8.007 -15.169 1.00 14.28 C ATOM 2048 C VAL B 43 0.068 7.728 -15.173 1.00 9.00 C ATOM 2049 O VAL B 43 -0.660 8.131 -14.288 1.00 7.99 O ATOM 2050 CB VAL B 43 2.222 7.402 -13.926 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.565 8.090 -13.674 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.317 7.587 -12.701 1.00 20.57 C ATOM 0 H VAL B 43 1.369 9.986 -14.421 1.00 16.29 H new ATOM 0 HA VAL B 43 2.013 7.550 -16.050 1.00 14.28 H new ATOM 0 HB VAL B 43 2.379 6.336 -14.093 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.034 7.659 -12.789 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.216 7.945 -14.536 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.404 9.156 -13.516 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.798 7.152 -11.825 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.147 8.650 -12.532 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.363 7.090 -12.875 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.395 7.042 -16.170 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.837 6.737 -16.243 1.00 11.55 C ATOM 2064 C LEU B 44 -2.176 5.674 -15.202 1.00 10.61 C ATOM 2065 O LEU B 44 -1.767 4.535 -15.300 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.171 6.232 -17.639 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.640 5.828 -17.690 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.502 6.930 -17.072 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.056 5.608 -19.147 1.00 20.21 C ATOM 0 H LEU B 44 0.167 6.679 -16.940 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.422 7.634 -16.040 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.970 7.008 -18.377 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.539 5.381 -17.891 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.781 4.906 -17.127 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.551 6.636 -17.111 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.207 7.084 -16.034 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.364 7.856 -17.630 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.106 5.319 -19.186 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.912 6.530 -19.710 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.446 4.818 -19.584 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.913 6.050 -14.199 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.278 5.080 -13.133 1.00 9.29 C ATOM 2083 C VAL B 45 -4.792 4.907 -13.101 1.00 9.95 C ATOM 2084 O VAL B 45 -5.529 5.669 -13.694 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.788 5.611 -11.789 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.528 4.915 -10.639 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.286 5.346 -11.662 1.00 10.20 C ATOM 0 H VAL B 45 -3.281 6.993 -14.070 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.814 4.115 -13.334 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.984 6.682 -11.736 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.168 5.304 -9.687 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.598 5.104 -10.727 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.345 3.842 -10.685 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -0.930 5.723 -10.703 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.099 4.274 -11.722 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -0.758 5.852 -12.470 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.264 3.911 -12.408 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.730 3.698 -12.337 1.00 12.81 C ATOM 2099 C LYS B 46 -7.278 4.340 -11.061 1.00 13.35 C ATOM 2100 O LYS B 46 -6.668 4.282 -10.012 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.037 2.199 -12.335 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.622 1.589 -13.677 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.822 1.571 -14.625 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.394 0.153 -14.701 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.490 -0.704 -15.520 1.00 36.74 N ATOM 0 H LYS B 46 -4.699 3.238 -11.890 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.204 4.157 -13.205 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.503 1.709 -11.521 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.101 2.035 -12.163 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -5.808 2.167 -14.115 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -6.248 0.576 -13.528 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.586 2.264 -14.274 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -7.520 1.906 -15.617 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.498 -0.263 -13.699 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -9.391 0.174 -15.142 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.003 -1.554 -15.828 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.169 -0.172 -16.354 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.667 -0.984 -14.950 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.424 4.956 -11.146 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.017 5.607 -9.949 1.00 16.93 C ATOM 2121 C ILE B 47 -10.402 5.004 -9.685 1.00 16.52 C ATOM 2122 O ILE B 47 -10.918 4.243 -10.481 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.121 7.120 -10.203 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.061 7.879 -8.876 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.435 7.450 -10.913 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.822 8.776 -8.856 1.00 18.26 C ATOM 0 H ILE B 47 -8.977 5.036 -11.999 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.390 5.440 -9.073 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.285 7.422 -10.834 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.961 8.481 -8.748 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.027 7.176 -8.044 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.495 8.524 -11.086 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.474 6.926 -11.868 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.273 7.135 -10.292 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.779 9.317 -7.911 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.927 8.163 -8.964 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.875 9.488 -9.679 1.00 18.26 H new ATOM 2138 N THR B 48 -11.009 5.334 -8.580 1.00 16.86 N ATOM 2139 CA THR B 48 -12.355 4.774 -8.280 1.00 16.59 C ATOM 2140 C THR B 48 -13.421 5.853 -8.481 1.00 19.04 C ATOM 2141 O THR B 48 -13.158 7.032 -8.358 1.00 22.56 O ATOM 2142 CB THR B 48 -12.393 4.285 -6.832 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.092 3.867 -6.441 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.367 3.112 -6.714 1.00 16.02 C ATOM 0 H THR B 48 -10.632 5.966 -7.873 1.00 16.86 H new ATOM 0 HA THR B 48 -12.555 3.940 -8.953 1.00 16.59 H new ATOM 0 HB THR B 48 -12.724 5.095 -6.182 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.159 3.275 -5.663 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.394 2.764 -5.681 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.364 3.435 -7.014 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.039 2.300 -7.362 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.623 5.449 -8.790 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.722 6.429 -9.007 1.00 18.82 C ATOM 2154 C LEU B 49 -16.983 5.916 -8.304 1.00 20.06 C ATOM 2155 O LEU B 49 -17.628 4.995 -8.765 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.991 6.558 -10.514 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.009 8.027 -10.937 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.322 8.674 -10.485 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.827 8.768 -10.306 1.00 14.50 C ATOM 0 H LEU B 49 -14.892 4.471 -8.902 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.444 7.403 -8.604 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.223 6.023 -11.072 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.946 6.092 -10.759 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.928 8.087 -12.022 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.334 9.721 -10.787 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.162 8.154 -10.946 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.406 8.608 -9.400 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.848 9.814 -10.613 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.897 8.707 -9.220 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.894 8.312 -10.636 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.335 6.494 -7.188 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.548 6.026 -6.458 1.00 27.04 C ATOM 2173 C ASP B 50 -19.802 6.404 -7.248 1.00 27.73 C ATOM 2174 O ASP B 50 -19.863 7.443 -7.875 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.600 6.683 -5.077 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.290 8.175 -5.209 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.158 8.499 -5.526 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -19.190 8.969 -4.989 1.00 33.99 O ATOM 0 H ASP B 50 -16.836 7.269 -6.751 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.504 4.943 -6.345 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -19.586 6.544 -4.633 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -17.880 6.209 -4.410 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.805 5.568 -7.222 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.055 5.882 -7.970 1.00 34.22 C ATOM 2185 C GLU B 51 -22.558 7.265 -7.554 1.00 34.98 C ATOM 2186 O GLU B 51 -22.628 7.584 -6.384 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.122 4.833 -7.649 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.552 4.129 -8.938 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.960 3.556 -8.763 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.533 3.758 -7.705 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.440 2.924 -9.690 1.00 53.83 O ATOM 0 H GLU B 51 -20.812 4.683 -6.716 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.851 5.873 -9.041 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.729 4.105 -6.939 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.982 5.307 -7.177 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.535 4.831 -9.771 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -22.851 3.330 -9.180 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.906 8.090 -8.502 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.401 9.452 -8.158 1.00 34.93 C ATOM 2200 C GLY B 52 -22.279 10.469 -8.371 1.00 36.10 C ATOM 2201 O GLY B 52 -22.512 11.585 -8.791 1.00 35.97 O ATOM 0 H GLY B 52 -22.869 7.880 -9.499 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.260 9.706 -8.779 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.738 9.477 -7.122 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.062 10.093 -8.085 1.00 36.52 N ATOM 2206 CA GLN B 53 -19.928 11.041 -8.273 1.00 35.40 C ATOM 2207 C GLN B 53 -19.541 11.082 -9.756 1.00 31.02 C ATOM 2208 O GLN B 53 -19.496 10.058 -10.408 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.728 10.571 -7.447 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.637 11.399 -6.163 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.271 11.183 -5.510 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.255 11.207 -6.176 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.203 10.970 -4.224 1.00 54.76 N ATOM 0 H GLN B 53 -20.805 9.172 -7.730 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.227 12.037 -7.946 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.832 9.514 -7.204 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.811 10.676 -8.026 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -18.781 12.456 -6.389 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.431 11.109 -5.474 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.056 10.950 -3.665 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.297 10.824 -3.778 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.272 12.267 -10.247 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.884 12.470 -11.653 1.00 23.44 C ATOM 2224 C PRO B 54 -17.414 12.098 -11.859 1.00 20.14 C ATOM 2225 O PRO B 54 -16.540 12.586 -11.171 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.102 13.966 -11.876 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.054 14.623 -10.481 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.329 13.509 -9.454 1.00 28.37 C ATOM 0 HA PRO B 54 -19.455 11.854 -12.348 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.331 14.379 -12.527 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.061 14.151 -12.360 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.081 15.081 -10.303 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.799 15.415 -10.401 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.585 13.508 -8.658 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.302 13.635 -8.980 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.136 11.233 -12.798 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.728 10.827 -13.046 1.00 15.58 C ATOM 2238 C ALA B 55 -14.805 12.043 -12.965 1.00 16.41 C ATOM 2239 O ALA B 55 -15.196 13.155 -13.257 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.623 10.210 -14.437 1.00 13.98 C ATOM 0 H ALA B 55 -17.827 10.791 -13.404 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.428 10.102 -12.290 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.592 9.910 -14.625 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.272 9.336 -14.497 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.930 10.942 -15.184 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.579 11.832 -12.575 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.620 12.966 -12.479 1.00 14.61 C ATOM 2248 C TYR B 56 -12.622 13.731 -13.802 1.00 15.51 C ATOM 2249 O TYR B 56 -11.989 13.338 -14.759 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.212 12.428 -12.189 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.212 11.723 -10.847 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.670 10.403 -10.754 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.772 12.393 -9.700 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -11.687 9.754 -9.516 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.787 11.740 -8.461 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.244 10.421 -8.370 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.260 9.780 -7.148 1.00 12.03 O ATOM 0 H TYR B 56 -13.200 10.921 -12.318 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.916 13.634 -11.670 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.905 11.738 -12.975 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.492 13.246 -12.183 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.010 9.886 -11.639 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -10.421 13.412 -9.770 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -12.043 8.737 -9.445 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -10.446 12.255 -7.575 1.00 11.47 H new ATOM 0 HH TYR B 56 -10.918 10.385 -6.457 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.331 14.824 -13.861 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.373 15.618 -15.120 1.00 14.95 C ATOM 2269 C ALA B 57 -11.942 15.894 -15.593 1.00 15.46 C ATOM 2270 O ALA B 57 -10.993 15.533 -14.926 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.090 16.945 -14.858 1.00 14.98 C ATOM 0 H ALA B 57 -13.883 15.202 -13.091 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.909 15.061 -15.888 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.122 17.529 -15.778 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.106 16.748 -14.517 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.552 17.504 -14.092 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.831 16.528 -16.732 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.526 16.871 -17.322 1.00 16.55 C ATOM 2279 C PRO B 58 -9.918 18.079 -16.603 1.00 16.75 C ATOM 2280 O PRO B 58 -10.575 19.077 -16.382 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.867 17.212 -18.776 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.367 17.592 -18.794 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.993 16.965 -17.535 1.00 13.96 C ATOM 0 HA PRO B 58 -9.793 16.069 -17.240 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.253 18.037 -19.136 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.674 16.362 -19.430 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.493 18.675 -18.791 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.851 17.217 -19.696 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.604 17.687 -16.992 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.641 16.126 -17.788 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.670 17.995 -16.231 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.027 19.138 -15.524 1.00 15.08 C ATOM 2293 C GLY B 59 -6.848 18.631 -14.691 1.00 14.96 C ATOM 2294 O GLY B 59 -6.610 17.445 -14.597 1.00 13.79 O ATOM 0 H GLY B 59 -8.069 17.186 -16.386 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.683 19.878 -16.247 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.753 19.635 -14.880 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.111 19.521 -14.081 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.956 19.090 -13.246 1.00 14.53 C ATOM 2300 C LEU B 60 -5.484 18.480 -11.950 1.00 14.15 C ATOM 2301 O LEU B 60 -6.480 18.921 -11.414 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.089 20.307 -12.916 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.847 20.315 -13.806 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.157 21.050 -15.112 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.705 21.025 -13.076 1.00 15.01 C ATOM 0 H LEU B 60 -6.261 20.529 -14.126 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.360 18.355 -13.787 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.660 21.223 -13.065 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.795 20.282 -11.867 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.553 19.290 -14.031 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.270 21.055 -15.746 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -3.971 20.543 -15.630 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.451 22.076 -14.891 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.817 21.032 -13.709 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.999 22.050 -12.851 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.484 20.499 -12.147 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.841 17.465 -11.439 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.344 16.852 -10.187 1.00 9.57 C ATOM 2319 C TYR B 61 -4.255 16.749 -9.142 1.00 11.76 C ATOM 2320 O TYR B 61 -3.075 16.821 -9.419 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.897 15.463 -10.469 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.314 15.620 -10.927 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.579 16.081 -12.217 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.363 15.338 -10.046 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.898 16.259 -12.632 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.682 15.518 -10.460 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.947 15.978 -11.751 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.251 16.153 -12.161 1.00 14.61 O ATOM 0 H TYR B 61 -4.000 17.041 -11.832 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.134 17.496 -9.802 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.302 14.962 -11.233 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.851 14.844 -9.573 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.765 16.299 -12.892 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.152 14.982 -9.048 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.109 16.613 -13.630 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.496 15.302 -9.784 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.300 16.080 -13.137 1.00 14.61 H new ATOM 2338 N THR B 62 -4.675 16.553 -7.935 1.00 12.22 N ATOM 2339 CA THR B 62 -3.736 16.407 -6.814 1.00 14.26 C ATOM 2340 C THR B 62 -4.331 15.373 -5.886 1.00 15.40 C ATOM 2341 O THR B 62 -5.442 15.513 -5.412 1.00 16.24 O ATOM 2342 CB THR B 62 -3.582 17.731 -6.083 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.811 18.072 -5.456 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.195 18.814 -7.086 1.00 11.61 C ATOM 0 H THR B 62 -5.659 16.487 -7.675 1.00 12.22 H new ATOM 0 HA THR B 62 -2.750 16.104 -7.166 1.00 14.26 H new ATOM 0 HB THR B 62 -2.805 17.645 -5.323 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.712 18.925 -4.983 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.083 19.766 -6.568 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.252 18.548 -7.563 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.973 18.903 -7.844 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.629 14.325 -5.643 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.190 13.279 -4.767 1.00 15.17 C ATOM 2354 C VAL B 63 -4.647 13.917 -3.462 1.00 14.24 C ATOM 2355 O VAL B 63 -4.312 15.044 -3.153 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.147 12.207 -4.497 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -3.847 10.959 -3.971 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.415 11.869 -5.802 1.00 18.64 C ATOM 0 H VAL B 63 -2.694 14.142 -6.008 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.042 12.809 -5.257 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.428 12.566 -3.761 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.108 10.183 -3.774 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.375 11.200 -3.048 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.559 10.601 -4.714 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.666 11.100 -5.611 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.132 11.503 -6.537 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -1.926 12.764 -6.187 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.415 13.206 -2.701 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.914 13.757 -1.413 1.00 10.78 C ATOM 2370 C HIS B 64 -5.735 12.697 -0.328 1.00 14.19 C ATOM 2371 O HIS B 64 -6.151 11.564 -0.485 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.401 14.106 -1.547 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.778 15.156 -0.532 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.219 15.200 0.736 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.672 16.198 -0.578 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.776 16.229 1.393 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.669 16.874 0.639 1.00 20.65 N ATOM 0 H HIS B 64 -5.724 12.257 -2.913 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.358 14.657 -1.151 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.608 14.470 -2.553 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.007 13.212 -1.400 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.285 16.454 -1.430 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.531 16.502 2.409 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.228 17.687 0.898 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.125 13.043 0.770 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.933 12.042 1.849 1.00 14.44 C ATOM 2387 C LEU B 65 -6.266 11.759 2.547 1.00 12.66 C ATOM 2388 O LEU B 65 -6.325 10.994 3.489 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.923 12.566 2.868 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.584 13.638 3.714 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.864 13.080 5.110 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.664 14.851 3.817 1.00 19.03 C ATOM 0 H LEU B 65 -4.753 13.973 0.965 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.557 11.118 1.409 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.570 11.752 3.501 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.051 12.974 2.358 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.523 13.941 3.250 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -5.339 13.848 5.720 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -5.526 12.218 5.031 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.926 12.776 5.575 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.142 15.619 4.425 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.722 14.555 4.280 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.470 15.246 2.820 1.00 19.03 H new ATOM 2404 N SER B 66 -7.343 12.348 2.094 1.00 13.51 N ATOM 2405 CA SER B 66 -8.648 12.072 2.744 1.00 10.39 C ATOM 2406 C SER B 66 -8.884 10.566 2.690 1.00 8.56 C ATOM 2407 O SER B 66 -9.680 10.018 3.427 1.00 11.70 O ATOM 2408 CB SER B 66 -9.764 12.800 1.994 1.00 12.88 C ATOM 2409 OG SER B 66 -11.023 12.384 2.507 1.00 14.72 O ATOM 0 H SER B 66 -7.371 13.000 1.310 1.00 13.51 H new ATOM 0 HA SER B 66 -8.643 12.420 3.777 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.651 13.878 2.107 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.703 12.583 0.928 1.00 12.88 H new ATOM 0 HG SER B 66 -11.741 12.850 2.030 1.00 14.72 H new ATOM 2415 N SER B 67 -8.188 9.896 1.811 1.00 7.98 N ATOM 2416 CA SER B 67 -8.354 8.426 1.690 1.00 8.20 C ATOM 2417 C SER B 67 -7.197 7.703 2.394 1.00 11.02 C ATOM 2418 O SER B 67 -7.209 6.496 2.533 1.00 11.45 O ATOM 2419 CB SER B 67 -8.370 8.037 0.216 1.00 8.01 C ATOM 2420 OG SER B 67 -9.586 7.362 -0.077 1.00 11.22 O ATOM 0 H SER B 67 -7.510 10.309 1.171 1.00 7.98 H new ATOM 0 HA SER B 67 -9.294 8.135 2.159 1.00 8.20 H new ATOM 0 HB2 SER B 67 -8.274 8.926 -0.408 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.520 7.394 -0.012 1.00 8.01 H new ATOM 0 HG SER B 67 -9.393 6.544 -0.580 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.195 8.421 2.837 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.052 7.751 3.521 1.00 11.79 C ATOM 2428 C PHE B 68 -5.490 7.341 4.927 1.00 12.69 C ATOM 2429 O PHE B 68 -6.391 7.922 5.499 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.857 8.711 3.619 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.499 9.256 2.251 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.171 8.813 1.101 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.517 10.248 2.144 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.856 9.361 -0.147 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.207 10.798 0.896 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.877 10.355 -0.248 1.00 11.87 C ATOM 0 H PHE B 68 -6.121 9.435 2.754 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.752 6.873 2.949 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.098 9.533 4.293 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.999 8.191 4.045 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.931 8.050 1.180 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.998 10.589 3.027 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.369 9.016 -1.033 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.450 11.565 0.816 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.638 10.781 -1.211 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.865 6.348 5.489 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.254 5.908 6.859 1.00 15.38 C ATOM 2448 C LYS B 69 -4.089 5.165 7.511 1.00 15.02 C ATOM 2449 O LYS B 69 -3.057 4.952 6.907 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.473 4.985 6.779 1.00 16.04 C ATOM 2451 CG LYS B 69 -6.258 3.934 5.687 1.00 20.35 C ATOM 2452 CD LYS B 69 -7.456 2.982 5.654 1.00 21.35 C ATOM 2453 CE LYS B 69 -8.648 3.682 4.997 1.00 30.24 C ATOM 2454 NZ LYS B 69 -9.699 3.942 6.021 1.00 32.70 N ATOM 0 H LYS B 69 -4.103 5.821 5.062 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.504 6.783 7.459 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.634 4.496 7.740 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.368 5.568 6.564 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.139 4.419 4.718 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -5.341 3.376 5.879 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -7.201 2.079 5.100 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.716 2.672 6.666 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -8.328 4.620 4.543 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -9.051 3.062 4.196 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.509 4.418 5.574 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.012 3.040 6.434 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -9.311 4.550 6.770 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.250 4.769 8.742 1.00 13.65 N ATOM 2469 CA VAL B 70 -3.154 4.039 9.439 1.00 13.49 C ATOM 2470 C VAL B 70 -3.561 2.577 9.632 1.00 11.85 C ATOM 2471 O VAL B 70 -4.505 2.273 10.334 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.875 4.670 10.808 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.364 4.720 11.037 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.444 6.094 10.872 1.00 15.63 C ATOM 0 H VAL B 70 -5.093 4.919 9.296 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.251 4.099 8.832 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.354 4.067 11.579 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.158 5.168 12.009 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.958 3.709 11.010 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.897 5.319 10.255 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.236 6.525 11.851 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.979 6.707 10.100 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.522 6.063 10.711 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.858 1.669 9.012 1.00 11.15 N ATOM 2485 CA GLY B 71 -3.206 0.227 9.159 1.00 11.07 C ATOM 2486 C GLY B 71 -2.968 -0.213 10.606 1.00 12.15 C ATOM 2487 O GLY B 71 -2.549 0.566 11.439 1.00 12.70 O ATOM 0 H GLY B 71 -2.058 1.863 8.410 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -4.248 0.064 8.885 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.601 -0.375 8.481 1.00 11.07 H new ATOM 2491 N GLN B 72 -3.230 -1.455 10.912 1.00 15.78 N ATOM 2492 CA GLN B 72 -3.017 -1.943 12.300 1.00 19.42 C ATOM 2493 C GLN B 72 -1.582 -2.442 12.445 1.00 16.97 C ATOM 2494 O GLN B 72 -1.325 -3.469 13.043 1.00 20.46 O ATOM 2495 CB GLN B 72 -3.993 -3.083 12.598 1.00 22.64 C ATOM 2496 CG GLN B 72 -5.425 -2.543 12.585 1.00 25.29 C ATOM 2497 CD GLN B 72 -5.511 -1.301 13.475 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -5.936 -1.382 14.611 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -5.123 -0.146 13.005 1.00 25.15 N ATOM 0 H GLN B 72 -3.583 -2.153 10.257 1.00 15.78 H new ATOM 0 HA GLN B 72 -3.191 -1.129 13.004 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -3.884 -3.873 11.855 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -3.768 -3.525 13.569 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -5.722 -2.294 11.566 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -6.116 -3.307 12.941 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -4.766 -0.077 12.052 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -5.177 0.687 13.591 1.00 25.15 H new ATOM 2508 N PHE B 73 -0.646 -1.720 11.900 1.00 14.56 N ATOM 2509 CA PHE B 73 0.779 -2.142 11.999 1.00 14.60 C ATOM 2510 C PHE B 73 1.676 -0.904 12.038 1.00 15.63 C ATOM 2511 O PHE B 73 2.772 -0.903 11.512 1.00 17.80 O ATOM 2512 CB PHE B 73 1.139 -2.999 10.784 1.00 12.63 C ATOM 2513 CG PHE B 73 0.018 -3.973 10.507 1.00 14.99 C ATOM 2514 CD1 PHE B 73 0.012 -5.227 11.128 1.00 19.79 C ATOM 2515 CD2 PHE B 73 -1.015 -3.619 9.631 1.00 16.27 C ATOM 2516 CE1 PHE B 73 -1.028 -6.129 10.873 1.00 18.68 C ATOM 2517 CE2 PHE B 73 -2.055 -4.521 9.376 1.00 20.44 C ATOM 2518 CZ PHE B 73 -2.062 -5.776 9.997 1.00 17.88 C ATOM 0 H PHE B 73 -0.806 -0.852 11.388 1.00 14.56 H new ATOM 0 HA PHE B 73 0.926 -2.723 12.910 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.307 -2.364 9.914 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.068 -3.539 10.968 1.00 12.63 H new ATOM 0 HD1 PHE B 73 0.809 -5.499 11.804 1.00 19.79 H new ATOM 0 HD2 PHE B 73 -1.010 -2.651 9.152 1.00 16.27 H new ATOM 0 HE1 PHE B 73 -1.033 -7.097 11.352 1.00 18.68 H new ATOM 0 HE2 PHE B 73 -2.852 -4.249 8.700 1.00 20.44 H new ATOM 0 HZ PHE B 73 -2.865 -6.471 9.800 1.00 17.88 H new ATOM 2528 N GLY B 74 1.220 0.153 12.654 1.00 13.82 N ATOM 2529 CA GLY B 74 2.048 1.390 12.722 1.00 13.44 C ATOM 2530 C GLY B 74 2.581 1.718 11.328 1.00 10.42 C ATOM 2531 O GLY B 74 3.773 1.802 11.112 1.00 13.62 O ATOM 0 H GLY B 74 0.311 0.213 13.112 1.00 13.82 H new ATOM 0 HA2 GLY B 74 1.452 2.220 13.101 1.00 13.44 H new ATOM 0 HA3 GLY B 74 2.876 1.249 13.417 1.00 13.44 H new ATOM 2535 N SER B 75 1.706 1.899 10.377 1.00 12.64 N ATOM 2536 CA SER B 75 2.168 2.215 8.995 1.00 12.47 C ATOM 2537 C SER B 75 1.065 2.954 8.231 1.00 12.47 C ATOM 2538 O SER B 75 -0.093 2.590 8.283 1.00 11.32 O ATOM 2539 CB SER B 75 2.506 0.914 8.267 1.00 11.21 C ATOM 2540 OG SER B 75 3.812 0.494 8.640 1.00 18.27 O ATOM 0 H SER B 75 0.695 1.842 10.496 1.00 12.64 H new ATOM 0 HA SER B 75 3.052 2.850 9.048 1.00 12.47 H new ATOM 0 HB2 SER B 75 1.778 0.143 8.518 1.00 11.21 H new ATOM 0 HB3 SER B 75 2.453 1.063 7.188 1.00 11.21 H new ATOM 0 HG SER B 75 4.088 0.967 9.453 1.00 18.27 H new ATOM 2546 N LEU B 76 1.421 3.986 7.513 1.00 12.43 N ATOM 2547 CA LEU B 76 0.403 4.748 6.734 1.00 12.18 C ATOM 2548 C LEU B 76 -0.027 3.918 5.523 1.00 12.07 C ATOM 2549 O LEU B 76 0.627 2.961 5.160 1.00 9.82 O ATOM 2550 CB LEU B 76 1.016 6.066 6.258 1.00 11.99 C ATOM 2551 CG LEU B 76 0.059 7.219 6.562 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.365 7.783 7.951 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.240 8.318 5.512 1.00 7.80 C ATOM 0 H LEU B 76 2.376 4.335 7.433 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.464 4.955 7.361 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.972 6.234 6.754 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.216 6.019 5.188 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.969 6.857 6.537 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.317 8.605 8.168 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.238 6.999 8.698 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.392 8.147 7.978 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.441 9.142 5.726 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.268 8.681 5.538 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.023 7.915 4.523 1.00 7.80 H new ATOM 2565 N MET B 77 -1.116 4.272 4.889 1.00 14.08 N ATOM 2566 CA MET B 77 -1.569 3.488 3.704 1.00 14.12 C ATOM 2567 C MET B 77 -2.641 4.265 2.938 1.00 11.37 C ATOM 2568 O MET B 77 -3.765 4.397 3.380 1.00 11.44 O ATOM 2569 CB MET B 77 -2.156 2.153 4.167 1.00 16.48 C ATOM 2570 CG MET B 77 -1.027 1.158 4.436 1.00 24.75 C ATOM 2571 SD MET B 77 -1.569 -0.508 3.981 1.00 35.11 S ATOM 2572 CE MET B 77 -0.047 -1.022 3.146 1.00 33.86 C ATOM 0 H MET B 77 -1.707 5.065 5.140 1.00 14.08 H new ATOM 0 HA MET B 77 -0.714 3.312 3.051 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.748 2.299 5.071 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.829 1.757 3.406 1.00 16.48 H new ATOM 0 HG2 MET B 77 -0.141 1.433 3.863 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.747 1.186 5.489 1.00 24.75 H new ATOM 0 HE1 MET B 77 -0.161 -2.042 2.778 1.00 33.86 H new ATOM 0 HE2 MET B 77 0.152 -0.354 2.308 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.785 -0.981 3.849 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.299 4.773 1.788 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.292 5.538 0.977 1.00 11.62 C ATOM 2584 C ILE B 78 -4.638 4.808 0.994 1.00 11.45 C ATOM 2585 O ILE B 78 -5.689 5.418 0.987 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.772 5.673 -0.467 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -1.912 6.934 -0.575 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -3.937 5.769 -1.459 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.676 6.637 -1.427 1.00 13.67 C ATOM 0 H ILE B 78 -1.372 4.692 1.371 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.429 6.533 1.400 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.181 4.790 -0.710 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.489 7.743 -1.022 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.611 7.268 0.418 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.546 5.864 -2.472 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.549 4.870 -1.389 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.546 6.642 -1.222 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.063 7.535 -1.504 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.096 5.841 -0.961 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -0.988 6.324 -2.423 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.610 3.510 1.011 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.884 2.733 1.021 1.00 14.79 C ATOM 2603 C ASP B 79 -6.859 3.345 0.013 1.00 15.20 C ATOM 2604 O ASP B 79 -7.970 3.708 0.345 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.498 2.793 2.414 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.134 1.444 2.754 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -8.252 1.214 2.324 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -6.492 0.665 3.439 1.00 24.06 O ATOM 0 H ASP B 79 -3.759 2.947 1.018 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.683 1.696 0.752 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.732 3.041 3.149 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.249 3.582 2.458 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.442 3.466 -1.212 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.326 4.062 -2.256 1.00 17.14 C ATOM 2615 C ARG B 80 -7.321 5.579 -2.101 1.00 14.98 C ATOM 2616 O ARG B 80 -8.209 6.161 -1.515 1.00 16.47 O ATOM 2617 CB ARG B 80 -8.753 3.530 -2.099 1.00 17.78 C ATOM 2618 CG ARG B 80 -9.456 3.544 -3.458 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.330 4.794 -3.570 1.00 28.43 C ATOM 2620 NE ARG B 80 -11.361 4.781 -2.493 1.00 33.10 N ATOM 2621 CZ ARG B 80 -12.020 5.871 -2.203 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -11.783 6.976 -2.857 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -12.919 5.855 -1.257 1.00 35.04 N ATOM 0 H ARG B 80 -5.521 3.177 -1.541 1.00 17.08 H new ATOM 0 HA ARG B 80 -6.958 3.791 -3.245 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -8.732 2.516 -1.699 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.305 4.143 -1.386 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -8.719 3.530 -4.261 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.067 2.649 -3.572 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -9.714 5.689 -3.487 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.811 4.827 -4.548 1.00 28.43 H new ATOM 0 HE ARG B 80 -11.552 3.919 -1.982 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.081 6.990 -3.597 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -12.300 7.825 -2.628 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -13.106 4.992 -0.746 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -13.435 6.705 -1.029 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.309 6.211 -2.615 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.184 7.685 -2.505 1.00 11.27 C ATOM 2639 C LEU B 81 -7.420 8.403 -3.061 1.00 15.61 C ATOM 2640 O LEU B 81 -8.057 7.950 -3.991 1.00 18.56 O ATOM 2641 CB LEU B 81 -4.952 8.124 -3.285 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.258 8.106 -4.781 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -3.982 8.428 -5.563 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -5.760 6.711 -5.181 1.00 18.72 C ATOM 0 H LEU B 81 -5.546 5.757 -3.118 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.094 7.949 -1.451 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.652 9.126 -2.977 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.116 7.460 -3.067 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.023 8.849 -5.006 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.197 8.416 -6.631 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.619 9.415 -5.277 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.219 7.682 -5.338 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -5.979 6.695 -6.249 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -4.992 5.970 -4.957 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -6.665 6.476 -4.621 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.735 9.542 -2.508 1.00 13.37 N ATOM 2657 CA ARG B 82 -8.898 10.335 -3.003 1.00 12.72 C ATOM 2658 C ARG B 82 -8.362 11.442 -3.914 1.00 13.33 C ATOM 2659 O ARG B 82 -7.805 12.420 -3.456 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.645 10.957 -1.820 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.142 10.673 -1.956 1.00 16.22 C ATOM 2662 CD ARG B 82 -11.942 11.757 -1.230 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.515 12.708 -2.225 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.490 13.507 -1.882 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.982 13.463 -0.672 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -13.979 14.349 -2.751 1.00 16.89 N ATOM 0 H ARG B 82 -7.232 9.962 -1.726 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.588 9.692 -3.550 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.270 10.546 -0.883 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.469 12.032 -1.790 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.422 10.645 -3.009 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.375 9.694 -1.538 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.741 11.302 -0.645 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.299 12.291 -0.531 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.145 12.735 -3.175 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.605 12.803 0.008 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.743 14.088 -0.408 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -13.600 14.383 -3.697 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.740 14.973 -2.484 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.494 11.280 -5.201 1.00 13.53 N ATOM 2681 CA LEU B 83 -7.957 12.304 -6.145 1.00 13.86 C ATOM 2682 C LEU B 83 -8.838 13.554 -6.181 1.00 13.02 C ATOM 2683 O LEU B 83 -10.033 13.505 -5.966 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.897 11.718 -7.555 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.475 11.813 -8.100 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.486 11.448 -9.587 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -5.967 13.246 -7.931 1.00 10.58 C ATOM 0 H LEU B 83 -8.951 10.482 -5.642 1.00 13.53 H new ATOM 0 HA LEU B 83 -6.963 12.584 -5.797 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.220 10.677 -7.539 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.583 12.255 -8.210 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.822 11.129 -7.558 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.473 11.513 -9.985 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.859 10.431 -9.709 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.133 12.139 -10.127 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.951 13.320 -8.319 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.615 13.929 -8.480 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -5.972 13.512 -6.874 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.236 14.675 -6.472 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.983 15.950 -6.561 1.00 12.86 C ATOM 2701 C VAL B 84 -8.247 16.857 -7.553 1.00 14.98 C ATOM 2702 O VAL B 84 -7.060 16.709 -7.745 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.004 16.608 -5.184 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.812 15.746 -4.215 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.570 16.756 -4.667 1.00 17.34 C ATOM 0 H VAL B 84 -7.236 14.756 -6.655 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.007 15.779 -6.893 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.466 17.593 -5.260 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.825 16.218 -3.233 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.833 15.645 -4.583 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.355 14.760 -4.137 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.584 17.226 -3.684 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.107 15.772 -4.592 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.997 17.375 -5.357 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.957 17.780 -8.143 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.368 18.732 -9.103 1.00 22.41 C ATOM 2717 C PRO B 85 -7.318 19.612 -8.410 1.00 25.70 C ATOM 2718 O PRO B 85 -7.454 19.964 -7.255 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.570 19.529 -9.613 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.675 19.339 -8.562 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.393 17.978 -7.903 1.00 20.63 C ATOM 0 HA PRO B 85 -7.833 18.253 -9.923 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.319 20.583 -9.730 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.893 19.168 -10.589 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.657 20.142 -7.825 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.662 19.353 -9.025 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.625 17.990 -6.838 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.989 17.183 -8.350 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.259 19.953 -9.102 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.188 20.787 -8.484 1.00 39.94 C ATOM 2731 C ALA B 86 -5.695 22.219 -8.314 1.00 46.96 C ATOM 2732 O ALA B 86 -6.364 22.759 -9.172 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.954 20.783 -9.392 1.00 39.70 C ATOM 0 H ALA B 86 -6.092 19.687 -10.072 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.922 20.379 -7.509 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.170 21.392 -8.943 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.595 19.761 -9.514 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.218 21.193 -10.367 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.382 22.836 -7.211 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.845 24.234 -6.980 1.00 55.12 C ATOM 2741 C LYS B 87 -4.752 25.020 -6.253 1.00 55.82 C ATOM 2742 O LYS B 87 -3.705 24.447 -6.001 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.113 24.214 -6.126 1.00 52.96 C ATOM 2744 CG LYS B 87 -6.780 23.689 -4.728 1.00 55.49 C ATOM 2745 CD LYS B 87 -6.656 24.865 -3.757 1.00 56.64 C ATOM 2746 CE LYS B 87 -6.720 24.348 -2.318 1.00 58.91 C ATOM 2747 NZ LYS B 87 -7.846 25.011 -1.602 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.980 26.182 -5.961 1.00 57.66 O ATOM 0 H LYS B 87 -4.825 22.433 -6.457 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.058 24.710 -7.937 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.534 25.217 -6.058 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.868 23.582 -6.593 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -7.558 23.005 -4.390 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -5.848 23.124 -4.753 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -5.716 25.391 -3.924 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -7.458 25.582 -3.933 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -6.859 23.267 -2.314 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -5.780 24.550 -1.805 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -7.890 24.660 -0.624 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -7.695 26.040 -1.594 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -8.740 24.796 -2.087 1.00 58.16 H new