USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1400 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 66 SER OG : rot 180:sc=-0.00216 USER MOD Set 1.2: B 67 SER OG : rot -129:sc= -0.221 USER MOD Set 2.1: B 31 GLN : amide:sc= -9.28! C(o=-25!,f=-32!) USER MOD Set 2.2: B 33 CYS SG : rot -31:sc= -15.3! USER MOD Set 3.1: A 66 SER OG : rot 180:sc=-0.00186 USER MOD Set 3.2: A 67 SER OG : rot -145:sc= -0.171 USER MOD Set 4.1: A 31 GLN : amide:sc= -9.22! C(o=-25!,f=-32!) USER MOD Set 4.2: A 33 CYS SG : rot -30:sc= -15.4! USER MOD Single : A 1 MET CE :methyl 134:sc= -1.26 (180deg=-5.65!) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.108 (180deg=-0.203) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -2.22! (180deg=-4.42!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.73! C(o=-2.7!,f=-10!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 17 SER OG : rot 180:sc= 0.115 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -7.24! C(o=-7.2!,f=-6.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -6.3! C(o=-6.3!,f=-8.4!) USER MOD Single : A 41 HIS : no HD1:sc= 0.0193 X(o=0.019,f=-0.46) USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= 0.165 (180deg=-0.0239) USER MOD Single : A 48 THR OG1 : rot -140:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00673 K(o=-0.0067,f=-0.6) USER MOD Single : A 56 TYR OH : rot 180:sc= -1.26! USER MOD Single : A 61 TYR OH : rot 21:sc= 0.332 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 64 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-3.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -7.02! C(o=-7!,f=-4.1!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.204 USER MOD Single : A 77 MET CE :methyl 152:sc= -0.0429 (180deg=-1.22) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 139:sc= -1.3 (180deg=-5.61!) USER MOD Single : B 1 MET N :NH3+ 174:sc= -0.0762 (180deg=-0.188) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 138:sc= -2.28! (180deg=-4.27!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -2.68! C(o=-2.7!,f=-10!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : B 17 SER OG : rot 180:sc= 0.0851 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -7.44! C(o=-7.4!,f=-6.1!) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -6.57! C(o=-6.6!,f=-8.4!) USER MOD Single : B 41 HIS : no HD1:sc= 0.018 K(o=0.018,f=-0.49) USER MOD Single : B 46 LYS NZ :NH3+ -122:sc= 0.167 (180deg=-0.0155) USER MOD Single : B 48 THR OG1 : rot -140:sc= 0 USER MOD Single : B 53 GLN : amide:sc=-0.00132 K(o=-0.0013,f=-0.58) USER MOD Single : B 56 TYR OH : rot 180:sc= -1.39! USER MOD Single : B 61 TYR OH : rot 22:sc= 0.322 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.376 USER MOD Single : B 64 HIS : no HD1:sc= -0.461 K(o=-0.46,f=-3.9!) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -7.02! C(o=-7!,f=-3.9!) USER MOD Single : B 75 SER OG : rot 180:sc= -0.275 USER MOD Single : B 77 MET CE :methyl 153:sc= -0.0568 (180deg=-1.25) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.196 16.961 3.165 1.00 42.32 N ATOM 2 CA MET A 1 -0.729 16.705 3.103 1.00 40.89 C ATOM 3 C MET A 1 -0.355 15.641 4.136 1.00 34.75 C ATOM 4 O MET A 1 0.794 15.500 4.505 1.00 33.97 O ATOM 5 CB MET A 1 0.032 18.008 3.405 1.00 48.45 C ATOM 6 CG MET A 1 0.096 18.247 4.921 1.00 56.13 C ATOM 7 SD MET A 1 -0.382 19.955 5.283 1.00 64.91 S ATOM 8 CE MET A 1 -1.981 19.588 6.048 1.00 63.43 C ATOM 0 H1 MET A 1 -2.430 17.786 2.576 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.709 16.128 2.813 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.474 17.148 4.149 1.00 42.32 H new ATOM 0 HA MET A 1 -0.462 16.353 2.107 1.00 40.89 H new ATOM 0 HB2 MET A 1 1.041 17.952 2.996 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.463 18.848 2.918 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.569 17.555 5.438 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.104 18.055 5.288 1.00 56.13 H new ATOM 0 HE1 MET A 1 -2.085 20.163 6.968 1.00 63.43 H new ATOM 0 HE2 MET A 1 -2.783 19.856 5.360 1.00 63.43 H new ATOM 0 HE3 MET A 1 -2.039 18.524 6.277 1.00 63.43 H new ATOM 20 N ILE A 2 -1.313 14.902 4.621 1.00 28.59 N ATOM 21 CA ILE A 2 -0.993 13.871 5.642 1.00 24.58 C ATOM 22 C ILE A 2 -0.224 14.557 6.769 1.00 19.29 C ATOM 23 O ILE A 2 0.990 14.535 6.812 1.00 19.53 O ATOM 24 CB ILE A 2 -0.129 12.771 5.025 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.565 12.501 3.583 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.285 11.487 5.836 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.675 12.283 2.728 1.00 33.80 C ATOM 0 H ILE A 2 -2.296 14.967 4.356 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.909 13.417 6.020 1.00 24.58 H new ATOM 0 HB ILE A 2 0.911 13.096 5.033 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.211 11.624 3.542 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.144 13.341 3.200 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.331 10.702 5.397 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.032 11.665 6.864 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.330 11.176 5.828 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.377 12.090 1.698 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.302 13.174 2.763 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.235 11.429 3.110 1.00 33.80 H new ATOM 39 N LYS A 3 -0.923 15.196 7.662 1.00 18.14 N ATOM 40 CA LYS A 3 -0.240 15.924 8.768 1.00 16.66 C ATOM 41 C LYS A 3 0.256 14.949 9.833 1.00 14.94 C ATOM 42 O LYS A 3 -0.235 13.846 9.969 1.00 13.94 O ATOM 43 CB LYS A 3 -1.216 16.917 9.401 1.00 16.94 C ATOM 44 CG LYS A 3 -0.914 18.326 8.886 1.00 17.85 C ATOM 45 CD LYS A 3 -0.310 19.165 10.014 1.00 19.63 C ATOM 46 CE LYS A 3 0.035 20.558 9.485 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.816 21.573 10.166 1.00 32.72 N ATOM 0 H LYS A 3 -1.942 15.247 7.675 1.00 18.14 H new ATOM 0 HA LYS A 3 0.618 16.456 8.357 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.242 16.641 9.157 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.128 16.888 10.487 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.222 18.276 8.045 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.828 18.794 8.520 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -1.015 19.243 10.841 1.00 19.63 H new ATOM 0 HD3 LYS A 3 0.585 18.680 10.403 1.00 19.63 H new ATOM 0 HE2 LYS A 3 1.089 20.775 9.661 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.124 20.599 8.407 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.582 22.520 9.806 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.818 21.369 9.977 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.643 21.539 11.191 1.00 32.72 H new ATOM 61 N VAL A 4 1.234 15.363 10.591 1.00 12.42 N ATOM 62 CA VAL A 4 1.785 14.487 11.658 1.00 12.99 C ATOM 63 C VAL A 4 2.616 15.340 12.626 1.00 14.26 C ATOM 64 O VAL A 4 2.990 16.454 12.326 1.00 13.80 O ATOM 65 CB VAL A 4 2.647 13.364 11.020 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.149 13.800 9.642 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.853 13.019 11.911 1.00 10.41 C ATOM 0 H VAL A 4 1.677 16.279 10.514 1.00 12.42 H new ATOM 0 HA VAL A 4 0.974 14.016 12.214 1.00 12.99 H new ATOM 0 HB VAL A 4 2.019 12.479 10.919 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.752 13.004 9.206 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.298 14.007 8.994 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.755 14.700 9.744 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.439 12.230 11.440 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.475 13.905 12.041 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.500 12.678 12.884 1.00 10.41 H new ATOM 77 N GLU A 5 2.895 14.818 13.787 1.00 9.27 N ATOM 78 CA GLU A 5 3.693 15.579 14.790 1.00 10.51 C ATOM 79 C GLU A 5 4.679 14.634 15.460 1.00 10.00 C ATOM 80 O GLU A 5 4.302 13.721 16.166 1.00 10.96 O ATOM 81 CB GLU A 5 2.757 16.168 15.844 1.00 10.42 C ATOM 82 CG GLU A 5 2.202 17.496 15.336 1.00 18.68 C ATOM 83 CD GLU A 5 1.276 18.103 16.390 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.528 17.891 17.565 1.00 19.38 O ATOM 85 OE2 GLU A 5 0.330 18.771 16.005 1.00 22.12 O ATOM 0 H GLU A 5 2.602 13.888 14.087 1.00 9.27 H new ATOM 0 HA GLU A 5 4.234 16.386 14.295 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.942 15.475 16.052 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.294 16.319 16.781 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.019 18.183 15.117 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.657 17.341 14.405 1.00 18.68 H new ATOM 92 N ILE A 6 5.942 14.844 15.247 1.00 9.86 N ATOM 93 CA ILE A 6 6.946 13.948 15.887 1.00 10.60 C ATOM 94 C ILE A 6 7.032 14.299 17.380 1.00 10.16 C ATOM 95 O ILE A 6 7.643 15.276 17.765 1.00 11.64 O ATOM 96 CB ILE A 6 8.314 14.097 15.179 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.455 12.978 14.147 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.465 13.983 16.177 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.217 13.530 12.740 1.00 13.81 C ATOM 0 H ILE A 6 6.324 15.589 14.664 1.00 9.86 H new ATOM 0 HA ILE A 6 6.646 12.904 15.791 1.00 10.60 H new ATOM 0 HB ILE A 6 8.356 15.078 14.706 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.450 12.537 14.210 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.740 12.183 14.360 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.414 14.091 15.652 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.374 14.768 16.928 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.429 13.008 16.664 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.320 12.726 12.011 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.213 13.949 12.679 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.949 14.309 12.526 1.00 13.81 H new ATOM 111 N LYS A 7 6.413 13.506 18.223 1.00 11.63 N ATOM 112 CA LYS A 7 6.445 13.785 19.683 1.00 11.59 C ATOM 113 C LYS A 7 7.884 14.080 20.115 1.00 12.98 C ATOM 114 O LYS A 7 8.808 13.895 19.349 1.00 9.79 O ATOM 115 CB LYS A 7 5.923 12.553 20.425 1.00 12.52 C ATOM 116 CG LYS A 7 4.471 12.773 20.870 1.00 14.26 C ATOM 117 CD LYS A 7 3.663 13.462 19.764 1.00 15.70 C ATOM 118 CE LYS A 7 3.159 14.812 20.270 1.00 19.19 C ATOM 119 NZ LYS A 7 4.021 15.903 19.735 1.00 25.43 N ATOM 0 H LYS A 7 5.886 12.675 17.955 1.00 11.63 H new ATOM 0 HA LYS A 7 5.822 14.649 19.915 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.983 11.678 19.778 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.550 12.351 21.294 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.013 11.816 21.119 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.451 13.381 21.774 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.283 13.602 18.879 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.822 12.835 19.468 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.126 14.966 19.958 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.169 14.829 21.360 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.426 16.708 19.451 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.690 16.209 20.470 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.549 15.555 18.909 1.00 25.43 H new ATOM 133 N PRO A 8 8.030 14.524 21.337 1.00 13.56 N ATOM 134 CA PRO A 8 9.348 14.847 21.907 1.00 11.93 C ATOM 135 C PRO A 8 10.081 13.557 22.266 1.00 10.20 C ATOM 136 O PRO A 8 11.292 13.519 22.366 1.00 12.05 O ATOM 137 CB PRO A 8 9.011 15.668 23.155 1.00 12.78 C ATOM 138 CG PRO A 8 7.557 15.303 23.537 1.00 12.51 C ATOM 139 CD PRO A 8 6.899 14.739 22.263 1.00 13.61 C ATOM 0 HA PRO A 8 10.002 15.391 21.225 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.697 15.436 23.970 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.104 16.735 22.955 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.540 14.567 24.341 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.018 16.180 23.896 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.369 13.809 22.467 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.171 15.437 21.848 1.00 13.61 H new ATOM 147 N SER A 9 9.349 12.498 22.444 1.00 10.65 N ATOM 148 CA SER A 9 9.983 11.196 22.780 1.00 10.83 C ATOM 149 C SER A 9 10.138 10.367 21.501 1.00 10.94 C ATOM 150 O SER A 9 10.545 9.223 21.538 1.00 13.16 O ATOM 151 CB SER A 9 9.101 10.441 23.776 1.00 13.01 C ATOM 152 OG SER A 9 9.846 10.178 24.958 1.00 15.52 O ATOM 0 H SER A 9 8.332 12.477 22.371 1.00 10.65 H new ATOM 0 HA SER A 9 10.963 11.369 23.225 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.215 11.030 24.014 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.753 9.506 23.336 1.00 13.01 H new ATOM 0 HG SER A 9 9.283 9.696 25.599 1.00 15.52 H new ATOM 158 N GLN A 10 9.813 10.936 20.369 1.00 10.02 N ATOM 159 CA GLN A 10 9.939 10.181 19.092 1.00 11.55 C ATOM 160 C GLN A 10 10.830 10.959 18.120 1.00 13.72 C ATOM 161 O GLN A 10 10.597 10.970 16.928 1.00 17.31 O ATOM 162 CB GLN A 10 8.557 10.000 18.471 1.00 6.60 C ATOM 163 CG GLN A 10 7.544 9.739 19.579 1.00 7.20 C ATOM 164 CD GLN A 10 7.775 8.348 20.172 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.578 7.587 19.670 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.101 7.981 21.227 1.00 4.80 N ATOM 0 H GLN A 10 9.466 11.891 20.276 1.00 10.02 H new ATOM 0 HA GLN A 10 10.383 9.206 19.292 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.278 10.891 17.908 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.567 9.168 17.767 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.638 10.497 20.357 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.531 9.813 19.183 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.427 8.619 21.649 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.248 7.056 21.630 1.00 4.80 H new ATOM 175 N ALA A 11 11.842 11.620 18.615 1.00 15.28 N ATOM 176 CA ALA A 11 12.731 12.404 17.709 1.00 18.95 C ATOM 177 C ALA A 11 14.063 11.675 17.509 1.00 20.75 C ATOM 178 O ALA A 11 15.030 12.250 17.049 1.00 24.78 O ATOM 179 CB ALA A 11 12.994 13.781 18.321 1.00 17.72 C ATOM 0 H ALA A 11 12.091 11.651 19.604 1.00 15.28 H new ATOM 0 HA ALA A 11 12.240 12.516 16.742 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.643 14.355 17.660 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.049 14.309 18.449 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.477 13.662 19.291 1.00 17.72 H new ATOM 185 N GLN A 12 14.127 10.417 17.848 1.00 22.50 N ATOM 186 CA GLN A 12 15.401 9.664 17.672 1.00 25.43 C ATOM 187 C GLN A 12 15.118 8.311 17.021 1.00 22.80 C ATOM 188 O GLN A 12 14.190 7.618 17.387 1.00 20.93 O ATOM 189 CB GLN A 12 16.048 9.441 19.036 1.00 30.18 C ATOM 190 CG GLN A 12 16.992 10.601 19.330 1.00 42.11 C ATOM 191 CD GLN A 12 17.687 10.371 20.673 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.037 10.234 21.691 1.00 46.27 O ATOM 193 NE2 GLN A 12 18.990 10.323 20.721 1.00 47.90 N ATOM 0 H GLN A 12 13.354 9.879 18.239 1.00 22.50 H new ATOM 0 HA GLN A 12 16.073 10.238 17.033 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.283 9.372 19.809 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.595 8.498 19.044 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.734 10.689 18.536 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.436 11.538 19.353 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.536 10.438 19.867 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.462 10.171 21.612 1.00 47.90 H new ATOM 202 N PHE A 13 15.912 7.925 16.058 1.00 21.61 N ATOM 203 CA PHE A 13 15.681 6.616 15.397 1.00 20.51 C ATOM 204 C PHE A 13 16.512 5.539 16.094 1.00 18.83 C ATOM 205 O PHE A 13 17.406 5.830 16.864 1.00 18.83 O ATOM 206 CB PHE A 13 16.107 6.702 13.934 1.00 19.56 C ATOM 207 CG PHE A 13 17.553 7.137 13.874 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.576 6.184 13.946 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.869 8.496 13.761 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.913 6.594 13.902 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.203 8.904 13.719 1.00 14.07 C ATOM 212 CZ PHE A 13 20.224 7.955 13.789 1.00 18.48 C ATOM 0 H PHE A 13 16.706 8.459 15.705 1.00 21.61 H new ATOM 0 HA PHE A 13 14.622 6.363 15.459 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.983 5.735 13.447 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.477 7.412 13.398 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.334 5.135 14.035 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.079 9.230 13.706 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.705 5.861 13.955 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.445 9.953 13.632 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.256 8.271 13.756 1.00 18.48 H new ATOM 222 N THR A 14 16.232 4.296 15.820 1.00 14.89 N ATOM 223 CA THR A 14 17.012 3.199 16.453 1.00 13.37 C ATOM 224 C THR A 14 17.255 2.097 15.421 1.00 11.97 C ATOM 225 O THR A 14 16.429 1.842 14.567 1.00 10.76 O ATOM 226 CB THR A 14 16.235 2.627 17.641 1.00 13.68 C ATOM 227 OG1 THR A 14 15.832 3.688 18.496 1.00 13.48 O ATOM 228 CG2 THR A 14 17.128 1.658 18.414 1.00 9.24 C ATOM 0 H THR A 14 15.495 3.993 15.184 1.00 14.89 H new ATOM 0 HA THR A 14 17.966 3.589 16.807 1.00 13.37 H new ATOM 0 HB THR A 14 15.354 2.097 17.280 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.333 3.324 19.257 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.575 1.250 19.260 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.437 0.845 17.757 1.00 9.24 H new ATOM 0 HG23 THR A 14 18.010 2.186 18.777 1.00 9.24 H new ATOM 236 N THR A 15 18.382 1.446 15.488 1.00 13.20 N ATOM 237 CA THR A 15 18.676 0.366 14.506 1.00 12.54 C ATOM 238 C THR A 15 17.940 -0.911 14.914 1.00 14.34 C ATOM 239 O THR A 15 18.176 -1.465 15.969 1.00 17.35 O ATOM 240 CB THR A 15 20.183 0.099 14.475 1.00 11.88 C ATOM 241 OG1 THR A 15 20.872 1.230 14.988 1.00 17.15 O ATOM 242 CG2 THR A 15 20.628 -0.163 13.035 1.00 8.30 C ATOM 0 H THR A 15 19.112 1.615 16.180 1.00 13.20 H new ATOM 0 HA THR A 15 18.342 0.676 13.516 1.00 12.54 H new ATOM 0 HB THR A 15 20.411 -0.774 15.086 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.837 1.061 14.971 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.701 -0.353 13.015 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.098 -1.031 12.643 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.402 0.708 12.420 1.00 8.30 H new ATOM 250 N ARG A 16 17.050 -1.384 14.085 1.00 15.28 N ATOM 251 CA ARG A 16 16.301 -2.625 14.424 1.00 15.21 C ATOM 252 C ARG A 16 16.358 -3.591 13.239 1.00 16.91 C ATOM 253 O ARG A 16 16.360 -3.184 12.094 1.00 17.29 O ATOM 254 CB ARG A 16 14.843 -2.275 14.726 1.00 15.77 C ATOM 255 CG ARG A 16 14.288 -3.252 15.763 1.00 21.61 C ATOM 256 CD ARG A 16 13.490 -4.350 15.058 1.00 24.15 C ATOM 257 NE ARG A 16 12.867 -5.243 16.075 1.00 30.82 N ATOM 258 CZ ARG A 16 11.912 -6.064 15.731 1.00 29.13 C ATOM 259 NH1 ARG A 16 11.494 -6.105 14.494 1.00 34.38 N ATOM 260 NH2 ARG A 16 11.373 -6.846 16.626 1.00 25.71 N ATOM 0 H ARG A 16 16.810 -0.964 13.187 1.00 15.28 H new ATOM 0 HA ARG A 16 16.750 -3.094 15.300 1.00 15.21 H new ATOM 0 HB2 ARG A 16 14.773 -1.253 15.099 1.00 15.77 H new ATOM 0 HB3 ARG A 16 14.250 -2.322 13.813 1.00 15.77 H new ATOM 0 HG2 ARG A 16 15.104 -3.692 16.336 1.00 21.61 H new ATOM 0 HG3 ARG A 16 13.651 -2.723 16.471 1.00 21.61 H new ATOM 0 HD2 ARG A 16 12.720 -3.906 14.427 1.00 24.15 H new ATOM 0 HD3 ARG A 16 14.144 -4.927 14.404 1.00 24.15 H new ATOM 0 HE ARG A 16 13.188 -5.213 17.043 1.00 30.82 H new ATOM 0 HH11 ARG A 16 11.914 -5.494 13.793 1.00 34.38 H new ATOM 0 HH12 ARG A 16 10.748 -6.748 14.229 1.00 34.38 H new ATOM 0 HH21 ARG A 16 11.698 -6.815 17.592 1.00 25.71 H new ATOM 0 HH22 ARG A 16 10.627 -7.488 16.359 1.00 25.71 H new ATOM 274 N SER A 17 16.405 -4.867 13.503 1.00 22.35 N ATOM 275 CA SER A 17 16.462 -5.854 12.388 1.00 28.62 C ATOM 276 C SER A 17 15.321 -5.579 11.407 1.00 31.32 C ATOM 277 O SER A 17 14.158 -5.663 11.752 1.00 33.90 O ATOM 278 CB SER A 17 16.322 -7.270 12.952 1.00 30.78 C ATOM 279 OG SER A 17 15.787 -7.201 14.267 1.00 38.77 O ATOM 0 H SER A 17 16.406 -5.269 14.441 1.00 22.35 H new ATOM 0 HA SER A 17 17.417 -5.764 11.870 1.00 28.62 H new ATOM 0 HB2 SER A 17 15.670 -7.866 12.313 1.00 30.78 H new ATOM 0 HB3 SER A 17 17.293 -7.765 12.967 1.00 30.78 H new ATOM 0 HG SER A 17 15.694 -8.106 14.630 1.00 38.77 H new ATOM 285 N GLY A 18 15.644 -5.252 10.187 1.00 32.28 N ATOM 286 CA GLY A 18 14.581 -4.972 9.181 1.00 32.82 C ATOM 287 C GLY A 18 14.703 -5.960 8.023 1.00 34.58 C ATOM 288 O GLY A 18 15.724 -6.588 7.840 1.00 34.04 O ATOM 0 H GLY A 18 16.600 -5.166 9.842 1.00 32.28 H new ATOM 0 HA2 GLY A 18 13.597 -5.056 9.643 1.00 32.82 H new ATOM 0 HA3 GLY A 18 14.674 -3.950 8.813 1.00 32.82 H new ATOM 292 N VAL A 19 13.677 -6.098 7.231 1.00 36.31 N ATOM 293 CA VAL A 19 13.757 -7.037 6.077 1.00 38.94 C ATOM 294 C VAL A 19 12.985 -6.451 4.895 1.00 39.44 C ATOM 295 O VAL A 19 11.779 -6.305 4.936 1.00 39.08 O ATOM 296 CB VAL A 19 13.159 -8.393 6.456 1.00 39.83 C ATOM 297 CG1 VAL A 19 13.864 -9.500 5.668 1.00 41.87 C ATOM 298 CG2 VAL A 19 13.344 -8.636 7.957 1.00 39.95 C ATOM 0 H VAL A 19 12.790 -5.604 7.331 1.00 36.31 H new ATOM 0 HA VAL A 19 14.803 -7.177 5.803 1.00 38.94 H new ATOM 0 HB VAL A 19 12.095 -8.398 6.218 1.00 39.83 H new ATOM 0 HG11 VAL A 19 13.438 -10.466 5.938 1.00 41.87 H new ATOM 0 HG12 VAL A 19 13.729 -9.329 4.600 1.00 41.87 H new ATOM 0 HG13 VAL A 19 14.928 -9.494 5.904 1.00 41.87 H new ATOM 0 HG21 VAL A 19 12.917 -9.603 8.224 1.00 39.95 H new ATOM 0 HG22 VAL A 19 14.407 -8.629 8.198 1.00 39.95 H new ATOM 0 HG23 VAL A 19 12.840 -7.849 8.518 1.00 39.95 H new ATOM 308 N SER A 20 13.676 -6.104 3.847 1.00 41.09 N ATOM 309 CA SER A 20 12.995 -5.515 2.661 1.00 44.70 C ATOM 310 C SER A 20 11.767 -6.353 2.304 1.00 47.21 C ATOM 311 O SER A 20 10.662 -6.060 2.716 1.00 47.07 O ATOM 312 CB SER A 20 13.962 -5.494 1.477 1.00 44.37 C ATOM 313 OG SER A 20 14.720 -4.292 1.511 1.00 46.57 O ATOM 0 H SER A 20 14.687 -6.203 3.760 1.00 41.09 H new ATOM 0 HA SER A 20 12.681 -4.497 2.892 1.00 44.70 H new ATOM 0 HB2 SER A 20 14.626 -6.357 1.519 1.00 44.37 H new ATOM 0 HB3 SER A 20 13.409 -5.563 0.540 1.00 44.37 H new ATOM 0 HG SER A 20 15.342 -4.276 0.754 1.00 46.57 H new ATOM 319 N ARG A 21 11.950 -7.393 1.539 1.00 50.78 N ATOM 320 CA ARG A 21 10.793 -8.248 1.153 1.00 55.55 C ATOM 321 C ARG A 21 11.129 -9.714 1.431 1.00 55.58 C ATOM 322 O ARG A 21 11.110 -10.544 0.544 1.00 54.47 O ATOM 323 CB ARG A 21 10.501 -8.065 -0.337 1.00 59.49 C ATOM 324 CG ARG A 21 11.767 -8.358 -1.143 1.00 60.53 C ATOM 325 CD ARG A 21 12.064 -7.182 -2.075 1.00 64.36 C ATOM 326 NE ARG A 21 12.740 -7.682 -3.305 1.00 68.68 N ATOM 327 CZ ARG A 21 12.825 -6.921 -4.363 1.00 71.11 C ATOM 328 NH1 ARG A 21 12.319 -5.717 -4.349 1.00 70.71 N ATOM 329 NH2 ARG A 21 13.417 -7.366 -5.438 1.00 71.56 N ATOM 0 H ARG A 21 12.852 -7.688 1.164 1.00 50.78 H new ATOM 0 HA ARG A 21 9.917 -7.960 1.733 1.00 55.55 H new ATOM 0 HB2 ARG A 21 9.697 -8.733 -0.646 1.00 59.49 H new ATOM 0 HB3 ARG A 21 10.161 -7.047 -0.530 1.00 59.49 H new ATOM 0 HG2 ARG A 21 12.609 -8.524 -0.470 1.00 60.53 H new ATOM 0 HG3 ARG A 21 11.638 -9.272 -1.723 1.00 60.53 H new ATOM 0 HD2 ARG A 21 11.138 -6.670 -2.338 1.00 64.36 H new ATOM 0 HD3 ARG A 21 12.698 -6.454 -1.569 1.00 64.36 H new ATOM 0 HE ARG A 21 13.137 -8.621 -3.321 1.00 68.68 H new ATOM 0 HH11 ARG A 21 11.856 -5.368 -3.510 1.00 70.71 H new ATOM 0 HH12 ARG A 21 12.387 -5.125 -5.177 1.00 70.71 H new ATOM 0 HH21 ARG A 21 13.812 -8.306 -5.451 1.00 71.56 H new ATOM 0 HH22 ARG A 21 13.485 -6.773 -6.265 1.00 71.56 H new ATOM 343 N GLN A 22 11.440 -10.040 2.656 1.00 57.32 N ATOM 344 CA GLN A 22 11.780 -11.452 2.987 1.00 58.73 C ATOM 345 C GLN A 22 12.976 -11.895 2.145 1.00 58.18 C ATOM 346 O GLN A 22 13.258 -13.070 2.018 1.00 59.52 O ATOM 347 CB GLN A 22 10.580 -12.351 2.685 1.00 62.32 C ATOM 348 CG GLN A 22 9.395 -11.934 3.559 1.00 65.12 C ATOM 349 CD GLN A 22 8.087 -12.256 2.835 1.00 66.38 C ATOM 350 OE1 GLN A 22 7.508 -11.403 2.192 1.00 66.60 O ATOM 351 NE2 GLN A 22 7.594 -13.462 2.912 1.00 65.96 N ATOM 0 H GLN A 22 11.473 -9.390 3.441 1.00 57.32 H new ATOM 0 HA GLN A 22 12.031 -11.529 4.045 1.00 58.73 H new ATOM 0 HB2 GLN A 22 10.312 -12.276 1.631 1.00 62.32 H new ATOM 0 HB3 GLN A 22 10.836 -13.393 2.875 1.00 62.32 H new ATOM 0 HG2 GLN A 22 9.432 -12.458 4.514 1.00 65.12 H new ATOM 0 HG3 GLN A 22 9.449 -10.868 3.778 1.00 65.12 H new ATOM 0 HE21 GLN A 22 8.080 -14.178 3.452 1.00 65.96 H new ATOM 0 HE22 GLN A 22 6.723 -13.688 2.432 1.00 65.96 H new ATOM 360 N GLY A 23 13.684 -10.962 1.570 1.00 55.49 N ATOM 361 CA GLY A 23 14.864 -11.326 0.738 1.00 50.89 C ATOM 362 C GLY A 23 16.133 -11.218 1.585 1.00 48.17 C ATOM 363 O GLY A 23 16.891 -12.160 1.709 1.00 50.32 O ATOM 0 H GLY A 23 13.495 -9.962 1.641 1.00 55.49 H new ATOM 0 HA2 GLY A 23 14.754 -12.340 0.355 1.00 50.89 H new ATOM 0 HA3 GLY A 23 14.932 -10.665 -0.126 1.00 50.89 H new ATOM 367 N LYS A 24 16.367 -10.077 2.172 1.00 44.99 N ATOM 368 CA LYS A 24 17.583 -9.908 3.014 1.00 42.22 C ATOM 369 C LYS A 24 17.257 -8.981 4.189 1.00 42.41 C ATOM 370 O LYS A 24 16.388 -8.138 4.088 1.00 42.26 O ATOM 371 CB LYS A 24 18.706 -9.297 2.173 1.00 40.33 C ATOM 372 CG LYS A 24 19.404 -10.400 1.375 1.00 40.86 C ATOM 373 CD LYS A 24 20.768 -9.899 0.896 1.00 37.00 C ATOM 374 CE LYS A 24 21.456 -10.993 0.077 1.00 36.58 C ATOM 375 NZ LYS A 24 22.912 -11.007 0.392 1.00 34.22 N ATOM 0 H LYS A 24 15.768 -9.254 2.105 1.00 44.99 H new ATOM 0 HA LYS A 24 17.905 -10.878 3.393 1.00 42.22 H new ATOM 0 HB2 LYS A 24 18.300 -8.545 1.496 1.00 40.33 H new ATOM 0 HB3 LYS A 24 19.424 -8.791 2.818 1.00 40.33 H new ATOM 0 HG2 LYS A 24 19.528 -11.288 1.994 1.00 40.86 H new ATOM 0 HG3 LYS A 24 18.791 -10.689 0.522 1.00 40.86 H new ATOM 0 HD2 LYS A 24 20.645 -9.000 0.291 1.00 37.00 H new ATOM 0 HD3 LYS A 24 21.387 -9.626 1.750 1.00 37.00 H new ATOM 0 HE2 LYS A 24 21.015 -11.964 0.303 1.00 36.58 H new ATOM 0 HE3 LYS A 24 21.305 -10.815 -0.988 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 23.380 -11.750 -0.164 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 23.327 -10.083 0.155 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 23.046 -11.197 1.406 1.00 34.22 H new ATOM 389 N PRO A 25 17.963 -9.170 5.274 1.00 42.36 N ATOM 390 CA PRO A 25 17.772 -8.370 6.494 1.00 40.32 C ATOM 391 C PRO A 25 18.423 -6.991 6.348 1.00 36.91 C ATOM 392 O PRO A 25 19.565 -6.872 5.952 1.00 36.63 O ATOM 393 CB PRO A 25 18.466 -9.191 7.579 1.00 42.73 C ATOM 394 CG PRO A 25 19.477 -10.100 6.851 1.00 43.71 C ATOM 395 CD PRO A 25 19.018 -10.196 5.385 1.00 44.10 C ATOM 0 HA PRO A 25 16.722 -8.182 6.717 1.00 40.32 H new ATOM 0 HB2 PRO A 25 18.971 -8.542 8.295 1.00 42.73 H new ATOM 0 HB3 PRO A 25 17.744 -9.784 8.140 1.00 42.73 H new ATOM 0 HG2 PRO A 25 20.483 -9.686 6.914 1.00 43.71 H new ATOM 0 HG3 PRO A 25 19.509 -11.088 7.311 1.00 43.71 H new ATOM 0 HD2 PRO A 25 19.839 -10.000 4.696 1.00 44.10 H new ATOM 0 HD3 PRO A 25 18.635 -11.189 5.151 1.00 44.10 H new ATOM 403 N TYR A 26 17.704 -5.950 6.669 1.00 32.09 N ATOM 404 CA TYR A 26 18.279 -4.584 6.553 1.00 27.86 C ATOM 405 C TYR A 26 18.018 -3.801 7.845 1.00 26.29 C ATOM 406 O TYR A 26 16.942 -3.286 8.075 1.00 28.07 O ATOM 407 CB TYR A 26 17.663 -3.868 5.340 1.00 23.99 C ATOM 408 CG TYR A 26 16.263 -3.364 5.640 1.00 24.09 C ATOM 409 CD1 TYR A 26 15.180 -4.251 5.693 1.00 24.19 C ATOM 410 CD2 TYR A 26 16.052 -1.993 5.830 1.00 24.63 C ATOM 411 CE1 TYR A 26 13.888 -3.761 5.942 1.00 24.77 C ATOM 412 CE2 TYR A 26 14.762 -1.509 6.075 1.00 24.84 C ATOM 413 CZ TYR A 26 13.683 -2.393 6.131 1.00 24.25 C ATOM 414 OH TYR A 26 12.411 -1.913 6.372 1.00 29.25 O ATOM 0 H TYR A 26 16.742 -5.989 7.007 1.00 32.09 H new ATOM 0 HA TYR A 26 19.357 -4.649 6.405 1.00 27.86 H new ATOM 0 HB2 TYR A 26 18.298 -3.030 5.050 1.00 23.99 H new ATOM 0 HB3 TYR A 26 17.630 -4.551 4.491 1.00 23.99 H new ATOM 0 HD1 TYR A 26 15.338 -5.309 5.543 1.00 24.19 H new ATOM 0 HD2 TYR A 26 16.886 -1.308 5.787 1.00 24.63 H new ATOM 0 HE1 TYR A 26 13.052 -4.443 5.987 1.00 24.77 H new ATOM 0 HE2 TYR A 26 14.601 -0.451 6.221 1.00 24.84 H new ATOM 0 HH TYR A 26 12.444 -0.940 6.482 1.00 29.25 H new ATOM 424 N SER A 27 19.005 -3.717 8.698 1.00 24.52 N ATOM 425 CA SER A 27 18.829 -2.975 9.979 1.00 22.20 C ATOM 426 C SER A 27 18.765 -1.475 9.685 1.00 20.52 C ATOM 427 O SER A 27 19.718 -0.751 9.895 1.00 23.07 O ATOM 428 CB SER A 27 20.014 -3.262 10.901 1.00 25.30 C ATOM 429 OG SER A 27 20.305 -4.654 10.872 1.00 29.25 O ATOM 0 H SER A 27 19.927 -4.132 8.561 1.00 24.52 H new ATOM 0 HA SER A 27 17.907 -3.294 10.464 1.00 22.20 H new ATOM 0 HB2 SER A 27 20.885 -2.690 10.582 1.00 25.30 H new ATOM 0 HB3 SER A 27 19.782 -2.948 11.919 1.00 25.30 H new ATOM 0 HG SER A 27 21.066 -4.842 11.461 1.00 29.25 H new ATOM 435 N LEU A 28 17.655 -1.007 9.191 1.00 18.57 N ATOM 436 CA LEU A 28 17.532 0.442 8.871 1.00 16.31 C ATOM 437 C LEU A 28 17.056 1.217 10.103 1.00 14.21 C ATOM 438 O LEU A 28 16.240 0.747 10.871 1.00 16.97 O ATOM 439 CB LEU A 28 16.522 0.614 7.739 1.00 16.48 C ATOM 440 CG LEU A 28 17.227 1.124 6.478 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.568 2.606 6.645 1.00 24.00 C ATOM 442 CD2 LEU A 28 18.513 0.325 6.249 1.00 22.01 C ATOM 0 H LEU A 28 16.825 -1.566 8.994 1.00 18.57 H new ATOM 0 HA LEU A 28 18.504 0.829 8.567 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.031 -0.337 7.531 1.00 16.48 H new ATOM 0 HB3 LEU A 28 15.744 1.316 8.039 1.00 16.48 H new ATOM 0 HG LEU A 28 16.566 0.999 5.620 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.069 2.967 5.747 1.00 24.00 H new ATOM 0 HD12 LEU A 28 16.652 3.175 6.803 1.00 24.00 H new ATOM 0 HD13 LEU A 28 18.226 2.733 7.504 1.00 24.00 H new ATOM 0 HD21 LEU A 28 19.013 0.689 5.352 1.00 22.01 H new ATOM 0 HD22 LEU A 28 19.174 0.446 7.107 1.00 22.01 H new ATOM 0 HD23 LEU A 28 18.269 -0.730 6.125 1.00 22.01 H new ATOM 454 N ASN A 29 17.561 2.406 10.291 1.00 11.64 N ATOM 455 CA ASN A 29 17.146 3.229 11.464 1.00 9.77 C ATOM 456 C ASN A 29 15.618 3.302 11.535 1.00 7.94 C ATOM 457 O ASN A 29 14.968 3.750 10.612 1.00 10.52 O ATOM 458 CB ASN A 29 17.676 4.650 11.298 1.00 14.73 C ATOM 459 CG ASN A 29 19.195 4.681 11.435 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.819 3.671 11.692 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.818 5.818 11.272 1.00 12.89 N ATOM 0 H ASN A 29 18.248 2.846 9.678 1.00 11.64 H new ATOM 0 HA ASN A 29 17.544 2.773 12.370 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.386 5.039 10.322 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.225 5.301 12.047 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.833 5.860 11.360 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.289 6.663 11.056 1.00 12.89 H new ATOM 468 N GLU A 30 15.040 2.899 12.631 1.00 8.58 N ATOM 469 CA GLU A 30 13.558 2.985 12.761 1.00 13.16 C ATOM 470 C GLU A 30 13.224 4.248 13.561 1.00 12.26 C ATOM 471 O GLU A 30 14.035 4.728 14.325 1.00 10.58 O ATOM 472 CB GLU A 30 13.030 1.752 13.500 1.00 14.93 C ATOM 473 CG GLU A 30 12.901 0.584 12.521 1.00 27.13 C ATOM 474 CD GLU A 30 14.243 -0.143 12.412 1.00 33.28 C ATOM 475 OE1 GLU A 30 15.107 0.124 13.231 1.00 38.01 O ATOM 476 OE2 GLU A 30 14.383 -0.954 11.512 1.00 40.03 O ATOM 0 H GLU A 30 15.527 2.515 13.441 1.00 8.58 H new ATOM 0 HA GLU A 30 13.094 3.026 11.775 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.706 1.486 14.313 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.062 1.972 13.949 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.129 -0.106 12.861 1.00 27.13 H new ATOM 0 HG3 GLU A 30 12.593 0.949 11.541 1.00 27.13 H new ATOM 483 N GLN A 31 12.051 4.800 13.396 1.00 10.34 N ATOM 484 CA GLN A 31 11.713 6.037 14.161 1.00 9.46 C ATOM 485 C GLN A 31 10.224 6.060 14.505 1.00 10.09 C ATOM 486 O GLN A 31 9.483 5.157 14.171 1.00 9.36 O ATOM 487 CB GLN A 31 12.054 7.272 13.321 1.00 7.25 C ATOM 488 CG GLN A 31 12.520 8.404 14.241 1.00 10.62 C ATOM 489 CD GLN A 31 11.542 9.577 14.147 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.555 9.503 13.443 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.776 10.664 14.830 1.00 12.39 N ATOM 0 H GLN A 31 11.321 4.454 12.774 1.00 10.34 H new ATOM 0 HA GLN A 31 12.293 6.045 15.084 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.835 7.030 12.600 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.181 7.589 12.750 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.580 8.049 15.270 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.521 8.728 13.957 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.605 10.726 15.421 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.130 11.451 14.773 1.00 12.39 H new ATOM 500 N LEU A 32 9.783 7.091 15.177 1.00 6.80 N ATOM 501 CA LEU A 32 8.346 7.179 15.551 1.00 10.34 C ATOM 502 C LEU A 32 7.847 8.618 15.380 1.00 9.02 C ATOM 503 O LEU A 32 8.568 9.570 15.602 1.00 11.15 O ATOM 504 CB LEU A 32 8.181 6.742 17.006 1.00 10.20 C ATOM 505 CG LEU A 32 8.418 5.235 17.107 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.676 4.851 18.565 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.183 4.490 16.592 1.00 15.89 C ATOM 0 H LEU A 32 10.359 7.876 15.482 1.00 6.80 H new ATOM 0 HA LEU A 32 7.761 6.526 14.903 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.887 7.277 17.641 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.181 6.990 17.362 1.00 10.20 H new ATOM 0 HG LEU A 32 9.285 4.964 16.505 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.845 3.776 18.634 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.556 5.380 18.930 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.812 5.122 19.171 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.350 3.415 16.663 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.316 4.763 17.194 1.00 15.89 H new ATOM 0 HD23 LEU A 32 7.002 4.761 15.552 1.00 15.89 H new ATOM 519 N CYS A 33 6.608 8.774 14.996 1.00 9.68 N ATOM 520 CA CYS A 33 6.024 10.130 14.814 1.00 8.10 C ATOM 521 C CYS A 33 4.526 10.007 15.041 1.00 6.34 C ATOM 522 O CYS A 33 4.040 8.947 15.364 1.00 8.02 O ATOM 523 CB CYS A 33 6.290 10.650 13.395 1.00 8.88 C ATOM 524 SG CYS A 33 7.971 10.218 12.888 1.00 13.84 S ATOM 0 H CYS A 33 5.968 8.005 14.798 1.00 9.68 H new ATOM 0 HA CYS A 33 6.475 10.832 15.515 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.569 10.220 12.700 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.158 11.731 13.364 1.00 8.88 H new ATOM 0 HG CYS A 33 8.739 10.162 13.935 1.00 13.84 H new ATOM 530 N TYR A 34 3.782 11.057 14.881 1.00 7.35 N ATOM 531 CA TYR A 34 2.317 10.943 15.107 1.00 7.08 C ATOM 532 C TYR A 34 1.561 11.499 13.905 1.00 7.71 C ATOM 533 O TYR A 34 1.600 12.680 13.629 1.00 7.80 O ATOM 534 CB TYR A 34 1.934 11.737 16.348 1.00 8.67 C ATOM 535 CG TYR A 34 2.158 10.901 17.585 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.150 10.047 18.050 1.00 12.44 C ATOM 537 CD2 TYR A 34 3.365 11.007 18.283 1.00 13.61 C ATOM 538 CE1 TYR A 34 1.349 9.303 19.214 1.00 16.38 C ATOM 539 CE2 TYR A 34 3.565 10.258 19.445 1.00 17.22 C ATOM 540 CZ TYR A 34 2.555 9.410 19.911 1.00 16.83 C ATOM 541 OH TYR A 34 2.752 8.675 21.062 1.00 21.14 O ATOM 0 H TYR A 34 4.116 11.981 14.607 1.00 7.35 H new ATOM 0 HA TYR A 34 2.057 9.893 15.243 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.527 12.650 16.403 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.889 12.040 16.288 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.219 9.964 17.508 1.00 12.44 H new ATOM 0 HD2 TYR A 34 4.141 11.667 17.924 1.00 13.61 H new ATOM 0 HE1 TYR A 34 0.572 8.646 19.575 1.00 16.38 H new ATOM 0 HE2 TYR A 34 4.498 10.334 19.983 1.00 17.22 H new ATOM 0 HH TYR A 34 3.643 8.865 21.423 1.00 21.14 H new ATOM 551 N VAL A 35 0.868 10.660 13.188 1.00 9.44 N ATOM 552 CA VAL A 35 0.114 11.152 12.005 1.00 10.66 C ATOM 553 C VAL A 35 -1.385 11.162 12.303 1.00 10.57 C ATOM 554 O VAL A 35 -1.993 10.129 12.503 1.00 8.31 O ATOM 555 CB VAL A 35 0.385 10.241 10.807 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.321 10.805 9.572 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.893 10.176 10.549 1.00 9.86 C ATOM 0 H VAL A 35 0.792 9.659 13.370 1.00 9.44 H new ATOM 0 HA VAL A 35 0.441 12.166 11.776 1.00 10.66 H new ATOM 0 HB VAL A 35 0.009 9.239 11.016 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.130 10.158 8.716 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.394 10.854 9.757 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.057 11.805 9.362 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.088 9.527 9.695 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.269 11.177 10.338 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.396 9.778 11.430 1.00 9.86 H new ATOM 567 N ASP A 36 -1.993 12.318 12.318 1.00 8.58 N ATOM 568 CA ASP A 36 -3.446 12.378 12.575 1.00 11.48 C ATOM 569 C ASP A 36 -4.153 11.669 11.424 1.00 12.38 C ATOM 570 O ASP A 36 -5.140 10.991 11.607 1.00 11.89 O ATOM 571 CB ASP A 36 -3.901 13.837 12.641 1.00 16.17 C ATOM 572 CG ASP A 36 -3.121 14.566 13.737 1.00 17.97 C ATOM 573 OD1 ASP A 36 -3.205 14.142 14.878 1.00 25.89 O ATOM 574 OD2 ASP A 36 -2.454 15.536 13.417 1.00 15.67 O ATOM 0 H ASP A 36 -1.540 13.218 12.163 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.685 11.898 13.524 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.738 14.324 11.679 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.970 13.887 12.847 1.00 16.17 H new ATOM 579 N LEU A 37 -3.636 11.814 10.233 1.00 13.17 N ATOM 580 CA LEU A 37 -4.255 11.143 9.057 1.00 18.47 C ATOM 581 C LEU A 37 -5.769 11.354 9.075 1.00 21.14 C ATOM 582 O LEU A 37 -6.536 10.428 8.912 1.00 24.24 O ATOM 583 CB LEU A 37 -3.954 9.646 9.118 1.00 15.81 C ATOM 584 CG LEU A 37 -4.607 8.946 7.930 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.542 8.178 7.144 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.672 7.970 8.437 1.00 20.01 C ATOM 0 H LEU A 37 -2.808 12.371 10.025 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.844 11.568 8.141 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -2.877 9.480 9.104 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.329 9.227 10.052 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.073 9.687 7.281 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.007 7.677 6.295 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.783 8.873 6.784 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.076 7.436 7.792 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.140 7.469 7.589 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.206 7.228 9.085 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.430 8.517 8.998 1.00 20.01 H new ATOM 598 N GLY A 38 -6.213 12.562 9.270 1.00 20.70 N ATOM 599 CA GLY A 38 -7.678 12.807 9.296 1.00 23.91 C ATOM 600 C GLY A 38 -8.248 12.346 10.643 1.00 26.50 C ATOM 601 O GLY A 38 -9.426 12.476 10.910 1.00 31.02 O ATOM 0 H GLY A 38 -5.628 13.386 9.412 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.883 13.867 9.145 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.162 12.270 8.481 1.00 23.91 H new ATOM 605 N ASN A 39 -7.411 11.817 11.498 1.00 27.64 N ATOM 606 CA ASN A 39 -7.873 11.357 12.828 1.00 30.27 C ATOM 607 C ASN A 39 -7.393 12.358 13.876 1.00 26.79 C ATOM 608 O ASN A 39 -6.271 12.297 14.331 1.00 26.87 O ATOM 609 CB ASN A 39 -7.292 9.972 13.149 1.00 35.62 C ATOM 610 CG ASN A 39 -6.953 9.223 11.857 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.727 9.221 10.920 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.816 8.580 11.770 1.00 39.63 N ATOM 0 H ASN A 39 -6.415 11.685 11.322 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.961 11.287 12.831 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.396 10.079 13.760 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.010 9.396 13.733 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.579 8.077 10.915 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.167 8.582 12.557 1.00 39.63 H new ATOM 619 N GLU A 40 -8.239 13.285 14.231 1.00 25.15 N ATOM 620 CA GLU A 40 -7.880 14.337 15.238 1.00 23.81 C ATOM 621 C GLU A 40 -6.815 13.828 16.209 1.00 21.12 C ATOM 622 O GLU A 40 -5.883 14.528 16.551 1.00 19.86 O ATOM 623 CB GLU A 40 -9.132 14.735 16.021 1.00 27.22 C ATOM 624 CG GLU A 40 -9.907 15.798 15.240 1.00 34.87 C ATOM 625 CD GLU A 40 -11.241 15.216 14.768 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.297 14.017 14.550 1.00 39.54 O ATOM 627 OE2 GLU A 40 -12.183 15.979 14.634 1.00 42.34 O ATOM 0 H GLU A 40 -9.186 13.363 13.860 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.477 15.200 14.708 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.762 13.861 16.189 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -8.853 15.120 17.002 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.082 16.671 15.869 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -9.322 16.134 14.384 1.00 34.87 H new ATOM 634 N HIS A 41 -6.942 12.614 16.643 1.00 4.81 N ATOM 635 CA HIS A 41 -5.932 12.046 17.584 1.00 4.39 C ATOM 636 C HIS A 41 -4.690 11.643 16.784 1.00 3.38 C ATOM 637 O HIS A 41 -4.806 11.142 15.684 1.00 2.51 O ATOM 638 CB HIS A 41 -6.513 10.814 18.282 1.00 4.79 C ATOM 639 CG HIS A 41 -7.839 11.162 18.899 1.00 4.35 C ATOM 640 ND1 HIS A 41 -9.037 10.986 18.225 1.00 4.60 N ATOM 641 CD2 HIS A 41 -8.171 11.674 20.128 1.00 5.16 C ATOM 642 CE1 HIS A 41 -10.026 11.385 19.046 1.00 5.82 C ATOM 643 NE2 HIS A 41 -9.553 11.814 20.220 1.00 6.57 N ATOM 0 H HIS A 41 -7.702 11.983 16.390 1.00 4.81 H new ATOM 0 HA HIS A 41 -5.667 12.789 18.337 1.00 4.39 H new ATOM 0 HB2 HIS A 41 -6.636 10.002 17.565 1.00 4.79 H new ATOM 0 HB3 HIS A 41 -5.825 10.460 19.050 1.00 4.79 H new ATOM 0 HD2 HIS A 41 -7.467 11.930 20.906 1.00 5.16 H new ATOM 0 HE1 HIS A 41 -11.074 11.361 18.788 1.00 5.82 H new ATOM 0 HE2 HIS A 41 -10.089 12.168 21.012 1.00 6.57 H new ATOM 651 N PRO A 42 -3.535 11.877 17.350 1.00 15.11 N ATOM 652 CA PRO A 42 -2.264 11.551 16.686 1.00 16.08 C ATOM 653 C PRO A 42 -1.999 10.053 16.749 1.00 17.92 C ATOM 654 O PRO A 42 -2.178 9.420 17.770 1.00 17.13 O ATOM 655 CB PRO A 42 -1.221 12.306 17.503 1.00 16.41 C ATOM 656 CG PRO A 42 -1.849 12.544 18.891 1.00 13.79 C ATOM 657 CD PRO A 42 -3.380 12.471 18.694 1.00 16.28 C ATOM 0 HA PRO A 42 -2.258 11.825 15.631 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.300 11.729 17.587 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.963 13.251 17.026 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.513 11.791 19.604 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.554 13.515 19.290 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.853 11.856 19.460 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.838 13.459 18.750 1.00 16.28 H new ATOM 665 N VAL A 43 -1.558 9.484 15.669 1.00 16.29 N ATOM 666 CA VAL A 43 -1.265 8.032 15.676 1.00 14.28 C ATOM 667 C VAL A 43 0.244 7.841 15.648 1.00 9.00 C ATOM 668 O VAL A 43 0.916 8.246 14.720 1.00 7.99 O ATOM 669 CB VAL A 43 -1.904 7.369 14.456 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.328 7.901 14.275 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.079 7.682 13.204 1.00 20.57 C ATOM 0 H VAL A 43 -1.388 9.961 14.783 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.676 7.572 16.574 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.933 6.290 14.607 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.785 7.429 13.405 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.917 7.673 15.163 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.297 8.981 14.128 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.539 7.207 12.337 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.045 8.761 13.051 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.066 7.301 13.331 1.00 20.57 H new ATOM 681 N LEU A 44 0.788 7.244 16.665 1.00 10.19 N ATOM 682 CA LEU A 44 2.254 7.053 16.699 1.00 11.55 C ATOM 683 C LEU A 44 2.683 6.099 15.584 1.00 10.61 C ATOM 684 O LEU A 44 2.617 4.893 15.714 1.00 13.49 O ATOM 685 CB LEU A 44 2.667 6.498 18.053 1.00 10.60 C ATOM 686 CG LEU A 44 4.174 6.268 18.057 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.892 7.614 17.927 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.585 5.594 19.368 1.00 20.21 C ATOM 0 H LEU A 44 0.280 6.881 17.472 1.00 10.19 H new ATOM 0 HA LEU A 44 2.745 8.014 16.545 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.390 7.194 18.845 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.143 5.563 18.252 1.00 10.60 H new ATOM 0 HG LEU A 44 4.447 5.626 17.220 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.970 7.453 17.930 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.599 8.094 16.993 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.619 8.255 18.766 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.663 5.430 19.370 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.314 6.235 20.207 1.00 20.21 H new ATOM 0 HD23 LEU A 44 4.072 4.637 19.462 1.00 20.21 H new ATOM 700 N VAL A 45 3.130 6.647 14.492 1.00 10.81 N ATOM 701 CA VAL A 45 3.582 5.807 13.344 1.00 9.29 C ATOM 702 C VAL A 45 5.107 5.708 13.376 1.00 9.95 C ATOM 703 O VAL A 45 5.762 6.411 14.121 1.00 9.36 O ATOM 704 CB VAL A 45 3.122 6.447 12.038 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.910 5.866 10.860 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.629 6.167 11.840 1.00 10.20 C ATOM 0 H VAL A 45 3.204 7.653 14.341 1.00 10.81 H new ATOM 0 HA VAL A 45 3.154 4.807 13.416 1.00 9.29 H new ATOM 0 HB VAL A 45 3.296 7.522 12.084 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.573 6.330 9.933 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.973 6.064 11.000 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.745 4.790 10.808 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.294 6.622 10.908 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.463 5.091 11.798 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.066 6.589 12.673 1.00 10.20 H new ATOM 716 N LYS A 46 5.685 4.835 12.597 1.00 10.76 N ATOM 717 CA LYS A 46 7.167 4.708 12.632 1.00 12.81 C ATOM 718 C LYS A 46 7.795 5.066 11.281 1.00 13.35 C ATOM 719 O LYS A 46 7.229 4.836 10.231 1.00 12.90 O ATOM 720 CB LYS A 46 7.550 3.276 13.010 1.00 17.04 C ATOM 721 CG LYS A 46 7.220 2.330 11.854 1.00 26.60 C ATOM 722 CD LYS A 46 7.941 0.998 12.065 1.00 33.77 C ATOM 723 CE LYS A 46 7.677 0.492 13.485 1.00 34.48 C ATOM 724 NZ LYS A 46 6.257 0.055 13.600 1.00 36.74 N ATOM 0 H LYS A 46 5.203 4.213 11.948 1.00 10.76 H new ATOM 0 HA LYS A 46 7.547 5.407 13.377 1.00 12.81 H new ATOM 0 HB2 LYS A 46 8.614 3.224 13.243 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.012 2.970 13.907 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.144 2.168 11.798 1.00 26.60 H new ATOM 0 HG3 LYS A 46 7.525 2.775 10.907 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.594 0.265 11.336 1.00 33.77 H new ATOM 0 HD3 LYS A 46 9.012 1.123 11.906 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.344 -0.338 13.717 1.00 34.48 H new ATOM 0 HE3 LYS A 46 7.886 1.280 14.208 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 5.798 0.568 14.379 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 5.758 0.258 12.710 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.223 -0.967 13.791 1.00 36.74 H new ATOM 738 N ILE A 47 8.982 5.618 11.319 1.00 13.96 N ATOM 739 CA ILE A 47 9.697 5.993 10.069 1.00 16.93 C ATOM 740 C ILE A 47 10.921 5.090 9.919 1.00 16.52 C ATOM 741 O ILE A 47 11.203 4.266 10.767 1.00 17.67 O ATOM 742 CB ILE A 47 10.173 7.451 10.144 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.270 8.259 11.084 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.145 8.074 8.746 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.963 8.617 10.374 1.00 18.26 C ATOM 0 H ILE A 47 9.490 5.826 12.178 1.00 13.96 H new ATOM 0 HA ILE A 47 9.021 5.879 9.221 1.00 16.93 H new ATOM 0 HB ILE A 47 11.192 7.468 10.532 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.058 7.681 11.984 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.782 9.168 11.401 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.483 9.109 8.802 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.804 7.512 8.084 1.00 18.08 H new ATOM 0 HG23 ILE A 47 9.128 8.045 8.355 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.328 9.191 11.049 1.00 18.26 H new ATOM 0 HD12 ILE A 47 8.182 9.212 9.488 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.447 7.703 10.079 1.00 18.26 H new ATOM 757 N THR A 48 11.657 5.242 8.855 1.00 16.86 N ATOM 758 CA THR A 48 12.865 4.397 8.664 1.00 16.59 C ATOM 759 C THR A 48 14.081 5.294 8.416 1.00 19.04 C ATOM 760 O THR A 48 14.563 5.410 7.307 1.00 22.56 O ATOM 761 CB THR A 48 12.657 3.477 7.465 1.00 16.30 C ATOM 762 OG1 THR A 48 11.321 3.602 6.998 1.00 17.90 O ATOM 763 CG2 THR A 48 12.922 2.033 7.884 1.00 16.02 C ATOM 0 H THR A 48 11.474 5.915 8.110 1.00 16.86 H new ATOM 0 HA THR A 48 13.034 3.796 9.558 1.00 16.59 H new ATOM 0 HB THR A 48 13.345 3.755 6.667 1.00 16.30 H new ATOM 0 HG1 THR A 48 10.979 2.719 6.746 1.00 17.90 H new ATOM 0 HG21 THR A 48 12.774 1.373 7.029 1.00 16.02 H new ATOM 0 HG22 THR A 48 13.948 1.940 8.241 1.00 16.02 H new ATOM 0 HG23 THR A 48 12.234 1.753 8.682 1.00 16.02 H new ATOM 771 N LEU A 49 14.580 5.924 9.444 1.00 18.35 N ATOM 772 CA LEU A 49 15.766 6.811 9.282 1.00 18.82 C ATOM 773 C LEU A 49 16.787 6.126 8.368 1.00 20.06 C ATOM 774 O LEU A 49 16.865 4.915 8.308 1.00 18.35 O ATOM 775 CB LEU A 49 16.389 7.066 10.665 1.00 18.79 C ATOM 776 CG LEU A 49 16.185 8.520 11.104 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.304 9.390 10.522 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.827 9.043 10.620 1.00 14.50 C ATOM 0 H LEU A 49 14.215 5.862 10.394 1.00 18.35 H new ATOM 0 HA LEU A 49 15.468 7.760 8.837 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.941 6.395 11.398 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.455 6.838 10.635 1.00 18.79 H new ATOM 0 HG LEU A 49 16.209 8.564 12.193 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.160 10.425 10.834 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.268 9.033 10.884 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.281 9.332 9.434 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.700 10.077 10.941 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.785 8.993 9.532 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.030 8.431 11.042 1.00 14.50 H new ATOM 790 N ASP A 50 17.565 6.888 7.650 1.00 22.62 N ATOM 791 CA ASP A 50 18.573 6.274 6.739 1.00 27.04 C ATOM 792 C ASP A 50 19.966 6.793 7.097 1.00 27.73 C ATOM 793 O ASP A 50 20.127 7.913 7.537 1.00 26.65 O ATOM 794 CB ASP A 50 18.245 6.646 5.291 1.00 29.11 C ATOM 795 CG ASP A 50 18.885 5.628 4.345 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.357 4.613 4.830 1.00 30.76 O ATOM 797 OD2 ASP A 50 18.893 5.882 3.152 1.00 33.99 O ATOM 0 H ASP A 50 17.547 7.908 7.654 1.00 22.62 H new ATOM 0 HA ASP A 50 18.550 5.190 6.849 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.165 6.665 5.145 1.00 29.11 H new ATOM 0 HB3 ASP A 50 18.614 7.647 5.069 1.00 29.11 H new ATOM 802 N GLU A 51 20.976 5.990 6.913 1.00 31.16 N ATOM 803 CA GLU A 51 22.355 6.448 7.246 1.00 34.22 C ATOM 804 C GLU A 51 22.355 7.076 8.641 1.00 34.98 C ATOM 805 O GLU A 51 21.590 6.694 9.504 1.00 34.19 O ATOM 806 CB GLU A 51 22.810 7.487 6.219 1.00 38.24 C ATOM 807 CG GLU A 51 24.279 7.248 5.867 1.00 46.84 C ATOM 808 CD GLU A 51 24.899 8.549 5.352 1.00 51.38 C ATOM 809 OE1 GLU A 51 24.147 9.428 4.965 1.00 53.83 O ATOM 810 OE2 GLU A 51 26.115 8.644 5.354 1.00 54.92 O ATOM 0 H GLU A 51 20.908 5.040 6.548 1.00 31.16 H new ATOM 0 HA GLU A 51 23.037 5.598 7.227 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.195 7.421 5.322 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.680 8.492 6.621 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.822 6.897 6.745 1.00 46.84 H new ATOM 0 HG3 GLU A 51 24.360 6.469 5.109 1.00 46.84 H new ATOM 817 N GLY A 52 23.206 8.038 8.870 1.00 34.53 N ATOM 818 CA GLY A 52 23.252 8.689 10.209 1.00 34.93 C ATOM 819 C GLY A 52 22.295 9.882 10.234 1.00 36.10 C ATOM 820 O GLY A 52 22.378 10.738 11.092 1.00 35.97 O ATOM 0 H GLY A 52 23.871 8.401 8.188 1.00 34.53 H new ATOM 0 HA2 GLY A 52 22.976 7.972 10.982 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.267 9.020 10.429 1.00 34.93 H new ATOM 824 N GLN A 53 21.386 9.948 9.299 1.00 36.52 N ATOM 825 CA GLN A 53 20.427 11.089 9.274 1.00 35.40 C ATOM 826 C GLN A 53 19.883 11.329 10.684 1.00 31.02 C ATOM 827 O GLN A 53 19.757 10.405 11.463 1.00 29.05 O ATOM 828 CB GLN A 53 19.263 10.763 8.335 1.00 41.20 C ATOM 829 CG GLN A 53 19.430 11.534 7.025 1.00 47.61 C ATOM 830 CD GLN A 53 19.073 10.626 5.847 1.00 53.32 C ATOM 831 OE1 GLN A 53 18.028 10.004 5.840 1.00 53.91 O ATOM 832 NE2 GLN A 53 19.901 10.521 4.844 1.00 54.76 N ATOM 0 H GLN A 53 21.266 9.263 8.553 1.00 36.52 H new ATOM 0 HA GLN A 53 20.941 11.983 8.921 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.231 9.692 8.137 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.317 11.028 8.807 1.00 41.20 H new ATOM 0 HG2 GLN A 53 18.789 12.415 7.026 1.00 47.61 H new ATOM 0 HG3 GLN A 53 20.457 11.887 6.927 1.00 47.61 H new ATOM 0 HE21 GLN A 53 20.778 11.043 4.850 1.00 54.76 H new ATOM 0 HE22 GLN A 53 19.672 9.917 4.054 1.00 54.76 H new ATOM 841 N PRO A 54 19.569 12.567 10.966 1.00 27.43 N ATOM 842 CA PRO A 54 19.025 12.968 12.271 1.00 23.44 C ATOM 843 C PRO A 54 17.540 12.608 12.352 1.00 20.14 C ATOM 844 O PRO A 54 16.724 13.158 11.639 1.00 21.64 O ATOM 845 CB PRO A 54 19.221 14.483 12.295 1.00 24.39 C ATOM 846 CG PRO A 54 19.333 14.927 10.822 1.00 27.18 C ATOM 847 CD PRO A 54 19.728 13.680 10.010 1.00 28.37 C ATOM 0 HA PRO A 54 19.509 12.472 13.112 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.383 14.976 12.787 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.119 14.750 12.851 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.386 15.335 10.468 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.080 15.713 10.711 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.087 13.552 9.138 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.753 13.749 9.645 1.00 28.37 H new ATOM 855 N ALA A 55 17.187 11.682 13.205 1.00 17.21 N ATOM 856 CA ALA A 55 15.759 11.278 13.326 1.00 15.58 C ATOM 857 C ALA A 55 14.851 12.505 13.223 1.00 16.41 C ATOM 858 O ALA A 55 15.244 13.611 13.535 1.00 13.65 O ATOM 859 CB ALA A 55 15.543 10.601 14.678 1.00 13.98 C ATOM 0 H ALA A 55 17.830 11.188 13.824 1.00 17.21 H new ATOM 0 HA ALA A 55 15.513 10.588 12.519 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.499 10.303 14.773 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.180 9.720 14.749 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.796 11.297 15.478 1.00 13.98 H new ATOM 865 N TYR A 56 13.638 12.313 12.785 1.00 15.93 N ATOM 866 CA TYR A 56 12.697 13.460 12.658 1.00 14.61 C ATOM 867 C TYR A 56 12.676 14.246 13.970 1.00 15.51 C ATOM 868 O TYR A 56 12.233 13.759 14.990 1.00 17.19 O ATOM 869 CB TYR A 56 11.293 12.935 12.342 1.00 12.92 C ATOM 870 CG TYR A 56 11.332 12.166 11.038 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.688 10.811 11.036 1.00 12.42 C ATOM 872 CD2 TYR A 56 11.026 12.809 9.834 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.736 10.102 9.831 1.00 11.47 C ATOM 874 CE2 TYR A 56 11.075 12.100 8.629 1.00 7.90 C ATOM 875 CZ TYR A 56 11.430 10.746 8.627 1.00 10.29 C ATOM 876 OH TYR A 56 11.478 10.047 7.438 1.00 12.03 O ATOM 0 H TYR A 56 13.257 11.408 12.509 1.00 15.93 H new ATOM 0 HA TYR A 56 13.024 14.116 11.851 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.943 12.290 13.148 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.589 13.764 12.268 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.925 10.314 11.965 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.752 13.854 9.835 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.009 9.057 9.830 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.839 12.598 7.700 1.00 7.90 H new ATOM 0 HH TYR A 56 11.236 10.643 6.698 1.00 12.03 H new ATOM 886 N ALA A 57 13.161 15.457 13.952 1.00 13.38 N ATOM 887 CA ALA A 57 13.176 16.275 15.197 1.00 14.95 C ATOM 888 C ALA A 57 11.739 16.498 15.679 1.00 15.46 C ATOM 889 O ALA A 57 10.800 16.075 15.035 1.00 17.82 O ATOM 890 CB ALA A 57 13.834 17.625 14.906 1.00 14.98 C ATOM 0 H ALA A 57 13.548 15.916 13.127 1.00 13.38 H new ATOM 0 HA ALA A 57 13.740 15.754 15.971 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.847 18.227 15.815 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.856 17.465 14.562 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.269 18.146 14.134 1.00 14.98 H new ATOM 896 N PRO A 58 11.613 17.159 16.802 1.00 15.20 N ATOM 897 CA PRO A 58 10.301 17.458 17.404 1.00 16.55 C ATOM 898 C PRO A 58 9.634 18.629 16.676 1.00 16.75 C ATOM 899 O PRO A 58 10.111 19.746 16.709 1.00 17.28 O ATOM 900 CB PRO A 58 10.646 17.834 18.848 1.00 15.65 C ATOM 901 CG PRO A 58 12.129 18.276 18.842 1.00 14.16 C ATOM 902 CD PRO A 58 12.764 17.671 17.576 1.00 13.96 C ATOM 0 HA PRO A 58 9.600 16.626 17.343 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.002 18.638 19.204 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.496 16.986 19.516 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.209 19.363 18.834 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.641 17.925 19.738 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.321 18.420 17.013 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.464 16.873 17.824 1.00 13.96 H new ATOM 910 N GLY A 59 8.535 18.381 16.017 1.00 17.22 N ATOM 911 CA GLY A 59 7.841 19.480 15.287 1.00 15.08 C ATOM 912 C GLY A 59 6.690 18.900 14.462 1.00 14.96 C ATOM 913 O GLY A 59 6.459 17.709 14.458 1.00 13.79 O ATOM 0 H GLY A 59 8.088 17.466 15.952 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.460 20.216 15.994 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.544 19.998 14.635 1.00 15.08 H new ATOM 917 N LEU A 60 5.971 19.733 13.758 1.00 15.83 N ATOM 918 CA LEU A 60 4.844 19.226 12.924 1.00 14.53 C ATOM 919 C LEU A 60 5.423 18.528 11.697 1.00 14.15 C ATOM 920 O LEU A 60 6.536 18.800 11.296 1.00 13.27 O ATOM 921 CB LEU A 60 3.972 20.399 12.472 1.00 15.84 C ATOM 922 CG LEU A 60 2.864 20.634 13.495 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.439 21.361 14.712 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.760 21.486 12.863 1.00 15.01 C ATOM 0 H LEU A 60 6.116 20.742 13.725 1.00 15.83 H new ATOM 0 HA LEU A 60 4.238 18.530 13.503 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.580 21.298 12.365 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.540 20.189 11.494 1.00 15.84 H new ATOM 0 HG LEU A 60 2.449 19.676 13.809 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.648 21.529 15.443 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.225 20.753 15.161 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.855 22.319 14.401 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.968 21.655 13.593 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.174 22.444 12.549 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.351 20.967 11.997 1.00 15.01 H new ATOM 936 N TYR A 61 4.697 17.626 11.096 1.00 11.12 N ATOM 937 CA TYR A 61 5.247 16.933 9.908 1.00 9.57 C ATOM 938 C TYR A 61 4.173 16.658 8.877 1.00 11.76 C ATOM 939 O TYR A 61 2.988 16.676 9.146 1.00 11.26 O ATOM 940 CB TYR A 61 5.876 15.611 10.323 1.00 9.42 C ATOM 941 CG TYR A 61 7.273 15.876 10.800 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.484 16.396 12.078 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.355 15.620 9.952 1.00 10.68 C ATOM 944 CE1 TYR A 61 8.782 16.661 12.514 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.654 15.883 10.387 1.00 13.03 C ATOM 946 CZ TYR A 61 9.866 16.403 11.667 1.00 11.06 C ATOM 947 OH TYR A 61 11.152 16.655 12.103 1.00 14.61 O ATOM 0 H TYR A 61 3.757 17.344 11.376 1.00 11.12 H new ATOM 0 HA TYR A 61 5.997 17.588 9.465 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.288 15.144 11.113 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.888 14.917 9.482 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.644 16.593 12.728 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.185 15.220 8.963 1.00 10.68 H new ATOM 0 HE1 TYR A 61 8.950 17.064 13.502 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.493 15.685 9.737 1.00 13.03 H new ATOM 0 HH TYR A 61 11.166 16.681 13.083 1.00 14.61 H new ATOM 957 N THR A 62 4.614 16.372 7.695 1.00 12.22 N ATOM 958 CA THR A 62 3.696 16.049 6.591 1.00 14.26 C ATOM 959 C THR A 62 4.404 15.016 5.743 1.00 15.40 C ATOM 960 O THR A 62 5.510 15.228 5.287 1.00 16.24 O ATOM 961 CB THR A 62 3.412 17.293 5.762 1.00 15.07 C ATOM 962 OG1 THR A 62 4.598 17.695 5.090 1.00 18.36 O ATOM 963 CG2 THR A 62 2.937 18.412 6.684 1.00 11.61 C ATOM 0 H THR A 62 5.602 16.349 7.444 1.00 12.22 H new ATOM 0 HA THR A 62 2.743 15.676 6.965 1.00 14.26 H new ATOM 0 HB THR A 62 2.639 17.076 5.025 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.415 18.495 4.555 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.732 19.306 6.095 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.028 18.099 7.197 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.711 18.631 7.419 1.00 11.61 H new ATOM 971 N VAL A 63 3.807 13.893 5.548 1.00 14.65 N ATOM 972 CA VAL A 63 4.495 12.859 4.751 1.00 15.17 C ATOM 973 C VAL A 63 4.894 13.458 3.410 1.00 14.24 C ATOM 974 O VAL A 63 4.485 14.546 3.056 1.00 19.13 O ATOM 975 CB VAL A 63 3.592 11.652 4.546 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.458 10.457 4.158 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.848 11.343 5.850 1.00 18.64 C ATOM 0 H VAL A 63 2.883 13.643 5.900 1.00 14.65 H new ATOM 0 HA VAL A 63 5.386 12.523 5.282 1.00 15.17 H new ATOM 0 HB VAL A 63 2.866 11.858 3.760 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.825 9.583 4.007 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.994 10.680 3.236 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.175 10.253 4.954 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.201 10.478 5.704 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.569 11.127 6.638 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.244 12.204 6.137 1.00 18.64 H new ATOM 987 N HIS A 64 5.696 12.764 2.668 1.00 13.31 N ATOM 988 CA HIS A 64 6.135 13.298 1.354 1.00 10.78 C ATOM 989 C HIS A 64 5.874 12.242 0.279 1.00 14.19 C ATOM 990 O HIS A 64 6.324 11.112 0.381 1.00 11.59 O ATOM 991 CB HIS A 64 7.627 13.633 1.419 1.00 11.86 C ATOM 992 CG HIS A 64 7.966 14.683 0.396 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.342 14.744 -0.839 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.888 15.701 0.401 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.897 15.756 -1.526 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.845 16.377 -0.816 1.00 20.65 N ATOM 0 H HIS A 64 6.070 11.847 2.912 1.00 13.31 H new ATOM 0 HA HIS A 64 5.581 14.204 1.109 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.885 13.989 2.416 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.218 12.735 1.239 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.546 15.941 1.223 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.612 16.034 -2.530 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.414 17.173 -1.104 1.00 20.65 H new ATOM 1004 N LEU A 65 5.139 12.604 -0.744 1.00 12.93 N ATOM 1005 CA LEU A 65 4.819 11.640 -1.834 1.00 14.44 C ATOM 1006 C LEU A 65 6.100 11.239 -2.568 1.00 12.66 C ATOM 1007 O LEU A 65 6.092 10.361 -3.408 1.00 10.20 O ATOM 1008 CB LEU A 65 3.782 12.300 -2.776 1.00 14.94 C ATOM 1009 CG LEU A 65 4.304 12.495 -4.211 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.380 11.773 -5.190 1.00 15.75 C ATOM 1011 CD2 LEU A 65 4.324 13.992 -4.537 1.00 19.03 C ATOM 0 H LEU A 65 4.745 13.536 -0.868 1.00 12.93 H new ATOM 0 HA LEU A 65 4.387 10.724 -1.431 1.00 14.44 H new ATOM 0 HB2 LEU A 65 2.883 11.685 -2.804 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.493 13.268 -2.367 1.00 14.94 H new ATOM 0 HG LEU A 65 5.311 12.086 -4.296 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.748 11.910 -6.207 1.00 15.75 H new ATOM 0 HD12 LEU A 65 3.358 10.709 -4.953 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.373 12.183 -5.110 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.693 14.138 -5.552 1.00 19.03 H new ATOM 0 HD22 LEU A 65 3.315 14.396 -4.456 1.00 19.03 H new ATOM 0 HD23 LEU A 65 4.979 14.508 -3.835 1.00 19.03 H new ATOM 1023 N SER A 66 7.204 11.860 -2.258 1.00 13.51 N ATOM 1024 CA SER A 66 8.471 11.494 -2.937 1.00 10.39 C ATOM 1025 C SER A 66 8.689 9.987 -2.788 1.00 8.56 C ATOM 1026 O SER A 66 9.496 9.392 -3.475 1.00 11.70 O ATOM 1027 CB SER A 66 9.633 12.242 -2.284 1.00 12.88 C ATOM 1028 OG SER A 66 10.043 11.545 -1.115 1.00 14.72 O ATOM 0 H SER A 66 7.280 12.604 -1.564 1.00 13.51 H new ATOM 0 HA SER A 66 8.419 11.761 -3.992 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.466 12.325 -2.983 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.329 13.257 -2.028 1.00 12.88 H new ATOM 0 HG SER A 66 10.789 12.021 -0.695 1.00 14.72 H new ATOM 1034 N SER A 67 7.982 9.369 -1.876 1.00 7.98 N ATOM 1035 CA SER A 67 8.152 7.906 -1.658 1.00 8.20 C ATOM 1036 C SER A 67 7.044 7.111 -2.363 1.00 11.02 C ATOM 1037 O SER A 67 7.056 5.896 -2.362 1.00 11.45 O ATOM 1038 CB SER A 67 8.097 7.611 -0.161 1.00 8.01 C ATOM 1039 OG SER A 67 9.125 8.337 0.499 1.00 11.22 O ATOM 0 H SER A 67 7.293 9.819 -1.273 1.00 7.98 H new ATOM 0 HA SER A 67 9.115 7.606 -2.072 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.123 7.891 0.241 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.220 6.542 0.015 1.00 8.01 H new ATOM 0 HG SER A 67 9.468 7.809 1.250 1.00 11.22 H new ATOM 1045 N PHE A 68 6.080 7.768 -2.951 1.00 10.09 N ATOM 1046 CA PHE A 68 4.982 7.012 -3.626 1.00 11.79 C ATOM 1047 C PHE A 68 5.434 6.574 -5.018 1.00 12.69 C ATOM 1048 O PHE A 68 6.334 7.144 -5.601 1.00 14.25 O ATOM 1049 CB PHE A 68 3.738 7.898 -3.749 1.00 10.08 C ATOM 1050 CG PHE A 68 3.396 8.504 -2.406 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.065 8.095 -1.241 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.416 9.500 -2.333 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.752 8.685 -0.013 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.107 10.090 -1.103 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.776 9.682 0.055 1.00 11.87 C ATOM 0 H PHE A 68 6.004 8.784 -2.994 1.00 10.09 H new ATOM 0 HA PHE A 68 4.740 6.132 -3.030 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.916 8.688 -4.479 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.897 7.309 -4.115 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.821 7.325 -1.294 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.898 9.814 -3.227 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.265 8.370 0.884 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.352 10.860 -1.048 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.538 10.139 1.004 1.00 11.87 H new ATOM 1065 N LYS A 69 4.810 5.561 -5.555 1.00 12.51 N ATOM 1066 CA LYS A 69 5.197 5.079 -6.910 1.00 15.38 C ATOM 1067 C LYS A 69 3.948 4.640 -7.675 1.00 15.02 C ATOM 1068 O LYS A 69 2.866 4.563 -7.128 1.00 15.36 O ATOM 1069 CB LYS A 69 6.153 3.892 -6.781 1.00 16.04 C ATOM 1070 CG LYS A 69 5.669 2.960 -5.667 1.00 20.35 C ATOM 1071 CD LYS A 69 6.031 1.516 -6.018 1.00 21.35 C ATOM 1072 CE LYS A 69 5.045 0.562 -5.342 1.00 30.24 C ATOM 1073 NZ LYS A 69 5.408 -0.845 -5.673 1.00 32.70 N ATOM 0 H LYS A 69 4.048 5.046 -5.113 1.00 12.51 H new ATOM 0 HA LYS A 69 5.691 5.887 -7.450 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.205 3.350 -7.725 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.160 4.246 -6.561 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.127 3.241 -4.719 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.591 3.056 -5.541 1.00 20.35 H new ATOM 0 HD2 LYS A 69 6.005 1.376 -7.099 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.048 1.296 -5.692 1.00 21.35 H new ATOM 0 HE2 LYS A 69 5.063 0.709 -4.262 1.00 30.24 H new ATOM 0 HE3 LYS A 69 4.030 0.775 -5.676 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 4.738 -1.494 -5.213 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 5.370 -0.980 -6.703 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 6.371 -1.044 -5.333 1.00 32.70 H new ATOM 1087 N VAL A 70 4.093 4.346 -8.938 1.00 13.65 N ATOM 1088 CA VAL A 70 2.918 3.904 -9.743 1.00 13.49 C ATOM 1089 C VAL A 70 3.244 2.567 -10.409 1.00 11.85 C ATOM 1090 O VAL A 70 4.092 2.484 -11.276 1.00 12.13 O ATOM 1091 CB VAL A 70 2.593 4.941 -10.821 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.077 5.025 -11.009 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.134 6.315 -10.409 1.00 15.63 C ATOM 0 H VAL A 70 4.975 4.393 -9.448 1.00 13.65 H new ATOM 0 HA VAL A 70 2.055 3.795 -9.086 1.00 13.49 H new ATOM 0 HB VAL A 70 3.062 4.639 -11.758 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.846 5.764 -11.777 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.694 4.052 -11.315 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.610 5.320 -10.069 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.898 7.046 -11.182 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.674 6.620 -9.469 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.215 6.257 -10.282 1.00 15.63 H new ATOM 1103 N GLY A 71 2.580 1.518 -10.009 1.00 11.15 N ATOM 1104 CA GLY A 71 2.855 0.184 -10.616 1.00 11.07 C ATOM 1105 C GLY A 71 2.307 0.148 -12.044 1.00 12.15 C ATOM 1106 O GLY A 71 1.850 1.145 -12.567 1.00 12.70 O ATOM 0 H GLY A 71 1.859 1.526 -9.288 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.928 -0.010 -10.622 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.392 -0.601 -10.018 1.00 11.07 H new ATOM 1110 N GLN A 72 2.349 -0.992 -12.681 1.00 15.78 N ATOM 1111 CA GLN A 72 1.831 -1.085 -14.071 1.00 19.42 C ATOM 1112 C GLN A 72 0.343 -1.435 -14.039 1.00 16.97 C ATOM 1113 O GLN A 72 -0.160 -2.138 -14.892 1.00 20.46 O ATOM 1114 CB GLN A 72 2.599 -2.169 -14.832 1.00 22.64 C ATOM 1115 CG GLN A 72 3.965 -1.625 -15.261 1.00 25.29 C ATOM 1116 CD GLN A 72 4.624 -0.902 -14.084 1.00 26.29 C ATOM 1117 OE1 GLN A 72 5.451 -1.466 -13.396 1.00 26.22 O ATOM 1118 NE2 GLN A 72 4.289 0.332 -13.823 1.00 25.15 N ATOM 0 H GLN A 72 2.720 -1.861 -12.296 1.00 15.78 H new ATOM 0 HA GLN A 72 1.966 -0.127 -14.574 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.728 -3.048 -14.201 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.031 -2.485 -15.707 1.00 22.64 H new ATOM 0 HG2 GLN A 72 4.602 -2.441 -15.602 1.00 25.29 H new ATOM 0 HG3 GLN A 72 3.847 -0.941 -16.101 1.00 25.29 H new ATOM 0 HE21 GLN A 72 3.594 0.805 -14.401 1.00 25.15 H new ATOM 0 HE22 GLN A 72 4.722 0.823 -13.041 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.363 -0.946 -13.059 1.00 14.56 N ATOM 1128 CA PHE A 73 -1.820 -1.243 -12.966 1.00 14.60 C ATOM 1129 C PHE A 73 -2.586 0.050 -12.672 1.00 15.63 C ATOM 1130 O PHE A 73 -3.672 0.029 -12.127 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.067 -2.248 -11.838 1.00 12.63 C ATOM 1132 CG PHE A 73 -1.100 -3.401 -11.965 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -1.438 -4.516 -12.742 1.00 16.27 C ATOM 1134 CD2 PHE A 73 0.134 -3.356 -11.306 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -0.543 -5.585 -12.858 1.00 20.44 C ATOM 1136 CE2 PHE A 73 1.030 -4.426 -11.423 1.00 18.68 C ATOM 1137 CZ PHE A 73 0.691 -5.540 -12.199 1.00 17.88 C ATOM 0 H PHE A 73 0.006 -0.352 -12.317 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.165 -1.665 -13.910 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.943 -1.761 -10.870 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.093 -2.614 -11.882 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -2.390 -4.551 -13.252 1.00 16.27 H new ATOM 0 HD2 PHE A 73 0.395 -2.496 -10.707 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -0.804 -6.445 -13.456 1.00 20.44 H new ATOM 0 HE2 PHE A 73 1.982 -4.391 -10.915 1.00 18.68 H new ATOM 0 HZ PHE A 73 1.382 -6.365 -12.289 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.030 1.176 -13.029 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.728 2.468 -12.771 1.00 13.44 C ATOM 1149 C GLY A 74 -3.150 2.540 -11.302 1.00 10.42 C ATOM 1150 O GLY A 74 -4.310 2.716 -10.989 1.00 13.62 O ATOM 0 H GLY A 74 -1.123 1.257 -13.488 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.070 3.303 -13.012 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.603 2.555 -13.416 1.00 13.44 H new ATOM 1154 N SER A 75 -2.220 2.405 -10.397 1.00 12.64 N ATOM 1155 CA SER A 75 -2.577 2.466 -8.951 1.00 12.47 C ATOM 1156 C SER A 75 -1.409 3.053 -8.154 1.00 12.47 C ATOM 1157 O SER A 75 -0.412 2.398 -7.923 1.00 11.32 O ATOM 1158 CB SER A 75 -2.882 1.057 -8.442 1.00 11.21 C ATOM 1159 OG SER A 75 -3.648 0.361 -9.417 1.00 18.27 O ATOM 0 H SER A 75 -1.231 2.255 -10.595 1.00 12.64 H new ATOM 0 HA SER A 75 -3.455 3.099 -8.824 1.00 12.47 H new ATOM 0 HB2 SER A 75 -1.954 0.521 -8.242 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.430 1.108 -7.501 1.00 11.21 H new ATOM 0 HG SER A 75 -3.844 -0.543 -9.094 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.526 4.281 -7.729 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.424 4.906 -6.943 1.00 12.18 C ATOM 1167 C LEU A 76 -0.356 4.253 -5.561 1.00 12.07 C ATOM 1168 O LEU A 76 -1.360 3.859 -5.002 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.693 6.404 -6.788 1.00 11.99 C ATOM 1170 CG LEU A 76 0.292 7.000 -5.782 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.496 8.486 -6.087 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.270 6.841 -4.366 1.00 7.80 C ATOM 0 H LEU A 76 -2.336 4.879 -7.892 1.00 12.43 H new ATOM 0 HA LEU A 76 0.523 4.761 -7.462 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -0.592 6.904 -7.751 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.717 6.567 -6.451 1.00 11.99 H new ATOM 0 HG LEU A 76 1.248 6.481 -5.855 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.198 8.912 -5.370 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.894 8.599 -7.095 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.459 9.007 -6.013 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.431 7.265 -3.647 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.225 7.362 -4.293 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.416 5.783 -4.149 1.00 7.80 H new ATOM 1184 N MET A 77 0.819 4.132 -5.005 1.00 14.08 N ATOM 1185 CA MET A 77 0.944 3.500 -3.660 1.00 14.12 C ATOM 1186 C MET A 77 2.242 3.962 -2.995 1.00 11.37 C ATOM 1187 O MET A 77 3.250 4.155 -3.646 1.00 11.44 O ATOM 1188 CB MET A 77 0.970 1.975 -3.805 1.00 16.48 C ATOM 1189 CG MET A 77 0.109 1.553 -4.997 1.00 24.75 C ATOM 1190 SD MET A 77 0.266 -0.232 -5.254 1.00 35.11 S ATOM 1191 CE MET A 77 1.313 -0.159 -6.728 1.00 33.86 C ATOM 0 H MET A 77 1.696 4.443 -5.423 1.00 14.08 H new ATOM 0 HA MET A 77 0.092 3.794 -3.047 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.995 1.631 -3.945 1.00 16.48 H new ATOM 0 HB3 MET A 77 0.599 1.507 -2.893 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.934 1.815 -4.817 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.422 2.089 -5.893 1.00 24.75 H new ATOM 0 HE1 MET A 77 1.930 -1.056 -6.781 1.00 33.86 H new ATOM 0 HE2 MET A 77 0.686 -0.097 -7.617 1.00 33.86 H new ATOM 0 HE3 MET A 77 1.955 0.720 -6.675 1.00 33.86 H new ATOM 1201 N ILE A 78 2.227 4.138 -1.703 1.00 11.78 N ATOM 1202 CA ILE A 78 3.463 4.583 -0.998 1.00 11.62 C ATOM 1203 C ILE A 78 4.496 3.454 -1.010 1.00 11.45 C ATOM 1204 O ILE A 78 4.169 2.295 -0.842 1.00 12.59 O ATOM 1205 CB ILE A 78 3.146 4.925 0.457 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.294 6.195 0.526 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.454 5.143 1.225 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.934 5.865 1.149 1.00 13.67 C ATOM 0 H ILE A 78 1.414 3.993 -1.105 1.00 11.78 H new ATOM 0 HA ILE A 78 3.854 5.463 -1.509 1.00 11.62 H new ATOM 0 HB ILE A 78 2.590 4.101 0.904 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.803 6.955 1.119 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.157 6.609 -0.473 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.230 5.387 2.263 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.054 4.234 1.187 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.010 5.963 0.771 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.327 6.769 1.198 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.425 5.119 0.538 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.080 5.471 2.155 1.00 13.67 H new ATOM 1220 N ASP A 79 5.741 3.790 -1.174 1.00 10.05 N ATOM 1221 CA ASP A 79 6.811 2.751 -1.160 1.00 14.79 C ATOM 1222 C ASP A 79 7.584 2.895 0.147 1.00 15.20 C ATOM 1223 O ASP A 79 7.984 1.931 0.769 1.00 18.10 O ATOM 1224 CB ASP A 79 7.753 2.960 -2.347 1.00 12.21 C ATOM 1225 CG ASP A 79 8.135 1.603 -2.940 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.264 0.755 -3.037 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.293 1.434 -3.286 1.00 21.87 O ATOM 0 H ASP A 79 6.069 4.745 -1.318 1.00 10.05 H new ATOM 0 HA ASP A 79 6.376 1.755 -1.237 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.269 3.577 -3.105 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.648 3.493 -2.025 1.00 12.21 H new ATOM 1232 N ARG A 80 7.766 4.111 0.569 1.00 17.08 N ATOM 1233 CA ARG A 80 8.477 4.390 1.843 1.00 17.14 C ATOM 1234 C ARG A 80 8.249 5.858 2.180 1.00 14.98 C ATOM 1235 O ARG A 80 9.147 6.675 2.132 1.00 16.47 O ATOM 1236 CB ARG A 80 9.973 4.107 1.690 1.00 17.78 C ATOM 1237 CG ARG A 80 10.695 4.449 2.995 1.00 22.76 C ATOM 1238 CD ARG A 80 11.478 3.228 3.482 1.00 28.43 C ATOM 1239 NE ARG A 80 12.938 3.523 3.436 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.783 2.754 4.070 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.353 1.721 4.744 1.00 33.12 N ATOM 1242 NH2 ARG A 80 15.061 3.018 4.029 1.00 35.04 N ATOM 0 H ARG A 80 7.444 4.942 0.073 1.00 17.08 H new ATOM 0 HA ARG A 80 8.099 3.750 2.640 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.131 3.058 1.439 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.383 4.697 0.870 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.372 5.289 2.839 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.974 4.757 3.752 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.180 2.973 4.499 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.251 2.364 2.857 1.00 28.43 H new ATOM 0 HE ARG A 80 13.278 4.327 2.908 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.355 1.513 4.776 1.00 33.12 H new ATOM 0 HH12 ARG A 80 14.015 1.123 5.238 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.399 3.824 3.503 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.722 2.419 4.523 1.00 35.04 H new ATOM 1256 N LEU A 81 7.025 6.177 2.488 1.00 11.03 N ATOM 1257 CA LEU A 81 6.622 7.574 2.810 1.00 11.27 C ATOM 1258 C LEU A 81 7.794 8.383 3.386 1.00 15.61 C ATOM 1259 O LEU A 81 8.333 8.068 4.428 1.00 18.56 O ATOM 1260 CB LEU A 81 5.442 7.512 3.790 1.00 13.62 C ATOM 1261 CG LEU A 81 5.919 7.674 5.231 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.702 7.765 6.154 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.763 6.454 5.618 1.00 18.72 C ATOM 0 H LEU A 81 6.260 5.503 2.531 1.00 11.03 H new ATOM 0 HA LEU A 81 6.319 8.090 1.899 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.724 8.296 3.550 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.923 6.560 3.680 1.00 13.62 H new ATOM 0 HG LEU A 81 6.518 8.580 5.326 1.00 12.84 H new ATOM 0 HD11 LEU A 81 5.035 7.881 7.185 1.00 11.44 H new ATOM 0 HD12 LEU A 81 4.094 8.624 5.871 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.109 6.855 6.065 1.00 11.44 H new ATOM 0 HD21 LEU A 81 7.108 6.562 6.646 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.159 5.551 5.531 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.623 6.381 4.953 1.00 18.72 H new ATOM 1275 N ARG A 82 8.182 9.437 2.715 1.00 13.37 N ATOM 1276 CA ARG A 82 9.302 10.275 3.231 1.00 12.72 C ATOM 1277 C ARG A 82 8.704 11.390 4.087 1.00 13.33 C ATOM 1278 O ARG A 82 8.121 12.327 3.585 1.00 13.27 O ATOM 1279 CB ARG A 82 10.084 10.876 2.060 1.00 13.85 C ATOM 1280 CG ARG A 82 11.068 11.924 2.587 1.00 16.22 C ATOM 1281 CD ARG A 82 12.206 11.227 3.335 1.00 16.62 C ATOM 1282 NE ARG A 82 13.377 12.144 3.423 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.348 11.889 4.259 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.297 10.832 5.024 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.373 12.695 4.332 1.00 16.89 N ATOM 0 H ARG A 82 7.772 9.752 1.835 1.00 13.37 H new ATOM 0 HA ARG A 82 9.985 9.669 3.826 1.00 12.72 H new ATOM 0 HB2 ARG A 82 10.622 10.092 1.528 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.398 11.332 1.347 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.468 12.511 1.760 1.00 16.22 H new ATOM 0 HG3 ARG A 82 10.554 12.619 3.251 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.878 10.942 4.335 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.487 10.309 2.818 1.00 16.62 H new ATOM 0 HE ARG A 82 13.421 12.972 2.829 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.497 10.202 4.970 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.057 10.637 5.675 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.415 13.522 3.737 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.132 12.497 4.984 1.00 16.89 H new ATOM 1299 N LEU A 83 8.810 11.275 5.379 1.00 13.53 N ATOM 1300 CA LEU A 83 8.211 12.309 6.271 1.00 13.86 C ATOM 1301 C LEU A 83 9.008 13.613 6.235 1.00 13.02 C ATOM 1302 O LEU A 83 10.204 13.632 6.022 1.00 14.40 O ATOM 1303 CB LEU A 83 8.174 11.793 7.709 1.00 9.93 C ATOM 1304 CG LEU A 83 6.737 11.822 8.228 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.735 11.524 9.728 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.142 13.209 7.981 1.00 10.58 C ATOM 0 H LEU A 83 9.285 10.510 5.858 1.00 13.53 H new ATOM 0 HA LEU A 83 7.201 12.509 5.912 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.566 10.777 7.751 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.813 12.408 8.343 1.00 9.93 H new ATOM 0 HG LEU A 83 6.141 11.071 7.709 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.711 11.544 10.102 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.166 10.538 9.904 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.326 12.277 10.249 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.116 13.236 8.349 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.736 13.958 8.505 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.149 13.423 6.912 1.00 10.58 H new ATOM 1318 N VAL A 84 8.331 14.706 6.454 1.00 11.81 N ATOM 1319 CA VAL A 84 8.987 16.032 6.460 1.00 12.86 C ATOM 1320 C VAL A 84 8.177 16.950 7.384 1.00 14.98 C ATOM 1321 O VAL A 84 6.997 16.737 7.569 1.00 13.59 O ATOM 1322 CB VAL A 84 8.979 16.586 5.037 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.770 15.651 4.121 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.535 16.690 4.538 1.00 17.34 C ATOM 0 H VAL A 84 7.327 14.730 6.633 1.00 11.81 H new ATOM 0 HA VAL A 84 10.016 15.964 6.812 1.00 12.86 H new ATOM 0 HB VAL A 84 9.438 17.575 5.029 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.764 16.046 3.105 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.798 15.578 4.476 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.312 14.662 4.128 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.529 17.085 3.522 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.075 15.702 4.546 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.972 17.357 5.191 1.00 17.34 H new ATOM 1334 N PRO A 85 8.819 17.947 7.931 1.00 18.65 N ATOM 1335 CA PRO A 85 8.157 18.909 8.830 1.00 22.41 C ATOM 1336 C PRO A 85 7.057 19.681 8.086 1.00 25.70 C ATOM 1337 O PRO A 85 7.165 19.953 6.907 1.00 22.08 O ATOM 1338 CB PRO A 85 9.296 19.811 9.308 1.00 21.19 C ATOM 1339 CG PRO A 85 10.426 19.636 8.281 1.00 18.95 C ATOM 1340 CD PRO A 85 10.243 18.224 7.698 1.00 20.63 C ATOM 0 HA PRO A 85 7.645 18.438 9.669 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.975 20.851 9.363 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.627 19.527 10.307 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.366 20.393 7.499 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.403 19.742 8.752 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.491 18.191 6.637 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.882 17.496 8.198 1.00 20.63 H new ATOM 1348 N ALA A 86 5.989 20.018 8.766 1.00 31.74 N ATOM 1349 CA ALA A 86 4.870 20.750 8.102 1.00 39.94 C ATOM 1350 C ALA A 86 5.269 22.213 7.892 1.00 46.96 C ATOM 1351 O ALA A 86 5.585 22.920 8.828 1.00 49.29 O ATOM 1352 CB ALA A 86 3.624 20.682 8.990 1.00 39.70 C ATOM 0 H ALA A 86 5.845 19.816 9.755 1.00 31.74 H new ATOM 0 HA ALA A 86 4.656 20.292 7.136 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.804 21.216 8.508 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.340 19.640 9.140 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.839 21.142 9.955 1.00 39.70 H new ATOM 1358 N LYS A 87 5.257 22.671 6.670 1.00 51.78 N ATOM 1359 CA LYS A 87 5.635 24.088 6.402 1.00 55.12 C ATOM 1360 C LYS A 87 7.103 24.303 6.775 1.00 55.82 C ATOM 1361 O LYS A 87 7.723 23.355 7.230 1.00 58.05 O ATOM 1362 CB LYS A 87 4.755 25.019 7.238 1.00 52.96 C ATOM 1363 CG LYS A 87 4.813 26.435 6.661 1.00 55.49 C ATOM 1364 CD LYS A 87 4.162 26.451 5.276 1.00 56.64 C ATOM 1365 CE LYS A 87 3.731 27.877 4.930 1.00 58.91 C ATOM 1366 NZ LYS A 87 3.527 27.992 3.458 1.00 58.16 N ATOM 1367 OXT LYS A 87 7.582 25.411 6.600 1.00 57.66 O ATOM 0 H LYS A 87 5.002 22.126 5.846 1.00 51.78 H new ATOM 0 HA LYS A 87 5.492 24.308 5.344 1.00 55.12 H new ATOM 0 HB2 LYS A 87 3.726 24.658 7.241 1.00 52.96 H new ATOM 0 HB3 LYS A 87 5.094 25.023 8.274 1.00 52.96 H new ATOM 0 HG2 LYS A 87 4.298 27.130 7.324 1.00 55.49 H new ATOM 0 HG3 LYS A 87 5.848 26.768 6.591 1.00 55.49 H new ATOM 0 HD2 LYS A 87 4.864 26.081 4.529 1.00 56.64 H new ATOM 0 HD3 LYS A 87 3.299 25.785 5.261 1.00 56.64 H new ATOM 0 HE2 LYS A 87 2.810 28.127 5.456 1.00 58.91 H new ATOM 0 HE3 LYS A 87 4.489 28.587 5.259 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 3.234 28.962 3.223 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 4.416 27.770 2.966 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 2.789 27.325 3.157 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 2.187 16.979 -3.168 1.00 42.32 N ATOM 1383 CA MET B 1 0.720 16.722 -3.107 1.00 40.89 C ATOM 1384 C MET B 1 0.347 15.658 -4.141 1.00 34.75 C ATOM 1385 O MET B 1 -0.801 15.520 -4.514 1.00 33.97 O ATOM 1386 CB MET B 1 -0.041 18.024 -3.408 1.00 48.45 C ATOM 1387 CG MET B 1 -0.106 18.264 -4.924 1.00 56.13 C ATOM 1388 SD MET B 1 0.372 19.972 -5.285 1.00 64.91 S ATOM 1389 CE MET B 1 1.971 19.605 -6.050 1.00 63.43 C ATOM 0 H1 MET B 1 2.427 17.772 -2.539 1.00 42.32 H new ATOM 0 H2 MET B 1 2.701 16.128 -2.864 1.00 42.32 H new ATOM 0 H3 MET B 1 2.458 17.217 -4.144 1.00 42.32 H new ATOM 0 HA MET B 1 0.452 16.369 -2.111 1.00 40.89 H new ATOM 0 HB2 MET B 1 -1.049 17.967 -2.998 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.454 18.864 -2.921 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.558 17.572 -5.441 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.114 18.072 -5.291 1.00 56.13 H new ATOM 0 HE1 MET B 1 2.113 20.245 -6.921 1.00 63.43 H new ATOM 0 HE2 MET B 1 2.769 19.788 -5.331 1.00 63.43 H new ATOM 0 HE3 MET B 1 1.995 18.560 -6.360 1.00 63.43 H new ATOM 1401 N ILE B 2 1.305 14.915 -4.621 1.00 28.59 N ATOM 1402 CA ILE B 2 0.985 13.883 -5.642 1.00 24.58 C ATOM 1403 C ILE B 2 0.218 14.570 -6.771 1.00 19.29 C ATOM 1404 O ILE B 2 -0.996 14.546 -6.818 1.00 19.53 O ATOM 1405 CB ILE B 2 0.117 12.785 -5.026 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.554 12.512 -3.585 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.269 11.501 -5.841 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.686 12.298 -2.727 1.00 33.80 C ATOM 0 H ILE B 2 2.287 14.978 -4.352 1.00 28.59 H new ATOM 0 HA ILE B 2 1.901 13.427 -6.018 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.923 13.113 -5.032 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.196 11.632 -3.546 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.137 13.350 -3.203 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.349 10.717 -5.403 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.048 11.682 -6.868 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.313 11.187 -5.834 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.387 12.102 -1.697 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.310 13.191 -2.760 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.250 11.447 -3.109 1.00 33.80 H new ATOM 1420 N LYS B 3 0.918 15.211 -7.661 1.00 18.14 N ATOM 1421 CA LYS B 3 0.236 15.937 -8.769 1.00 16.66 C ATOM 1422 C LYS B 3 -0.259 14.962 -9.833 1.00 14.94 C ATOM 1423 O LYS B 3 0.233 13.859 -9.968 1.00 13.94 O ATOM 1424 CB LYS B 3 1.211 16.932 -9.402 1.00 16.94 C ATOM 1425 CG LYS B 3 0.907 18.341 -8.888 1.00 17.85 C ATOM 1426 CD LYS B 3 0.303 19.179 -10.017 1.00 19.63 C ATOM 1427 CE LYS B 3 -0.043 20.572 -9.489 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.808 21.588 -10.171 1.00 32.72 N ATOM 0 H LYS B 3 1.937 15.265 -7.670 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.623 16.468 -8.359 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.237 16.658 -9.158 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.123 16.903 -10.488 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.214 18.291 -8.048 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.820 18.810 -8.521 1.00 17.85 H new ATOM 0 HD2 LYS B 3 1.009 19.257 -10.844 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -0.592 18.693 -10.406 1.00 19.63 H new ATOM 0 HE2 LYS B 3 -1.097 20.788 -9.665 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.115 20.614 -8.411 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.573 22.535 -9.812 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.810 21.385 -9.982 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.636 21.554 -11.196 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.237 15.375 -10.592 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.788 14.499 -11.659 1.00 12.99 C ATOM 1444 C VAL B 4 -2.618 15.352 -12.627 1.00 14.26 C ATOM 1445 O VAL B 4 -2.991 16.467 -12.328 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.649 13.376 -11.022 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.151 13.810 -9.644 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.855 13.030 -11.913 1.00 10.41 C ATOM 0 H VAL B 4 -1.680 16.290 -10.516 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.977 14.028 -12.215 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.020 12.492 -10.922 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.754 13.013 -9.209 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.300 14.017 -8.995 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.758 14.710 -9.745 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.441 12.240 -11.442 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.478 13.915 -12.043 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.502 12.689 -12.886 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.898 14.829 -13.787 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.696 15.589 -14.792 1.00 10.51 C ATOM 1460 C GLU B 5 -4.681 14.642 -15.462 1.00 10.00 C ATOM 1461 O GLU B 5 -4.302 13.729 -16.168 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.759 16.178 -15.847 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.205 17.507 -15.339 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.279 18.114 -16.394 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.531 17.900 -17.569 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -0.333 18.782 -16.010 1.00 22.12 O ATOM 0 H GLU B 5 -2.606 13.899 -14.086 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.237 16.396 -14.299 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.943 15.485 -16.054 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.295 16.328 -16.784 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.023 18.194 -15.120 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.660 17.353 -14.408 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.945 14.850 -15.249 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.947 13.952 -15.889 1.00 10.60 C ATOM 1475 C ILE B 6 -7.031 14.303 -17.383 1.00 10.16 C ATOM 1476 O ILE B 6 -7.640 15.281 -17.768 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.316 14.102 -15.184 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.458 12.986 -14.148 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.466 13.983 -16.183 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.223 13.543 -12.743 1.00 13.81 C ATOM 0 H ILE B 6 -6.329 15.594 -14.666 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.647 12.909 -15.791 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.359 15.085 -14.715 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.452 12.544 -14.211 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.742 12.191 -14.357 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.416 14.092 -15.659 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.375 14.765 -16.937 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.429 13.007 -16.666 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.326 12.741 -12.012 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.219 13.963 -12.681 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.956 14.322 -12.533 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.413 13.510 -18.225 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.444 13.791 -19.686 1.00 11.59 C ATOM 1494 C LYS B 7 -7.881 14.086 -20.119 1.00 12.98 C ATOM 1495 O LYS B 7 -8.806 13.902 -19.353 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.922 12.560 -20.431 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.468 12.778 -20.872 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.662 13.468 -19.766 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.159 14.818 -20.272 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.023 15.909 -19.738 1.00 25.43 N ATOM 0 H LYS B 7 -5.887 12.678 -17.957 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.820 14.655 -19.915 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.986 11.683 -19.787 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.547 12.362 -21.302 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.010 11.820 -21.118 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.445 13.384 -21.778 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.283 13.607 -18.881 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.821 12.842 -19.469 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.126 14.973 -19.959 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.168 14.835 -21.362 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.428 16.708 -19.439 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.680 16.226 -20.479 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.564 15.556 -18.923 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.026 14.528 -21.342 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.344 14.849 -21.912 1.00 11.93 C ATOM 1516 C PRO B 8 -10.078 13.559 -22.268 1.00 10.20 C ATOM 1517 O PRO B 8 -11.288 13.520 -22.366 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.009 15.669 -23.161 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.554 15.305 -23.542 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.895 14.742 -22.269 1.00 13.61 C ATOM 0 HA PRO B 8 -9.997 15.393 -21.230 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.694 15.435 -23.975 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.103 16.737 -22.962 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.536 14.569 -24.346 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.016 16.182 -23.901 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.365 13.812 -22.473 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.167 15.440 -21.855 1.00 13.61 H new ATOM 1528 N SER B 9 -9.345 12.500 -22.448 1.00 10.65 N ATOM 1529 CA SER B 9 -9.979 11.196 -22.782 1.00 10.83 C ATOM 1530 C SER B 9 -10.133 10.368 -21.503 1.00 10.94 C ATOM 1531 O SER B 9 -10.539 9.223 -21.539 1.00 13.16 O ATOM 1532 CB SER B 9 -9.096 10.440 -23.777 1.00 13.01 C ATOM 1533 OG SER B 9 -9.840 10.175 -24.959 1.00 15.52 O ATOM 0 H SER B 9 -8.328 12.480 -22.378 1.00 10.65 H new ATOM 0 HA SER B 9 -10.959 11.368 -23.227 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.210 11.029 -24.015 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.748 9.506 -23.335 1.00 13.01 H new ATOM 0 HG SER B 9 -9.276 9.692 -25.599 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.811 10.937 -20.371 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.937 10.182 -19.094 1.00 11.55 C ATOM 1541 C GLN B 10 -10.829 10.959 -18.123 1.00 13.72 C ATOM 1542 O GLN B 10 -10.595 10.971 -16.932 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.556 10.003 -18.473 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.542 9.744 -19.582 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.772 8.353 -20.173 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.575 7.592 -19.672 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.096 7.985 -21.227 1.00 4.80 N ATOM 0 H GLN B 10 -9.466 11.892 -20.278 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.380 9.206 -19.294 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.278 10.894 -17.910 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.565 9.171 -17.769 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.638 10.501 -20.360 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.529 9.819 -19.187 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.421 8.623 -21.649 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.242 7.059 -21.629 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.839 11.619 -18.620 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.728 12.404 -17.715 1.00 18.95 C ATOM 1558 C ALA B 11 -14.061 11.675 -17.514 1.00 20.75 C ATOM 1559 O ALA B 11 -15.027 12.250 -17.055 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.990 13.780 -18.329 1.00 17.72 C ATOM 0 H ALA B 11 -12.087 11.649 -19.609 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.237 12.517 -16.748 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.640 14.355 -17.669 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.045 14.307 -18.457 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.473 13.660 -19.299 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.124 10.418 -17.853 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.397 9.664 -17.677 1.00 25.43 C ATOM 1568 C GLN B 12 -15.115 8.312 -17.025 1.00 22.80 C ATOM 1569 O GLN B 12 -14.186 7.619 -17.391 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.044 9.441 -19.041 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.989 10.599 -19.336 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.682 10.366 -20.680 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.032 10.229 -21.697 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -18.986 10.317 -20.728 1.00 47.90 N ATOM 0 H GLN B 12 -13.350 9.880 -18.244 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.069 10.238 -17.038 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.279 9.373 -19.814 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.590 8.498 -19.049 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.732 10.687 -18.543 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.435 11.537 -19.359 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.532 10.432 -19.874 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.458 10.164 -21.619 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.909 7.925 -16.063 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.678 6.616 -15.401 1.00 20.51 C ATOM 1585 C PHE B 13 -16.507 5.538 -16.098 1.00 18.83 C ATOM 1586 O PHE B 13 -17.400 5.828 -16.868 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.104 6.703 -13.938 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.551 7.137 -13.879 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.573 6.184 -13.951 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.868 8.495 -13.767 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.911 6.592 -13.907 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.202 8.903 -13.725 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.223 7.953 -13.795 1.00 18.48 C ATOM 0 H PHE B 13 -16.704 8.459 -15.710 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.619 6.364 -15.462 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.979 5.736 -13.450 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.474 7.414 -13.403 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.330 5.136 -14.040 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.078 9.230 -13.713 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.702 5.858 -13.959 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.444 9.952 -13.638 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.255 8.268 -13.763 1.00 18.48 H new ATOM 1603 N THR B 14 -16.226 4.297 -15.822 1.00 14.89 N ATOM 1604 CA THR B 14 -17.005 3.198 -16.456 1.00 13.37 C ATOM 1605 C THR B 14 -17.247 2.098 -15.423 1.00 11.97 C ATOM 1606 O THR B 14 -16.421 1.844 -14.568 1.00 10.76 O ATOM 1607 CB THR B 14 -16.227 2.626 -17.643 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.824 3.687 -18.498 1.00 13.48 O ATOM 1609 CG2 THR B 14 -17.120 1.656 -18.415 1.00 9.24 C ATOM 0 H THR B 14 -15.490 3.995 -15.184 1.00 14.89 H new ATOM 0 HA THR B 14 -17.959 3.586 -16.812 1.00 13.37 H new ATOM 0 HB THR B 14 -15.345 2.097 -17.282 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.324 3.323 -19.258 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.567 1.248 -19.261 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.429 0.844 -17.757 1.00 9.24 H new ATOM 0 HG23 THR B 14 -18.002 2.184 -18.778 1.00 9.24 H new ATOM 1617 N THR B 15 -18.373 1.446 -15.490 1.00 13.20 N ATOM 1618 CA THR B 15 -18.667 0.366 -14.506 1.00 12.54 C ATOM 1619 C THR B 15 -17.930 -0.911 -14.913 1.00 14.34 C ATOM 1620 O THR B 15 -18.167 -1.467 -15.967 1.00 17.35 O ATOM 1621 CB THR B 15 -20.174 0.098 -14.477 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.864 1.228 -14.992 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.620 -0.164 -13.038 1.00 8.30 C ATOM 0 H THR B 15 -19.103 1.613 -16.183 1.00 13.20 H new ATOM 0 HA THR B 15 -18.334 0.677 -13.516 1.00 12.54 H new ATOM 0 HB THR B 15 -20.400 -0.775 -15.089 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.829 1.057 -14.976 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.693 -0.355 -13.019 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.090 -1.032 -12.645 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.395 0.707 -12.423 1.00 8.30 H new ATOM 1631 N ARG B 16 -17.040 -1.382 -14.084 1.00 15.28 N ATOM 1632 CA ARG B 16 -16.290 -2.623 -14.421 1.00 15.21 C ATOM 1633 C ARG B 16 -16.348 -3.589 -13.237 1.00 16.91 C ATOM 1634 O ARG B 16 -16.352 -3.182 -12.092 1.00 17.29 O ATOM 1635 CB ARG B 16 -14.832 -2.273 -14.723 1.00 15.77 C ATOM 1636 CG ARG B 16 -14.277 -3.250 -15.761 1.00 21.61 C ATOM 1637 CD ARG B 16 -13.479 -4.347 -15.054 1.00 24.15 C ATOM 1638 NE ARG B 16 -12.858 -5.242 -16.070 1.00 30.82 N ATOM 1639 CZ ARG B 16 -11.901 -6.061 -15.725 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -11.483 -6.100 -14.488 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -11.359 -6.842 -16.619 1.00 25.71 N ATOM 0 H ARG B 16 -16.800 -0.960 -13.187 1.00 15.28 H new ATOM 0 HA ARG B 16 -16.739 -3.093 -15.296 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -14.762 -1.251 -15.096 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -14.239 -2.320 -13.810 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -15.093 -3.691 -16.334 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -13.640 -2.721 -16.470 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -12.708 -3.903 -14.425 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -14.133 -4.922 -14.398 1.00 24.15 H new ATOM 0 HE ARG B 16 -13.181 -5.215 -17.037 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -11.904 -5.490 -13.788 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -10.735 -6.741 -14.222 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -11.683 -6.812 -17.586 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -10.611 -7.482 -16.351 1.00 25.71 H new ATOM 1655 N SER B 17 -16.393 -4.866 -13.500 1.00 22.35 N ATOM 1656 CA SER B 17 -16.451 -5.853 -12.385 1.00 28.62 C ATOM 1657 C SER B 17 -15.311 -5.577 -11.403 1.00 31.32 C ATOM 1658 O SER B 17 -14.148 -5.660 -11.747 1.00 33.90 O ATOM 1659 CB SER B 17 -16.309 -7.271 -12.946 1.00 30.78 C ATOM 1660 OG SER B 17 -15.774 -7.204 -14.261 1.00 38.77 O ATOM 0 H SER B 17 -16.392 -5.268 -14.437 1.00 22.35 H new ATOM 0 HA SER B 17 -17.407 -5.762 -11.870 1.00 28.62 H new ATOM 0 HB2 SER B 17 -15.657 -7.864 -12.305 1.00 30.78 H new ATOM 0 HB3 SER B 17 -17.279 -7.768 -12.960 1.00 30.78 H new ATOM 0 HG SER B 17 -15.680 -8.110 -14.623 1.00 38.77 H new ATOM 1666 N GLY B 18 -15.635 -5.250 -10.183 1.00 32.28 N ATOM 1667 CA GLY B 18 -14.572 -4.968 -9.177 1.00 32.82 C ATOM 1668 C GLY B 18 -14.695 -5.955 -8.018 1.00 34.58 C ATOM 1669 O GLY B 18 -15.715 -6.584 -7.836 1.00 34.04 O ATOM 0 H GLY B 18 -16.591 -5.166 -9.838 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -13.588 -5.053 -9.638 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -14.665 -3.946 -8.810 1.00 32.82 H new ATOM 1673 N VAL B 19 -13.670 -6.091 -7.226 1.00 36.31 N ATOM 1674 CA VAL B 19 -13.749 -7.029 -6.071 1.00 38.94 C ATOM 1675 C VAL B 19 -12.977 -6.441 -4.889 1.00 39.44 C ATOM 1676 O VAL B 19 -11.772 -6.294 -4.931 1.00 39.08 O ATOM 1677 CB VAL B 19 -13.150 -8.383 -6.450 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -13.853 -9.491 -5.663 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -13.334 -8.627 -7.951 1.00 39.95 C ATOM 0 H VAL B 19 -12.784 -5.596 -7.327 1.00 36.31 H new ATOM 0 HA VAL B 19 -14.794 -7.170 -5.796 1.00 38.94 H new ATOM 0 HB VAL B 19 -12.086 -8.386 -6.212 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -13.426 -10.457 -5.933 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -13.718 -9.321 -4.595 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -14.917 -9.486 -5.899 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -12.906 -9.593 -8.218 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -14.397 -8.622 -8.193 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -12.830 -7.840 -8.512 1.00 39.95 H new ATOM 1689 N SER B 20 -13.669 -6.095 -3.841 1.00 41.09 N ATOM 1690 CA SER B 20 -12.989 -5.504 -2.655 1.00 44.70 C ATOM 1691 C SER B 20 -11.760 -6.341 -2.297 1.00 47.21 C ATOM 1692 O SER B 20 -10.655 -6.047 -2.708 1.00 47.07 O ATOM 1693 CB SER B 20 -13.956 -5.484 -1.471 1.00 44.37 C ATOM 1694 OG SER B 20 -14.716 -4.283 -1.506 1.00 46.57 O ATOM 0 H SER B 20 -14.680 -6.196 -3.754 1.00 41.09 H new ATOM 0 HA SER B 20 -12.677 -4.486 -2.887 1.00 44.70 H new ATOM 0 HB2 SER B 20 -14.618 -6.349 -1.513 1.00 44.37 H new ATOM 0 HB3 SER B 20 -13.403 -5.551 -0.534 1.00 44.37 H new ATOM 0 HG SER B 20 -15.338 -4.268 -0.749 1.00 46.57 H new ATOM 1700 N ARG B 21 -11.944 -7.382 -1.532 1.00 50.78 N ATOM 1701 CA ARG B 21 -10.786 -8.236 -1.146 1.00 55.55 C ATOM 1702 C ARG B 21 -11.123 -9.702 -1.423 1.00 55.58 C ATOM 1703 O ARG B 21 -11.107 -10.531 -0.535 1.00 54.47 O ATOM 1704 CB ARG B 21 -10.494 -8.053 0.344 1.00 59.49 C ATOM 1705 CG ARG B 21 -11.760 -8.345 1.151 1.00 60.53 C ATOM 1706 CD ARG B 21 -12.058 -7.168 2.081 1.00 64.36 C ATOM 1707 NE ARG B 21 -12.734 -7.668 3.312 1.00 68.68 N ATOM 1708 CZ ARG B 21 -12.821 -6.907 4.370 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -12.316 -5.702 4.355 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -13.414 -7.351 5.444 1.00 71.56 N ATOM 0 H ARG B 21 -12.846 -7.678 -1.158 1.00 50.78 H new ATOM 0 HA ARG B 21 -9.910 -7.947 -1.726 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -9.691 -8.722 0.653 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -10.154 -7.036 0.537 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -12.601 -8.513 0.479 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -11.630 -9.258 1.733 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -11.133 -6.655 2.344 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -12.693 -6.441 1.574 1.00 64.36 H new ATOM 0 HE ARG B 21 -13.130 -8.608 3.328 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -11.853 -5.354 3.516 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -12.385 -5.110 5.182 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -13.809 -8.291 5.457 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -13.483 -6.758 6.271 1.00 71.56 H new ATOM 1724 N GLN B 22 -11.430 -10.029 -2.648 1.00 57.32 N ATOM 1725 CA GLN B 22 -11.769 -11.441 -2.979 1.00 58.73 C ATOM 1726 C GLN B 22 -12.968 -11.885 -2.137 1.00 58.18 C ATOM 1727 O GLN B 22 -13.250 -13.060 -2.013 1.00 59.52 O ATOM 1728 CB GLN B 22 -10.568 -12.339 -2.674 1.00 62.32 C ATOM 1729 CG GLN B 22 -9.383 -11.921 -3.548 1.00 65.12 C ATOM 1730 CD GLN B 22 -8.075 -12.242 -2.824 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -7.496 -11.388 -2.183 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -7.580 -13.448 -2.900 1.00 65.96 N ATOM 0 H GLN B 22 -11.461 -9.379 -3.434 1.00 57.32 H new ATOM 0 HA GLN B 22 -12.019 -11.519 -4.037 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -10.301 -12.262 -1.620 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -10.823 -13.382 -2.863 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -9.420 -12.445 -4.503 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -9.437 -10.855 -3.767 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -8.066 -14.166 -3.438 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -6.708 -13.672 -2.421 1.00 65.96 H new ATOM 1741 N GLY B 23 -13.675 -10.952 -1.561 1.00 55.49 N ATOM 1742 CA GLY B 23 -14.856 -11.317 -0.729 1.00 50.89 C ATOM 1743 C GLY B 23 -16.124 -11.210 -1.576 1.00 48.17 C ATOM 1744 O GLY B 23 -16.884 -12.151 -1.698 1.00 50.32 O ATOM 0 H GLY B 23 -13.486 -9.952 -1.631 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -14.746 -12.331 -0.346 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -14.925 -10.656 0.135 1.00 50.89 H new ATOM 1748 N LYS B 24 -16.358 -10.070 -2.166 1.00 44.99 N ATOM 1749 CA LYS B 24 -17.574 -9.901 -3.009 1.00 42.22 C ATOM 1750 C LYS B 24 -17.247 -8.975 -4.184 1.00 42.41 C ATOM 1751 O LYS B 24 -16.379 -8.131 -4.083 1.00 42.26 O ATOM 1752 CB LYS B 24 -18.699 -9.289 -2.170 1.00 40.33 C ATOM 1753 CG LYS B 24 -19.396 -10.392 -1.370 1.00 40.86 C ATOM 1754 CD LYS B 24 -20.761 -9.892 -0.892 1.00 37.00 C ATOM 1755 CE LYS B 24 -21.448 -10.987 -0.073 1.00 36.58 C ATOM 1756 NZ LYS B 24 -22.905 -11.003 -0.388 1.00 34.22 N ATOM 0 H LYS B 24 -15.758 -9.247 -2.100 1.00 44.99 H new ATOM 0 HA LYS B 24 -17.896 -10.872 -3.387 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -18.295 -8.535 -1.495 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -19.417 -8.785 -2.817 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -19.519 -11.282 -1.988 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -18.783 -10.679 -0.516 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -20.640 -8.993 -0.287 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -21.380 -9.620 -1.747 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -21.005 -11.957 -0.299 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -21.297 -10.808 0.992 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -23.372 -11.747 0.168 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -23.322 -10.080 -0.151 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -23.039 -11.193 -1.402 1.00 34.22 H new ATOM 1770 N PRO B 25 -17.953 -9.165 -5.269 1.00 42.36 N ATOM 1771 CA PRO B 25 -17.762 -8.365 -6.490 1.00 40.32 C ATOM 1772 C PRO B 25 -18.414 -6.987 -6.345 1.00 36.91 C ATOM 1773 O PRO B 25 -19.557 -6.869 -5.949 1.00 36.63 O ATOM 1774 CB PRO B 25 -18.455 -9.188 -7.574 1.00 42.73 C ATOM 1775 CG PRO B 25 -19.466 -10.097 -6.847 1.00 43.71 C ATOM 1776 CD PRO B 25 -19.006 -10.192 -5.381 1.00 44.10 C ATOM 0 HA PRO B 25 -16.712 -8.175 -6.713 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -18.960 -8.540 -8.291 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -17.732 -9.781 -8.134 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -20.473 -9.683 -6.910 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -19.498 -11.085 -7.307 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -19.828 -9.998 -4.692 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -18.622 -11.185 -5.147 1.00 44.10 H new ATOM 1784 N TYR B 26 -17.696 -5.945 -6.666 1.00 32.09 N ATOM 1785 CA TYR B 26 -18.272 -4.580 -6.550 1.00 27.86 C ATOM 1786 C TYR B 26 -18.011 -3.797 -7.843 1.00 26.29 C ATOM 1787 O TYR B 26 -16.936 -3.280 -8.072 1.00 28.07 O ATOM 1788 CB TYR B 26 -17.657 -3.863 -5.338 1.00 23.99 C ATOM 1789 CG TYR B 26 -16.258 -3.359 -5.638 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -15.174 -4.246 -5.692 1.00 24.19 C ATOM 1791 CD2 TYR B 26 -16.047 -1.988 -5.828 1.00 24.63 C ATOM 1792 CE1 TYR B 26 -13.883 -3.756 -5.942 1.00 24.77 C ATOM 1793 CE2 TYR B 26 -14.757 -1.504 -6.073 1.00 24.84 C ATOM 1794 CZ TYR B 26 -13.678 -2.388 -6.131 1.00 24.25 C ATOM 1795 OH TYR B 26 -12.407 -1.909 -6.372 1.00 29.25 O ATOM 0 H TYR B 26 -16.734 -5.983 -7.004 1.00 32.09 H new ATOM 0 HA TYR B 26 -19.350 -4.646 -6.401 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -18.292 -3.025 -5.049 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -17.624 -4.546 -4.489 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -15.332 -5.304 -5.542 1.00 24.19 H new ATOM 0 HD2 TYR B 26 -16.881 -1.303 -5.785 1.00 24.63 H new ATOM 0 HE1 TYR B 26 -13.047 -4.438 -5.988 1.00 24.77 H new ATOM 0 HE2 TYR B 26 -14.596 -0.446 -6.217 1.00 24.84 H new ATOM 0 HH TYR B 26 -12.440 -0.936 -6.482 1.00 29.25 H new ATOM 1805 N SER B 27 -18.997 -3.714 -8.696 1.00 24.52 N ATOM 1806 CA SER B 27 -18.821 -2.973 -9.977 1.00 22.20 C ATOM 1807 C SER B 27 -18.759 -1.473 -9.686 1.00 20.52 C ATOM 1808 O SER B 27 -19.711 -0.748 -9.898 1.00 23.07 O ATOM 1809 CB SER B 27 -20.005 -3.263 -10.900 1.00 25.30 C ATOM 1810 OG SER B 27 -20.294 -4.654 -10.870 1.00 29.25 O ATOM 0 H SER B 27 -19.919 -4.129 -8.560 1.00 24.52 H new ATOM 0 HA SER B 27 -17.898 -3.292 -10.461 1.00 22.20 H new ATOM 0 HB2 SER B 27 -20.877 -2.692 -10.582 1.00 25.30 H new ATOM 0 HB3 SER B 27 -19.773 -2.950 -11.918 1.00 25.30 H new ATOM 0 HG SER B 27 -21.054 -4.843 -11.459 1.00 29.25 H new ATOM 1816 N LEU B 28 -17.649 -1.003 -9.191 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.527 0.446 -8.871 1.00 16.31 C ATOM 1818 C LEU B 28 -17.050 1.220 -10.104 1.00 14.21 C ATOM 1819 O LEU B 28 -16.232 0.749 -10.870 1.00 16.97 O ATOM 1820 CB LEU B 28 -16.518 0.619 -7.739 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.223 1.129 -6.479 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.566 2.611 -6.647 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -18.509 0.329 -6.250 1.00 22.01 C ATOM 0 H LEU B 28 -16.819 -1.561 -8.994 1.00 18.57 H new ATOM 0 HA LEU B 28 -18.500 0.833 -8.567 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.027 -0.332 -7.531 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -15.740 1.321 -8.039 1.00 16.48 H new ATOM 0 HG LEU B 28 -16.562 1.005 -5.621 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.068 2.972 -5.749 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -16.650 3.181 -6.805 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -18.225 2.737 -7.506 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -19.009 0.693 -5.353 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -19.170 0.449 -7.108 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -18.264 -0.726 -6.126 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.555 2.409 -10.293 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.140 3.231 -11.466 1.00 9.77 C ATOM 1837 C ASN B 29 -15.613 3.306 -11.537 1.00 7.94 C ATOM 1838 O ASN B 29 -14.963 3.756 -10.614 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.671 4.653 -11.302 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.190 4.682 -11.439 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.813 3.671 -11.695 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.814 5.818 -11.277 1.00 12.89 N ATOM 0 H ASN B 29 -18.242 2.849 -9.681 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.537 2.772 -12.372 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.382 5.044 -10.327 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.221 5.303 -12.052 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.829 5.859 -11.365 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.286 6.664 -11.062 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.034 2.902 -12.631 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.552 2.989 -12.762 1.00 13.16 C ATOM 1851 C GLU B 30 -13.219 4.251 -13.562 1.00 12.26 C ATOM 1852 O GLU B 30 -14.030 4.731 -14.326 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.025 1.756 -13.500 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.895 0.589 -12.520 1.00 27.13 C ATOM 1855 CD GLU B 30 -14.236 -0.139 -12.411 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -15.100 0.127 -13.231 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -14.376 -0.950 -11.511 1.00 40.03 O ATOM 0 H GLU B 30 -15.521 2.516 -13.440 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.087 3.032 -11.777 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.701 1.489 -14.312 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.057 1.975 -13.951 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.122 -0.100 -12.860 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -12.588 0.955 -11.541 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.047 4.804 -13.397 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.710 6.042 -14.162 1.00 9.46 C ATOM 1866 C GLN B 31 -10.221 6.065 -14.505 1.00 10.09 C ATOM 1867 O GLN B 31 -9.480 5.162 -14.173 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.053 7.276 -13.322 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.518 8.408 -14.243 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.541 9.581 -14.150 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.555 9.510 -13.444 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.775 10.667 -14.836 1.00 12.39 N ATOM 0 H GLN B 31 -11.316 4.459 -12.775 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.289 6.051 -15.085 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.835 7.033 -12.603 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.181 7.593 -12.750 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.577 8.052 -15.272 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.519 8.733 -13.960 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.603 10.727 -15.429 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.130 11.455 -14.779 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.780 7.098 -15.176 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.343 7.185 -15.550 1.00 10.34 C ATOM 1883 C LEU B 32 -7.843 8.623 -15.380 1.00 9.02 C ATOM 1884 O LEU B 32 -8.563 9.575 -15.606 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.177 6.747 -17.005 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.413 5.239 -17.106 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.670 4.855 -18.564 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.177 4.496 -16.590 1.00 15.89 C ATOM 0 H LEU B 32 -10.356 7.883 -15.480 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.759 6.532 -14.902 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.883 7.281 -17.641 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.177 6.995 -17.360 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.280 4.966 -16.504 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.838 3.780 -18.633 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.550 5.384 -18.930 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.806 5.127 -19.170 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.343 3.421 -16.661 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.310 4.770 -17.192 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.997 4.768 -15.550 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.605 8.780 -14.995 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.023 10.137 -14.814 1.00 8.10 C ATOM 1902 C CYS B 33 -4.524 10.014 -15.042 1.00 6.34 C ATOM 1903 O CYS B 33 -4.039 8.956 -15.367 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.289 10.657 -13.396 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.970 10.222 -12.888 1.00 13.84 S ATOM 0 H CYS B 33 -5.964 8.012 -14.796 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.475 10.839 -15.515 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.567 10.229 -12.701 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.159 11.739 -13.365 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.743 10.186 -13.932 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.781 11.065 -14.880 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.316 10.952 -15.106 1.00 7.08 C ATOM 1913 C TYR B 34 -1.561 11.509 -13.905 1.00 7.71 C ATOM 1914 O TYR B 34 -1.602 12.691 -13.631 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.933 11.746 -16.347 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.156 10.909 -17.584 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.147 10.056 -18.048 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -3.362 11.014 -18.283 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -1.345 9.311 -19.212 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -3.561 10.266 -19.444 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.551 9.418 -19.909 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.747 8.683 -21.061 1.00 21.14 O ATOM 0 H TYR B 34 -4.116 11.988 -14.604 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.056 9.902 -15.242 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.527 12.658 -16.403 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.888 12.049 -16.287 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.216 9.975 -17.506 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -4.139 11.673 -17.925 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -0.568 8.654 -19.573 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -4.494 10.342 -19.983 1.00 17.22 H new ATOM 0 HH TYR B 34 -3.638 8.872 -21.422 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.869 10.672 -13.187 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.115 11.166 -12.004 1.00 10.66 C ATOM 1934 C VAL B 35 1.384 11.175 -12.302 1.00 10.57 C ATOM 1935 O VAL B 35 1.992 10.144 -12.504 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.386 10.255 -10.807 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.320 10.820 -9.572 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.893 10.189 -10.550 1.00 9.86 C ATOM 0 H VAL B 35 -0.793 9.671 -13.367 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.441 12.181 -11.776 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.010 9.253 -11.015 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.129 10.173 -8.716 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.393 10.870 -9.757 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.059 11.820 -9.362 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.088 9.540 -9.697 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.270 11.190 -10.339 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.395 9.791 -11.432 1.00 9.86 H new ATOM 1948 N ASP B 36 1.992 12.332 -12.315 1.00 8.58 N ATOM 1949 CA ASP B 36 3.445 12.392 -12.572 1.00 11.48 C ATOM 1950 C ASP B 36 4.152 11.683 -11.421 1.00 12.38 C ATOM 1951 O ASP B 36 5.140 11.007 -11.605 1.00 11.89 O ATOM 1952 CB ASP B 36 3.899 13.852 -12.638 1.00 16.17 C ATOM 1953 CG ASP B 36 3.120 14.580 -13.735 1.00 17.97 C ATOM 1954 OD1 ASP B 36 3.204 14.156 -14.876 1.00 25.89 O ATOM 1955 OD2 ASP B 36 2.452 15.549 -13.415 1.00 15.67 O ATOM 0 H ASP B 36 1.539 13.232 -12.158 1.00 8.58 H new ATOM 0 HA ASP B 36 3.685 11.911 -13.520 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.735 14.339 -11.677 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.969 13.902 -12.842 1.00 16.17 H new ATOM 1960 N LEU B 37 3.634 11.827 -10.230 1.00 13.17 N ATOM 1961 CA LEU B 37 4.254 11.156 -9.054 1.00 18.47 C ATOM 1962 C LEU B 37 5.768 11.368 -9.073 1.00 21.14 C ATOM 1963 O LEU B 37 6.535 10.442 -8.913 1.00 24.24 O ATOM 1964 CB LEU B 37 3.952 9.658 -9.115 1.00 15.81 C ATOM 1965 CG LEU B 37 4.605 8.958 -7.925 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.537 8.194 -7.138 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.667 7.977 -8.430 1.00 20.01 C ATOM 0 H LEU B 37 2.805 12.383 -10.022 1.00 13.17 H new ATOM 0 HA LEU B 37 3.844 11.581 -8.138 1.00 18.47 H new ATOM 0 HB2 LEU B 37 2.875 9.493 -9.102 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.327 9.238 -10.048 1.00 15.81 H new ATOM 0 HG LEU B 37 5.075 9.699 -7.278 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.000 7.693 -6.288 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.780 8.892 -6.780 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.069 7.452 -7.785 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.133 7.477 -7.581 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.199 7.234 -9.076 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.426 8.520 -8.993 1.00 20.01 H new ATOM 1979 N GLY B 38 6.209 12.577 -9.265 1.00 20.70 N ATOM 1980 CA GLY B 38 7.673 12.826 -9.292 1.00 23.91 C ATOM 1981 C GLY B 38 8.244 12.361 -10.638 1.00 26.50 C ATOM 1982 O GLY B 38 9.424 12.488 -10.902 1.00 31.02 O ATOM 0 H GLY B 38 5.622 13.400 -9.404 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.875 13.887 -9.146 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.159 12.293 -8.475 1.00 23.91 H new ATOM 1986 N ASN B 39 7.408 11.836 -11.494 1.00 27.64 N ATOM 1987 CA ASN B 39 7.872 11.375 -12.824 1.00 30.27 C ATOM 1988 C ASN B 39 7.392 12.376 -13.872 1.00 26.79 C ATOM 1989 O ASN B 39 6.268 12.318 -14.324 1.00 26.87 O ATOM 1990 CB ASN B 39 7.295 9.988 -13.144 1.00 35.62 C ATOM 1991 CG ASN B 39 6.956 9.239 -11.851 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.730 9.236 -10.915 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.819 8.597 -11.764 1.00 39.63 N ATOM 0 H ASN B 39 6.411 11.708 -11.321 1.00 27.64 H new ATOM 0 HA ASN B 39 8.960 11.306 -12.827 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.400 10.092 -13.757 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.015 9.413 -13.727 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.582 8.093 -10.909 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.170 8.600 -12.551 1.00 39.63 H new ATOM 2000 N GLU B 40 8.239 13.301 -14.229 1.00 25.15 N ATOM 2001 CA GLU B 40 7.879 14.353 -15.235 1.00 23.81 C ATOM 2002 C GLU B 40 6.815 13.845 -16.206 1.00 21.12 C ATOM 2003 O GLU B 40 5.883 14.545 -16.548 1.00 19.86 O ATOM 2004 CB GLU B 40 9.131 14.752 -16.018 1.00 27.22 C ATOM 2005 CG GLU B 40 9.904 15.816 -15.236 1.00 34.87 C ATOM 2006 CD GLU B 40 11.238 15.235 -14.764 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.296 14.037 -14.545 1.00 39.54 O ATOM 2008 OE2 GLU B 40 12.180 15.999 -14.630 1.00 42.34 O ATOM 0 H GLU B 40 9.187 13.378 -13.861 1.00 25.15 H new ATOM 0 HA GLU B 40 7.476 15.215 -14.704 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.762 13.879 -16.186 1.00 27.22 H new ATOM 0 HB3 GLU B 40 8.852 15.137 -16.999 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.078 16.689 -15.864 1.00 34.87 H new ATOM 0 HG3 GLU B 40 9.318 16.151 -14.380 1.00 34.87 H new ATOM 2015 N HIS B 41 6.942 12.631 -16.639 1.00 4.82 N ATOM 2016 CA HIS B 41 5.932 12.062 -17.580 1.00 4.41 C ATOM 2017 C HIS B 41 4.691 11.659 -16.781 1.00 3.39 C ATOM 2018 O HIS B 41 4.806 11.160 -15.680 1.00 2.52 O ATOM 2019 CB HIS B 41 6.514 10.829 -18.277 1.00 4.81 C ATOM 2020 CG HIS B 41 7.841 11.177 -18.894 1.00 4.35 C ATOM 2021 ND1 HIS B 41 9.039 11.002 -18.220 1.00 4.61 N ATOM 2022 CD2 HIS B 41 8.173 11.688 -20.123 1.00 5.15 C ATOM 2023 CE1 HIS B 41 10.028 11.401 -19.040 1.00 5.81 C ATOM 2024 NE2 HIS B 41 9.555 11.829 -20.214 1.00 6.56 N ATOM 0 H HIS B 41 7.702 12.000 -16.385 1.00 4.82 H new ATOM 0 HA HIS B 41 5.667 12.804 -18.333 1.00 4.41 H new ATOM 0 HB2 HIS B 41 6.637 10.017 -17.560 1.00 4.81 H new ATOM 0 HB3 HIS B 41 5.826 10.474 -19.045 1.00 4.81 H new ATOM 0 HD2 HIS B 41 7.469 11.942 -20.902 1.00 5.15 H new ATOM 0 HE1 HIS B 41 11.076 11.378 -18.781 1.00 5.81 H new ATOM 0 HE2 HIS B 41 10.091 12.183 -21.006 1.00 6.56 H new ATOM 2032 N PRO B 42 3.537 11.890 -17.348 1.00 15.11 N ATOM 2033 CA PRO B 42 2.266 11.563 -16.685 1.00 16.08 C ATOM 2034 C PRO B 42 2.002 10.065 -16.747 1.00 17.92 C ATOM 2035 O PRO B 42 2.183 9.431 -17.768 1.00 17.13 O ATOM 2036 CB PRO B 42 1.223 12.317 -17.503 1.00 16.41 C ATOM 2037 CG PRO B 42 1.851 12.556 -18.891 1.00 13.79 C ATOM 2038 CD PRO B 42 3.382 12.484 -18.693 1.00 16.28 C ATOM 0 HA PRO B 42 2.259 11.837 -15.630 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.303 11.739 -17.587 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.963 13.262 -17.026 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.515 11.803 -19.604 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.556 13.527 -19.289 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.856 11.869 -19.459 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.839 13.472 -18.749 1.00 16.28 H new ATOM 2046 N VAL B 43 1.561 9.496 -15.667 1.00 16.29 N ATOM 2047 CA VAL B 43 1.268 8.043 -15.672 1.00 14.28 C ATOM 2048 C VAL B 43 -0.241 7.851 -15.645 1.00 9.00 C ATOM 2049 O VAL B 43 -0.913 8.255 -14.717 1.00 7.99 O ATOM 2050 CB VAL B 43 1.907 7.382 -14.451 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.330 7.914 -14.270 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.081 7.695 -13.199 1.00 20.57 C ATOM 0 H VAL B 43 1.391 9.973 -14.782 1.00 16.29 H new ATOM 0 HA VAL B 43 1.680 7.582 -16.570 1.00 14.28 H new ATOM 0 HB VAL B 43 1.937 6.303 -14.601 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.786 7.443 -13.399 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.920 7.685 -15.158 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.299 8.994 -14.124 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.541 7.221 -12.332 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.045 8.774 -13.047 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.068 7.313 -13.326 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.783 7.254 -16.662 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.249 7.062 -16.697 1.00 11.55 C ATOM 2064 C LEU B 44 -2.679 6.108 -15.581 1.00 10.61 C ATOM 2065 O LEU B 44 -2.612 4.902 -15.710 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.661 6.507 -18.051 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.168 6.276 -18.055 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.886 7.621 -17.926 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.578 5.599 -19.365 1.00 20.21 C ATOM 0 H LEU B 44 -0.274 6.892 -17.468 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.740 8.023 -16.543 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.385 7.203 -18.843 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.136 5.573 -18.250 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.442 5.635 -17.217 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.964 7.460 -17.929 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.593 8.102 -16.993 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.613 8.261 -18.765 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.655 5.434 -19.368 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.307 6.238 -20.205 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -4.064 4.642 -19.456 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.127 6.656 -14.489 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.580 5.817 -13.342 1.00 9.29 C ATOM 2083 C VAL B 45 -5.104 5.718 -13.374 1.00 9.95 C ATOM 2084 O VAL B 45 -5.759 6.422 -14.117 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.120 6.458 -12.035 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.909 5.877 -10.857 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.628 6.179 -11.836 1.00 10.20 C ATOM 0 H VAL B 45 -3.200 7.662 -14.338 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.152 4.817 -13.414 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.294 7.533 -12.082 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.573 6.341 -9.930 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.972 6.075 -10.998 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.745 4.801 -10.804 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.294 6.635 -10.904 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.462 5.103 -11.794 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.065 6.601 -12.668 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.681 4.843 -12.596 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.164 4.715 -12.631 1.00 12.81 C ATOM 2099 C LYS B 46 -7.793 5.075 -11.281 1.00 13.35 C ATOM 2100 O LYS B 46 -7.225 4.850 -10.230 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.546 3.282 -13.008 1.00 17.04 C ATOM 2102 CG LYS B 46 -7.216 2.336 -11.852 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.939 1.005 -12.063 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.672 0.499 -13.483 1.00 34.48 C ATOM 2105 NZ LYS B 46 -6.251 0.063 -13.596 1.00 36.74 N ATOM 0 H LYS B 46 -5.198 4.221 -11.948 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.545 5.413 -13.377 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -8.609 3.229 -13.241 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.007 2.976 -13.905 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -6.140 2.173 -11.797 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -7.520 2.782 -10.905 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.594 0.272 -11.333 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -9.010 1.132 -11.906 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.338 -0.332 -13.716 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -7.880 1.287 -14.207 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -5.782 0.601 -14.352 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -5.762 0.235 -12.694 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.216 -0.952 -13.820 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.981 5.624 -11.320 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.696 5.999 -10.069 1.00 16.93 C ATOM 2121 C ILE B 47 -10.919 5.097 -9.919 1.00 16.52 C ATOM 2122 O ILE B 47 -11.202 4.273 -10.767 1.00 17.67 O ATOM 2123 CB ILE B 47 -10.172 7.457 -10.143 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.271 8.266 -11.084 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.141 8.079 -8.744 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.963 8.626 -10.375 1.00 18.26 C ATOM 0 H ILE B 47 -9.490 5.830 -12.180 1.00 13.96 H new ATOM 0 HA ILE B 47 -9.020 5.884 -9.222 1.00 16.93 H new ATOM 0 HB ILE B 47 -11.191 7.475 -10.530 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.059 7.689 -11.984 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.784 9.174 -11.401 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.479 9.114 -8.798 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.799 7.517 -8.081 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -9.123 8.050 -8.355 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.329 9.200 -11.051 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -8.182 9.221 -9.488 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.446 7.713 -10.080 1.00 18.26 H new ATOM 2138 N THR B 48 -11.655 5.248 -8.855 1.00 16.86 N ATOM 2139 CA THR B 48 -12.862 4.404 -8.664 1.00 16.59 C ATOM 2140 C THR B 48 -14.079 5.300 -8.417 1.00 19.04 C ATOM 2141 O THR B 48 -14.561 5.418 -7.308 1.00 22.56 O ATOM 2142 CB THR B 48 -12.654 3.484 -7.465 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.317 3.610 -6.999 1.00 17.90 O ATOM 2144 CG2 THR B 48 -12.918 2.040 -7.884 1.00 16.02 C ATOM 0 H THR B 48 -11.472 5.920 -8.110 1.00 16.86 H new ATOM 0 HA THR B 48 -13.030 3.803 -9.558 1.00 16.59 H new ATOM 0 HB THR B 48 -13.342 3.761 -6.666 1.00 16.30 H new ATOM 0 HG1 THR B 48 -10.974 2.727 -6.747 1.00 17.90 H new ATOM 0 HG21 THR B 48 -12.770 1.380 -7.029 1.00 16.02 H new ATOM 0 HG22 THR B 48 -13.944 1.947 -8.241 1.00 16.02 H new ATOM 0 HG23 THR B 48 -12.229 1.761 -8.681 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.578 5.928 -9.446 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.766 6.815 -9.285 1.00 18.82 C ATOM 2154 C LEU B 49 -16.785 6.128 -8.372 1.00 20.06 C ATOM 2155 O LEU B 49 -16.862 4.917 -8.311 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.390 7.070 -10.668 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.186 8.524 -11.108 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.305 9.395 -10.528 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.828 9.048 -10.624 1.00 14.50 C ATOM 0 H LEU B 49 -14.212 5.865 -10.396 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.469 7.765 -8.841 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.942 6.399 -11.401 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.456 6.843 -10.637 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.210 8.567 -12.197 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.160 10.429 -10.841 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.269 9.038 -10.890 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.283 9.339 -9.440 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.701 10.082 -10.946 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.786 8.999 -9.536 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.031 8.436 -11.046 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.564 6.890 -7.654 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.572 6.276 -6.744 1.00 27.04 C ATOM 2173 C ASP B 50 -19.965 6.795 -7.103 1.00 27.73 C ATOM 2174 O ASP B 50 -20.125 7.914 -7.546 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.246 6.650 -5.296 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.886 5.633 -4.348 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.356 4.617 -4.832 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -18.894 5.888 -3.155 1.00 33.99 O ATOM 0 H ASP B 50 -17.546 7.910 -7.658 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.549 5.192 -6.854 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.166 6.670 -5.149 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -18.616 7.651 -5.076 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.976 5.992 -6.918 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.355 6.449 -7.253 1.00 34.22 C ATOM 2185 C GLU B 51 -22.354 7.077 -8.648 1.00 34.98 C ATOM 2186 O GLU B 51 -21.589 6.694 -9.511 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.810 7.488 -6.226 1.00 38.24 C ATOM 2188 CG GLU B 51 -24.280 7.249 -5.875 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.901 8.549 -5.361 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -24.150 9.429 -4.974 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -26.117 8.643 -5.364 1.00 54.92 O ATOM 0 H GLU B 51 -20.908 5.043 -6.551 1.00 31.16 H new ATOM 0 HA GLU B 51 -23.037 5.599 -7.236 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.195 7.421 -5.328 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.680 8.493 -6.627 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.822 6.897 -6.753 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -24.362 6.470 -5.117 1.00 46.84 H new ATOM 2198 N GLY B 52 -23.205 8.040 -8.877 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.251 8.690 -10.218 1.00 34.93 C ATOM 2200 C GLY B 52 -22.293 9.882 -10.243 1.00 36.10 C ATOM 2201 O GLY B 52 -22.376 10.737 -11.102 1.00 35.97 O ATOM 0 H GLY B 52 -23.870 8.404 -8.194 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -22.975 7.973 -10.991 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.266 9.021 -10.438 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.385 9.949 -9.308 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.426 11.089 -9.284 1.00 35.40 C ATOM 2207 C GLN B 53 -19.882 11.329 -10.693 1.00 31.02 C ATOM 2208 O GLN B 53 -19.754 10.405 -11.472 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.262 10.764 -8.344 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.434 11.536 -7.034 1.00 47.61 C ATOM 2211 CD GLN B 53 -19.076 10.630 -5.854 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -18.031 10.010 -5.844 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -19.905 10.527 -4.852 1.00 54.76 N ATOM 0 H GLN B 53 -21.266 9.265 -8.561 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.941 11.983 -8.932 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.229 9.693 -8.146 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.315 11.031 -8.814 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -18.795 12.419 -7.034 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -20.462 11.886 -6.938 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -20.782 11.047 -4.860 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -19.676 9.926 -4.060 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.569 12.567 -10.975 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.024 12.969 -12.280 1.00 23.44 C ATOM 2224 C PRO B 54 -17.540 12.608 -12.359 1.00 20.14 C ATOM 2225 O PRO B 54 -16.725 13.156 -11.644 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.222 14.484 -12.305 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.338 14.929 -10.831 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.730 13.681 -10.020 1.00 28.37 C ATOM 0 HA PRO B 54 -19.507 12.474 -13.122 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.383 14.978 -12.796 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.120 14.750 -12.863 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.393 15.340 -10.476 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.088 15.713 -10.721 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.089 13.554 -9.148 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.755 13.748 -9.655 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.187 11.683 -13.212 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.760 11.278 -13.332 1.00 15.58 C ATOM 2238 C ALA B 55 -14.852 12.504 -13.227 1.00 16.41 C ATOM 2239 O ALA B 55 -15.243 13.611 -13.541 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.542 10.602 -14.683 1.00 13.98 C ATOM 0 H ALA B 55 -17.830 11.190 -13.832 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.516 10.586 -12.525 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.498 10.303 -14.776 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.179 9.721 -14.756 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.793 11.299 -15.483 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.639 12.311 -12.787 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.696 13.456 -12.659 1.00 14.61 C ATOM 2248 C TYR B 56 -12.676 14.242 -13.972 1.00 15.51 C ATOM 2249 O TYR B 56 -12.233 13.755 -14.992 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.294 12.926 -12.343 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.334 12.156 -11.038 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.692 10.803 -11.034 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -11.027 12.802 -9.835 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.741 10.096 -9.828 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -11.078 12.095 -8.629 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.434 10.742 -8.625 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.484 10.045 -7.435 1.00 12.03 O ATOM 0 H TYR B 56 -13.260 11.406 -12.510 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.019 14.114 -11.852 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.946 12.280 -13.149 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.588 13.753 -12.270 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.930 10.305 -11.962 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.751 13.846 -9.838 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.016 9.052 -9.825 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.842 12.594 -7.701 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.241 10.641 -6.696 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.162 15.454 -13.955 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.179 16.271 -15.203 1.00 14.95 C ATOM 2269 C ALA B 57 -11.742 16.495 -15.687 1.00 15.46 C ATOM 2270 O ALA B 57 -10.802 16.074 -15.043 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.839 17.621 -14.914 1.00 14.98 C ATOM 0 H ALA B 57 -13.548 15.914 -13.131 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.742 15.748 -15.976 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.853 18.221 -15.824 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.860 17.460 -14.569 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.274 18.145 -14.143 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.617 17.156 -16.811 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.306 17.456 -17.412 1.00 16.55 C ATOM 2279 C PRO B 58 -9.644 18.624 -16.680 1.00 16.75 C ATOM 2280 O PRO B 58 -10.118 19.742 -16.717 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.650 17.835 -18.856 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.133 18.275 -18.850 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.768 17.667 -17.585 1.00 13.96 C ATOM 0 HA PRO B 58 -9.604 16.624 -17.354 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.007 18.641 -19.210 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.499 16.989 -19.526 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.215 19.362 -18.840 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.645 17.925 -19.747 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.327 18.414 -17.021 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.466 16.868 -17.835 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.553 18.373 -16.009 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.868 19.470 -15.271 1.00 15.08 C ATOM 2293 C GLY B 59 -6.706 18.898 -14.458 1.00 14.96 C ATOM 2294 O GLY B 59 -6.467 17.708 -14.457 1.00 13.79 O ATOM 0 H GLY B 59 -8.108 17.458 -15.940 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.500 20.218 -15.973 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.574 19.973 -14.610 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.986 19.734 -13.757 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.852 19.232 -12.930 1.00 14.53 C ATOM 2300 C LEU B 60 -5.427 18.534 -11.701 1.00 14.15 C ATOM 2301 O LEU B 60 -6.537 18.809 -11.297 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.983 20.408 -12.482 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.873 20.643 -13.503 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.446 21.371 -14.721 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.770 21.496 -12.869 1.00 15.01 C ATOM 0 H LEU B 60 -6.135 20.742 -13.722 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.243 18.539 -13.511 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.593 21.306 -12.380 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.552 20.202 -11.502 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.457 19.685 -13.816 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.654 21.539 -15.450 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.231 20.764 -15.172 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.862 22.329 -14.410 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.977 21.665 -13.597 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.185 22.454 -12.556 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.362 20.977 -12.002 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.701 17.631 -11.102 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.252 16.939 -9.912 1.00 9.57 C ATOM 2319 C TYR B 61 -4.178 16.666 -8.880 1.00 11.76 C ATOM 2320 O TYR B 61 -2.993 16.684 -9.149 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.882 15.617 -10.327 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.278 15.884 -10.805 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.486 16.409 -12.080 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.363 15.629 -9.959 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -8.782 16.680 -12.517 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.661 15.897 -10.396 1.00 13.03 C ATOM 2327 CZ TYR B 61 -9.868 16.423 -11.674 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.151 16.689 -12.112 1.00 14.61 O ATOM 0 H TYR B 61 -3.762 17.347 -11.383 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.002 17.594 -9.469 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.294 15.149 -11.117 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.896 14.924 -9.486 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.645 16.605 -12.728 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.196 15.226 -8.971 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -8.947 17.087 -13.504 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.503 15.699 -9.749 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.165 16.707 -13.092 1.00 14.61 H new ATOM 2338 N THR B 62 -4.619 16.383 -7.698 1.00 12.22 N ATOM 2339 CA THR B 62 -3.703 16.062 -6.592 1.00 14.26 C ATOM 2340 C THR B 62 -4.409 15.030 -5.743 1.00 15.40 C ATOM 2341 O THR B 62 -5.515 15.242 -5.285 1.00 16.24 O ATOM 2342 CB THR B 62 -3.420 17.308 -5.765 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.606 17.710 -5.094 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.946 18.426 -6.689 1.00 11.61 C ATOM 0 H THR B 62 -5.608 16.361 -7.448 1.00 12.22 H new ATOM 0 HA THR B 62 -2.749 15.688 -6.965 1.00 14.26 H new ATOM 0 HB THR B 62 -2.646 17.093 -5.028 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.424 18.511 -4.560 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.742 19.321 -6.102 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.037 18.113 -7.202 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.721 18.643 -7.424 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.812 13.907 -5.548 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.499 12.874 -4.750 1.00 15.17 C ATOM 2354 C VAL B 63 -4.897 13.473 -3.410 1.00 14.24 C ATOM 2355 O VAL B 63 -4.489 14.561 -3.056 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.597 11.667 -4.544 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.463 10.473 -4.157 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.854 11.358 -5.848 1.00 18.64 C ATOM 0 H VAL B 63 -2.888 13.657 -5.900 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.390 12.538 -5.281 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.871 11.872 -3.757 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.830 9.598 -4.006 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -5.000 10.696 -3.235 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.179 10.269 -4.953 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.207 10.493 -5.702 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.576 11.142 -6.636 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.250 12.219 -6.135 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.700 12.780 -2.669 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.139 13.314 -1.356 1.00 10.78 C ATOM 2370 C HIS B 64 -5.879 12.259 -0.280 1.00 14.19 C ATOM 2371 O HIS B 64 -6.329 11.128 -0.382 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.631 13.647 -1.423 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.972 14.697 -0.402 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.348 14.759 0.834 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.895 15.713 -0.408 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.906 15.771 1.520 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.854 16.389 0.809 1.00 20.65 N ATOM 0 H HIS B 64 -6.075 11.863 -2.914 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.585 14.220 -1.111 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.888 14.002 -2.421 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.221 12.748 -1.243 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.553 15.952 -1.231 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.623 16.051 2.524 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.425 17.184 1.096 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.144 12.621 0.744 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.825 11.659 1.835 1.00 14.44 C ATOM 2387 C LEU B 65 -6.108 11.257 2.567 1.00 12.66 C ATOM 2388 O LEU B 65 -6.100 10.380 3.407 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.791 12.319 2.781 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.318 12.514 4.214 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.398 11.792 5.196 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -4.343 14.010 4.543 1.00 19.03 C ATOM 0 H LEU B 65 -4.749 13.553 0.868 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.390 10.744 1.432 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -2.892 11.704 2.812 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.501 13.287 2.373 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.325 12.105 4.293 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.770 11.929 6.211 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -3.375 10.728 4.959 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -2.391 12.202 5.120 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.716 14.153 5.557 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -3.334 14.416 4.466 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -4.997 14.526 3.840 1.00 19.03 H new ATOM 2404 N SER B 66 -7.211 11.878 2.255 1.00 13.51 N ATOM 2405 CA SER B 66 -8.478 11.510 2.934 1.00 10.39 C ATOM 2406 C SER B 66 -8.692 10.002 2.785 1.00 8.56 C ATOM 2407 O SER B 66 -9.499 9.407 3.472 1.00 11.70 O ATOM 2408 CB SER B 66 -9.642 12.255 2.280 1.00 12.88 C ATOM 2409 OG SER B 66 -10.049 11.556 1.111 1.00 14.72 O ATOM 0 H SER B 66 -7.287 12.622 1.561 1.00 13.51 H new ATOM 0 HA SER B 66 -8.427 11.779 3.989 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.475 12.336 2.978 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.341 13.271 2.024 1.00 12.88 H new ATOM 0 HG SER B 66 -10.796 12.030 0.690 1.00 14.72 H new ATOM 2415 N SER B 67 -7.983 9.385 1.875 1.00 7.98 N ATOM 2416 CA SER B 67 -8.151 7.921 1.658 1.00 8.20 C ATOM 2417 C SER B 67 -7.040 7.129 2.363 1.00 11.02 C ATOM 2418 O SER B 67 -7.054 5.914 2.369 1.00 11.45 O ATOM 2419 CB SER B 67 -8.097 7.625 0.162 1.00 8.01 C ATOM 2420 OG SER B 67 -9.127 8.352 -0.497 1.00 11.22 O ATOM 0 H SER B 67 -7.294 9.835 1.273 1.00 7.98 H new ATOM 0 HA SER B 67 -9.113 7.619 2.073 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.124 7.904 -0.241 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.220 6.556 -0.014 1.00 8.01 H new ATOM 0 HG SER B 67 -9.640 7.745 -1.070 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.071 7.787 2.943 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.972 7.033 3.618 1.00 11.79 C ATOM 2428 C PHE B 68 -5.424 6.597 5.012 1.00 12.69 C ATOM 2429 O PHE B 68 -6.317 7.176 5.598 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.726 7.918 3.738 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.382 8.525 2.394 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.056 8.119 1.231 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.404 9.521 2.321 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.747 8.710 0.003 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.099 10.114 1.092 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.771 9.708 -0.066 1.00 11.87 C ATOM 0 H PHE B 68 -5.992 8.803 2.979 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.730 6.152 3.023 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.902 8.709 4.468 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.886 7.328 4.104 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.813 7.350 1.286 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.884 9.833 3.215 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.262 8.396 -0.893 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.345 10.885 1.037 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.535 10.167 -1.015 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.810 5.576 5.547 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.198 5.096 6.903 1.00 15.38 C ATOM 2448 C LYS B 69 -3.949 4.658 7.671 1.00 15.02 C ATOM 2449 O LYS B 69 -2.867 4.577 7.125 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.155 3.910 6.776 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.671 2.977 5.665 1.00 20.35 C ATOM 2452 CD LYS B 69 -6.033 1.534 6.019 1.00 21.35 C ATOM 2453 CE LYS B 69 -5.045 0.580 5.346 1.00 30.24 C ATOM 2454 NZ LYS B 69 -5.409 -0.827 5.678 1.00 32.70 N ATOM 0 H LYS B 69 -4.055 5.053 5.102 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.691 5.906 7.441 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.208 3.370 7.721 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.162 4.264 6.554 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.129 3.256 4.716 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.593 3.072 5.539 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -6.009 1.397 7.100 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.049 1.312 5.692 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -5.060 0.726 4.266 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -4.030 0.794 5.682 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -4.738 -1.476 5.221 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -5.373 -0.961 6.709 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -6.371 -1.027 5.336 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.095 4.368 8.935 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.921 3.927 9.744 1.00 13.49 C ATOM 2470 C VAL B 70 -3.247 2.590 10.411 1.00 11.85 C ATOM 2471 O VAL B 70 -4.096 2.508 11.276 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.599 4.964 10.823 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.083 5.052 11.012 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.144 6.336 10.413 1.00 15.63 C ATOM 0 H VAL B 70 -4.978 4.417 9.444 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.057 3.819 9.088 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.067 4.660 11.759 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.854 5.791 11.780 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.697 4.079 11.317 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.616 5.349 10.073 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.910 7.067 11.187 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.686 6.644 9.473 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.225 6.275 10.287 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.582 1.542 10.014 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.857 0.209 10.623 1.00 11.07 C ATOM 2486 C GLY B 71 -2.310 0.175 12.051 1.00 12.15 C ATOM 2487 O GLY B 71 -1.852 1.171 12.573 1.00 12.70 O ATOM 0 H GLY B 71 -1.860 1.550 9.294 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.930 0.015 10.629 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.394 -0.577 10.027 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.353 -0.964 12.688 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.835 -1.058 14.079 1.00 19.42 C ATOM 2493 C GLN B 72 -0.347 -1.407 14.047 1.00 16.97 C ATOM 2494 O GLN B 72 0.156 -2.110 14.900 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.603 -2.141 14.839 1.00 22.64 C ATOM 2496 CG GLN B 72 -3.969 -1.598 15.268 1.00 25.29 C ATOM 2497 CD GLN B 72 -4.628 -0.876 14.090 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -5.454 -1.442 13.401 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -4.295 0.358 13.829 1.00 25.15 N ATOM 0 H GLN B 72 -2.725 -1.832 12.303 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.970 -0.101 14.583 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.732 -3.020 14.208 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.035 -2.457 15.714 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -4.605 -2.415 15.609 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -3.852 -0.913 16.108 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -3.602 0.832 14.408 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -4.728 0.848 13.046 1.00 25.15 H new ATOM 2508 N PHE B 73 0.359 -0.917 13.067 1.00 14.56 N ATOM 2509 CA PHE B 73 1.816 -1.213 12.975 1.00 14.60 C ATOM 2510 C PHE B 73 2.581 0.080 12.680 1.00 15.63 C ATOM 2511 O PHE B 73 3.667 0.058 12.134 1.00 17.80 O ATOM 2512 CB PHE B 73 2.064 -2.219 11.848 1.00 12.63 C ATOM 2513 CG PHE B 73 1.098 -3.373 11.976 1.00 14.99 C ATOM 2514 CD1 PHE B 73 1.437 -4.487 12.752 1.00 16.27 C ATOM 2515 CD2 PHE B 73 -0.136 -3.329 11.315 1.00 19.79 C ATOM 2516 CE1 PHE B 73 0.542 -5.557 12.869 1.00 20.44 C ATOM 2517 CE2 PHE B 73 -1.031 -4.400 11.432 1.00 18.68 C ATOM 2518 CZ PHE B 73 -0.692 -5.514 12.209 1.00 17.88 C ATOM 0 H PHE B 73 -0.010 -0.323 12.324 1.00 14.56 H new ATOM 0 HA PHE B 73 2.161 -1.634 13.920 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.940 -1.734 10.880 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.090 -2.584 11.892 1.00 12.63 H new ATOM 0 HD1 PHE B 73 2.389 -4.521 13.261 1.00 16.27 H new ATOM 0 HD2 PHE B 73 -0.397 -2.470 10.715 1.00 19.79 H new ATOM 0 HE1 PHE B 73 0.804 -6.416 13.469 1.00 20.44 H new ATOM 0 HE2 PHE B 73 -1.983 -4.366 10.923 1.00 18.68 H new ATOM 0 HZ PHE B 73 -1.382 -6.340 12.299 1.00 17.88 H new ATOM 2528 N GLY B 74 2.026 1.206 13.037 1.00 13.82 N ATOM 2529 CA GLY B 74 2.724 2.497 12.777 1.00 13.44 C ATOM 2530 C GLY B 74 3.147 2.565 11.309 1.00 10.42 C ATOM 2531 O GLY B 74 4.309 2.735 10.996 1.00 13.62 O ATOM 0 H GLY B 74 1.120 1.288 13.497 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.066 3.332 13.015 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.598 2.586 13.422 1.00 13.44 H new ATOM 2535 N SER B 75 2.216 2.434 10.404 1.00 12.64 N ATOM 2536 CA SER B 75 2.573 2.493 8.959 1.00 12.47 C ATOM 2537 C SER B 75 1.404 3.076 8.162 1.00 12.47 C ATOM 2538 O SER B 75 0.407 2.420 7.934 1.00 11.32 O ATOM 2539 CB SER B 75 2.881 1.083 8.452 1.00 11.21 C ATOM 2540 OG SER B 75 3.647 0.391 9.428 1.00 18.27 O ATOM 0 H SER B 75 1.226 2.289 10.602 1.00 12.64 H new ATOM 0 HA SER B 75 3.450 3.127 8.830 1.00 12.47 H new ATOM 0 HB2 SER B 75 1.954 0.545 8.252 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.429 1.134 7.511 1.00 11.21 H new ATOM 0 HG SER B 75 3.845 -0.514 9.107 1.00 18.27 H new ATOM 2546 N LEU B 76 1.521 4.303 7.734 1.00 12.43 N ATOM 2547 CA LEU B 76 0.419 4.926 6.949 1.00 12.18 C ATOM 2548 C LEU B 76 0.353 4.274 5.567 1.00 12.07 C ATOM 2549 O LEU B 76 1.357 3.879 5.009 1.00 9.82 O ATOM 2550 CB LEU B 76 0.689 6.423 6.794 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.297 7.019 5.789 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.502 8.503 6.096 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.264 6.861 4.373 1.00 7.80 C ATOM 0 H LEU B 76 2.332 4.901 7.894 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.529 4.780 7.468 1.00 12.18 H new ATOM 0 HB2 LEU B 76 0.589 6.923 7.757 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.712 6.585 6.455 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.252 6.499 5.862 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.205 8.929 5.380 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.899 8.614 7.105 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.452 9.025 6.022 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.437 7.285 3.654 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.219 7.382 4.300 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.411 5.803 4.156 1.00 7.80 H new ATOM 2565 N MET B 77 -0.822 4.153 5.010 1.00 14.08 N ATOM 2566 CA MET B 77 -0.947 3.521 3.665 1.00 14.12 C ATOM 2567 C MET B 77 -2.246 3.983 3.002 1.00 11.37 C ATOM 2568 O MET B 77 -3.252 4.177 3.654 1.00 11.44 O ATOM 2569 CB MET B 77 -0.971 1.996 3.812 1.00 16.48 C ATOM 2570 CG MET B 77 -0.111 1.576 5.005 1.00 24.75 C ATOM 2571 SD MET B 77 -0.265 -0.208 5.262 1.00 35.11 S ATOM 2572 CE MET B 77 -1.314 -0.134 6.735 1.00 33.86 C ATOM 0 H MET B 77 -1.699 4.464 5.427 1.00 14.08 H new ATOM 0 HA MET B 77 -0.096 3.815 3.050 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.996 1.651 3.951 1.00 16.48 H new ATOM 0 HB3 MET B 77 -0.598 1.528 2.901 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.931 1.840 4.826 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.426 2.112 5.900 1.00 24.75 H new ATOM 0 HE1 MET B 77 -1.917 -1.040 6.798 1.00 33.86 H new ATOM 0 HE2 MET B 77 -0.688 -0.052 7.624 1.00 33.86 H new ATOM 0 HE3 MET B 77 -1.970 0.734 6.671 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.233 4.156 1.709 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.471 4.601 1.007 1.00 11.62 C ATOM 2584 C ILE B 78 -4.501 3.470 1.018 1.00 11.45 C ATOM 2585 O ILE B 78 -4.173 2.312 0.852 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.156 4.945 -0.448 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.310 6.218 -0.517 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.464 5.156 -1.218 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.946 5.890 -1.126 1.00 13.67 C ATOM 0 H ILE B 78 -1.421 4.009 1.109 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.863 5.479 1.520 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.597 4.123 -0.895 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.817 6.972 -1.119 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.183 6.638 0.481 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.240 5.401 -2.256 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.059 4.243 -1.181 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.025 5.973 -0.765 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.342 6.796 -1.176 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.439 5.150 -0.506 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.083 5.490 -2.131 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.746 3.806 1.178 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.814 2.767 1.164 1.00 14.79 C ATOM 2603 C ASP B 79 -7.587 2.911 -0.145 1.00 15.20 C ATOM 2604 O ASP B 79 -7.986 1.946 -0.766 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.758 2.975 2.350 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.138 1.618 2.943 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.265 0.771 3.042 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.296 1.448 3.289 1.00 21.87 O ATOM 0 H ASP B 79 -6.075 4.761 1.319 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.378 1.771 1.242 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.276 3.593 3.108 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.653 3.506 2.027 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.767 4.126 -0.568 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.478 4.405 -1.842 1.00 17.14 C ATOM 2615 C ARG B 80 -8.251 5.873 -2.179 1.00 14.98 C ATOM 2616 O ARG B 80 -9.149 6.689 -2.129 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.974 4.120 -1.690 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.695 4.461 -2.995 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.477 3.239 -3.481 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.937 3.534 -3.437 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.781 2.763 -4.070 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.350 1.731 -4.744 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -15.058 3.026 -4.029 1.00 35.04 N ATOM 0 H ARG B 80 -7.444 4.957 -0.073 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.099 3.766 -2.639 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.131 3.071 -1.439 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.386 4.709 -0.870 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.372 5.301 -2.840 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.973 4.769 -3.752 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.177 2.983 -4.497 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.250 2.376 -2.855 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.278 4.339 -2.912 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.352 1.525 -4.778 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -14.012 1.131 -5.237 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.396 3.832 -3.504 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.718 2.425 -4.522 1.00 35.04 H new ATOM 2637 N LEU B 81 -7.028 6.191 -2.488 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.624 7.588 -2.810 1.00 11.27 C ATOM 2639 C LEU B 81 -7.797 8.397 -3.386 1.00 15.61 C ATOM 2640 O LEU B 81 -8.335 8.082 -4.428 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.445 7.528 -3.789 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.922 7.688 -5.230 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.704 7.780 -6.153 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.765 6.467 -5.617 1.00 18.72 C ATOM 0 H LEU B 81 -6.264 5.517 -2.532 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.320 8.103 -1.899 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.729 8.314 -3.550 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.924 6.577 -3.678 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.523 8.593 -5.326 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -5.037 7.894 -7.185 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.097 8.640 -5.870 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.109 6.871 -6.062 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -7.110 6.574 -6.646 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.160 5.565 -5.529 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.625 6.393 -4.952 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.187 9.450 -2.715 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.306 10.286 -3.233 1.00 12.72 C ATOM 2658 C ARG B 82 -8.707 11.401 -4.090 1.00 13.33 C ATOM 2659 O ARG B 82 -8.122 12.337 -3.587 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.090 10.887 -2.063 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.074 11.935 -2.590 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.211 11.238 -3.340 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.383 12.153 -3.428 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.353 11.898 -4.265 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.301 10.839 -5.028 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.378 12.703 -4.339 1.00 16.89 N ATOM 0 H ARG B 82 -7.780 9.765 -1.834 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.988 9.680 -3.829 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -10.628 10.102 -1.531 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.405 11.343 -1.349 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.475 12.521 -1.763 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -10.560 12.631 -3.253 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.882 10.955 -4.340 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.491 10.319 -2.825 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.428 12.981 -2.833 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.501 10.208 -4.971 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.060 10.643 -5.680 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.421 13.530 -3.744 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.136 12.505 -4.992 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.816 11.287 -5.382 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.216 12.321 -6.275 1.00 13.86 C ATOM 2682 C LEU B 83 -9.014 13.624 -6.240 1.00 13.02 C ATOM 2683 O LEU B 83 -10.210 13.641 -6.030 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.177 11.803 -7.713 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.739 11.833 -8.231 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.734 11.535 -9.732 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.145 13.220 -7.983 1.00 10.58 C ATOM 0 H LEU B 83 -9.294 10.524 -5.861 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.207 12.522 -5.917 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.568 10.786 -7.755 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.816 12.416 -8.348 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.144 11.082 -7.711 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.710 11.556 -10.104 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.164 10.549 -9.909 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.325 12.287 -10.254 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.119 13.247 -8.350 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.738 13.969 -8.507 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.153 13.434 -6.914 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.336 14.717 -6.458 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.993 16.042 -6.466 1.00 12.86 C ATOM 2701 C VAL B 84 -8.183 16.960 -7.390 1.00 14.98 C ATOM 2702 O VAL B 84 -7.003 16.748 -7.574 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.987 16.597 -5.044 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.778 15.663 -4.127 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.543 16.703 -4.546 1.00 17.34 C ATOM 0 H VAL B 84 -7.332 14.741 -6.634 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.022 15.972 -6.819 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.448 17.585 -5.037 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.773 16.060 -3.112 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.806 15.588 -4.483 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.320 14.674 -4.132 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.536 17.099 -3.531 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.082 15.715 -4.553 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.981 17.370 -5.199 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.826 17.956 -7.937 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.164 18.919 -8.835 1.00 22.41 C ATOM 2717 C PRO B 85 -7.066 19.691 -8.091 1.00 25.70 C ATOM 2718 O PRO B 85 -7.174 19.962 -6.911 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.304 19.819 -9.314 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.435 19.642 -8.290 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.250 18.232 -7.705 1.00 20.63 C ATOM 0 HA PRO B 85 -7.650 18.449 -9.673 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.984 20.860 -9.368 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.633 19.535 -10.313 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.378 20.400 -7.509 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.411 19.744 -8.764 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.499 18.200 -6.644 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.888 17.502 -8.204 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.998 20.029 -8.771 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.879 20.762 -8.108 1.00 39.94 C ATOM 2731 C ALA B 86 -5.278 22.224 -7.899 1.00 46.96 C ATOM 2732 O ALA B 86 -5.595 22.931 -8.836 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.632 20.693 -8.996 1.00 39.70 C ATOM 0 H ALA B 86 -5.854 19.827 -9.760 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.665 20.305 -7.142 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.813 21.227 -8.515 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.348 19.651 -9.144 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.847 21.151 -9.961 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.266 22.684 -6.679 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.646 24.100 -6.411 1.00 55.12 C ATOM 2741 C LYS B 87 -7.114 24.313 -6.785 1.00 55.82 C ATOM 2742 O LYS B 87 -7.733 23.365 -7.239 1.00 58.05 O ATOM 2743 CB LYS B 87 -4.766 25.033 -7.247 1.00 52.96 C ATOM 2744 CG LYS B 87 -4.828 26.449 -6.671 1.00 55.49 C ATOM 2745 CD LYS B 87 -4.177 26.466 -5.287 1.00 56.64 C ATOM 2746 CE LYS B 87 -3.746 27.893 -4.940 1.00 58.91 C ATOM 2747 NZ LYS B 87 -3.543 28.007 -3.468 1.00 58.16 N ATOM 2748 OXT LYS B 87 -7.594 25.421 -6.611 1.00 57.66 O ATOM 0 H LYS B 87 -5.009 22.140 -5.855 1.00 51.78 H new ATOM 0 HA LYS B 87 -5.504 24.320 -5.353 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -3.737 24.675 -7.248 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -5.103 25.036 -8.283 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -4.315 27.146 -7.334 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -5.864 26.780 -6.601 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -4.878 26.095 -4.540 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -3.314 25.801 -5.272 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -2.824 28.144 -5.465 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -4.504 28.603 -5.269 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -3.250 28.977 -3.232 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -4.432 27.785 -2.977 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -2.805 27.339 -3.167 1.00 58.16 H new TER 2762 LYS B 87