USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=32 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 Set 1.1: B 15 THR OG1 : rot -70:sc= 0.0742 USER MOD Set 1.2: B 29 ASN : amide:sc= -8.26! C(o=-8.2!,f=-8.5!) USER MOD Set 2.1: A 15 THR OG1 : rot -68:sc= 0.0783 USER MOD Set 2.2: A 29 ASN : amide:sc= -8.4! C(o=-8.3!,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 144:sc= -0.321 (180deg=-2.05!) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0 (180deg=-0.331) USER MOD Single : A 3 LYS NZ :NH3+ 152:sc= -0.0291 (180deg=-0.394) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -1.41 (180deg=-2.76!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.72! K(o=-5.7!,f=-2.2) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.79! C(o=-4.8!,f=-8.2!) USER MOD Single : A 33 CYS SG : rot 150:sc= -5.19! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -6.4! C(o=-6.4!,f=-5.5!) USER MOD Single : A 41 HIS : no HD1:sc= -4.03! C(o=-4!,f=-6.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 53 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.49) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0161 USER MOD Single : A 61 TYR OH : rot 25:sc= 0.213 USER MOD Single : A 62 THR OG1 : rot 160:sc= -0.37 USER MOD Single : A 64 HIS : no HD1:sc= -0.855 K(o=-0.86,f=-4.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -131:sc= -1.74 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.91! K(o=-1.9!,f=-1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 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 144:sc= -0.403 (180deg=-2.22!) USER MOD Single : B 1 MET N :NH3+ 167:sc= 0 (180deg=-0.21) USER MOD Single : B 3 LYS NZ :NH3+ 153:sc= -0.0418 (180deg=-0.377) USER MOD Single : B 7 LYS NZ :NH3+ 152:sc= -1.43 (180deg=-2.81!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -5.67! K(o=-5.7!,f=-2.1) USER MOD Single : B 12 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -4.9! C(o=-4.9!,f=-8.4!) USER MOD Single : B 33 CYS SG : rot 150:sc= -5.32! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -6.49! C(o=-6.5!,f=-5.4!) USER MOD Single : B 41 HIS : no HD1:sc= -4.04! C(o=-4!,f=-5.9!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0.013 USER MOD Single : B 53 GLN : amide:sc= -0.0845 X(o=-0.084,f=-0.45) USER MOD Single : B 56 TYR OH : rot 180:sc= -0.043 USER MOD Single : B 61 TYR OH : rot 27:sc= 0.167 USER MOD Single : B 62 THR OG1 : rot 160:sc= -0.374 USER MOD Single : B 64 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-4.1!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -135:sc= -1.92 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.91) USER MOD Single : B 75 SER OG : rot 180:sc= 0 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 -2.705 18.119 3.190 1.00 42.32 N ATOM 2 CA MET A 1 -1.313 17.804 3.620 1.00 40.89 C ATOM 3 C MET A 1 -1.347 16.747 4.723 1.00 34.75 C ATOM 4 O MET A 1 -1.867 16.976 5.796 1.00 33.97 O ATOM 5 CB MET A 1 -0.642 19.072 4.155 1.00 48.45 C ATOM 6 CG MET A 1 0.694 18.712 4.812 1.00 56.13 C ATOM 7 SD MET A 1 2.043 19.524 3.917 1.00 64.91 S ATOM 8 CE MET A 1 1.436 21.221 4.080 1.00 63.43 C ATOM 0 H1 MET A 1 -2.714 19.025 2.680 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.054 17.366 2.563 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.320 18.186 4.026 1.00 42.32 H new ATOM 0 HA MET A 1 -0.749 17.425 2.768 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.479 19.780 3.342 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.294 19.562 4.878 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.695 19.026 5.856 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.836 17.631 4.804 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.280 21.899 4.206 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.880 21.496 3.184 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.781 21.291 4.949 1.00 63.43 H new ATOM 20 N ILE A 2 -0.785 15.595 4.473 1.00 28.59 N ATOM 21 CA ILE A 2 -0.774 14.531 5.518 1.00 24.58 C ATOM 22 C ILE A 2 -0.044 15.081 6.743 1.00 19.29 C ATOM 23 O ILE A 2 1.142 14.887 6.912 1.00 19.53 O ATOM 24 CB ILE A 2 -0.042 13.301 4.982 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.506 13.004 3.560 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.347 12.093 5.859 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.716 12.837 2.665 1.00 33.80 C ATOM 0 H ILE A 2 -0.334 15.345 3.593 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.791 14.243 5.786 1.00 24.58 H new ATOM 0 HB ILE A 2 1.030 13.500 4.989 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.112 12.098 3.543 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.135 13.815 3.192 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.178 11.220 5.471 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.017 12.291 6.879 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.420 11.902 5.855 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.394 12.624 1.646 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.303 13.755 2.676 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.326 12.012 3.032 1.00 33.80 H new ATOM 39 N LYS A 3 -0.744 15.796 7.579 1.00 18.14 N ATOM 40 CA LYS A 3 -0.099 16.404 8.776 1.00 16.66 C ATOM 41 C LYS A 3 0.355 15.333 9.766 1.00 14.94 C ATOM 42 O LYS A 3 -0.202 14.256 9.845 1.00 13.94 O ATOM 43 CB LYS A 3 -1.093 17.342 9.464 1.00 16.94 C ATOM 44 CG LYS A 3 -1.090 18.698 8.754 1.00 17.85 C ATOM 45 CD LYS A 3 -2.017 19.667 9.492 1.00 19.63 C ATOM 46 CE LYS A 3 -1.193 20.526 10.452 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.382 21.503 9.672 1.00 32.72 N ATOM 0 H LYS A 3 -1.742 15.986 7.484 1.00 18.14 H new ATOM 0 HA LYS A 3 0.779 16.959 8.447 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.093 16.910 9.441 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.824 17.468 10.513 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.078 19.101 8.722 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.419 18.580 7.721 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.541 20.302 8.777 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.777 19.113 10.043 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.852 21.053 11.142 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.540 19.894 11.054 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.209 22.350 10.250 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 0.527 21.070 9.412 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.897 21.771 8.809 1.00 32.72 H new ATOM 61 N VAL A 4 1.370 15.642 10.528 1.00 12.42 N ATOM 62 CA VAL A 4 1.890 14.680 11.533 1.00 12.99 C ATOM 63 C VAL A 4 2.784 15.444 12.516 1.00 14.26 C ATOM 64 O VAL A 4 3.141 16.582 12.294 1.00 13.80 O ATOM 65 CB VAL A 4 2.686 13.560 10.826 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.315 14.094 9.540 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.793 13.020 11.746 1.00 10.41 C ATOM 0 H VAL A 4 1.865 16.533 10.493 1.00 12.42 H new ATOM 0 HA VAL A 4 1.066 14.216 12.076 1.00 12.99 H new ATOM 0 HB VAL A 4 1.996 12.751 10.586 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.874 13.297 9.050 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.531 14.451 8.872 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.990 14.916 9.779 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.342 12.232 11.231 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.476 13.828 12.006 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.346 12.616 12.654 1.00 10.41 H new ATOM 77 N GLU A 5 3.138 14.824 13.603 1.00 9.27 N ATOM 78 CA GLU A 5 4.002 15.499 14.610 1.00 10.51 C ATOM 79 C GLU A 5 5.000 14.497 15.171 1.00 10.00 C ATOM 80 O GLU A 5 4.636 13.515 15.786 1.00 10.96 O ATOM 81 CB GLU A 5 3.133 16.037 15.748 1.00 10.42 C ATOM 82 CG GLU A 5 2.621 17.427 15.379 1.00 18.68 C ATOM 83 CD GLU A 5 1.860 18.025 16.564 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.928 17.388 17.026 1.00 22.12 O ATOM 85 OE2 GLU A 5 2.223 19.110 16.989 1.00 19.38 O ATOM 0 H GLU A 5 2.864 13.871 13.840 1.00 9.27 H new ATOM 0 HA GLU A 5 4.536 16.323 14.137 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.295 15.365 15.930 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.711 16.083 16.671 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.456 18.073 15.107 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.968 17.366 14.508 1.00 18.68 H new ATOM 92 N ILE A 6 6.260 14.740 14.974 1.00 9.86 N ATOM 93 CA ILE A 6 7.278 13.805 15.516 1.00 10.60 C ATOM 94 C ILE A 6 7.384 14.047 17.028 1.00 10.16 C ATOM 95 O ILE A 6 8.115 14.906 17.477 1.00 11.64 O ATOM 96 CB ILE A 6 8.621 14.070 14.828 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.473 13.823 13.320 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.690 13.144 15.410 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.516 12.323 13.018 1.00 13.81 C ATOM 0 H ILE A 6 6.629 15.542 14.463 1.00 9.86 H new ATOM 0 HA ILE A 6 6.997 12.768 15.331 1.00 10.60 H new ATOM 0 HB ILE A 6 8.923 15.104 14.996 1.00 9.14 H new ATOM 0 HG12 ILE A 6 7.532 14.245 12.967 1.00 14.23 H new ATOM 0 HG13 ILE A 6 9.272 14.332 12.782 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.644 13.335 14.918 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.789 13.330 16.479 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.400 12.106 15.248 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.410 12.165 11.945 1.00 13.81 H new ATOM 0 HD12 ILE A 6 9.468 11.912 13.353 1.00 13.81 H new ATOM 0 HD13 ILE A 6 7.701 11.823 13.541 1.00 13.81 H new ATOM 111 N LYS A 7 6.634 13.311 17.815 1.00 11.63 N ATOM 112 CA LYS A 7 6.663 13.511 19.291 1.00 11.59 C ATOM 113 C LYS A 7 8.109 13.645 19.778 1.00 12.98 C ATOM 114 O LYS A 7 9.038 13.433 19.024 1.00 9.79 O ATOM 115 CB LYS A 7 5.994 12.308 19.959 1.00 12.52 C ATOM 116 CG LYS A 7 4.588 12.690 20.442 1.00 14.26 C ATOM 117 CD LYS A 7 3.837 13.465 19.353 1.00 15.70 C ATOM 118 CE LYS A 7 3.324 14.780 19.934 1.00 19.19 C ATOM 119 NZ LYS A 7 4.301 15.868 19.647 1.00 25.43 N ATOM 0 H LYS A 7 6.002 12.578 17.492 1.00 11.63 H new ATOM 0 HA LYS A 7 6.128 14.425 19.550 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.933 11.478 19.255 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.597 11.968 20.801 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.031 11.791 20.706 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.660 13.297 21.344 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.497 13.660 18.508 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.004 12.871 18.976 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.354 15.026 19.503 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.179 14.682 21.010 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.789 16.754 19.459 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.927 15.997 20.467 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.869 15.613 18.814 1.00 25.43 H new ATOM 133 N PRO A 8 8.253 13.994 21.033 1.00 13.56 N ATOM 134 CA PRO A 8 9.575 14.168 21.659 1.00 11.93 C ATOM 135 C PRO A 8 10.204 12.803 21.922 1.00 10.20 C ATOM 136 O PRO A 8 11.409 12.645 21.906 1.00 12.05 O ATOM 137 CB PRO A 8 9.265 14.909 22.963 1.00 12.78 C ATOM 138 CG PRO A 8 7.777 14.629 23.279 1.00 12.51 C ATOM 139 CD PRO A 8 7.115 14.237 21.944 1.00 13.61 C ATOM 0 HA PRO A 8 10.286 14.715 21.040 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.907 14.558 23.771 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.445 15.979 22.854 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.680 13.827 24.011 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.298 15.510 23.706 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.495 13.347 22.053 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.469 15.032 21.571 1.00 13.61 H new ATOM 147 N SER A 9 9.391 11.815 22.142 1.00 10.65 N ATOM 148 CA SER A 9 9.925 10.448 22.381 1.00 10.83 C ATOM 149 C SER A 9 10.280 9.816 21.034 1.00 10.94 C ATOM 150 O SER A 9 10.851 8.746 20.967 1.00 13.16 O ATOM 151 CB SER A 9 8.867 9.598 23.086 1.00 13.01 C ATOM 152 OG SER A 9 9.499 8.759 24.044 1.00 15.52 O ATOM 0 H SER A 9 8.374 11.894 22.167 1.00 10.65 H new ATOM 0 HA SER A 9 10.813 10.502 23.011 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.135 10.240 23.575 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.325 8.994 22.358 1.00 13.01 H new ATOM 0 HG SER A 9 8.823 8.214 24.498 1.00 15.52 H new ATOM 158 N GLN A 10 9.945 10.478 19.958 1.00 10.02 N ATOM 159 CA GLN A 10 10.262 9.929 18.612 1.00 11.55 C ATOM 160 C GLN A 10 11.201 10.889 17.882 1.00 13.72 C ATOM 161 O GLN A 10 11.058 11.132 16.701 1.00 17.31 O ATOM 162 CB GLN A 10 8.979 9.768 17.803 1.00 6.60 C ATOM 163 CG GLN A 10 7.831 9.426 18.745 1.00 7.20 C ATOM 164 CD GLN A 10 8.085 8.073 19.419 1.00 10.36 C ATOM 165 OE1 GLN A 10 7.409 7.721 20.366 1.00 13.01 O ATOM 166 NE2 GLN A 10 9.033 7.291 18.974 1.00 4.80 N ATOM 0 H GLN A 10 9.464 11.378 19.956 1.00 10.02 H new ATOM 0 HA GLN A 10 10.742 8.957 18.725 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.759 10.688 17.261 1.00 6.60 H new ATOM 0 HB3 GLN A 10 9.101 8.981 17.059 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.728 10.204 19.502 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.893 9.394 18.191 1.00 7.20 H new ATOM 0 HE21 GLN A 10 9.603 7.582 18.180 1.00 4.80 H new ATOM 0 HE22 GLN A 10 9.203 6.390 19.421 1.00 4.80 H new ATOM 175 N ALA A 11 12.157 11.445 18.573 1.00 15.28 N ATOM 176 CA ALA A 11 13.096 12.393 17.907 1.00 18.95 C ATOM 177 C ALA A 11 14.435 11.698 17.654 1.00 20.75 C ATOM 178 O ALA A 11 15.401 12.316 17.251 1.00 24.78 O ATOM 179 CB ALA A 11 13.314 13.611 18.803 1.00 17.72 C ATOM 0 H ALA A 11 12.329 11.286 19.566 1.00 15.28 H new ATOM 0 HA ALA A 11 12.670 12.714 16.956 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.000 14.303 18.315 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.360 14.109 18.979 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.737 13.291 19.755 1.00 17.72 H new ATOM 185 N GLN A 12 14.499 10.419 17.887 1.00 22.50 N ATOM 186 CA GLN A 12 15.770 9.680 17.663 1.00 25.43 C ATOM 187 C GLN A 12 15.473 8.340 16.994 1.00 22.80 C ATOM 188 O GLN A 12 14.528 7.659 17.343 1.00 20.93 O ATOM 189 CB GLN A 12 16.451 9.433 19.005 1.00 30.18 C ATOM 190 CG GLN A 12 17.387 10.596 19.311 1.00 42.11 C ATOM 191 CD GLN A 12 18.200 10.284 20.572 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.722 9.609 21.462 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.417 10.745 20.686 1.00 47.90 N ATOM 0 H GLN A 12 13.722 9.851 18.225 1.00 22.50 H new ATOM 0 HA GLN A 12 16.424 10.269 17.020 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.704 9.334 19.793 1.00 30.18 H new ATOM 0 HB3 GLN A 12 17.010 8.498 18.976 1.00 30.18 H new ATOM 0 HG2 GLN A 12 18.056 10.769 18.468 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.812 11.511 19.454 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.820 11.312 19.940 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.965 10.538 21.521 1.00 47.90 H new ATOM 202 N PHE A 13 16.274 7.946 16.042 1.00 21.61 N ATOM 203 CA PHE A 13 16.032 6.645 15.371 1.00 20.51 C ATOM 204 C PHE A 13 16.830 5.565 16.093 1.00 18.83 C ATOM 205 O PHE A 13 17.763 5.852 16.816 1.00 18.83 O ATOM 206 CB PHE A 13 16.491 6.722 13.920 1.00 19.56 C ATOM 207 CG PHE A 13 17.948 7.117 13.888 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.942 6.153 14.093 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.305 8.452 13.660 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.291 6.525 14.070 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.652 8.823 13.638 1.00 14.07 C ATOM 212 CZ PHE A 13 20.644 7.861 13.842 1.00 18.48 C ATOM 0 H PHE A 13 17.082 8.469 15.703 1.00 21.61 H new ATOM 0 HA PHE A 13 14.968 6.409 15.399 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.351 5.759 13.429 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.891 7.449 13.373 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.668 5.123 14.269 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.538 9.196 13.501 1.00 15.55 H new ATOM 0 HE1 PHE A 13 21.059 5.782 14.228 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.926 9.853 13.463 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.685 8.148 13.824 1.00 18.48 H new ATOM 222 N THR A 14 16.480 4.327 15.908 1.00 14.89 N ATOM 223 CA THR A 14 17.235 3.246 16.592 1.00 13.37 C ATOM 224 C THR A 14 17.631 2.175 15.579 1.00 11.97 C ATOM 225 O THR A 14 16.973 1.978 14.576 1.00 10.76 O ATOM 226 CB THR A 14 16.365 2.619 17.680 1.00 13.68 C ATOM 227 OG1 THR A 14 16.036 3.606 18.649 1.00 13.48 O ATOM 228 CG2 THR A 14 17.132 1.479 18.349 1.00 9.24 C ATOM 0 H THR A 14 15.709 4.017 15.317 1.00 14.89 H new ATOM 0 HA THR A 14 18.133 3.668 17.044 1.00 13.37 H new ATOM 0 HB THR A 14 15.449 2.228 17.236 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.476 3.206 19.347 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.513 1.030 19.126 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.384 0.724 17.604 1.00 9.24 H new ATOM 0 HG23 THR A 14 18.047 1.869 18.795 1.00 9.24 H new ATOM 236 N THR A 15 18.702 1.479 15.834 1.00 13.20 N ATOM 237 CA THR A 15 19.142 0.418 14.891 1.00 12.54 C ATOM 238 C THR A 15 18.634 -0.937 15.382 1.00 14.34 C ATOM 239 O THR A 15 19.096 -1.462 16.375 1.00 17.35 O ATOM 240 CB THR A 15 20.669 0.395 14.825 1.00 11.88 C ATOM 241 OG1 THR A 15 21.178 1.670 15.191 1.00 17.15 O ATOM 242 CG2 THR A 15 21.108 0.056 13.403 1.00 8.30 C ATOM 0 H THR A 15 19.292 1.600 16.657 1.00 13.20 H new ATOM 0 HA THR A 15 18.739 0.622 13.899 1.00 12.54 H new ATOM 0 HB THR A 15 21.054 -0.358 15.513 1.00 11.88 H new ATOM 0 HG1 THR A 15 20.943 2.326 14.502 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.197 0.039 13.353 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.716 -0.922 13.125 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.725 0.809 12.715 1.00 8.30 H new ATOM 435 N LEU A 28 18.881 -1.308 9.960 1.00 18.57 N ATOM 436 CA LEU A 28 18.725 0.113 9.542 1.00 16.31 C ATOM 437 C LEU A 28 18.119 0.942 10.679 1.00 14.21 C ATOM 438 O LEU A 28 17.515 0.417 11.593 1.00 16.97 O ATOM 439 CB LEU A 28 17.807 0.173 8.322 1.00 16.48 C ATOM 440 CG LEU A 28 18.574 0.743 7.129 1.00 22.19 C ATOM 441 CD1 LEU A 28 19.265 -0.395 6.374 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.598 1.460 6.193 1.00 22.01 C ATOM 0 HA LEU A 28 19.704 0.523 9.296 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.435 -0.824 8.085 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.938 0.794 8.539 1.00 16.48 H new ATOM 0 HG LEU A 28 19.324 1.450 7.483 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.812 0.012 5.523 1.00 24.00 H new ATOM 0 HD12 LEU A 28 19.960 -0.905 7.041 1.00 24.00 H new ATOM 0 HD13 LEU A 28 18.516 -1.103 6.019 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.143 1.867 5.342 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.848 0.753 5.839 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.107 2.271 6.731 1.00 22.01 H new ATOM 454 N ASN A 29 18.275 2.239 10.619 1.00 11.64 N ATOM 455 CA ASN A 29 17.709 3.121 11.681 1.00 9.77 C ATOM 456 C ASN A 29 16.207 3.296 11.445 1.00 7.94 C ATOM 457 O ASN A 29 15.778 3.630 10.358 1.00 10.52 O ATOM 458 CB ASN A 29 18.377 4.495 11.610 1.00 14.73 C ATOM 459 CG ASN A 29 19.839 4.392 12.039 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.233 3.438 12.681 1.00 23.31 O ATOM 461 ND2 ASN A 29 20.667 5.345 11.708 1.00 12.89 N ATOM 0 H ASN A 29 18.773 2.727 9.875 1.00 11.64 H new ATOM 0 HA ASN A 29 17.886 2.670 12.657 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.315 4.886 10.594 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.850 5.198 12.255 1.00 14.73 H new ATOM 0 HD21 ASN A 29 21.646 5.290 11.988 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.335 6.145 11.169 1.00 12.89 H new ATOM 468 N GLU A 30 15.404 3.084 12.449 1.00 8.58 N ATOM 469 CA GLU A 30 13.934 3.253 12.270 1.00 13.16 C ATOM 470 C GLU A 30 13.418 4.270 13.288 1.00 12.26 C ATOM 471 O GLU A 30 13.945 4.394 14.375 1.00 10.58 O ATOM 472 CB GLU A 30 13.233 1.911 12.490 1.00 14.93 C ATOM 473 CG GLU A 30 13.668 0.922 11.407 1.00 27.13 C ATOM 474 CD GLU A 30 13.453 -0.508 11.905 1.00 33.28 C ATOM 475 OE1 GLU A 30 12.326 -0.835 12.238 1.00 40.03 O ATOM 476 OE2 GLU A 30 14.419 -1.250 11.946 1.00 38.01 O ATOM 0 H GLU A 30 15.700 2.802 13.384 1.00 8.58 H new ATOM 0 HA GLU A 30 13.727 3.606 11.260 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.480 1.518 13.476 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.152 2.045 12.461 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.096 1.090 10.495 1.00 27.13 H new ATOM 0 HG3 GLU A 30 14.718 1.078 11.158 1.00 27.13 H new ATOM 483 N GLN A 31 12.392 5.003 12.949 1.00 10.34 N ATOM 484 CA GLN A 31 11.854 6.008 13.908 1.00 9.46 C ATOM 485 C GLN A 31 10.327 5.941 13.920 1.00 10.09 C ATOM 486 O GLN A 31 9.729 5.040 13.366 1.00 9.36 O ATOM 487 CB GLN A 31 12.303 7.412 13.488 1.00 7.25 C ATOM 488 CG GLN A 31 13.012 8.098 14.658 1.00 10.62 C ATOM 489 CD GLN A 31 12.192 9.310 15.099 1.00 8.77 C ATOM 490 OE1 GLN A 31 11.045 9.173 15.476 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.730 10.501 15.063 1.00 12.39 N ATOM 0 H GLN A 31 11.906 4.950 12.054 1.00 10.34 H new ATOM 0 HA GLN A 31 12.233 5.791 14.907 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.973 7.349 12.631 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.441 8.002 13.176 1.00 7.25 H new ATOM 0 HG2 GLN A 31 13.129 7.401 15.488 1.00 10.62 H new ATOM 0 HG3 GLN A 31 14.013 8.410 14.360 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.693 10.616 14.747 1.00 12.39 H new ATOM 0 HE22 GLN A 31 12.187 11.315 15.351 1.00 12.39 H new ATOM 500 N LEU A 32 9.692 6.885 14.557 1.00 6.80 N ATOM 501 CA LEU A 32 8.205 6.874 14.616 1.00 10.34 C ATOM 502 C LEU A 32 7.668 8.264 14.259 1.00 9.02 C ATOM 503 O LEU A 32 8.419 9.200 14.073 1.00 11.15 O ATOM 504 CB LEU A 32 7.769 6.485 16.029 1.00 10.20 C ATOM 505 CG LEU A 32 8.143 5.024 16.286 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.586 4.943 16.791 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.200 4.434 17.338 1.00 15.89 C ATOM 0 H LEU A 32 10.140 7.664 15.040 1.00 6.80 H new ATOM 0 HA LEU A 32 7.807 6.152 13.903 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.252 7.131 16.762 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.694 6.623 16.142 1.00 10.20 H new ATOM 0 HG LEU A 32 8.053 4.459 15.358 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.850 3.901 16.973 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.258 5.362 16.042 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.679 5.508 17.718 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.466 3.393 17.522 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.289 5.000 18.265 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.173 4.488 16.977 1.00 15.89 H new ATOM 519 N CYS A 33 6.373 8.406 14.154 1.00 9.68 N ATOM 520 CA CYS A 33 5.791 9.728 13.801 1.00 8.10 C ATOM 521 C CYS A 33 4.313 9.712 14.168 1.00 6.34 C ATOM 522 O CYS A 33 3.713 8.667 14.302 1.00 8.02 O ATOM 523 CB CYS A 33 5.922 9.996 12.294 1.00 8.88 C ATOM 524 SG CYS A 33 6.241 8.455 11.393 1.00 13.84 S ATOM 0 H CYS A 33 5.694 7.659 14.299 1.00 9.68 H new ATOM 0 HA CYS A 33 6.323 10.510 14.343 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.008 10.458 11.921 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.733 10.702 12.114 1.00 8.88 H new ATOM 0 HG CYS A 33 5.739 8.540 10.197 1.00 13.84 H new ATOM 530 N TYR A 34 3.717 10.854 14.329 1.00 7.35 N ATOM 531 CA TYR A 34 2.277 10.883 14.687 1.00 7.08 C ATOM 532 C TYR A 34 1.484 11.510 13.545 1.00 7.71 C ATOM 533 O TYR A 34 1.392 12.715 13.434 1.00 7.80 O ATOM 534 CB TYR A 34 2.092 11.726 15.935 1.00 8.67 C ATOM 535 CG TYR A 34 2.265 10.879 17.171 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.230 10.042 17.608 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.454 10.961 17.901 1.00 12.44 C ATOM 538 CE1 TYR A 34 1.386 9.290 18.773 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.608 10.211 19.068 1.00 16.38 C ATOM 540 CZ TYR A 34 2.573 9.379 19.503 1.00 16.83 C ATOM 541 OH TYR A 34 2.727 8.639 20.658 1.00 21.14 O ATOM 0 H TYR A 34 4.162 11.766 14.229 1.00 7.35 H new ATOM 0 HA TYR A 34 1.925 9.867 14.867 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.815 12.542 15.941 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.100 12.179 15.932 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.312 9.979 17.043 1.00 13.61 H new ATOM 0 HD2 TYR A 34 4.253 11.604 17.562 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.591 8.641 19.109 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.526 10.274 19.634 1.00 16.38 H new ATOM 0 HH TYR A 34 3.610 8.815 21.044 1.00 21.14 H new ATOM 551 N VAL A 35 0.919 10.710 12.690 1.00 9.44 N ATOM 552 CA VAL A 35 0.143 11.281 11.553 1.00 10.66 C ATOM 553 C VAL A 35 -1.358 11.122 11.797 1.00 10.57 C ATOM 554 O VAL A 35 -1.845 10.041 12.059 1.00 8.31 O ATOM 555 CB VAL A 35 0.521 10.555 10.264 1.00 10.22 C ATOM 556 CG1 VAL A 35 0.099 11.404 9.062 1.00 7.97 C ATOM 557 CG2 VAL A 35 2.036 10.338 10.231 1.00 9.86 C ATOM 0 H VAL A 35 0.959 9.691 12.726 1.00 9.44 H new ATOM 0 HA VAL A 35 0.378 12.342 11.467 1.00 10.66 H new ATOM 0 HB VAL A 35 0.015 9.591 10.223 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.368 10.888 8.140 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -0.979 11.562 9.089 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.608 12.367 9.100 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.309 9.820 9.312 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.543 11.302 10.268 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.336 9.737 11.089 1.00 9.86 H new ATOM 567 N ASP A 36 -2.098 12.194 11.698 1.00 8.58 N ATOM 568 CA ASP A 36 -3.559 12.108 11.901 1.00 11.48 C ATOM 569 C ASP A 36 -4.212 11.737 10.571 1.00 12.38 C ATOM 570 O ASP A 36 -5.262 11.134 10.531 1.00 11.89 O ATOM 571 CB ASP A 36 -4.094 13.460 12.380 1.00 16.17 C ATOM 572 CG ASP A 36 -3.670 14.555 11.398 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.526 14.533 10.975 1.00 15.67 O ATOM 574 OD2 ASP A 36 -4.497 15.396 11.087 1.00 25.89 O ATOM 0 H ASP A 36 -1.744 13.127 11.484 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.788 11.353 12.653 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -5.181 13.426 12.456 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.711 13.682 13.376 1.00 16.17 H new ATOM 579 N LEU A 37 -3.589 12.092 9.479 1.00 13.17 N ATOM 580 CA LEU A 37 -4.165 11.759 8.146 1.00 18.47 C ATOM 581 C LEU A 37 -5.645 12.130 8.120 1.00 21.14 C ATOM 582 O LEU A 37 -6.416 11.599 7.346 1.00 24.24 O ATOM 583 CB LEU A 37 -4.010 10.261 7.885 1.00 15.81 C ATOM 584 CG LEU A 37 -2.696 9.776 8.493 1.00 20.59 C ATOM 585 CD1 LEU A 37 -2.993 8.913 9.719 1.00 14.72 C ATOM 586 CD2 LEU A 37 -1.931 8.949 7.457 1.00 20.01 C ATOM 0 H LEU A 37 -2.704 12.599 9.454 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.639 12.320 7.374 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -4.848 9.716 8.319 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.023 10.064 6.813 1.00 15.81 H new ATOM 0 HG LEU A 37 -2.092 10.633 8.790 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -2.056 8.565 10.155 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.539 9.503 10.455 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.596 8.055 9.422 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -0.993 8.602 7.889 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -2.533 8.090 7.160 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -1.722 9.565 6.582 1.00 20.01 H new ATOM 598 N GLY A 38 -6.049 13.044 8.956 1.00 20.70 N ATOM 599 CA GLY A 38 -7.475 13.454 8.974 1.00 23.91 C ATOM 600 C GLY A 38 -8.263 12.567 9.946 1.00 26.50 C ATOM 601 O GLY A 38 -9.475 12.627 10.008 1.00 31.02 O ATOM 0 H GLY A 38 -5.450 13.524 9.628 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.558 14.499 9.273 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.897 13.375 7.972 1.00 23.91 H new ATOM 605 N ASN A 39 -7.588 11.740 10.702 1.00 27.64 N ATOM 606 CA ASN A 39 -8.304 10.852 11.659 1.00 30.27 C ATOM 607 C ASN A 39 -8.518 11.580 12.990 1.00 26.79 C ATOM 608 O ASN A 39 -8.761 10.970 14.012 1.00 26.87 O ATOM 609 CB ASN A 39 -7.487 9.579 11.902 1.00 35.62 C ATOM 610 CG ASN A 39 -6.826 9.126 10.598 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.300 9.435 9.523 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.738 8.402 10.649 1.00 39.63 N ATOM 0 H ASN A 39 -6.573 11.643 10.696 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.272 10.586 11.233 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.726 9.764 12.660 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.133 8.790 12.285 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.288 8.097 9.786 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.340 8.143 11.552 1.00 39.63 H new ATOM 619 N GLU A 40 -8.432 12.879 12.983 1.00 25.15 N ATOM 620 CA GLU A 40 -8.632 13.653 14.243 1.00 23.81 C ATOM 621 C GLU A 40 -7.846 13.006 15.379 1.00 21.12 C ATOM 622 O GLU A 40 -8.422 12.415 16.264 1.00 19.86 O ATOM 623 CB GLU A 40 -10.114 13.669 14.617 1.00 27.22 C ATOM 624 CG GLU A 40 -10.964 13.682 13.345 1.00 34.87 C ATOM 625 CD GLU A 40 -12.446 13.751 13.722 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.802 14.634 14.485 1.00 39.54 O ATOM 627 OE2 GLU A 40 -13.198 12.920 13.241 1.00 42.34 O ATOM 0 H GLU A 40 -8.231 13.443 12.157 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.282 14.673 14.084 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.357 12.794 15.220 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.337 14.546 15.224 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.696 14.537 12.724 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.769 12.786 12.755 1.00 34.87 H new ATOM 634 N HIS A 41 -6.540 13.133 15.345 1.00 6.30 N ATOM 635 CA HIS A 41 -5.650 12.554 16.409 1.00 5.74 C ATOM 636 C HIS A 41 -4.367 12.053 15.751 1.00 4.51 C ATOM 637 O HIS A 41 -4.389 11.619 14.617 1.00 3.53 O ATOM 638 CB HIS A 41 -6.326 11.387 17.138 1.00 6.59 C ATOM 639 CG HIS A 41 -7.057 11.913 18.345 1.00 5.77 C ATOM 640 ND1 HIS A 41 -7.619 13.181 18.370 1.00 6.33 N ATOM 641 CD2 HIS A 41 -7.344 11.353 19.565 1.00 5.05 C ATOM 642 CE1 HIS A 41 -8.214 13.339 19.562 1.00 5.84 C ATOM 643 NE2 HIS A 41 -8.076 12.256 20.333 1.00 5.07 N ATOM 0 H HIS A 41 -6.039 13.626 14.606 1.00 6.30 H new ATOM 0 HA HIS A 41 -5.437 13.332 17.142 1.00 5.74 H new ATOM 0 HB2 HIS A 41 -7.021 10.879 16.470 1.00 6.59 H new ATOM 0 HB3 HIS A 41 -5.581 10.652 17.441 1.00 6.59 H new ATOM 0 HD2 HIS A 41 -7.048 10.364 19.881 1.00 5.05 H new ATOM 0 HE1 HIS A 41 -8.741 14.233 19.862 1.00 5.84 H new ATOM 0 HE2 HIS A 41 -8.430 12.120 21.280 1.00 5.07 H new ATOM 651 N PRO A 42 -3.282 12.135 16.475 1.00 15.11 N ATOM 652 CA PRO A 42 -1.973 11.701 15.970 1.00 16.08 C ATOM 653 C PRO A 42 -1.841 10.182 16.059 1.00 17.92 C ATOM 654 O PRO A 42 -2.205 9.572 17.044 1.00 17.13 O ATOM 655 CB PRO A 42 -0.985 12.369 16.921 1.00 16.41 C ATOM 656 CG PRO A 42 -1.753 12.645 18.227 1.00 13.79 C ATOM 657 CD PRO A 42 -3.252 12.664 17.855 1.00 16.28 C ATOM 0 HA PRO A 42 -1.813 11.967 14.925 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.127 11.723 17.105 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.601 13.295 16.494 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.547 11.874 18.969 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.449 13.597 18.663 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.840 12.045 18.533 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.664 13.672 17.906 1.00 16.28 H new ATOM 665 N VAL A 43 -1.306 9.571 15.045 1.00 16.29 N ATOM 666 CA VAL A 43 -1.133 8.096 15.077 1.00 14.28 C ATOM 667 C VAL A 43 0.359 7.775 15.077 1.00 9.00 C ATOM 668 O VAL A 43 1.080 8.123 14.164 1.00 7.99 O ATOM 669 CB VAL A 43 -1.810 7.469 13.858 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.179 8.117 13.646 1.00 18.07 C ATOM 671 CG2 VAL A 43 -0.945 7.686 12.612 1.00 20.57 C ATOM 0 H VAL A 43 -0.980 10.029 14.194 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.593 7.687 15.977 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.933 6.399 14.027 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.662 7.670 12.777 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.798 7.956 14.528 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.053 9.187 13.481 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.433 7.237 11.747 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.815 8.755 12.441 1.00 20.57 H new ATOM 0 HG23 VAL A 43 0.030 7.221 12.760 1.00 20.57 H new ATOM 681 N LEU A 44 0.829 7.129 16.105 1.00 10.19 N ATOM 682 CA LEU A 44 2.275 6.808 16.178 1.00 11.55 C ATOM 683 C LEU A 44 2.614 5.635 15.259 1.00 10.61 C ATOM 684 O LEU A 44 2.306 4.494 15.544 1.00 13.49 O ATOM 685 CB LEU A 44 2.644 6.451 17.612 1.00 10.60 C ATOM 686 CG LEU A 44 4.137 6.158 17.679 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.917 7.432 17.346 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.504 5.685 19.087 1.00 20.21 C ATOM 0 H LEU A 44 0.272 6.810 16.898 1.00 10.19 H new ATOM 0 HA LEU A 44 2.843 7.681 15.855 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.391 7.273 18.282 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.074 5.583 17.943 1.00 10.60 H new ATOM 0 HG LEU A 44 4.389 5.378 16.961 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.986 7.227 17.393 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.655 7.767 16.342 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.665 8.211 18.065 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.573 5.476 19.133 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.255 6.463 19.809 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.946 4.779 19.323 1.00 20.21 H new ATOM 700 N VAL A 45 3.263 5.914 14.166 1.00 10.81 N ATOM 701 CA VAL A 45 3.653 4.838 13.221 1.00 9.29 C ATOM 702 C VAL A 45 5.168 4.753 13.174 1.00 9.95 C ATOM 703 O VAL A 45 5.862 5.349 13.973 1.00 9.36 O ATOM 704 CB VAL A 45 3.136 5.168 11.829 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.621 5.362 11.883 1.00 7.95 C ATOM 706 CG2 VAL A 45 3.804 6.454 11.331 1.00 10.20 C ATOM 0 H VAL A 45 3.543 6.854 13.885 1.00 10.81 H new ATOM 0 HA VAL A 45 3.230 3.890 13.552 1.00 9.29 H new ATOM 0 HB VAL A 45 3.371 4.351 11.147 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.249 5.599 10.886 1.00 7.95 H new ATOM 0 HG12 VAL A 45 1.149 4.446 12.239 1.00 7.95 H new ATOM 0 HG13 VAL A 45 1.383 6.180 12.563 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.435 6.693 10.333 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.569 7.273 12.011 1.00 10.20 H new ATOM 0 HG23 VAL A 45 4.884 6.312 11.294 1.00 10.20 H new ATOM 716 N LYS A 46 5.686 4.015 12.245 1.00 10.76 N ATOM 717 CA LYS A 46 7.159 3.892 12.153 1.00 12.81 C ATOM 718 C LYS A 46 7.682 4.647 10.928 1.00 13.35 C ATOM 719 O LYS A 46 6.993 4.809 9.940 1.00 12.90 O ATOM 720 CB LYS A 46 7.548 2.417 12.059 1.00 17.04 C ATOM 721 CG LYS A 46 7.467 1.783 13.450 1.00 26.60 C ATOM 722 CD LYS A 46 8.862 1.743 14.076 1.00 33.77 C ATOM 723 CE LYS A 46 9.149 0.331 14.592 1.00 34.48 C ATOM 724 NZ LYS A 46 10.406 0.341 15.393 1.00 36.74 N ATOM 0 H LYS A 46 5.157 3.493 11.547 1.00 10.76 H new ATOM 0 HA LYS A 46 7.605 4.327 13.047 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.882 1.897 11.370 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.558 2.320 11.661 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.789 2.356 14.083 1.00 26.60 H new ATOM 0 HG3 LYS A 46 7.060 0.774 13.378 1.00 26.60 H new ATOM 0 HD2 LYS A 46 9.611 2.032 13.339 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.926 2.461 14.894 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.318 -0.020 15.204 1.00 34.48 H new ATOM 0 HE3 LYS A 46 9.244 -0.361 13.755 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 10.602 -0.618 15.744 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 11.196 0.659 14.796 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 10.299 0.989 16.199 1.00 36.74 H new ATOM 738 N ILE A 47 8.902 5.111 10.995 1.00 13.96 N ATOM 739 CA ILE A 47 9.491 5.859 9.852 1.00 16.93 C ATOM 740 C ILE A 47 10.967 5.468 9.702 1.00 16.52 C ATOM 741 O ILE A 47 11.735 5.550 10.639 1.00 17.67 O ATOM 742 CB ILE A 47 9.370 7.367 10.125 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.449 8.141 8.810 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.497 7.825 11.051 1.00 18.08 C ATOM 745 CD1 ILE A 47 8.248 9.077 8.700 1.00 18.26 C ATOM 0 H ILE A 47 9.518 5.001 11.800 1.00 13.96 H new ATOM 0 HA ILE A 47 8.962 5.616 8.931 1.00 16.93 H new ATOM 0 HB ILE A 47 8.410 7.560 10.604 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.375 8.714 8.767 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.463 7.449 7.968 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.402 8.895 11.238 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.434 7.284 11.995 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.459 7.623 10.581 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.303 9.630 7.762 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.328 8.493 8.724 1.00 18.26 H new ATOM 0 HD13 ILE A 47 8.255 9.777 9.535 1.00 18.26 H new ATOM 757 N THR A 48 11.372 5.044 8.536 1.00 16.86 N ATOM 758 CA THR A 48 12.798 4.653 8.348 1.00 16.59 C ATOM 759 C THR A 48 13.691 5.883 8.538 1.00 19.04 C ATOM 760 O THR A 48 13.309 6.992 8.223 1.00 22.56 O ATOM 761 CB THR A 48 12.996 4.088 6.941 1.00 16.30 C ATOM 762 OG1 THR A 48 11.851 3.333 6.569 1.00 17.90 O ATOM 763 CG2 THR A 48 14.233 3.190 6.918 1.00 16.02 C ATOM 0 H THR A 48 10.781 4.952 7.710 1.00 16.86 H new ATOM 0 HA THR A 48 13.065 3.892 9.081 1.00 16.59 H new ATOM 0 HB THR A 48 13.134 4.908 6.237 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.976 2.972 5.667 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.372 2.788 5.914 1.00 16.02 H new ATOM 0 HG22 THR A 48 15.110 3.772 7.201 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.100 2.369 7.622 1.00 16.02 H new ATOM 771 N LEU A 49 14.875 5.695 9.054 1.00 18.35 N ATOM 772 CA LEU A 49 15.787 6.854 9.270 1.00 18.82 C ATOM 773 C LEU A 49 17.115 6.592 8.552 1.00 20.06 C ATOM 774 O LEU A 49 18.122 6.317 9.169 1.00 18.35 O ATOM 775 CB LEU A 49 16.030 7.018 10.778 1.00 18.79 C ATOM 776 CG LEU A 49 16.707 8.360 11.084 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.218 8.238 10.863 1.00 20.41 C ATOM 778 CD2 LEU A 49 16.146 9.460 10.177 1.00 14.50 C ATOM 0 H LEU A 49 15.250 4.789 9.335 1.00 18.35 H new ATOM 0 HA LEU A 49 15.340 7.765 8.872 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.082 6.955 11.312 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.654 6.201 11.140 1.00 18.79 H new ATOM 0 HG LEU A 49 16.508 8.623 12.123 1.00 18.24 H new ATOM 0 HD11 LEU A 49 18.696 9.193 11.081 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.622 7.471 11.524 1.00 20.41 H new ATOM 0 HD13 LEU A 49 18.413 7.963 9.826 1.00 20.41 H new ATOM 0 HD21 LEU A 49 16.636 10.406 10.406 1.00 14.50 H new ATOM 0 HD22 LEU A 49 16.329 9.200 9.134 1.00 14.50 H new ATOM 0 HD23 LEU A 49 15.073 9.558 10.344 1.00 14.50 H new ATOM 790 N ASP A 50 17.128 6.674 7.250 1.00 22.62 N ATOM 791 CA ASP A 50 18.392 6.421 6.505 1.00 27.04 C ATOM 792 C ASP A 50 18.583 7.495 5.433 1.00 27.73 C ATOM 793 O ASP A 50 17.816 8.431 5.333 1.00 26.65 O ATOM 794 CB ASP A 50 18.324 5.044 5.840 1.00 29.11 C ATOM 795 CG ASP A 50 19.728 4.440 5.767 1.00 30.37 C ATOM 796 OD1 ASP A 50 20.478 4.836 4.890 1.00 33.99 O ATOM 797 OD2 ASP A 50 20.029 3.592 6.590 1.00 30.76 O ATOM 0 H ASP A 50 16.320 6.905 6.672 1.00 22.62 H new ATOM 0 HA ASP A 50 19.232 6.451 7.199 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.664 4.387 6.407 1.00 29.11 H new ATOM 0 HB3 ASP A 50 17.903 5.133 4.839 1.00 29.11 H new ATOM 802 N GLU A 51 19.602 7.363 4.631 1.00 31.16 N ATOM 803 CA GLU A 51 19.851 8.372 3.567 1.00 34.22 C ATOM 804 C GLU A 51 20.301 9.685 4.203 1.00 34.98 C ATOM 805 O GLU A 51 19.608 10.682 4.159 1.00 34.19 O ATOM 806 CB GLU A 51 18.577 8.603 2.762 1.00 38.24 C ATOM 807 CG GLU A 51 18.966 9.030 1.352 1.00 46.84 C ATOM 808 CD GLU A 51 17.706 9.244 0.511 1.00 51.38 C ATOM 809 OE1 GLU A 51 17.037 10.242 0.725 1.00 54.92 O ATOM 810 OE2 GLU A 51 17.431 8.407 -0.332 1.00 53.83 O ATOM 0 H GLU A 51 20.275 6.597 4.667 1.00 31.16 H new ATOM 0 HA GLU A 51 20.632 8.005 2.901 1.00 34.22 H new ATOM 0 HB2 GLU A 51 17.979 7.692 2.730 1.00 38.24 H new ATOM 0 HB3 GLU A 51 17.964 9.371 3.235 1.00 38.24 H new ATOM 0 HG2 GLU A 51 19.551 9.949 1.388 1.00 46.84 H new ATOM 0 HG3 GLU A 51 19.597 8.269 0.892 1.00 46.84 H new ATOM 817 N GLY A 52 21.466 9.685 4.784 1.00 34.53 N ATOM 818 CA GLY A 52 22.000 10.923 5.428 1.00 34.93 C ATOM 819 C GLY A 52 20.875 11.692 6.129 1.00 36.10 C ATOM 820 O GLY A 52 20.939 12.897 6.268 1.00 35.97 O ATOM 0 H GLY A 52 22.080 8.873 4.843 1.00 34.53 H new ATOM 0 HA2 GLY A 52 22.773 10.660 6.150 1.00 34.93 H new ATOM 0 HA3 GLY A 52 22.469 11.558 4.676 1.00 34.93 H new ATOM 824 N GLN A 53 19.845 11.019 6.571 1.00 36.52 N ATOM 825 CA GLN A 53 18.738 11.743 7.253 1.00 35.40 C ATOM 826 C GLN A 53 18.794 11.480 8.763 1.00 31.02 C ATOM 827 O GLN A 53 18.791 10.342 9.187 1.00 29.05 O ATOM 828 CB GLN A 53 17.398 11.252 6.710 1.00 41.20 C ATOM 829 CG GLN A 53 16.897 12.235 5.656 1.00 47.61 C ATOM 830 CD GLN A 53 15.625 11.686 5.006 1.00 53.32 C ATOM 831 OE1 GLN A 53 14.652 12.397 4.854 1.00 53.91 O ATOM 832 NE2 GLN A 53 15.592 10.441 4.615 1.00 54.76 N ATOM 0 H GLN A 53 19.725 10.009 6.489 1.00 36.52 H new ATOM 0 HA GLN A 53 18.844 12.812 7.067 1.00 35.40 H new ATOM 0 HB2 GLN A 53 17.509 10.259 6.275 1.00 41.20 H new ATOM 0 HB3 GLN A 53 16.673 11.166 7.519 1.00 41.20 H new ATOM 0 HG2 GLN A 53 16.695 13.203 6.114 1.00 47.61 H new ATOM 0 HG3 GLN A 53 17.665 12.395 4.899 1.00 47.61 H new ATOM 0 HE21 GLN A 53 16.409 9.844 4.743 1.00 54.76 H new ATOM 0 HE22 GLN A 53 14.749 10.065 4.182 1.00 54.76 H new ATOM 841 N PRO A 54 18.832 12.540 9.534 1.00 27.43 N ATOM 842 CA PRO A 54 18.874 12.444 11.001 1.00 23.44 C ATOM 843 C PRO A 54 17.473 12.150 11.538 1.00 20.14 C ATOM 844 O PRO A 54 16.487 12.585 10.976 1.00 21.64 O ATOM 845 CB PRO A 54 19.350 13.826 11.442 1.00 24.39 C ATOM 846 CG PRO A 54 19.013 14.789 10.285 1.00 27.18 C ATOM 847 CD PRO A 54 18.837 13.925 9.023 1.00 28.37 C ATOM 0 HA PRO A 54 19.522 11.648 11.367 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.852 14.134 12.362 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.421 13.822 11.645 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.103 15.348 10.500 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.810 15.519 10.145 1.00 27.18 H new ATOM 0 HD2 PRO A 54 17.908 14.162 8.504 1.00 28.37 H new ATOM 0 HD3 PRO A 54 19.649 14.085 8.313 1.00 28.37 H new ATOM 855 N ALA A 55 17.375 11.403 12.607 1.00 17.21 N ATOM 856 CA ALA A 55 16.038 11.068 13.171 1.00 15.58 C ATOM 857 C ALA A 55 15.094 12.267 13.060 1.00 16.41 C ATOM 858 O ALA A 55 15.492 13.404 13.218 1.00 13.65 O ATOM 859 CB ALA A 55 16.194 10.686 14.641 1.00 13.98 C ATOM 0 H ALA A 55 18.168 11.010 13.114 1.00 17.21 H new ATOM 0 HA ALA A 55 15.617 10.234 12.609 1.00 15.58 H new ATOM 0 HB1 ALA A 55 15.218 10.440 15.059 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.853 9.822 14.724 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.623 11.524 15.191 1.00 13.98 H new ATOM 865 N TYR A 56 13.843 12.014 12.794 1.00 15.93 N ATOM 866 CA TYR A 56 12.861 13.125 12.675 1.00 14.61 C ATOM 867 C TYR A 56 12.835 13.917 13.981 1.00 15.51 C ATOM 868 O TYR A 56 12.327 13.463 14.986 1.00 17.19 O ATOM 869 CB TYR A 56 11.475 12.546 12.384 1.00 12.92 C ATOM 870 CG TYR A 56 11.490 11.904 11.015 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.009 10.611 10.859 1.00 7.14 C ATOM 872 CD2 TYR A 56 11.014 12.605 9.903 1.00 12.42 C ATOM 873 CE1 TYR A 56 12.048 10.022 9.592 1.00 7.90 C ATOM 874 CE2 TYR A 56 11.050 12.012 8.634 1.00 11.47 C ATOM 875 CZ TYR A 56 11.568 10.721 8.480 1.00 10.29 C ATOM 876 OH TYR A 56 11.607 10.138 7.229 1.00 12.03 O ATOM 0 H TYR A 56 13.458 11.080 12.653 1.00 15.93 H new ATOM 0 HA TYR A 56 13.149 13.789 11.860 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.207 11.810 13.142 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.722 13.333 12.423 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.379 10.070 11.718 1.00 7.14 H new ATOM 0 HD2 TYR A 56 10.619 13.603 10.022 1.00 12.42 H new ATOM 0 HE1 TYR A 56 12.449 9.026 9.472 1.00 7.90 H new ATOM 0 HE2 TYR A 56 10.678 12.551 7.775 1.00 11.47 H new ATOM 0 HH TYR A 56 11.234 10.758 6.568 1.00 12.03 H new ATOM 886 N ALA A 57 13.384 15.099 13.979 1.00 13.38 N ATOM 887 CA ALA A 57 13.388 15.913 15.223 1.00 14.95 C ATOM 888 C ALA A 57 11.945 16.114 15.691 1.00 15.46 C ATOM 889 O ALA A 57 11.016 15.743 15.002 1.00 17.82 O ATOM 890 CB ALA A 57 14.030 17.273 14.945 1.00 14.98 C ATOM 0 H ALA A 57 13.829 15.535 13.171 1.00 13.38 H new ATOM 0 HA ALA A 57 13.959 15.400 15.997 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.032 17.868 15.858 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.055 17.129 14.604 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.461 17.793 14.174 1.00 14.98 H new ATOM 896 N PRO A 58 11.801 16.698 16.850 1.00 15.20 N ATOM 897 CA PRO A 58 10.481 16.966 17.441 1.00 16.55 C ATOM 898 C PRO A 58 9.850 18.197 16.783 1.00 16.75 C ATOM 899 O PRO A 58 10.274 19.314 17.004 1.00 17.28 O ATOM 900 CB PRO A 58 10.797 17.234 18.914 1.00 15.65 C ATOM 901 CG PRO A 58 12.283 17.663 18.971 1.00 14.16 C ATOM 902 CD PRO A 58 12.939 17.145 17.679 1.00 13.96 C ATOM 0 HA PRO A 58 9.772 16.149 17.306 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.151 18.016 19.314 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.627 16.342 19.516 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.371 18.747 19.043 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.774 17.245 19.850 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.511 17.928 17.181 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.629 16.326 17.883 1.00 13.96 H new ATOM 910 N GLY A 59 8.844 18.004 15.973 1.00 17.22 N ATOM 911 CA GLY A 59 8.200 19.170 15.306 1.00 15.08 C ATOM 912 C GLY A 59 6.995 18.703 14.486 1.00 14.96 C ATOM 913 O GLY A 59 6.692 17.529 14.424 1.00 13.79 O ATOM 0 H GLY A 59 8.443 17.094 15.746 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.882 19.897 16.053 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.919 19.672 14.658 1.00 15.08 H new ATOM 917 N LEU A 60 6.312 19.617 13.848 1.00 15.83 N ATOM 918 CA LEU A 60 5.137 19.237 13.015 1.00 14.53 C ATOM 919 C LEU A 60 5.641 18.651 11.699 1.00 14.15 C ATOM 920 O LEU A 60 6.573 19.161 11.112 1.00 13.27 O ATOM 921 CB LEU A 60 4.307 20.487 12.719 1.00 15.84 C ATOM 922 CG LEU A 60 2.838 20.209 13.020 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.076 21.532 13.113 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.242 19.352 11.900 1.00 15.01 C ATOM 0 H LEU A 60 6.520 20.615 13.869 1.00 15.83 H new ATOM 0 HA LEU A 60 4.525 18.506 13.543 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.661 21.322 13.323 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.426 20.776 11.675 1.00 15.84 H new ATOM 0 HG LEU A 60 2.755 19.677 13.968 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.026 21.333 13.328 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.501 22.141 13.911 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.157 22.066 12.166 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.192 19.153 12.114 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.325 19.884 10.952 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.785 18.409 11.836 1.00 15.01 H new ATOM 936 N TYR A 61 5.052 17.590 11.221 1.00 11.12 N ATOM 937 CA TYR A 61 5.538 17.009 9.944 1.00 9.57 C ATOM 938 C TYR A 61 4.408 16.806 8.960 1.00 11.76 C ATOM 939 O TYR A 61 3.242 16.770 9.301 1.00 11.26 O ATOM 940 CB TYR A 61 6.199 15.663 10.198 1.00 9.42 C ATOM 941 CG TYR A 61 7.595 15.893 10.692 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.802 16.378 11.983 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.682 15.630 9.851 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.100 16.600 12.441 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.981 15.851 10.308 1.00 13.99 C ATOM 946 CZ TYR A 61 10.188 16.336 11.602 1.00 11.06 C ATOM 947 OH TYR A 61 11.473 16.542 12.063 1.00 14.61 O ATOM 0 H TYR A 61 4.265 17.107 11.655 1.00 11.12 H new ATOM 0 HA TYR A 61 6.255 17.713 9.522 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.628 15.095 10.933 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.216 15.073 9.282 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.959 16.581 12.627 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.516 15.257 8.851 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.265 16.975 13.440 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.824 15.648 9.664 1.00 13.99 H new ATOM 0 HH TYR A 61 11.485 16.470 13.040 1.00 14.61 H new ATOM 957 N THR A 62 4.779 16.632 7.735 1.00 12.22 N ATOM 958 CA THR A 62 3.800 16.378 6.669 1.00 14.26 C ATOM 959 C THR A 62 4.435 15.361 5.748 1.00 15.40 C ATOM 960 O THR A 62 5.477 15.598 5.169 1.00 16.24 O ATOM 961 CB THR A 62 3.505 17.658 5.906 1.00 15.07 C ATOM 962 OG1 THR A 62 4.663 18.061 5.189 1.00 18.36 O ATOM 963 CG2 THR A 62 3.104 18.746 6.897 1.00 11.61 C ATOM 0 H THR A 62 5.750 16.657 7.422 1.00 12.22 H new ATOM 0 HA THR A 62 2.857 16.015 7.077 1.00 14.26 H new ATOM 0 HB THR A 62 2.691 17.490 5.201 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.405 18.671 4.467 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.890 19.669 6.358 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.215 18.431 7.443 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.920 18.917 7.599 1.00 11.61 H new ATOM 971 N VAL A 63 3.849 14.221 5.630 1.00 14.65 N ATOM 972 CA VAL A 63 4.465 13.191 4.770 1.00 15.17 C ATOM 973 C VAL A 63 4.792 13.808 3.417 1.00 14.24 C ATOM 974 O VAL A 63 4.328 14.879 3.078 1.00 19.13 O ATOM 975 CB VAL A 63 3.526 12.006 4.606 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.345 10.786 4.199 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.818 11.725 5.937 1.00 18.64 C ATOM 0 H VAL A 63 2.976 13.954 6.086 1.00 14.65 H new ATOM 0 HA VAL A 63 5.383 12.829 5.233 1.00 15.17 H new ATOM 0 HB VAL A 63 2.780 12.226 3.843 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.684 9.928 4.078 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.854 10.988 3.257 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.083 10.569 4.971 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.145 10.876 5.819 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.560 11.497 6.703 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.245 12.603 6.237 1.00 18.64 H new ATOM 987 N HIS A 64 5.599 13.147 2.650 1.00 13.31 N ATOM 988 CA HIS A 64 5.978 13.695 1.321 1.00 10.78 C ATOM 989 C HIS A 64 5.737 12.629 0.253 1.00 14.19 C ATOM 990 O HIS A 64 6.184 11.501 0.378 1.00 11.59 O ATOM 991 CB HIS A 64 7.460 14.079 1.332 1.00 11.86 C ATOM 992 CG HIS A 64 7.715 15.162 0.316 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.088 15.183 -0.920 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.543 16.258 0.331 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.545 16.250 -1.592 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.435 16.943 -0.876 1.00 20.65 N ATOM 0 H HIS A 64 6.017 12.246 2.883 1.00 13.31 H new ATOM 0 HA HIS A 64 5.377 14.578 1.102 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.748 14.424 2.325 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.073 13.206 1.108 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.181 16.545 1.154 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.232 16.517 -2.591 1.00 19.32 H new ATOM 0 HE2 HIS A 64 8.929 17.791 -1.154 1.00 20.65 H new ATOM 1004 N LEU A 65 5.039 12.976 -0.799 1.00 12.93 N ATOM 1005 CA LEU A 65 4.774 11.985 -1.874 1.00 14.44 C ATOM 1006 C LEU A 65 6.054 11.723 -2.671 1.00 12.66 C ATOM 1007 O LEU A 65 6.055 10.948 -3.607 1.00 10.20 O ATOM 1008 CB LEU A 65 3.683 12.508 -2.810 1.00 14.94 C ATOM 1009 CG LEU A 65 4.257 13.598 -3.692 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.295 13.113 -5.143 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.393 14.854 -3.589 1.00 19.03 C ATOM 0 H LEU A 65 4.643 13.903 -0.956 1.00 12.93 H new ATOM 0 HA LEU A 65 4.439 11.053 -1.419 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.295 11.695 -3.424 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.846 12.897 -2.230 1.00 14.94 H new ATOM 0 HG LEU A 65 5.269 13.834 -3.363 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.708 13.897 -5.778 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.920 12.223 -5.213 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.284 12.873 -5.473 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.809 15.635 -4.225 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.378 14.625 -3.913 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.374 15.199 -2.555 1.00 19.03 H new ATOM 1023 N SER A 66 7.155 12.329 -2.300 1.00 13.51 N ATOM 1024 CA SER A 66 8.410 12.056 -3.041 1.00 10.39 C ATOM 1025 C SER A 66 8.665 10.553 -2.949 1.00 8.56 C ATOM 1026 O SER A 66 9.408 9.978 -3.719 1.00 11.70 O ATOM 1027 CB SER A 66 9.570 12.818 -2.399 1.00 12.88 C ATOM 1028 OG SER A 66 10.765 12.061 -2.540 1.00 14.72 O ATOM 0 H SER A 66 7.233 12.990 -1.527 1.00 13.51 H new ATOM 0 HA SER A 66 8.326 12.376 -4.080 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.686 13.793 -2.872 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.362 12.998 -1.344 1.00 12.88 H new ATOM 0 HG SER A 66 11.511 12.548 -2.131 1.00 14.72 H new ATOM 1034 N SER A 67 8.034 9.919 -1.993 1.00 7.98 N ATOM 1035 CA SER A 67 8.203 8.456 -1.808 1.00 8.20 C ATOM 1036 C SER A 67 7.063 7.706 -2.508 1.00 11.02 C ATOM 1037 O SER A 67 7.082 6.496 -2.615 1.00 11.45 O ATOM 1038 CB SER A 67 8.166 8.131 -0.315 1.00 8.01 C ATOM 1039 OG SER A 67 9.075 8.979 0.373 1.00 11.22 O ATOM 0 H SER A 67 7.402 10.364 -1.327 1.00 7.98 H new ATOM 0 HA SER A 67 9.157 8.149 -2.236 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.157 8.269 0.074 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.431 7.086 -0.152 1.00 8.01 H new ATOM 0 HG SER A 67 9.643 8.440 0.963 1.00 11.22 H new ATOM 1045 N PHE A 68 6.059 8.409 -2.964 1.00 10.09 N ATOM 1046 CA PHE A 68 4.912 7.727 -3.629 1.00 11.79 C ATOM 1047 C PHE A 68 5.290 7.346 -5.058 1.00 12.69 C ATOM 1048 O PHE A 68 6.143 7.954 -5.673 1.00 14.25 O ATOM 1049 CB PHE A 68 3.703 8.671 -3.654 1.00 10.08 C ATOM 1050 CG PHE A 68 3.396 9.160 -2.256 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.121 8.684 -1.150 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.400 10.127 -2.071 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.845 9.176 0.128 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.131 10.620 -0.792 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.854 10.145 0.306 1.00 11.87 C ATOM 0 H PHE A 68 5.985 9.425 -2.904 1.00 10.09 H new ATOM 0 HA PHE A 68 4.661 6.824 -3.073 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.908 9.519 -4.307 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.836 8.154 -4.065 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.890 7.939 -1.288 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.839 10.492 -2.919 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.398 8.807 0.979 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.365 11.368 -0.652 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.646 10.528 1.294 1.00 11.87 H new ATOM 1065 N LYS A 69 4.655 6.341 -5.588 1.00 12.51 N ATOM 1066 CA LYS A 69 4.963 5.909 -6.978 1.00 15.38 C ATOM 1067 C LYS A 69 3.771 5.142 -7.540 1.00 15.02 C ATOM 1068 O LYS A 69 2.755 4.985 -6.891 1.00 15.36 O ATOM 1069 CB LYS A 69 6.194 5.001 -6.974 1.00 16.04 C ATOM 1070 CG LYS A 69 7.429 5.813 -7.368 1.00 20.35 C ATOM 1071 CD LYS A 69 8.676 4.931 -7.271 1.00 21.35 C ATOM 1072 CE LYS A 69 9.561 5.419 -6.123 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.905 5.788 -6.652 1.00 32.70 N ATOM 0 H LYS A 69 3.932 5.797 -5.116 1.00 12.51 H new ATOM 0 HA LYS A 69 5.163 6.785 -7.595 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.333 4.564 -5.985 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.052 4.175 -7.670 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.318 6.193 -8.384 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.532 6.679 -6.713 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.388 3.893 -7.105 1.00 21.35 H new ATOM 0 HD3 LYS A 69 9.230 4.962 -8.209 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.102 6.279 -5.636 1.00 30.24 H new ATOM 0 HE3 LYS A 69 9.658 4.639 -5.368 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 11.506 6.120 -5.871 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 11.343 4.956 -7.097 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 10.804 6.546 -7.357 1.00 32.70 H new ATOM 1087 N VAL A 70 3.888 4.663 -8.742 1.00 13.65 N ATOM 1088 CA VAL A 70 2.763 3.903 -9.354 1.00 13.49 C ATOM 1089 C VAL A 70 3.154 2.428 -9.461 1.00 11.85 C ATOM 1090 O VAL A 70 3.955 2.045 -10.290 1.00 12.13 O ATOM 1091 CB VAL A 70 2.445 4.451 -10.748 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.934 4.636 -10.882 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.143 5.801 -10.965 1.00 15.63 C ATOM 0 H VAL A 70 4.715 4.764 -9.331 1.00 13.65 H new ATOM 0 HA VAL A 70 1.878 4.009 -8.727 1.00 13.49 H new ATOM 0 HB VAL A 70 2.804 3.745 -11.497 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.702 5.026 -11.873 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.436 3.676 -10.744 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.585 5.338 -10.125 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.907 6.177 -11.961 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.797 6.514 -10.216 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.221 5.672 -10.872 1.00 15.63 H new ATOM 1103 N GLY A 71 2.600 1.600 -8.618 1.00 11.15 N ATOM 1104 CA GLY A 71 2.942 0.149 -8.656 1.00 11.07 C ATOM 1105 C GLY A 71 2.139 -0.549 -9.755 1.00 12.15 C ATOM 1106 O GLY A 71 1.723 0.062 -10.719 1.00 12.70 O ATOM 0 H GLY A 71 1.923 1.866 -7.903 1.00 11.15 H new ATOM 0 HA2 GLY A 71 4.009 0.023 -8.838 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.727 -0.309 -7.691 1.00 11.07 H new ATOM 1110 N GLN A 72 1.923 -1.830 -9.618 1.00 15.78 N ATOM 1111 CA GLN A 72 1.155 -2.575 -10.650 1.00 19.42 C ATOM 1112 C GLN A 72 -0.297 -2.735 -10.196 1.00 16.97 C ATOM 1113 O GLN A 72 -0.890 -3.785 -10.341 1.00 20.46 O ATOM 1114 CB GLN A 72 1.783 -3.957 -10.849 1.00 22.64 C ATOM 1115 CG GLN A 72 1.185 -4.617 -12.092 1.00 25.29 C ATOM 1116 CD GLN A 72 1.325 -3.674 -13.288 1.00 26.29 C ATOM 1117 OE1 GLN A 72 2.291 -3.744 -14.022 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.395 -2.788 -13.517 1.00 25.15 N ATOM 0 H GLN A 72 2.248 -2.392 -8.831 1.00 15.78 H new ATOM 0 HA GLN A 72 1.179 -2.023 -11.589 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.864 -3.864 -10.958 1.00 22.64 H new ATOM 0 HB3 GLN A 72 1.603 -4.579 -9.972 1.00 22.64 H new ATOM 0 HG2 GLN A 72 1.694 -5.559 -12.297 1.00 25.29 H new ATOM 0 HG3 GLN A 72 0.134 -4.852 -11.922 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -0.416 -2.729 -12.901 1.00 25.15 H new ATOM 0 HE22 GLN A 72 0.479 -2.154 -14.312 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.876 -1.703 -9.647 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.290 -1.802 -9.185 1.00 14.60 C ATOM 1129 C PHE A 73 -3.098 -0.633 -9.750 1.00 15.63 C ATOM 1130 O PHE A 73 -4.131 -0.267 -9.226 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.330 -1.756 -7.659 1.00 12.63 C ATOM 1132 CG PHE A 73 -2.462 -3.159 -7.120 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -1.352 -4.013 -7.110 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -3.694 -3.607 -6.631 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -1.475 -5.315 -6.610 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -3.817 -4.909 -6.131 1.00 20.44 C ATOM 1137 CZ PHE A 73 -2.708 -5.763 -6.121 1.00 17.88 C ATOM 0 H PHE A 73 -0.432 -0.797 -9.498 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.720 -2.741 -9.534 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.423 -1.290 -7.274 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.168 -1.145 -7.324 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -0.401 -3.667 -7.488 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -4.550 -2.949 -6.639 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -0.619 -5.974 -6.602 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -4.768 -5.255 -5.753 1.00 20.44 H new ATOM 0 HZ PHE A 73 -2.803 -6.768 -5.736 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.636 -0.045 -10.817 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.375 1.100 -11.421 1.00 13.44 C ATOM 1149 C GLY A 74 -3.820 2.063 -10.319 1.00 10.42 C ATOM 1150 O GLY A 74 -4.978 2.418 -10.222 1.00 13.62 O ATOM 0 H GLY A 74 -1.776 -0.308 -11.299 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.738 1.620 -12.137 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.242 0.736 -11.972 1.00 13.44 H new ATOM 1154 N SER A 75 -2.909 2.489 -9.489 1.00 12.64 N ATOM 1155 CA SER A 75 -3.280 3.430 -8.394 1.00 12.47 C ATOM 1156 C SER A 75 -2.023 3.835 -7.623 1.00 12.47 C ATOM 1157 O SER A 75 -1.239 3.001 -7.216 1.00 11.32 O ATOM 1158 CB SER A 75 -4.263 2.746 -7.443 1.00 11.21 C ATOM 1159 OG SER A 75 -4.415 3.540 -6.274 1.00 18.27 O ATOM 0 H SER A 75 -1.924 2.227 -9.521 1.00 12.64 H new ATOM 0 HA SER A 75 -3.747 4.318 -8.821 1.00 12.47 H new ATOM 0 HB2 SER A 75 -5.227 2.612 -7.933 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.899 1.753 -7.178 1.00 11.21 H new ATOM 0 HG SER A 75 -5.046 3.105 -5.663 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.824 5.108 -7.418 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.617 5.562 -6.673 1.00 12.18 C ATOM 1167 C LEU A 76 -0.418 4.666 -5.442 1.00 12.07 C ATOM 1168 O LEU A 76 -1.330 3.999 -4.994 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.798 7.043 -6.275 1.00 11.99 C ATOM 1170 CG LEU A 76 -0.999 7.192 -4.763 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.972 8.675 -4.389 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -2.348 6.587 -4.368 1.00 7.80 C ATOM 0 H LEU A 76 -2.445 5.853 -7.734 1.00 12.43 H new ATOM 0 HA LEU A 76 0.273 5.483 -7.297 1.00 12.18 H new ATOM 0 HB2 LEU A 76 0.076 7.615 -6.586 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.656 7.461 -6.801 1.00 11.99 H new ATOM 0 HG LEU A 76 -0.200 6.672 -4.235 1.00 8.87 H new ATOM 0 HD11 LEU A 76 -1.115 8.782 -3.314 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.011 9.104 -4.672 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.771 9.197 -4.915 1.00 9.28 H new ATOM 0 HD21 LEU A 76 -2.493 6.692 -3.293 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -3.148 7.107 -4.895 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -2.365 5.530 -4.635 1.00 7.80 H new ATOM 1184 N MET A 77 0.767 4.642 -4.898 1.00 14.08 N ATOM 1185 CA MET A 77 1.020 3.786 -3.705 1.00 14.12 C ATOM 1186 C MET A 77 2.317 4.226 -3.024 1.00 11.37 C ATOM 1187 O MET A 77 3.383 4.173 -3.604 1.00 11.44 O ATOM 1188 CB MET A 77 1.153 2.326 -4.143 1.00 16.48 C ATOM 1189 CG MET A 77 -0.235 1.732 -4.381 1.00 24.75 C ATOM 1190 SD MET A 77 -0.219 -0.027 -3.955 1.00 35.11 S ATOM 1191 CE MET A 77 -1.693 -0.022 -2.905 1.00 33.86 C ATOM 0 H MET A 77 1.570 5.177 -5.227 1.00 14.08 H new ATOM 0 HA MET A 77 0.188 3.886 -3.007 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.748 2.262 -5.054 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.678 1.753 -3.379 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.975 2.257 -3.777 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.524 1.862 -5.424 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.873 -1.028 -2.526 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.541 0.659 -2.068 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.554 0.306 -3.488 1.00 33.86 H new ATOM 1201 N ILE A 78 2.237 4.654 -1.795 1.00 11.78 N ATOM 1202 CA ILE A 78 3.471 5.087 -1.081 1.00 11.62 C ATOM 1203 C ILE A 78 4.508 3.964 -1.136 1.00 11.45 C ATOM 1204 O ILE A 78 4.196 2.805 -0.944 1.00 12.59 O ATOM 1205 CB ILE A 78 3.153 5.376 0.384 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.321 6.655 0.500 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.456 5.537 1.172 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.962 6.324 1.122 1.00 13.67 C ATOM 0 H ILE A 78 1.374 4.723 -1.255 1.00 11.78 H new ATOM 0 HA ILE A 78 3.857 5.987 -1.560 1.00 11.62 H new ATOM 0 HB ILE A 78 2.582 4.543 0.793 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.845 7.388 1.113 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.183 7.103 -0.484 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.226 5.743 2.217 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.039 4.618 1.103 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.032 6.364 0.757 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.368 7.234 1.205 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.438 5.606 0.491 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.110 5.896 2.113 1.00 13.67 H new ATOM 1220 N ASP A 79 5.739 4.304 -1.367 1.00 10.05 N ATOM 1221 CA ASP A 79 6.810 3.267 -1.402 1.00 14.79 C ATOM 1222 C ASP A 79 7.628 3.389 -0.117 1.00 15.20 C ATOM 1223 O ASP A 79 8.085 2.417 0.450 1.00 18.10 O ATOM 1224 CB ASP A 79 7.713 3.491 -2.617 1.00 12.21 C ATOM 1225 CG ASP A 79 7.408 2.434 -3.681 1.00 17.52 C ATOM 1226 OD1 ASP A 79 6.276 2.386 -4.134 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.313 1.691 -4.025 1.00 21.87 O ATOM 0 H ASP A 79 6.056 5.259 -1.534 1.00 10.05 H new ATOM 0 HA ASP A 79 6.371 2.272 -1.478 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.552 4.489 -3.024 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.760 3.433 -2.321 1.00 12.21 H new ATOM 1232 N ARG A 80 7.783 4.593 0.345 1.00 17.08 N ATOM 1233 CA ARG A 80 8.534 4.853 1.601 1.00 17.14 C ATOM 1234 C ARG A 80 8.306 6.314 1.967 1.00 14.98 C ATOM 1235 O ARG A 80 9.195 7.140 1.906 1.00 16.47 O ATOM 1236 CB ARG A 80 10.026 4.581 1.394 1.00 17.78 C ATOM 1237 CG ARG A 80 10.626 4.005 2.678 1.00 22.76 C ATOM 1238 CD ARG A 80 11.475 5.075 3.369 1.00 28.43 C ATOM 1239 NE ARG A 80 12.920 4.764 3.175 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.825 5.675 3.414 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.470 6.861 3.829 1.00 33.12 N ATOM 1242 NH2 ARG A 80 15.089 5.399 3.239 1.00 35.04 N ATOM 0 H ARG A 80 7.412 5.429 -0.106 1.00 17.08 H new ATOM 0 HA ARG A 80 8.188 4.198 2.401 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.168 3.882 0.569 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.540 5.503 1.122 1.00 17.78 H new ATOM 0 HG2 ARG A 80 9.832 3.669 3.345 1.00 22.76 H new ATOM 0 HG3 ARG A 80 11.238 3.133 2.447 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.245 6.058 2.958 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.239 5.111 4.433 1.00 28.43 H new ATOM 0 HE ARG A 80 13.203 3.838 2.855 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.483 7.079 3.968 1.00 33.12 H new ATOM 0 HH12 ARG A 80 14.180 7.570 4.015 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.369 4.473 2.916 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.797 6.110 3.425 1.00 35.04 H new ATOM 1256 N LEU A 81 7.088 6.616 2.308 1.00 11.03 N ATOM 1257 CA LEU A 81 6.680 8.003 2.657 1.00 11.27 C ATOM 1258 C LEU A 81 7.851 8.817 3.229 1.00 15.61 C ATOM 1259 O LEU A 81 8.423 8.479 4.246 1.00 18.56 O ATOM 1260 CB LEU A 81 5.519 7.919 3.654 1.00 13.62 C ATOM 1261 CG LEU A 81 6.026 8.028 5.088 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.829 8.064 6.041 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.894 6.804 5.404 1.00 18.72 C ATOM 0 H LEU A 81 6.331 5.934 2.361 1.00 11.03 H new ATOM 0 HA LEU A 81 6.361 8.526 1.756 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.804 8.718 3.455 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.988 6.976 3.522 1.00 13.62 H new ATOM 0 HG LEU A 81 6.615 8.937 5.208 1.00 12.84 H new ATOM 0 HD11 LEU A 81 5.184 8.142 7.069 1.00 11.44 H new ATOM 0 HD12 LEU A 81 4.203 8.925 5.807 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.246 7.150 5.927 1.00 11.44 H new ATOM 0 HD21 LEU A 81 7.261 6.873 6.428 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.299 5.897 5.292 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.739 6.770 4.717 1.00 18.72 H new ATOM 1275 N ARG A 82 8.199 9.899 2.585 1.00 13.37 N ATOM 1276 CA ARG A 82 9.313 10.744 3.099 1.00 12.72 C ATOM 1277 C ARG A 82 8.726 11.816 4.019 1.00 13.33 C ATOM 1278 O ARG A 82 8.158 12.792 3.569 1.00 13.27 O ATOM 1279 CB ARG A 82 10.045 11.406 1.929 1.00 13.85 C ATOM 1280 CG ARG A 82 11.545 11.126 2.045 1.00 16.22 C ATOM 1281 CD ARG A 82 12.319 12.444 1.990 1.00 16.62 C ATOM 1282 NE ARG A 82 13.404 12.340 0.974 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.007 13.416 0.544 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.666 14.589 1.006 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.953 13.319 -0.350 1.00 16.89 N ATOM 0 H ARG A 82 7.760 10.233 1.727 1.00 13.37 H new ATOM 0 HA ARG A 82 10.023 10.129 3.651 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.664 11.022 0.983 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.863 12.481 1.933 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.757 10.607 2.980 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.866 10.470 1.236 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.646 13.263 1.737 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.743 12.671 2.968 1.00 16.62 H new ATOM 0 HE ARG A 82 13.677 11.426 0.613 1.00 15.85 H new ATOM 0 HH11 ARG A 82 12.927 14.667 1.705 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.139 15.427 0.668 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.221 12.404 -0.712 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.425 14.158 -0.687 1.00 16.89 H new ATOM 1299 N LEU A 83 8.837 11.628 5.304 1.00 13.53 N ATOM 1300 CA LEU A 83 8.264 12.620 6.261 1.00 13.86 C ATOM 1301 C LEU A 83 9.062 13.921 6.236 1.00 13.02 C ATOM 1302 O LEU A 83 10.274 13.926 6.167 1.00 14.40 O ATOM 1303 CB LEU A 83 8.311 12.060 7.682 1.00 9.93 C ATOM 1304 CG LEU A 83 6.899 11.932 8.254 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.991 11.722 9.769 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.115 13.214 7.967 1.00 10.58 C ATOM 0 H LEU A 83 9.301 10.829 5.736 1.00 13.53 H new ATOM 0 HA LEU A 83 7.234 12.816 5.962 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.798 11.085 7.679 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.909 12.713 8.317 1.00 9.93 H new ATOM 0 HG LEU A 83 6.390 11.085 7.793 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.988 11.630 10.185 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.555 10.813 9.977 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.496 12.574 10.224 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.108 13.124 8.374 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.620 14.061 8.432 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.058 13.372 6.890 1.00 10.58 H new ATOM 1318 N VAL A 84 8.377 15.024 6.321 1.00 11.81 N ATOM 1319 CA VAL A 84 9.054 16.339 6.335 1.00 12.86 C ATOM 1320 C VAL A 84 8.322 17.231 7.342 1.00 14.98 C ATOM 1321 O VAL A 84 7.130 17.096 7.519 1.00 13.59 O ATOM 1322 CB VAL A 84 8.972 16.956 4.940 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.667 16.038 3.931 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.504 17.132 4.543 1.00 17.34 C ATOM 0 H VAL A 84 7.360 15.066 6.382 1.00 11.81 H new ATOM 0 HA VAL A 84 10.102 16.236 6.616 1.00 12.86 H new ATOM 0 HB VAL A 84 9.466 17.928 4.946 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.608 16.480 2.936 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.713 15.915 4.211 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.176 15.065 3.926 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.447 17.572 3.548 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.009 16.161 4.539 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.010 17.788 5.259 1.00 17.34 H new ATOM 1334 N PRO A 85 9.042 18.123 7.965 1.00 18.65 N ATOM 1335 CA PRO A 85 8.458 19.051 8.947 1.00 22.41 C ATOM 1336 C PRO A 85 7.426 19.962 8.269 1.00 25.70 C ATOM 1337 O PRO A 85 7.603 20.389 7.145 1.00 22.08 O ATOM 1338 CB PRO A 85 9.664 19.815 9.493 1.00 21.19 C ATOM 1339 CG PRO A 85 10.777 19.644 8.448 1.00 18.95 C ATOM 1340 CD PRO A 85 10.483 18.310 7.741 1.00 20.63 C ATOM 0 HA PRO A 85 7.910 18.557 9.749 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.425 20.868 9.641 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.972 19.419 10.461 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.778 20.471 7.738 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.759 19.628 8.921 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.723 18.356 6.679 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.066 17.492 8.165 1.00 20.63 H new ATOM 1348 N ALA A 86 6.339 20.244 8.940 1.00 31.74 N ATOM 1349 CA ALA A 86 5.280 21.103 8.335 1.00 39.94 C ATOM 1350 C ALA A 86 5.772 22.549 8.271 1.00 46.96 C ATOM 1351 O ALA A 86 5.885 23.223 9.276 1.00 49.29 O ATOM 1352 CB ALA A 86 4.014 21.027 9.193 1.00 39.70 C ATOM 0 H ALA A 86 6.140 19.914 9.884 1.00 31.74 H new ATOM 0 HA ALA A 86 5.056 20.753 7.327 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.238 21.654 8.753 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.665 19.995 9.237 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.236 21.378 10.201 1.00 39.70 H new ATOM 1358 N LYS A 87 6.066 23.030 7.096 1.00 51.78 N ATOM 1359 CA LYS A 87 6.552 24.432 6.964 1.00 55.12 C ATOM 1360 C LYS A 87 5.370 25.354 6.661 1.00 55.82 C ATOM 1361 O LYS A 87 5.594 26.397 6.068 1.00 58.05 O ATOM 1362 CB LYS A 87 7.569 24.514 5.823 1.00 52.96 C ATOM 1363 CG LYS A 87 8.876 23.844 6.253 1.00 55.49 C ATOM 1364 CD LYS A 87 9.525 24.661 7.371 1.00 56.64 C ATOM 1365 CE LYS A 87 11.040 24.699 7.163 1.00 58.91 C ATOM 1366 NZ LYS A 87 11.640 25.728 8.060 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.260 25.002 7.027 1.00 57.66 O ATOM 0 H LYS A 87 5.991 22.513 6.220 1.00 51.78 H new ATOM 0 HA LYS A 87 7.026 24.742 7.895 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.173 24.025 4.933 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.752 25.556 5.559 1.00 52.96 H new ATOM 0 HG2 LYS A 87 8.680 22.828 6.597 1.00 55.49 H new ATOM 0 HG3 LYS A 87 9.554 23.768 5.403 1.00 55.49 H new ATOM 0 HD2 LYS A 87 9.123 25.674 7.376 1.00 56.64 H new ATOM 0 HD3 LYS A 87 9.291 24.220 8.340 1.00 56.64 H new ATOM 0 HE2 LYS A 87 11.471 23.721 7.375 1.00 58.91 H new ATOM 0 HE3 LYS A 87 11.269 24.930 6.123 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 12.670 25.754 7.919 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 11.237 26.660 7.837 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 11.433 25.489 9.051 1.00 58.16 H new ATOM 1382 N MET B 1 2.693 18.147 -3.192 1.00 42.32 N ATOM 1383 CA MET B 1 1.301 17.826 -3.617 1.00 40.89 C ATOM 1384 C MET B 1 1.336 16.768 -4.719 1.00 34.75 C ATOM 1385 O MET B 1 1.857 16.996 -5.792 1.00 33.97 O ATOM 1386 CB MET B 1 0.624 19.092 -4.151 1.00 48.45 C ATOM 1387 CG MET B 1 -0.711 18.726 -4.812 1.00 56.13 C ATOM 1388 SD MET B 1 -2.062 19.542 -3.924 1.00 64.91 S ATOM 1389 CE MET B 1 -1.446 21.237 -4.083 1.00 63.43 C ATOM 0 H1 MET B 1 2.688 19.010 -2.611 1.00 42.32 H new ATOM 0 H2 MET B 1 3.077 17.357 -2.635 1.00 42.32 H new ATOM 0 H3 MET B 1 3.286 18.299 -4.033 1.00 42.32 H new ATOM 0 HA MET B 1 0.741 17.446 -2.763 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.456 19.797 -3.337 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.274 19.587 -4.872 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.709 19.035 -5.857 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.852 17.645 -4.799 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.286 21.919 -4.213 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.894 21.509 -3.183 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.786 21.305 -4.948 1.00 63.43 H new ATOM 1401 N ILE B 2 0.773 15.617 -4.469 1.00 28.59 N ATOM 1402 CA ILE B 2 0.761 14.553 -5.512 1.00 24.58 C ATOM 1403 C ILE B 2 0.034 15.101 -6.738 1.00 19.29 C ATOM 1404 O ILE B 2 -1.151 14.908 -6.909 1.00 19.53 O ATOM 1405 CB ILE B 2 0.025 13.324 -4.977 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.487 13.024 -3.555 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.330 12.117 -5.856 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.735 12.844 -2.663 1.00 33.80 C ATOM 0 H ILE B 2 0.322 15.368 -3.589 1.00 28.59 H new ATOM 0 HA ILE B 2 1.778 14.264 -5.777 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.046 13.525 -4.983 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.099 12.122 -3.541 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.109 13.838 -3.182 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.197 11.244 -5.471 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.002 12.318 -6.876 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.403 11.925 -5.851 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.413 12.629 -1.644 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.329 13.758 -2.671 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.338 12.016 -3.035 1.00 33.80 H new ATOM 1420 N LYS B 3 0.734 15.816 -7.573 1.00 18.14 N ATOM 1421 CA LYS B 3 0.093 16.425 -8.772 1.00 16.66 C ATOM 1422 C LYS B 3 -0.360 15.354 -9.762 1.00 14.94 C ATOM 1423 O LYS B 3 0.200 14.279 -9.844 1.00 13.94 O ATOM 1424 CB LYS B 3 1.091 17.360 -9.457 1.00 16.94 C ATOM 1425 CG LYS B 3 1.088 18.718 -8.752 1.00 17.85 C ATOM 1426 CD LYS B 3 2.013 19.684 -9.494 1.00 19.63 C ATOM 1427 CE LYS B 3 1.190 20.544 -10.454 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.379 21.522 -9.674 1.00 32.72 N ATOM 0 H LYS B 3 1.731 16.006 -7.476 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.785 16.982 -8.447 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.090 16.926 -9.428 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.827 17.483 -10.507 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.075 19.120 -8.720 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.418 18.604 -7.719 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.540 20.319 -8.782 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.770 19.127 -10.046 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.849 21.070 -11.144 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.537 19.912 -11.056 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.193 22.362 -10.258 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 -0.524 21.084 -9.400 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.901 21.803 -8.820 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.376 15.661 -10.522 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.892 14.698 -11.528 1.00 12.99 C ATOM 1444 C VAL B 4 -2.783 15.459 -12.516 1.00 14.26 C ATOM 1445 O VAL B 4 -3.139 16.599 -12.298 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.688 13.578 -10.821 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.324 14.110 -9.538 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.789 13.034 -11.745 1.00 10.41 C ATOM 0 H VAL B 4 -1.875 16.550 -10.486 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.066 14.235 -12.068 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.996 12.772 -10.576 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.882 13.311 -9.050 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.544 14.470 -8.867 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.001 14.929 -9.780 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.339 12.246 -11.231 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.473 13.840 -12.010 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.337 12.629 -12.650 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.136 14.836 -13.602 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.998 15.508 -14.613 1.00 10.51 C ATOM 1460 C GLU B 5 -4.994 14.504 -15.174 1.00 10.00 C ATOM 1461 O GLU B 5 -4.629 13.520 -15.785 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.129 16.046 -15.751 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.611 17.433 -15.378 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.849 18.033 -16.561 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.917 17.396 -17.025 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -2.210 19.119 -16.984 1.00 19.38 O ATOM 0 H GLU B 5 -2.863 13.882 -13.836 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.533 16.333 -14.142 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.294 15.371 -15.936 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.708 16.097 -16.673 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.443 18.081 -15.103 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.958 17.366 -14.508 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.254 14.748 -14.980 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.271 13.812 -15.520 1.00 10.60 C ATOM 1475 C ILE B 6 -7.376 14.052 -17.033 1.00 10.16 C ATOM 1476 O ILE B 6 -8.109 14.910 -17.485 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.614 14.078 -14.834 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.469 13.832 -13.325 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.683 13.152 -15.415 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.513 12.330 -13.022 1.00 13.81 C ATOM 0 H ILE B 6 -6.624 15.552 -14.473 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.990 12.775 -15.333 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.914 15.112 -15.004 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -7.529 14.254 -12.970 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -9.269 14.341 -12.788 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.637 13.345 -14.924 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.782 13.336 -16.485 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.394 12.114 -15.251 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.409 12.172 -11.949 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -9.465 11.919 -13.359 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -7.697 11.830 -13.543 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.625 13.316 -17.818 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.653 13.512 -19.293 1.00 11.59 C ATOM 1494 C LYS B 7 -8.098 13.645 -19.781 1.00 12.98 C ATOM 1495 O LYS B 7 -9.028 13.430 -19.029 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.982 12.309 -19.959 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.577 12.695 -20.441 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.829 13.475 -19.353 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.313 14.788 -19.936 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.290 15.879 -19.657 1.00 25.43 N ATOM 0 H LYS B 7 -5.992 12.585 -17.493 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.118 14.425 -19.554 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.919 11.480 -19.254 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.583 11.966 -20.801 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.017 11.797 -20.703 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.650 13.300 -21.345 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.492 13.674 -18.511 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.998 12.882 -18.971 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.344 15.034 -19.502 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.164 14.686 -21.011 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.789 16.789 -19.605 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.996 15.916 -20.420 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.768 15.694 -18.752 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.240 13.996 -21.035 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.561 14.168 -21.663 1.00 11.93 C ATOM 1516 C PRO B 8 -10.189 12.805 -21.929 1.00 10.20 C ATOM 1517 O PRO B 8 -11.394 12.647 -21.922 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.250 14.908 -22.967 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.762 14.628 -23.280 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.101 14.241 -21.944 1.00 13.61 C ATOM 0 HA PRO B 8 -10.272 14.714 -21.043 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.890 14.556 -23.776 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.430 15.978 -22.860 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.663 13.824 -24.009 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.283 15.508 -23.709 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.478 13.353 -22.050 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.458 15.039 -21.572 1.00 13.61 H new ATOM 1528 N SER B 9 -9.375 11.816 -22.140 1.00 10.65 N ATOM 1529 CA SER B 9 -9.908 10.451 -22.382 1.00 10.83 C ATOM 1530 C SER B 9 -10.265 9.818 -21.038 1.00 10.94 C ATOM 1531 O SER B 9 -10.838 8.749 -20.973 1.00 13.16 O ATOM 1532 CB SER B 9 -8.848 9.603 -23.085 1.00 13.01 C ATOM 1533 OG SER B 9 -9.478 8.765 -24.046 1.00 15.52 O ATOM 0 H SER B 9 -8.358 11.893 -22.156 1.00 10.65 H new ATOM 0 HA SER B 9 -10.795 10.505 -23.013 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.115 10.246 -23.572 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.308 8.998 -22.357 1.00 13.01 H new ATOM 0 HG SER B 9 -8.801 8.221 -24.500 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.932 10.479 -19.961 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.251 9.929 -18.617 1.00 11.55 C ATOM 1541 C GLN B 10 -11.193 10.888 -17.889 1.00 13.72 C ATOM 1542 O GLN B 10 -11.054 11.129 -16.708 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.969 9.772 -17.805 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.818 9.434 -18.745 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.061 8.075 -19.413 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -7.375 7.719 -20.350 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -9.011 7.294 -18.972 1.00 4.80 N ATOM 0 H GLN B 10 -9.451 11.379 -19.957 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.728 8.956 -18.731 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.753 10.693 -17.263 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -9.090 8.985 -17.061 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.720 10.209 -19.505 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.880 9.412 -18.190 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -9.590 7.589 -18.185 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -9.174 6.389 -19.414 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.144 11.448 -18.583 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.084 12.395 -17.919 1.00 18.95 C ATOM 1558 C ALA B 11 -14.425 11.703 -17.673 1.00 20.75 C ATOM 1559 O ALA B 11 -15.396 12.324 -17.288 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.294 13.617 -18.812 1.00 17.72 C ATOM 0 H ALA B 11 -12.311 11.292 -19.577 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.663 12.711 -16.965 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.982 14.309 -18.326 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.338 14.113 -18.980 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.712 13.302 -19.768 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.485 10.420 -17.890 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.757 9.681 -17.669 1.00 25.43 C ATOM 1568 C GLN B 12 -15.462 8.340 -17.001 1.00 22.80 C ATOM 1569 O GLN B 12 -14.519 7.658 -17.351 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.436 9.432 -19.013 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.373 10.593 -19.319 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.179 10.282 -20.583 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.697 9.610 -21.473 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.395 10.743 -20.701 1.00 47.90 N ATOM 0 H GLN B 12 -13.704 9.849 -18.212 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.411 10.271 -17.028 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.688 9.334 -19.800 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.993 8.496 -18.985 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -18.046 10.762 -18.478 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.800 11.510 -19.457 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.801 11.307 -19.955 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.939 10.539 -21.539 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.262 7.948 -16.049 1.00 21.61 N ATOM 1584 CA PHE B 13 -16.022 6.646 -15.379 1.00 20.51 C ATOM 1585 C PHE B 13 -16.819 5.566 -16.103 1.00 18.83 C ATOM 1586 O PHE B 13 -17.752 5.852 -16.826 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.482 6.724 -13.928 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.939 7.120 -13.899 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.933 6.157 -14.106 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.295 8.456 -13.672 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.282 6.530 -14.085 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.642 8.827 -13.652 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.635 7.866 -13.858 1.00 18.48 C ATOM 0 H PHE B 13 -17.068 8.473 -15.709 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.959 6.408 -15.407 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.343 5.761 -13.436 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.882 7.451 -13.381 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.660 5.127 -14.282 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.528 9.199 -13.512 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -21.050 5.788 -14.244 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.916 9.857 -13.477 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.676 8.154 -13.842 1.00 18.48 H new ATOM 1603 N THR B 14 -16.468 4.327 -15.917 1.00 14.89 N ATOM 1604 CA THR B 14 -17.221 3.245 -16.602 1.00 13.37 C ATOM 1605 C THR B 14 -17.612 2.171 -15.590 1.00 11.97 C ATOM 1606 O THR B 14 -16.948 1.969 -14.592 1.00 10.76 O ATOM 1607 CB THR B 14 -16.353 2.620 -17.694 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.029 3.608 -18.663 1.00 13.48 O ATOM 1609 CG2 THR B 14 -17.119 1.478 -18.360 1.00 9.24 C ATOM 0 H THR B 14 -15.697 4.018 -15.324 1.00 14.89 H new ATOM 0 HA THR B 14 -18.120 3.667 -17.052 1.00 13.37 H new ATOM 0 HB THR B 14 -15.435 2.231 -17.254 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.471 3.209 -19.363 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.501 1.031 -19.139 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.366 0.722 -17.615 1.00 9.24 H new ATOM 0 HG23 THR B 14 -18.037 1.865 -18.802 1.00 9.24 H new ATOM 1617 N THR B 15 -18.687 1.480 -15.841 1.00 13.20 N ATOM 1618 CA THR B 15 -19.125 0.418 -14.900 1.00 12.54 C ATOM 1619 C THR B 15 -18.615 -0.935 -15.391 1.00 14.34 C ATOM 1620 O THR B 15 -19.070 -1.457 -16.390 1.00 17.35 O ATOM 1621 CB THR B 15 -20.650 0.391 -14.835 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.163 1.666 -15.199 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.088 0.048 -13.414 1.00 8.30 C ATOM 0 H THR B 15 -19.282 1.606 -16.660 1.00 13.20 H new ATOM 0 HA THR B 15 -18.723 0.623 -13.908 1.00 12.54 H new ATOM 0 HB THR B 15 -21.033 -0.361 -15.525 1.00 11.88 H new ATOM 0 HG1 THR B 15 -20.956 2.315 -14.495 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.177 0.028 -13.364 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.694 -0.930 -13.138 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.707 0.801 -12.724 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.867 -1.305 -9.963 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.713 0.118 -9.547 1.00 16.31 C ATOM 1818 C LEU B 28 -18.106 0.946 -10.684 1.00 14.21 C ATOM 1819 O LEU B 28 -17.494 0.423 -11.594 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.796 0.180 -8.327 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.566 0.750 -7.136 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -19.261 -0.389 -6.387 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.591 1.462 -6.194 1.00 22.01 C ATOM 0 HA LEU B 28 -19.693 0.528 -9.303 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.423 -0.816 -8.089 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.928 0.802 -8.543 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.313 1.460 -7.490 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.810 0.016 -5.537 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.954 -0.897 -7.058 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -18.515 -1.099 -6.031 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.138 1.869 -5.344 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.844 0.752 -5.838 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.095 2.272 -6.728 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.267 2.242 -10.628 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.699 3.123 -11.690 1.00 9.77 C ATOM 1837 C ASN B 29 -16.197 3.294 -11.450 1.00 7.94 C ATOM 1838 O ASN B 29 -15.768 3.619 -10.361 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.364 4.498 -11.621 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.826 4.396 -12.050 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.221 3.443 -12.691 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -20.654 5.350 -11.718 1.00 12.89 N ATOM 0 H ASN B 29 -18.771 2.731 -9.888 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.876 2.673 -12.667 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.301 4.890 -10.606 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.835 5.199 -12.267 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -21.634 5.295 -11.997 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.321 6.150 -11.180 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.393 3.088 -12.455 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.923 3.254 -12.273 1.00 13.16 C ATOM 1851 C GLU B 30 -13.406 4.273 -13.290 1.00 12.26 C ATOM 1852 O GLU B 30 -13.933 4.395 -14.379 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.222 1.913 -12.493 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.654 0.926 -11.407 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.437 -0.505 -11.902 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -12.311 -0.828 -12.244 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -14.400 -1.253 -11.932 1.00 38.01 O ATOM 0 H GLU B 30 -15.688 2.813 -13.392 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.717 3.604 -11.262 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.471 1.518 -13.478 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.141 2.048 -12.467 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -13.081 1.098 -10.496 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.704 1.080 -11.157 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.383 5.006 -12.951 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.845 6.012 -13.909 1.00 9.46 C ATOM 1866 C GLN B 31 -10.318 5.945 -13.921 1.00 10.09 C ATOM 1867 O GLN B 31 -9.721 5.043 -13.366 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.293 7.416 -13.490 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.999 8.101 -14.662 1.00 10.62 C ATOM 1870 CD GLN B 31 -12.182 9.316 -15.099 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -11.027 9.186 -15.455 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.732 10.501 -15.081 1.00 12.39 N ATOM 0 H GLN B 31 -11.897 4.953 -12.056 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.225 5.795 -14.908 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.965 7.354 -12.634 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.431 8.005 -13.177 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -13.110 7.404 -15.493 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -14.002 8.409 -14.368 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.701 10.609 -14.782 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -12.192 11.318 -15.366 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.683 6.889 -14.556 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.196 6.879 -14.615 1.00 10.34 C ATOM 1883 C LEU B 32 -7.662 8.270 -14.260 1.00 9.02 C ATOM 1884 O LEU B 32 -8.416 9.205 -14.077 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.756 6.487 -16.026 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.130 5.025 -16.282 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.571 4.944 -16.794 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.182 4.430 -17.327 1.00 15.89 C ATOM 0 H LEU B 32 -10.131 7.669 -15.038 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.798 6.157 -13.901 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.236 7.132 -16.762 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.680 6.624 -16.136 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.045 4.463 -15.352 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.835 3.902 -16.975 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.246 5.365 -16.049 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.659 5.508 -17.723 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.448 3.389 -17.509 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.265 4.994 -18.256 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.157 4.483 -16.961 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.367 8.414 -14.152 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.787 9.736 -13.800 1.00 8.10 C ATOM 1902 C CYS B 33 -4.309 9.722 -14.167 1.00 6.34 C ATOM 1903 O CYS B 33 -3.710 8.676 -14.301 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.918 10.004 -12.293 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.231 8.464 -11.390 1.00 13.84 S ATOM 0 H CYS B 33 -5.687 7.667 -14.294 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.320 10.517 -14.342 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.005 10.470 -11.921 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.731 10.708 -12.114 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.728 8.552 -10.194 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.712 10.864 -14.325 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.272 10.893 -14.683 1.00 7.08 C ATOM 1913 C TYR B 34 -1.480 11.523 -13.542 1.00 7.71 C ATOM 1914 O TYR B 34 -1.388 12.728 -13.433 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.085 11.735 -15.933 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.255 10.886 -17.168 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.217 10.051 -17.603 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.444 10.964 -17.899 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -1.370 9.298 -18.767 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.595 10.213 -19.066 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.557 9.383 -19.499 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.707 8.642 -20.654 1.00 21.14 O ATOM 0 H TYR B 34 -4.156 11.776 -14.222 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.921 9.877 -14.861 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.808 12.550 -15.942 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.094 12.188 -15.929 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.299 9.991 -17.037 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -4.245 11.605 -17.561 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.573 8.651 -19.102 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.512 10.273 -19.633 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.590 8.815 -21.041 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.917 10.725 -12.684 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.143 11.298 -11.547 1.00 10.66 C ATOM 1934 C VAL B 35 1.358 11.140 -11.788 1.00 10.57 C ATOM 1935 O VAL B 35 1.846 10.058 -12.049 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.524 10.576 -10.256 1.00 10.22 C ATOM 1937 CG1 VAL B 35 -0.097 11.425 -9.056 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -2.039 10.365 -10.222 1.00 9.86 C ATOM 0 H VAL B 35 -0.957 9.706 -12.718 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.378 12.359 -11.464 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.022 9.609 -10.214 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.368 10.912 -8.133 1.00 7.97 H new ATOM 0 HG12 VAL B 35 0.982 11.577 -9.084 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.601 12.391 -9.096 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.314 9.850 -9.302 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.542 11.331 -10.261 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.342 9.763 -11.079 1.00 9.86 H new ATOM 1948 N ASP B 36 2.097 12.212 -11.687 1.00 8.58 N ATOM 1949 CA ASP B 36 3.558 12.127 -11.888 1.00 11.48 C ATOM 1950 C ASP B 36 4.210 11.756 -10.557 1.00 12.38 C ATOM 1951 O ASP B 36 5.261 11.155 -10.515 1.00 11.89 O ATOM 1952 CB ASP B 36 4.093 13.479 -12.366 1.00 16.17 C ATOM 1953 CG ASP B 36 3.668 14.574 -11.385 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.521 14.555 -10.967 1.00 15.67 O ATOM 1955 OD2 ASP B 36 4.495 15.413 -11.068 1.00 25.89 O ATOM 0 H ASP B 36 1.743 13.144 -11.473 1.00 8.58 H new ATOM 0 HA ASP B 36 3.788 11.372 -12.640 1.00 11.48 H new ATOM 0 HB2 ASP B 36 5.180 13.446 -12.441 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.711 13.701 -13.363 1.00 16.17 H new ATOM 1960 N LEU B 37 3.585 12.108 -9.466 1.00 13.17 N ATOM 1961 CA LEU B 37 4.159 11.776 -8.132 1.00 18.47 C ATOM 1962 C LEU B 37 5.639 12.150 -8.107 1.00 21.14 C ATOM 1963 O LEU B 37 6.411 11.617 -7.335 1.00 24.24 O ATOM 1964 CB LEU B 37 4.007 10.279 -7.869 1.00 15.81 C ATOM 1965 CG LEU B 37 2.695 9.790 -8.479 1.00 20.59 C ATOM 1966 CD1 LEU B 37 2.994 8.928 -9.706 1.00 14.72 C ATOM 1967 CD2 LEU B 37 1.932 8.961 -7.443 1.00 20.01 C ATOM 0 H LEU B 37 2.699 12.613 -9.442 1.00 13.17 H new ATOM 0 HA LEU B 37 3.630 12.335 -7.360 1.00 18.47 H new ATOM 0 HB2 LEU B 37 4.847 9.735 -8.301 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.018 10.084 -6.797 1.00 15.81 H new ATOM 0 HG LEU B 37 2.089 10.646 -8.777 1.00 20.59 H new ATOM 0 HD11 LEU B 37 2.058 8.579 -10.142 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.539 9.519 -10.442 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.599 8.071 -9.410 1.00 14.72 H new ATOM 0 HD21 LEU B 37 0.995 8.611 -7.876 1.00 20.01 H new ATOM 0 HD22 LEU B 37 2.537 8.104 -7.145 1.00 20.01 H new ATOM 0 HD23 LEU B 37 1.720 9.577 -6.569 1.00 20.01 H new ATOM 1979 N GLY B 38 6.041 13.067 -8.940 1.00 20.70 N ATOM 1980 CA GLY B 38 7.466 13.478 -8.957 1.00 23.91 C ATOM 1981 C GLY B 38 8.256 12.588 -9.924 1.00 26.50 C ATOM 1982 O GLY B 38 9.468 12.643 -9.978 1.00 31.02 O ATOM 0 H GLY B 38 5.441 13.549 -9.610 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.549 14.522 -9.260 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.887 13.403 -7.954 1.00 23.91 H new ATOM 1986 N ASN B 39 7.582 11.764 -10.684 1.00 27.64 N ATOM 1987 CA ASN B 39 8.302 10.873 -11.636 1.00 30.27 C ATOM 1988 C ASN B 39 8.524 11.600 -12.966 1.00 26.79 C ATOM 1989 O ASN B 39 8.781 10.990 -13.984 1.00 26.87 O ATOM 1990 CB ASN B 39 7.484 9.599 -11.884 1.00 35.62 C ATOM 1991 CG ASN B 39 6.825 9.137 -10.582 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.306 9.432 -9.505 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.733 8.418 -10.636 1.00 39.63 N ATOM 0 H ASN B 39 6.566 11.671 -10.685 1.00 27.64 H new ATOM 0 HA ASN B 39 9.266 10.605 -11.204 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.722 9.788 -12.640 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.130 8.812 -12.273 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.285 8.105 -9.775 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.329 8.171 -11.540 1.00 39.63 H new ATOM 2000 N GLU B 40 8.428 12.898 -12.962 1.00 25.15 N ATOM 2001 CA GLU B 40 8.635 13.672 -14.221 1.00 23.81 C ATOM 2002 C GLU B 40 7.850 13.028 -15.359 1.00 21.12 C ATOM 2003 O GLU B 40 8.427 12.446 -16.250 1.00 19.86 O ATOM 2004 CB GLU B 40 10.119 13.685 -14.590 1.00 27.22 C ATOM 2005 CG GLU B 40 10.966 13.709 -13.317 1.00 34.87 C ATOM 2006 CD GLU B 40 12.447 13.788 -13.690 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.796 14.661 -14.468 1.00 39.54 O ATOM 2008 OE2 GLU B 40 13.208 12.974 -13.192 1.00 42.34 O ATOM 0 H GLU B 40 8.214 13.461 -12.139 1.00 25.15 H new ATOM 0 HA GLU B 40 8.288 14.693 -14.064 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.364 12.805 -15.185 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.343 14.557 -15.204 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.690 14.564 -12.700 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.777 12.814 -12.725 1.00 34.87 H new ATOM 2015 N HIS B 41 6.544 13.148 -15.322 1.00 6.22 N ATOM 2016 CA HIS B 41 5.656 12.571 -16.390 1.00 5.66 C ATOM 2017 C HIS B 41 4.373 12.069 -15.736 1.00 4.44 C ATOM 2018 O HIS B 41 4.391 11.635 -14.602 1.00 3.45 O ATOM 2019 CB HIS B 41 6.333 11.405 -17.118 1.00 6.50 C ATOM 2020 CG HIS B 41 7.060 11.930 -18.327 1.00 5.68 C ATOM 2021 ND1 HIS B 41 7.618 13.199 -18.355 1.00 6.25 N ATOM 2022 CD2 HIS B 41 7.345 11.369 -19.547 1.00 4.96 C ATOM 2023 CE1 HIS B 41 8.208 13.357 -19.550 1.00 5.78 C ATOM 2024 NE2 HIS B 41 8.072 12.272 -20.318 1.00 5.01 N ATOM 0 H HIS B 41 6.042 13.633 -14.579 1.00 6.22 H new ATOM 0 HA HIS B 41 5.445 13.350 -17.122 1.00 5.66 H new ATOM 0 HB2 HIS B 41 7.031 10.900 -16.450 1.00 6.50 H new ATOM 0 HB3 HIS B 41 5.589 10.667 -17.418 1.00 6.50 H new ATOM 0 HD2 HIS B 41 7.050 10.379 -19.861 1.00 4.96 H new ATOM 0 HE1 HIS B 41 8.730 14.253 -19.854 1.00 5.78 H new ATOM 0 HE2 HIS B 41 8.425 12.135 -21.265 1.00 5.01 H new ATOM 2032 N PRO B 42 3.290 12.150 -16.462 1.00 15.11 N ATOM 2033 CA PRO B 42 1.980 11.715 -15.962 1.00 16.08 C ATOM 2034 C PRO B 42 1.851 10.197 -16.050 1.00 17.92 C ATOM 2035 O PRO B 42 2.219 9.586 -17.033 1.00 17.13 O ATOM 2036 CB PRO B 42 0.994 12.381 -16.914 1.00 16.41 C ATOM 2037 CG PRO B 42 1.765 12.657 -18.219 1.00 13.79 C ATOM 2038 CD PRO B 42 3.264 12.680 -17.843 1.00 16.28 C ATOM 0 HA PRO B 42 1.816 11.982 -14.918 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.136 11.734 -17.099 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.608 13.307 -16.488 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.562 11.884 -18.961 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.460 13.607 -18.657 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.856 12.063 -18.519 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.673 13.689 -17.892 1.00 16.28 H new ATOM 2046 N VAL B 43 1.315 9.586 -15.036 1.00 16.29 N ATOM 2047 CA VAL B 43 1.144 8.111 -15.064 1.00 14.28 C ATOM 2048 C VAL B 43 -0.347 7.787 -15.066 1.00 9.00 C ATOM 2049 O VAL B 43 -1.070 8.133 -14.154 1.00 7.99 O ATOM 2050 CB VAL B 43 1.818 7.487 -13.841 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.186 8.138 -13.626 1.00 18.07 C ATOM 2052 CG2 VAL B 43 0.949 7.702 -12.598 1.00 20.57 C ATOM 0 H VAL B 43 0.987 10.045 -14.186 1.00 16.29 H new ATOM 0 HA VAL B 43 1.607 7.701 -15.962 1.00 14.28 H new ATOM 0 HB VAL B 43 1.943 6.417 -14.008 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.667 7.694 -12.755 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.808 7.976 -14.506 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.058 9.208 -13.464 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.436 7.255 -11.732 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.815 8.770 -12.428 1.00 20.57 H new ATOM 0 HG23 VAL B 43 -0.024 7.234 -12.749 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.816 7.139 -16.095 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.262 6.815 -16.169 1.00 11.55 C ATOM 2064 C LEU B 44 -2.599 5.642 -15.249 1.00 10.61 C ATOM 2065 O LEU B 44 -2.285 4.502 -15.530 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.629 6.456 -17.603 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.122 6.163 -17.674 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.904 7.436 -17.342 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.485 5.692 -19.085 1.00 20.21 C ATOM 0 H LEU B 44 -0.258 6.821 -16.887 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.832 7.687 -15.847 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.374 7.277 -18.274 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.059 5.587 -17.931 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.375 5.382 -16.957 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.973 7.230 -17.392 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.645 7.770 -16.337 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.651 8.216 -18.060 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.554 5.483 -19.135 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.234 6.471 -19.805 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.926 4.786 -19.321 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.255 5.920 -14.160 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.645 4.845 -13.213 1.00 9.29 C ATOM 2083 C VAL B 45 -5.160 4.759 -13.165 1.00 9.95 C ATOM 2084 O VAL B 45 -5.856 5.357 -13.962 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.131 5.181 -11.822 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.617 5.372 -11.872 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -3.799 6.470 -11.334 1.00 10.20 C ATOM 0 H VAL B 45 -3.541 6.859 -13.883 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.221 3.896 -13.543 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.368 4.368 -11.136 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.248 5.613 -10.875 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -1.146 4.453 -12.221 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -1.375 6.186 -12.555 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.433 6.714 -10.337 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.561 7.285 -12.018 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -4.879 6.329 -11.300 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.678 4.018 -12.237 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.153 3.894 -12.145 1.00 12.81 C ATOM 2099 C LYS B 46 -7.678 4.651 -10.922 1.00 13.35 C ATOM 2100 O LYS B 46 -6.992 4.813 -9.932 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.539 2.419 -12.050 1.00 17.04 C ATOM 2102 CG LYS B 46 -7.452 1.786 -13.439 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.844 1.748 -14.072 1.00 33.77 C ATOM 2104 CE LYS B 46 -9.133 0.337 -14.584 1.00 34.48 C ATOM 2105 NZ LYS B 46 -10.385 0.348 -15.392 1.00 36.74 N ATOM 0 H LYS B 46 -5.149 3.494 -11.540 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.600 4.328 -13.040 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.874 1.901 -11.359 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.550 2.320 -11.655 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -6.770 2.358 -14.069 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -7.047 0.777 -13.365 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -9.596 2.042 -13.340 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.902 2.463 -14.893 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.300 -0.019 -15.190 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -9.235 -0.352 -13.745 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -10.582 -0.612 -15.740 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -11.177 0.671 -14.800 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -10.271 0.993 -16.200 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.896 5.117 -10.992 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.487 5.867 -9.852 1.00 16.93 C ATOM 2121 C ILE B 47 -10.962 5.474 -9.705 1.00 16.52 C ATOM 2122 O ILE B 47 -11.728 5.553 -10.645 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.365 7.375 -10.126 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.449 8.150 -8.812 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.488 7.833 -11.058 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -8.247 9.085 -8.698 1.00 18.26 C ATOM 0 H ILE B 47 -9.510 5.008 -11.799 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.959 5.628 -8.929 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.403 7.568 -10.601 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.375 8.724 -8.774 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.467 7.459 -7.970 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.392 8.902 -11.245 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.421 7.292 -12.002 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.453 7.632 -10.592 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.305 9.639 -7.761 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.328 8.500 -8.717 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.250 9.784 -9.534 1.00 18.26 H new ATOM 2138 N THR B 48 -11.369 5.052 -8.541 1.00 16.86 N ATOM 2139 CA THR B 48 -12.794 4.659 -8.355 1.00 16.59 C ATOM 2140 C THR B 48 -13.687 5.887 -8.546 1.00 19.04 C ATOM 2141 O THR B 48 -13.309 6.997 -8.227 1.00 22.56 O ATOM 2142 CB THR B 48 -12.992 4.097 -6.947 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.846 3.346 -6.572 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.227 3.194 -6.922 1.00 16.02 C ATOM 0 H THR B 48 -10.780 4.962 -7.713 1.00 16.86 H new ATOM 0 HA THR B 48 -13.060 3.897 -9.087 1.00 16.59 H new ATOM 0 HB THR B 48 -13.133 4.919 -6.246 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.971 2.987 -5.669 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.366 2.795 -5.917 1.00 16.02 H new ATOM 0 HG22 THR B 48 -15.106 3.772 -7.207 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.090 2.371 -7.624 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.868 5.699 -9.068 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.781 6.855 -9.284 1.00 18.82 C ATOM 2154 C LEU B 49 -17.109 6.592 -8.566 1.00 20.06 C ATOM 2155 O LEU B 49 -18.115 6.314 -9.183 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.022 7.022 -10.793 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.702 8.362 -11.095 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.212 8.237 -10.874 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -16.141 9.461 -10.187 1.00 14.50 C ATOM 0 H LEU B 49 -15.240 4.793 -9.354 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.336 7.766 -8.885 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.073 6.964 -11.325 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.643 6.204 -11.159 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.506 8.627 -12.134 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -18.692 9.192 -11.090 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.615 7.471 -11.537 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -18.406 7.959 -9.838 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -16.634 10.407 -10.413 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -16.321 9.199 -9.144 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -15.069 9.561 -10.356 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.122 6.675 -7.264 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.387 6.422 -6.518 1.00 27.04 C ATOM 2173 C ASP B 50 -18.581 7.496 -5.449 1.00 27.73 C ATOM 2174 O ASP B 50 -17.818 8.435 -5.350 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.320 5.047 -5.850 1.00 29.11 C ATOM 2176 CG ASP B 50 -19.725 4.446 -5.777 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -20.469 4.836 -4.892 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -20.034 3.607 -6.607 1.00 30.76 O ATOM 0 H ASP B 50 -16.314 6.906 -6.686 1.00 22.62 H new ATOM 0 HA ASP B 50 -19.225 6.450 -7.214 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.660 4.388 -6.415 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -17.899 5.138 -4.849 1.00 29.11 H new ATOM 2183 N GLU B 51 -19.601 7.363 -4.647 1.00 31.16 N ATOM 2184 CA GLU B 51 -19.853 8.372 -3.584 1.00 34.22 C ATOM 2185 C GLU B 51 -20.306 9.685 -4.221 1.00 34.98 C ATOM 2186 O GLU B 51 -19.613 10.682 -4.178 1.00 34.19 O ATOM 2187 CB GLU B 51 -18.580 8.607 -2.779 1.00 38.24 C ATOM 2188 CG GLU B 51 -18.972 9.042 -1.371 1.00 46.84 C ATOM 2189 CD GLU B 51 -17.714 9.261 -0.528 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -17.049 10.262 -0.740 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -17.438 8.425 0.317 1.00 53.83 O ATOM 0 H GLU B 51 -20.272 6.596 -4.683 1.00 31.16 H new ATOM 0 HA GLU B 51 -20.633 8.003 -2.919 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -17.982 7.697 -2.742 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -17.967 9.372 -3.255 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -19.557 9.961 -1.414 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -19.603 8.283 -0.909 1.00 46.84 H new ATOM 2198 N GLY B 52 -21.472 9.684 -4.802 1.00 34.53 N ATOM 2199 CA GLY B 52 -22.007 10.923 -5.447 1.00 34.93 C ATOM 2200 C GLY B 52 -20.883 11.693 -6.146 1.00 36.10 C ATOM 2201 O GLY B 52 -20.946 12.898 -6.283 1.00 35.97 O ATOM 0 H GLY B 52 -22.086 8.872 -4.860 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -22.779 10.659 -6.170 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -22.477 11.557 -4.695 1.00 34.93 H new ATOM 2205 N GLN B 53 -19.854 11.020 -6.590 1.00 36.52 N ATOM 2206 CA GLN B 53 -18.746 11.743 -7.271 1.00 35.40 C ATOM 2207 C GLN B 53 -18.801 11.479 -8.782 1.00 31.02 C ATOM 2208 O GLN B 53 -18.798 10.340 -9.205 1.00 29.05 O ATOM 2209 CB GLN B 53 -17.407 11.255 -6.725 1.00 41.20 C ATOM 2210 CG GLN B 53 -16.902 12.245 -5.679 1.00 47.61 C ATOM 2211 CD GLN B 53 -15.629 11.699 -5.030 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -14.654 12.410 -4.886 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -15.596 10.458 -4.629 1.00 54.76 N ATOM 0 H GLN B 53 -19.735 10.010 -6.511 1.00 36.52 H new ATOM 0 HA GLN B 53 -18.852 12.812 -7.086 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -17.520 10.265 -6.282 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -16.683 11.161 -7.534 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -16.700 13.210 -6.144 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -17.667 12.410 -4.920 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -16.414 9.861 -4.750 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -14.752 10.085 -4.195 1.00 54.76 H new ATOM 2222 N PRO B 54 -18.835 12.538 -9.554 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.874 12.443 -11.021 1.00 23.44 C ATOM 2224 C PRO B 54 -17.473 12.148 -11.555 1.00 20.14 C ATOM 2225 O PRO B 54 -16.488 12.578 -10.987 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.349 13.825 -11.464 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.016 14.788 -10.305 1.00 27.18 C ATOM 2228 CD PRO B 54 -18.840 13.923 -9.043 1.00 28.37 C ATOM 0 HA PRO B 54 -19.522 11.647 -11.388 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.848 14.133 -12.382 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.419 13.821 -11.671 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.107 15.350 -10.518 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.815 15.516 -10.166 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -17.911 14.160 -8.524 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -19.652 14.083 -8.333 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.373 11.407 -12.626 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.035 11.071 -13.186 1.00 15.58 C ATOM 2238 C ALA B 55 -15.091 12.269 -13.072 1.00 16.41 C ATOM 2239 O ALA B 55 -15.486 13.408 -13.229 1.00 13.65 O ATOM 2240 CB ALA B 55 -16.187 10.686 -14.655 1.00 13.98 C ATOM 0 H ALA B 55 -18.165 11.019 -13.138 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.615 10.238 -12.622 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -15.210 10.439 -15.069 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.845 9.821 -14.738 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.615 11.522 -15.208 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.840 12.013 -12.804 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.855 13.122 -12.682 1.00 14.61 C ATOM 2248 C TYR B 56 -12.827 13.916 -13.989 1.00 15.51 C ATOM 2249 O TYR B 56 -12.318 13.462 -14.993 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.470 12.536 -12.392 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.488 11.894 -11.021 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.011 10.605 -10.864 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -11.010 12.596 -9.909 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -12.054 10.018 -9.598 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -11.050 12.005 -8.640 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.573 10.716 -8.485 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.616 10.135 -7.234 1.00 12.03 O ATOM 0 H TYR B 56 -13.457 11.078 -12.664 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.140 13.787 -11.866 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.206 11.799 -13.150 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.713 13.319 -12.432 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.381 10.064 -11.723 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -10.611 13.592 -10.029 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -12.459 9.024 -9.478 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -10.677 12.544 -7.781 1.00 11.47 H new ATOM 0 HH TYR B 56 -11.242 10.754 -6.573 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.377 15.099 -13.988 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.380 15.912 -15.234 1.00 14.95 C ATOM 2269 C ALA B 57 -11.937 16.114 -15.703 1.00 15.46 C ATOM 2270 O ALA B 57 -11.008 15.745 -15.013 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.024 17.272 -14.959 1.00 14.98 C ATOM 0 H ALA B 57 -13.823 15.536 -13.181 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.949 15.396 -16.007 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.025 17.866 -15.873 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.050 17.127 -14.619 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.457 17.794 -14.188 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.794 16.696 -16.863 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.474 16.965 -17.455 1.00 16.55 C ATOM 2279 C PRO B 58 -9.844 18.194 -16.795 1.00 16.75 C ATOM 2280 O PRO B 58 -10.262 19.312 -17.021 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.788 17.235 -18.928 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.275 17.663 -18.985 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.932 17.142 -17.693 1.00 13.96 C ATOM 0 HA PRO B 58 -9.765 16.148 -17.322 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.143 18.018 -19.326 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.617 16.344 -19.532 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.364 18.747 -19.055 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.765 17.246 -19.865 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.506 17.923 -17.195 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.620 16.322 -17.899 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.849 17.998 -15.975 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.211 19.162 -15.303 1.00 15.08 C ATOM 2293 C GLY B 59 -7.000 18.701 -14.490 1.00 14.96 C ATOM 2294 O GLY B 59 -6.688 17.529 -14.434 1.00 13.79 O ATOM 0 H GLY B 59 -8.453 17.087 -15.743 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.901 19.896 -16.047 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.931 19.654 -14.650 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.322 19.618 -13.850 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.143 19.245 -13.022 1.00 14.53 C ATOM 2300 C LEU B 60 -5.644 18.658 -11.705 1.00 14.15 C ATOM 2301 O LEU B 60 -6.576 19.168 -11.116 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.314 20.498 -12.729 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.843 20.219 -13.024 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.079 21.542 -13.114 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.252 19.362 -11.903 1.00 15.01 C ATOM 0 H LEU B 60 -6.538 20.615 -13.867 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.528 18.517 -13.551 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.666 21.330 -13.339 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.437 20.792 -11.687 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.757 19.687 -13.971 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.028 21.342 -13.325 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.500 22.151 -13.914 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.164 22.076 -12.168 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.201 19.162 -12.113 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.338 19.893 -10.955 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.795 18.419 -11.841 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.056 17.595 -11.228 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.544 17.015 -9.953 1.00 9.57 C ATOM 2319 C TYR B 61 -4.414 16.814 -8.967 1.00 11.76 C ATOM 2320 O TYR B 61 -3.248 16.776 -9.307 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.206 15.667 -10.207 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.602 15.903 -10.696 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.810 16.387 -11.987 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.688 15.652 -9.850 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.107 16.620 -12.441 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.987 15.885 -10.303 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.194 16.370 -11.597 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.478 16.593 -12.054 1.00 14.61 O ATOM 0 H TYR B 61 -4.270 17.111 -11.662 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.263 17.718 -9.533 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.638 15.100 -10.944 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.221 15.075 -9.292 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.967 16.581 -12.634 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.521 15.279 -8.850 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.272 16.992 -13.441 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.830 15.691 -9.656 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.499 16.497 -13.029 1.00 14.61 H new ATOM 2338 N THR B 62 -4.787 16.643 -7.742 1.00 12.22 N ATOM 2339 CA THR B 62 -3.810 16.390 -6.674 1.00 14.26 C ATOM 2340 C THR B 62 -4.446 15.373 -5.755 1.00 15.40 C ATOM 2341 O THR B 62 -5.495 15.606 -5.185 1.00 16.24 O ATOM 2342 CB THR B 62 -3.515 17.671 -5.912 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.676 18.078 -5.200 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.108 18.758 -6.903 1.00 11.61 C ATOM 0 H THR B 62 -5.758 16.669 -7.431 1.00 12.22 H new ATOM 0 HA THR B 62 -2.865 16.027 -7.080 1.00 14.26 H new ATOM 0 HB THR B 62 -2.704 17.502 -5.204 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.420 18.691 -4.479 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.895 19.681 -6.364 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.218 18.441 -7.446 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.921 18.930 -7.609 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.856 14.236 -5.628 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.475 13.207 -4.769 1.00 15.17 C ATOM 2354 C VAL B 63 -4.804 13.824 -3.418 1.00 14.24 C ATOM 2355 O VAL B 63 -4.342 14.896 -3.080 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.539 12.021 -4.602 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.359 10.803 -4.193 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.829 11.736 -5.931 1.00 18.64 C ATOM 0 H VAL B 63 -2.979 13.971 -6.076 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.392 12.846 -5.235 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.794 12.242 -3.838 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.699 9.945 -4.070 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.869 11.007 -3.251 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.097 10.585 -4.965 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.158 10.885 -5.810 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.570 11.508 -6.698 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.254 12.612 -6.231 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.610 13.162 -2.650 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.989 13.710 -1.323 1.00 10.78 C ATOM 2370 C HIS B 64 -5.749 12.645 -0.254 1.00 14.19 C ATOM 2371 O HIS B 64 -6.196 11.517 -0.380 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.470 14.096 -1.339 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.729 15.177 -0.324 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.106 15.198 0.914 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.563 16.269 -0.340 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.572 16.261 1.588 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.463 16.951 0.870 1.00 20.65 N ATOM 0 H HIS B 64 -6.026 12.260 -2.882 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.387 14.592 -1.101 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.754 14.443 -2.333 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.085 13.223 -1.118 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.199 16.555 -1.165 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.264 16.526 2.589 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -8.962 17.796 1.148 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.052 12.992 0.799 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.789 12.003 1.875 1.00 14.44 C ATOM 2387 C LEU B 65 -6.070 11.743 2.670 1.00 12.66 C ATOM 2388 O LEU B 65 -6.074 10.971 3.608 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.700 12.527 2.813 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.279 13.614 3.696 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.326 13.125 5.147 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.412 14.868 3.602 1.00 19.03 C ATOM 0 H LEU B 65 -4.656 13.919 0.955 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.453 11.071 1.421 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.310 11.714 3.426 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.864 12.920 2.234 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.289 13.851 3.363 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.743 13.907 5.781 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.952 12.235 5.211 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.317 12.884 5.483 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -3.830 15.648 4.238 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.399 14.636 3.931 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.387 15.216 2.569 1.00 19.03 H new ATOM 2404 N SER B 66 -7.170 12.348 2.296 1.00 13.51 N ATOM 2405 CA SER B 66 -8.425 12.077 3.035 1.00 10.39 C ATOM 2406 C SER B 66 -8.675 10.573 2.946 1.00 8.56 C ATOM 2407 O SER B 66 -9.411 9.997 3.723 1.00 11.70 O ATOM 2408 CB SER B 66 -9.584 12.835 2.387 1.00 12.88 C ATOM 2409 OG SER B 66 -10.775 12.070 2.516 1.00 14.72 O ATOM 0 H SER B 66 -7.247 13.007 1.521 1.00 13.51 H new ATOM 0 HA SER B 66 -8.346 12.401 4.073 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.709 13.807 2.863 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.369 13.021 1.335 1.00 12.88 H new ATOM 0 HG SER B 66 -11.521 12.554 2.103 1.00 14.72 H new ATOM 2415 N SER B 67 -8.050 9.940 1.986 1.00 7.98 N ATOM 2416 CA SER B 67 -8.215 8.476 1.804 1.00 8.20 C ATOM 2417 C SER B 67 -7.075 7.728 2.505 1.00 11.02 C ATOM 2418 O SER B 67 -7.093 6.518 2.614 1.00 11.45 O ATOM 2419 CB SER B 67 -8.180 8.151 0.311 1.00 8.01 C ATOM 2420 OG SER B 67 -9.089 9.001 -0.376 1.00 11.22 O ATOM 0 H SER B 67 -7.425 10.386 1.314 1.00 7.98 H new ATOM 0 HA SER B 67 -9.167 8.166 2.235 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.171 8.287 -0.079 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.447 7.107 0.148 1.00 8.01 H new ATOM 0 HG SER B 67 -9.614 8.472 -1.013 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.072 8.432 2.964 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.925 7.754 3.631 1.00 11.79 C ATOM 2428 C PHE B 68 -5.306 7.373 5.060 1.00 12.69 C ATOM 2429 O PHE B 68 -6.159 7.982 5.674 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.718 8.700 3.657 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.407 9.186 2.257 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.131 8.707 1.153 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.411 10.152 2.070 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.856 9.195 -0.126 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.142 10.641 0.789 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.866 10.163 -0.307 1.00 11.87 C ATOM 0 H PHE B 68 -6.000 9.448 2.905 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.670 6.851 3.076 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.926 9.550 4.307 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.852 8.185 4.072 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.900 7.962 1.293 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.850 10.520 2.917 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.409 8.824 -0.976 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.375 11.388 0.646 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.659 10.543 -1.296 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.672 6.367 5.591 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.982 5.935 6.981 1.00 15.38 C ATOM 2448 C LYS B 69 -3.789 5.168 7.545 1.00 15.02 C ATOM 2449 O LYS B 69 -2.778 5.002 6.892 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.214 5.028 6.975 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.449 5.840 7.366 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.693 4.955 7.272 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.578 5.441 6.124 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.920 5.813 6.653 1.00 32.70 N ATOM 0 H LYS B 69 -3.949 5.823 5.120 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.183 6.810 7.599 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.352 4.591 5.986 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.074 4.202 7.672 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.339 6.224 8.380 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.553 6.703 6.708 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.403 3.917 7.107 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -9.246 4.986 8.211 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.118 6.299 5.634 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -9.676 4.659 5.371 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -11.522 6.144 5.872 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -11.359 4.983 7.101 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.818 6.572 7.356 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.902 4.698 8.751 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.777 3.937 9.363 1.00 13.49 C ATOM 2470 C VAL B 70 -3.170 2.463 9.470 1.00 11.85 C ATOM 2471 O VAL B 70 -3.972 2.082 10.299 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.458 4.484 10.759 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.946 4.664 10.898 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.152 5.835 10.977 1.00 15.63 C ATOM 0 H VAL B 70 -4.725 4.807 9.343 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.892 4.043 8.736 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.820 3.777 11.506 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.716 5.053 11.890 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.451 3.703 10.761 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.592 5.365 10.142 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.915 6.209 11.973 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.804 6.548 10.229 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.231 5.709 10.884 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.616 1.633 8.630 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.961 0.182 8.671 1.00 11.07 C ATOM 2486 C GLY B 71 -2.160 -0.515 9.773 1.00 12.15 C ATOM 2487 O GLY B 71 -1.754 0.097 10.742 1.00 12.70 O ATOM 0 H GLY B 71 -1.938 1.897 7.915 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -4.029 0.059 8.852 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.746 -0.279 7.707 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.935 -1.794 9.634 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.169 -2.538 10.670 1.00 19.42 C ATOM 2493 C GLN B 72 0.285 -2.699 10.219 1.00 16.97 C ATOM 2494 O GLN B 72 0.878 -3.748 10.372 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.797 -3.919 10.868 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.205 -4.579 12.114 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.351 -3.636 13.310 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -2.318 -3.708 14.041 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.423 -2.748 13.542 1.00 25.15 N ATOM 0 H GLN B 72 -2.251 -2.356 8.844 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.196 -1.985 11.609 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.878 -3.826 10.972 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -1.614 -4.542 9.992 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -1.714 -5.521 12.316 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -0.154 -4.814 11.949 1.00 25.29 H new ATOM 0 HE21 GLN B 72 0.389 -2.687 12.928 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -0.510 -2.115 14.337 1.00 25.15 H new ATOM 2508 N PHE B 73 0.863 -1.669 9.665 1.00 14.56 N ATOM 2509 CA PHE B 73 2.278 -1.768 9.206 1.00 14.60 C ATOM 2510 C PHE B 73 3.084 -0.599 9.772 1.00 15.63 C ATOM 2511 O PHE B 73 4.120 -0.236 9.252 1.00 17.80 O ATOM 2512 CB PHE B 73 2.319 -1.723 7.678 1.00 12.63 C ATOM 2513 CG PHE B 73 2.454 -3.126 7.142 1.00 14.99 C ATOM 2514 CD1 PHE B 73 1.345 -3.981 7.134 1.00 19.79 C ATOM 2515 CD2 PHE B 73 3.687 -3.574 6.654 1.00 16.27 C ATOM 2516 CE1 PHE B 73 1.470 -5.284 6.637 1.00 18.68 C ATOM 2517 CE2 PHE B 73 3.812 -4.877 6.157 1.00 20.44 C ATOM 2518 CZ PHE B 73 2.703 -5.732 6.148 1.00 17.88 C ATOM 0 H PHE B 73 0.418 -0.764 9.510 1.00 14.56 H new ATOM 0 HA PHE B 73 2.709 -2.706 9.556 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.411 -1.260 7.292 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.157 -1.111 7.343 1.00 12.63 H new ATOM 0 HD1 PHE B 73 0.394 -3.636 7.511 1.00 19.79 H new ATOM 0 HD2 PHE B 73 4.542 -2.914 6.661 1.00 16.27 H new ATOM 0 HE1 PHE B 73 0.615 -5.944 6.631 1.00 18.68 H new ATOM 0 HE2 PHE B 73 4.764 -5.223 5.781 1.00 20.44 H new ATOM 0 HZ PHE B 73 2.799 -6.737 5.764 1.00 17.88 H new ATOM 2528 N GLY B 74 2.617 -0.009 10.835 1.00 13.82 N ATOM 2529 CA GLY B 74 3.354 1.136 11.439 1.00 13.44 C ATOM 2530 C GLY B 74 3.800 2.097 10.336 1.00 10.42 C ATOM 2531 O GLY B 74 4.959 2.449 10.238 1.00 13.62 O ATOM 0 H GLY B 74 1.755 -0.270 11.313 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.716 1.657 12.153 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.221 0.773 11.992 1.00 13.44 H new ATOM 2535 N SER B 75 2.889 2.524 9.506 1.00 12.64 N ATOM 2536 CA SER B 75 3.261 3.464 8.411 1.00 12.47 C ATOM 2537 C SER B 75 2.005 3.864 7.635 1.00 12.47 C ATOM 2538 O SER B 75 1.225 3.028 7.223 1.00 11.32 O ATOM 2539 CB SER B 75 4.248 2.779 7.465 1.00 11.21 C ATOM 2540 OG SER B 75 4.405 3.571 6.295 1.00 18.27 O ATOM 0 H SER B 75 1.903 2.263 9.538 1.00 12.64 H new ATOM 0 HA SER B 75 3.724 4.354 8.837 1.00 12.47 H new ATOM 0 HB2 SER B 75 5.210 2.646 7.959 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.885 1.786 7.200 1.00 11.21 H new ATOM 0 HG SER B 75 5.038 3.135 5.687 1.00 18.27 H new ATOM 2546 N LEU B 76 1.803 5.138 7.433 1.00 12.43 N ATOM 2547 CA LEU B 76 0.599 5.592 6.684 1.00 12.18 C ATOM 2548 C LEU B 76 0.404 4.695 5.453 1.00 12.07 C ATOM 2549 O LEU B 76 1.320 4.036 5.003 1.00 9.82 O ATOM 2550 CB LEU B 76 0.783 7.072 6.285 1.00 11.99 C ATOM 2551 CG LEU B 76 0.981 7.221 4.774 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.952 8.704 4.399 1.00 9.28 C ATOM 2553 CD2 LEU B 76 2.331 6.617 4.376 1.00 7.80 C ATOM 0 H LEU B 76 2.421 5.883 7.755 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.294 5.514 7.305 1.00 12.18 H new ATOM 0 HB2 LEU B 76 -0.089 7.646 6.598 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.643 7.488 6.809 1.00 11.99 H new ATOM 0 HG LEU B 76 0.181 6.700 4.248 1.00 8.87 H new ATOM 0 HD11 LEU B 76 1.093 8.810 3.323 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.009 9.132 4.683 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.752 9.228 4.923 1.00 9.28 H new ATOM 0 HD21 LEU B 76 2.474 6.722 3.301 1.00 7.80 H new ATOM 0 HD22 LEU B 76 3.132 7.138 4.901 1.00 7.80 H new ATOM 0 HD23 LEU B 76 2.350 5.560 4.643 1.00 7.80 H new ATOM 2565 N MET B 77 -0.781 4.665 4.911 1.00 14.08 N ATOM 2566 CA MET B 77 -1.030 3.810 3.717 1.00 14.12 C ATOM 2567 C MET B 77 -2.326 4.249 3.035 1.00 11.37 C ATOM 2568 O MET B 77 -3.392 4.201 3.616 1.00 11.44 O ATOM 2569 CB MET B 77 -1.161 2.350 4.153 1.00 16.48 C ATOM 2570 CG MET B 77 0.228 1.766 4.409 1.00 24.75 C ATOM 2571 SD MET B 77 0.227 0.003 3.999 1.00 35.11 S ATOM 2572 CE MET B 77 1.686 0.015 2.928 1.00 33.86 C ATOM 0 H MET B 77 -1.587 5.195 5.242 1.00 14.08 H new ATOM 0 HA MET B 77 -0.197 3.912 3.021 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.767 2.282 5.056 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.673 1.774 3.382 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.971 2.290 3.807 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.507 1.907 5.453 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.873 -0.992 2.556 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.514 0.686 2.087 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.551 0.358 3.495 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.246 4.673 1.804 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.479 5.106 1.091 1.00 11.62 C ATOM 2584 C ILE B 78 -4.516 3.983 1.144 1.00 11.45 C ATOM 2585 O ILE B 78 -4.204 2.824 0.957 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.162 5.398 -0.374 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.339 6.682 -0.491 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.468 5.552 -1.161 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.977 6.358 -1.108 1.00 13.67 C ATOM 0 H ILE B 78 -1.384 4.738 1.263 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.865 6.005 1.572 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.584 4.569 -0.783 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.866 7.410 -1.108 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.207 7.133 0.492 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.240 5.760 -2.206 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.045 4.630 -1.092 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.049 6.375 -0.745 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.389 7.272 -1.192 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.451 5.645 -0.474 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.120 5.926 -2.098 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.748 4.324 1.368 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.821 3.288 1.401 1.00 14.79 C ATOM 2603 C ASP B 79 -7.639 3.411 0.118 1.00 15.20 C ATOM 2604 O ASP B 79 -8.099 2.439 -0.449 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.722 3.516 2.616 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.418 2.462 3.682 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -6.289 2.423 4.143 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.319 1.711 4.019 1.00 21.87 O ATOM 0 H ASP B 79 -6.065 5.280 1.531 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.384 2.292 1.475 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.559 4.515 3.020 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.770 3.458 2.321 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.793 4.614 -0.345 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.545 4.872 -1.600 1.00 17.14 C ATOM 2615 C ARG B 80 -8.320 6.332 -1.970 1.00 14.98 C ATOM 2616 O ARG B 80 -9.211 7.155 -1.916 1.00 16.47 O ATOM 2617 CB ARG B 80 -10.036 4.597 -1.394 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.631 4.022 -2.680 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.480 5.089 -3.370 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.924 4.777 -3.173 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.830 5.686 -3.414 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.476 6.872 -3.830 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -15.093 5.408 -3.240 1.00 35.04 N ATOM 0 H ARG B 80 -7.420 5.451 0.104 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.198 4.216 -2.398 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.177 3.897 -0.571 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.552 5.518 -1.122 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -9.834 3.690 -3.345 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -11.241 3.148 -2.452 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.250 6.073 -2.961 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.246 5.124 -4.434 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.205 3.852 -2.849 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.489 7.091 -3.968 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -14.186 7.580 -4.017 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.371 4.482 -2.916 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.802 6.117 -3.428 1.00 35.04 H new ATOM 2637 N LEU B 81 -7.101 6.635 -2.303 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.691 8.021 -2.655 1.00 11.27 C ATOM 2639 C LEU B 81 -7.861 8.831 -3.230 1.00 15.61 C ATOM 2640 O LEU B 81 -8.432 8.490 -4.246 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.529 7.935 -3.650 1.00 13.62 C ATOM 2642 CG LEU B 81 -6.034 8.040 -5.086 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.836 8.078 -6.038 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.898 6.813 -5.402 1.00 18.72 C ATOM 0 H LEU B 81 -6.343 5.954 -2.347 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.372 8.547 -1.755 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.815 8.735 -3.452 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.998 6.993 -3.515 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.626 8.947 -5.208 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -5.190 8.153 -7.066 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.213 8.942 -5.805 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.250 7.166 -5.922 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -7.263 6.880 -6.427 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.301 5.908 -5.288 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.745 6.778 -4.716 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.209 9.914 -2.588 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.323 10.757 -3.103 1.00 12.72 C ATOM 2658 C ARG B 82 -8.736 11.830 -4.022 1.00 13.33 C ATOM 2659 O ARG B 82 -8.171 12.808 -3.573 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.056 11.418 -1.934 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.556 11.138 -2.048 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.330 12.456 -1.997 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.416 12.355 -0.981 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.021 13.433 -0.556 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.682 14.603 -1.024 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.966 13.339 0.338 1.00 16.89 N ATOM 0 H ARG B 82 -7.770 10.250 -1.731 1.00 13.37 H new ATOM 0 HA ARG B 82 -10.032 10.141 -3.656 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.674 11.034 -0.988 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.875 12.493 -1.938 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.769 10.616 -2.981 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.877 10.485 -1.237 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.657 13.276 -1.746 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.753 12.680 -2.976 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.688 11.442 -0.616 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -12.943 14.678 -1.723 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.156 15.442 -0.691 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.232 12.425 0.705 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.439 14.179 0.671 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.844 11.639 -5.308 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.270 12.629 -6.265 1.00 13.86 C ATOM 2682 C LEU B 83 -9.070 13.930 -6.246 1.00 13.02 C ATOM 2683 O LEU B 83 -10.284 13.933 -6.181 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.315 12.066 -7.686 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.903 11.944 -8.258 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.995 11.735 -9.773 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.125 13.229 -7.970 1.00 10.58 C ATOM 0 H LEU B 83 -9.306 10.838 -5.739 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.241 12.826 -5.963 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.798 11.089 -7.681 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.917 12.715 -8.322 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.390 11.099 -7.798 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.992 11.647 -10.190 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.556 10.824 -9.981 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.503 12.585 -10.227 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.118 13.143 -8.377 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.634 14.074 -8.434 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.069 13.387 -6.893 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.387 15.035 -6.328 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.065 16.349 -6.346 1.00 12.86 C ATOM 2701 C VAL B 84 -8.333 17.241 -7.353 1.00 14.98 C ATOM 2702 O VAL B 84 -7.141 17.108 -7.528 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.984 16.968 -4.952 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.681 16.053 -3.945 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.515 17.143 -4.555 1.00 17.34 C ATOM 0 H VAL B 84 -7.369 15.079 -6.384 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.112 16.244 -6.629 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.476 17.941 -4.958 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.623 16.495 -2.950 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.727 15.931 -4.227 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.191 15.079 -3.938 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.457 17.585 -3.560 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.021 16.171 -4.550 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.020 17.798 -5.272 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.053 18.131 -7.979 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.467 19.058 -8.960 1.00 22.41 C ATOM 2717 C PRO B 85 -7.437 19.972 -8.281 1.00 25.70 C ATOM 2718 O PRO B 85 -7.616 20.401 -7.158 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.671 19.822 -9.510 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.786 19.652 -8.466 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.494 18.317 -7.760 1.00 20.63 C ATOM 0 HA PRO B 85 -7.917 18.561 -9.760 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.432 20.875 -9.659 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.977 19.425 -10.478 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.787 20.479 -7.756 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.767 19.638 -8.940 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.738 18.361 -6.699 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.075 17.500 -8.187 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.348 20.254 -8.950 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.290 21.115 -8.347 1.00 39.94 C ATOM 2731 C ALA B 86 -5.785 22.559 -8.281 1.00 46.96 C ATOM 2732 O ALA B 86 -5.899 23.235 -9.285 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.028 21.044 -9.210 1.00 39.70 C ATOM 0 H ALA B 86 -6.147 19.922 -9.893 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.063 20.765 -7.340 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.252 21.672 -8.772 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.677 20.013 -9.257 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.255 21.396 -10.216 1.00 39.70 H new ATOM 2739 N LYS B 87 -6.081 23.038 -7.106 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.569 24.439 -6.974 1.00 55.12 C ATOM 2741 C LYS B 87 -5.390 25.363 -6.664 1.00 55.82 C ATOM 2742 O LYS B 87 -5.618 26.404 -6.069 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.593 24.520 -5.839 1.00 52.96 C ATOM 2744 CG LYS B 87 -8.899 23.851 -6.274 1.00 55.49 C ATOM 2745 CD LYS B 87 -9.546 24.671 -7.393 1.00 56.64 C ATOM 2746 CE LYS B 87 -11.062 24.709 -7.188 1.00 58.91 C ATOM 2747 NZ LYS B 87 -11.659 25.740 -8.083 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.278 25.015 -7.027 1.00 57.66 O ATOM 0 H LYS B 87 -6.006 22.520 -6.231 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.038 24.749 -7.908 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.202 24.030 -4.947 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.777 25.562 -5.576 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -8.702 22.836 -6.620 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -9.580 23.773 -5.426 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -9.143 25.684 -7.395 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -9.310 24.232 -8.363 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -11.493 23.731 -7.403 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -11.293 24.937 -6.148 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -12.689 25.766 -7.944 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -11.256 26.672 -7.857 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -11.449 25.503 -9.074 1.00 58.16 H new