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 39 ASN : amide:sc= -15.6! C(o=-27!,f=-28!) USER MOD Set 1.2: B 41 HIS : no HE2:sc= -11.7! C(o=-27!,f=-26!) USER MOD Set 2.1: A 39 ASN : amide:sc= -15.7! C(o=-27!,f=-28!) USER MOD Set 2.2: A 41 HIS : no HE2:sc= -11.6! C(o=-27!,f=-26!) USER MOD Single : A 1 MET CE :methyl -143:sc= -0.456 (180deg=-0.842) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0899 (180deg=-0.25) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= -1.02 (180deg=-3.72!) USER MOD Single : A 9 SER OG : rot -46:sc= 0.456 USER MOD Single : A 10 GLN : amide:sc= -3.2! C(o=-3.2!,f=-9.7!) USER MOD Single : A 12 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 14 THR OG1 : rot -13:sc= 0.748 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.098 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0866 USER MOD Single : A 20 SER OG : rot 180:sc= -0.107 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= 0.404 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00595 USER MOD Single : A 29 ASN : amide:sc= -1.94 X(o=-1.9,f=-1.5!) USER MOD Single : A 31 GLN : amide:sc= -11.7! C(o=-12!,f=-30!) USER MOD Single : A 33 CYS SG : rot 12:sc= -4.48! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -0.247 (180deg=-1.12) USER MOD Single : A 48 THR OG1 : rot 100:sc= -0.276 USER MOD Single : A 53 GLN : amide:sc= -3.64! C(o=-3.6!,f=-13!) USER MOD Single : A 56 TYR OH : rot -178:sc= 1.23 USER MOD Single : A 61 TYR OH : rot 6:sc= 0.137 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 64 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-4.1!) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00071 USER MOD Single : A 67 SER OG : rot -109:sc= 0.87 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -3.2! C(o=-3.2!,f=-0.93!) USER MOD Single : A 75 SER OG : rot 48:sc= 0.158 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -139:sc= -0.451 (180deg=-0.823) USER MOD Single : B 1 MET N :NH3+ -126:sc= 0.0811 (180deg=-0.171) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 137:sc= -0.992 (180deg=-3.67!) USER MOD Single : B 9 SER OG : rot -35:sc= 0.436 USER MOD Single : B 10 GLN : amide:sc= -3.19! C(o=-3.2!,f=-9.5!) USER MOD Single : B 12 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : B 14 THR OG1 : rot -16:sc= 0.891 USER MOD Single : B 15 THR OG1 : rot 91:sc= 0.0865 USER MOD Single : B 17 SER OG : rot 180:sc= 0.0669 USER MOD Single : B 20 SER OG : rot 180:sc= -0.111 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= 0.406 USER MOD Single : B 27 SER OG : rot 180:sc= 0.00671 USER MOD Single : B 29 ASN : amide:sc= -2 X(o=-2,f=-1.6!) USER MOD Single : B 31 GLN : amide:sc= -11.5! C(o=-11!,f=-30!) USER MOD Single : B 33 CYS SG : rot 12:sc= -4.6! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -102:sc= -0.235 (180deg=-1.17) USER MOD Single : B 48 THR OG1 : rot 100:sc= -0.283 USER MOD Single : B 53 GLN : amide:sc= -3.52! C(o=-3.5!,f=-13!) USER MOD Single : B 56 TYR OH : rot 160:sc= 1.28 USER MOD Single : B 61 TYR OH : rot 4:sc= 0.0979 USER MOD Single : B 62 THR OG1 : rot -100:sc= -1.53 USER MOD Single : B 64 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-4.2!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -85:sc= 0.771 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -3.28! C(o=-3.3!,f=-0.87!) USER MOD Single : B 75 SER OG : rot 48:sc= 0.194 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.893 18.898 4.434 1.00 42.32 N ATOM 2 CA MET A 1 -2.094 17.774 3.870 1.00 40.89 C ATOM 3 C MET A 1 -2.095 16.604 4.854 1.00 34.75 C ATOM 4 O MET A 1 -2.934 16.515 5.728 1.00 33.97 O ATOM 5 CB MET A 1 -0.650 18.238 3.635 1.00 48.45 C ATOM 6 CG MET A 1 0.087 18.344 4.976 1.00 56.13 C ATOM 7 SD MET A 1 0.786 20.005 5.145 1.00 64.91 S ATOM 8 CE MET A 1 -0.215 20.531 6.557 1.00 63.43 C ATOM 0 H1 MET A 1 -3.611 19.195 3.742 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.362 18.586 5.308 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.264 19.699 4.646 1.00 42.32 H new ATOM 0 HA MET A 1 -2.534 17.457 2.924 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.134 17.535 2.981 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.646 19.204 3.130 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.599 18.140 5.798 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.879 17.597 5.029 1.00 56.13 H new ATOM 0 HE1 MET A 1 -0.469 21.586 6.450 1.00 63.43 H new ATOM 0 HE2 MET A 1 -1.130 19.940 6.595 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.350 20.385 7.478 1.00 63.43 H new ATOM 20 N ILE A 2 -1.149 15.715 4.728 1.00 28.59 N ATOM 21 CA ILE A 2 -1.086 14.560 5.670 1.00 24.58 C ATOM 22 C ILE A 2 -0.381 15.021 6.937 1.00 19.29 C ATOM 23 O ILE A 2 0.806 14.837 7.105 1.00 19.53 O ATOM 24 CB ILE A 2 -0.315 13.393 5.050 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.181 13.592 3.530 1.00 28.92 C ATOM 26 CG2 ILE A 2 -1.074 12.098 5.342 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.142 12.260 2.852 1.00 33.80 C ATOM 0 H ILE A 2 -0.419 15.737 4.016 1.00 28.59 H new ATOM 0 HA ILE A 2 -2.096 14.217 5.893 1.00 24.58 H new ATOM 0 HB ILE A 2 0.686 13.343 5.479 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.108 13.999 3.126 1.00 28.92 H new ATOM 0 HG13 ILE A 2 0.605 14.317 3.318 1.00 28.92 H new ATOM 0 HG21 ILE A 2 -0.537 11.255 4.906 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -1.155 11.959 6.420 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -2.072 12.156 4.908 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.235 12.412 1.777 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.081 11.870 3.245 1.00 33.80 H new ATOM 0 HD13 ILE A 2 -0.659 11.547 3.050 1.00 33.80 H new ATOM 39 N LYS A 3 -1.104 15.646 7.814 1.00 18.14 N ATOM 40 CA LYS A 3 -0.484 16.165 9.061 1.00 16.66 C ATOM 41 C LYS A 3 -0.037 15.028 9.974 1.00 14.94 C ATOM 42 O LYS A 3 -0.444 13.892 9.837 1.00 13.94 O ATOM 43 CB LYS A 3 -1.494 17.041 9.805 1.00 16.94 C ATOM 44 CG LYS A 3 -1.522 18.438 9.182 1.00 17.85 C ATOM 45 CD LYS A 3 -2.448 19.341 9.999 1.00 19.63 C ATOM 46 CE LYS A 3 -1.918 20.776 9.974 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.540 21.555 11.082 1.00 32.72 N ATOM 0 H LYS A 3 -2.105 15.822 7.722 1.00 18.14 H new ATOM 0 HA LYS A 3 0.394 16.750 8.786 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.486 16.591 9.757 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.225 17.108 10.859 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.516 18.857 9.157 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.869 18.381 8.150 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -3.458 19.308 9.590 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.508 18.983 11.027 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.833 20.776 10.079 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -2.145 21.242 9.015 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.180 22.531 11.065 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -3.573 21.565 10.962 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.302 21.114 11.993 1.00 32.72 H new ATOM 61 N VAL A 4 0.801 15.355 10.916 1.00 12.42 N ATOM 62 CA VAL A 4 1.308 14.344 11.880 1.00 12.99 C ATOM 63 C VAL A 4 2.151 15.061 12.933 1.00 14.26 C ATOM 64 O VAL A 4 2.511 16.211 12.783 1.00 13.80 O ATOM 65 CB VAL A 4 2.159 13.297 11.141 1.00 12.94 C ATOM 66 CG1 VAL A 4 2.938 13.988 10.030 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.143 12.622 12.109 1.00 10.41 C ATOM 0 H VAL A 4 1.162 16.298 11.060 1.00 12.42 H new ATOM 0 HA VAL A 4 0.474 13.832 12.360 1.00 12.99 H new ATOM 0 HB VAL A 4 1.502 12.534 10.723 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.545 13.254 9.500 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.242 14.454 9.333 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.586 14.751 10.461 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.737 11.884 11.569 1.00 10.41 H new ATOM 0 HG22 VAL A 4 3.804 13.374 12.540 1.00 10.41 H new ATOM 0 HG23 VAL A 4 2.588 12.128 12.906 1.00 10.41 H new ATOM 77 N GLU A 5 2.464 14.386 13.995 1.00 9.27 N ATOM 78 CA GLU A 5 3.281 15.012 15.067 1.00 10.51 C ATOM 79 C GLU A 5 4.273 13.996 15.601 1.00 10.00 C ATOM 80 O GLU A 5 3.918 13.029 16.242 1.00 10.96 O ATOM 81 CB GLU A 5 2.369 15.481 16.200 1.00 10.42 C ATOM 82 CG GLU A 5 1.771 16.837 15.833 1.00 18.68 C ATOM 83 CD GLU A 5 0.789 17.278 16.920 1.00 18.63 C ATOM 84 OE1 GLU A 5 -0.248 16.647 17.045 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.090 18.238 17.609 1.00 19.38 O ATOM 0 H GLU A 5 2.188 13.420 14.170 1.00 9.27 H new ATOM 0 HA GLU A 5 3.819 15.868 14.661 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.575 14.754 16.369 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.933 15.558 17.129 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.564 17.577 15.723 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.260 16.772 14.872 1.00 18.68 H new ATOM 92 N ILE A 6 5.521 14.211 15.342 1.00 9.86 N ATOM 93 CA ILE A 6 6.546 13.265 15.842 1.00 10.60 C ATOM 94 C ILE A 6 6.704 13.481 17.354 1.00 10.16 C ATOM 95 O ILE A 6 7.499 14.289 17.791 1.00 11.64 O ATOM 96 CB ILE A 6 7.864 13.539 15.112 1.00 9.14 C ATOM 97 CG1 ILE A 6 7.684 13.228 13.617 1.00 14.23 C ATOM 98 CG2 ILE A 6 8.973 12.672 15.704 1.00 12.29 C ATOM 99 CD1 ILE A 6 7.852 11.727 13.348 1.00 13.81 C ATOM 0 H ILE A 6 5.880 15.001 14.805 1.00 9.86 H new ATOM 0 HA ILE A 6 6.253 12.231 15.658 1.00 10.60 H new ATOM 0 HB ILE A 6 8.142 14.586 15.231 1.00 9.14 H new ATOM 0 HG12 ILE A 6 6.696 13.552 13.290 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.413 13.790 13.034 1.00 14.23 H new ATOM 0 HG21 ILE A 6 9.909 12.871 15.181 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.092 12.906 16.762 1.00 12.29 H new ATOM 0 HG23 ILE A 6 8.711 11.620 15.592 1.00 12.29 H new ATOM 0 HD11 ILE A 6 7.720 11.531 12.284 1.00 13.81 H new ATOM 0 HD12 ILE A 6 8.849 11.412 13.654 1.00 13.81 H new ATOM 0 HD13 ILE A 6 7.106 11.170 13.914 1.00 13.81 H new ATOM 111 N LYS A 7 5.938 12.775 18.158 1.00 11.63 N ATOM 112 CA LYS A 7 6.031 12.953 19.634 1.00 11.59 C ATOM 113 C LYS A 7 7.497 13.068 20.046 1.00 12.98 C ATOM 114 O LYS A 7 8.378 12.679 19.304 1.00 9.79 O ATOM 115 CB LYS A 7 5.392 11.739 20.314 1.00 12.52 C ATOM 116 CG LYS A 7 3.949 11.598 19.846 1.00 14.26 C ATOM 117 CD LYS A 7 3.002 12.096 20.940 1.00 15.70 C ATOM 118 CE LYS A 7 3.021 13.625 20.983 1.00 19.19 C ATOM 119 NZ LYS A 7 3.525 14.078 22.311 1.00 25.43 N ATOM 0 H LYS A 7 5.254 12.084 17.849 1.00 11.63 H new ATOM 0 HA LYS A 7 5.510 13.862 19.935 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.954 10.836 20.074 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.425 11.856 21.397 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.796 12.170 18.931 1.00 14.26 H new ATOM 0 HG3 LYS A 7 3.733 10.556 19.611 1.00 14.26 H new ATOM 0 HD2 LYS A 7 1.990 11.741 20.747 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.303 11.692 21.906 1.00 15.70 H new ATOM 0 HE2 LYS A 7 3.658 14.014 20.188 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.019 14.017 20.809 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 4.125 14.918 22.186 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.720 14.315 22.925 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.082 13.317 22.749 1.00 25.43 H new ATOM 133 N PRO A 8 7.720 13.586 21.227 1.00 13.56 N ATOM 134 CA PRO A 8 9.077 13.745 21.764 1.00 11.93 C ATOM 135 C PRO A 8 9.627 12.374 22.146 1.00 10.20 C ATOM 136 O PRO A 8 10.807 12.205 22.381 1.00 12.05 O ATOM 137 CB PRO A 8 8.888 14.655 22.981 1.00 12.78 C ATOM 138 CG PRO A 8 7.404 14.525 23.392 1.00 12.51 C ATOM 139 CD PRO A 8 6.649 14.046 22.138 1.00 13.61 C ATOM 0 HA PRO A 8 9.790 14.173 21.059 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.545 14.355 23.797 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.135 15.688 22.736 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.288 13.815 24.211 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.012 15.480 23.741 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.953 13.241 22.375 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.065 14.851 21.692 1.00 13.61 H new ATOM 147 N SER A 9 8.775 11.386 22.179 1.00 10.65 N ATOM 148 CA SER A 9 9.240 10.014 22.509 1.00 10.83 C ATOM 149 C SER A 9 9.441 9.237 21.204 1.00 10.94 C ATOM 150 O SER A 9 9.695 8.049 21.209 1.00 13.16 O ATOM 151 CB SER A 9 8.191 9.308 23.371 1.00 13.01 C ATOM 152 OG SER A 9 8.727 8.083 23.853 1.00 15.52 O ATOM 0 H SER A 9 7.776 11.472 21.991 1.00 10.65 H new ATOM 0 HA SER A 9 10.178 10.063 23.061 1.00 10.83 H new ATOM 0 HB2 SER A 9 7.901 9.945 24.206 1.00 13.01 H new ATOM 0 HB3 SER A 9 7.290 9.119 22.787 1.00 13.01 H new ATOM 0 HG SER A 9 9.167 7.607 23.118 1.00 15.52 H new ATOM 158 N GLN A 10 9.323 9.904 20.082 1.00 10.02 N ATOM 159 CA GLN A 10 9.501 9.212 18.777 1.00 11.55 C ATOM 160 C GLN A 10 10.514 9.980 17.925 1.00 13.72 C ATOM 161 O GLN A 10 10.632 9.756 16.737 1.00 17.31 O ATOM 162 CB GLN A 10 8.165 9.171 18.042 1.00 6.60 C ATOM 163 CG GLN A 10 7.049 8.879 19.041 1.00 7.20 C ATOM 164 CD GLN A 10 7.089 7.403 19.441 1.00 10.36 C ATOM 165 OE1 GLN A 10 7.962 6.670 19.021 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.174 6.932 20.244 1.00 4.80 N ATOM 0 H GLN A 10 9.111 10.900 20.018 1.00 10.02 H new ATOM 0 HA GLN A 10 9.861 8.198 18.951 1.00 11.55 H new ATOM 0 HB2 GLN A 10 7.982 10.123 17.543 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.186 8.404 17.268 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.164 9.508 19.924 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.081 9.121 18.601 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.440 7.546 20.597 1.00 4.80 H new ATOM 0 HE22 GLN A 10 6.193 5.950 20.518 1.00 4.80 H new ATOM 175 N ALA A 11 11.235 10.894 18.516 1.00 15.28 N ATOM 176 CA ALA A 11 12.224 11.685 17.729 1.00 18.95 C ATOM 177 C ALA A 11 13.573 10.964 17.694 1.00 20.75 C ATOM 178 O ALA A 11 14.614 11.585 17.612 1.00 24.78 O ATOM 179 CB ALA A 11 12.401 13.061 18.371 1.00 17.72 C ATOM 0 H ALA A 11 11.182 11.127 19.508 1.00 15.28 H new ATOM 0 HA ALA A 11 11.856 11.797 16.709 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.124 13.640 17.797 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.444 13.583 18.382 1.00 17.72 H new ATOM 0 HB3 ALA A 11 12.761 12.942 19.393 1.00 17.72 H new ATOM 185 N GLN A 12 13.567 9.662 17.748 1.00 22.50 N ATOM 186 CA GLN A 12 14.851 8.914 17.708 1.00 25.43 C ATOM 187 C GLN A 12 14.663 7.613 16.938 1.00 22.80 C ATOM 188 O GLN A 12 13.841 6.786 17.281 1.00 20.93 O ATOM 189 CB GLN A 12 15.308 8.610 19.127 1.00 30.18 C ATOM 190 CG GLN A 12 16.132 9.788 19.624 1.00 42.11 C ATOM 191 CD GLN A 12 16.454 9.607 21.108 1.00 46.61 C ATOM 192 OE1 GLN A 12 16.448 10.559 21.864 1.00 46.27 O ATOM 193 NE2 GLN A 12 16.738 8.417 21.561 1.00 47.90 N ATOM 0 H GLN A 12 12.729 9.085 17.818 1.00 22.50 H new ATOM 0 HA GLN A 12 15.607 9.520 17.208 1.00 25.43 H new ATOM 0 HB2 GLN A 12 14.448 8.447 19.776 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.901 7.696 19.148 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.055 9.866 19.049 1.00 42.11 H new ATOM 0 HG3 GLN A 12 15.583 10.717 19.473 1.00 42.11 H new ATOM 0 HE21 GLN A 12 16.743 7.618 20.927 1.00 47.90 H new ATOM 0 HE22 GLN A 12 16.955 8.286 22.549 1.00 47.90 H new ATOM 202 N PHE A 13 15.416 7.429 15.892 1.00 21.61 N ATOM 203 CA PHE A 13 15.278 6.187 15.093 1.00 20.51 C ATOM 204 C PHE A 13 15.973 5.020 15.796 1.00 18.83 C ATOM 205 O PHE A 13 16.503 5.155 16.881 1.00 18.83 O ATOM 206 CB PHE A 13 15.887 6.390 13.703 1.00 19.56 C ATOM 207 CG PHE A 13 17.315 6.897 13.801 1.00 19.62 C ATOM 208 CD1 PHE A 13 17.971 7.000 15.040 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.987 7.261 12.628 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.288 7.465 15.096 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.303 7.724 12.688 1.00 14.07 C ATOM 212 CZ PHE A 13 19.952 7.826 13.921 1.00 18.48 C ATOM 0 H PHE A 13 16.121 8.086 15.557 1.00 21.61 H new ATOM 0 HA PHE A 13 14.218 5.955 14.992 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.869 5.449 13.154 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.283 7.101 13.138 1.00 19.56 H new ATOM 0 HD1 PHE A 13 17.458 6.720 15.948 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.486 7.183 11.674 1.00 15.55 H new ATOM 0 HE1 PHE A 13 19.792 7.545 16.048 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.819 8.003 11.781 1.00 14.07 H new ATOM 0 HZ PHE A 13 20.970 8.185 13.966 1.00 18.48 H new ATOM 222 N THR A 14 15.975 3.876 15.178 1.00 14.89 N ATOM 223 CA THR A 14 16.642 2.696 15.794 1.00 13.37 C ATOM 224 C THR A 14 17.004 1.700 14.697 1.00 11.97 C ATOM 225 O THR A 14 16.281 1.527 13.736 1.00 10.76 O ATOM 226 CB THR A 14 15.704 2.028 16.798 1.00 13.68 C ATOM 227 OG1 THR A 14 15.380 2.949 17.830 1.00 13.48 O ATOM 228 CG2 THR A 14 16.393 0.803 17.399 1.00 9.24 C ATOM 0 H THR A 14 15.543 3.705 14.270 1.00 14.89 H new ATOM 0 HA THR A 14 17.543 3.021 16.314 1.00 13.37 H new ATOM 0 HB THR A 14 14.790 1.717 16.293 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.986 3.718 17.784 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.725 0.325 18.116 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.638 0.097 16.605 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.308 1.112 17.905 1.00 9.24 H new ATOM 236 N THR A 15 18.118 1.044 14.832 1.00 13.20 N ATOM 237 CA THR A 15 18.534 0.062 13.795 1.00 12.54 C ATOM 238 C THR A 15 17.761 -1.243 13.986 1.00 14.34 C ATOM 239 O THR A 15 17.803 -1.854 15.036 1.00 17.35 O ATOM 240 CB THR A 15 20.035 -0.209 13.923 1.00 11.88 C ATOM 241 OG1 THR A 15 20.611 0.741 14.809 1.00 17.15 O ATOM 242 CG2 THR A 15 20.696 -0.095 12.549 1.00 8.30 C ATOM 0 H THR A 15 18.761 1.145 15.617 1.00 13.20 H new ATOM 0 HA THR A 15 18.321 0.467 12.806 1.00 12.54 H new ATOM 0 HB THR A 15 20.191 -1.214 14.315 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.572 0.568 14.894 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.765 -0.288 12.642 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.253 -0.824 11.871 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.542 0.909 12.153 1.00 8.30 H new ATOM 250 N ARG A 16 17.055 -1.676 12.978 1.00 15.28 N ATOM 251 CA ARG A 16 16.280 -2.942 13.099 1.00 15.21 C ATOM 252 C ARG A 16 16.532 -3.810 11.866 1.00 16.91 C ATOM 253 O ARG A 16 16.495 -3.339 10.746 1.00 17.29 O ATOM 254 CB ARG A 16 14.788 -2.619 13.198 1.00 15.77 C ATOM 255 CG ARG A 16 14.356 -2.637 14.665 1.00 21.61 C ATOM 256 CD ARG A 16 12.947 -3.222 14.776 1.00 24.15 C ATOM 257 NE ARG A 16 12.402 -2.953 16.137 1.00 30.82 N ATOM 258 CZ ARG A 16 11.124 -3.089 16.370 1.00 29.13 C ATOM 259 NH1 ARG A 16 10.317 -3.460 15.412 1.00 34.38 N ATOM 260 NH2 ARG A 16 10.651 -2.853 17.563 1.00 25.71 N ATOM 0 H ARG A 16 16.982 -1.207 12.075 1.00 15.28 H new ATOM 0 HA ARG A 16 16.595 -3.478 13.994 1.00 15.21 H new ATOM 0 HB2 ARG A 16 14.588 -1.641 12.761 1.00 15.77 H new ATOM 0 HB3 ARG A 16 14.209 -3.347 12.629 1.00 15.77 H new ATOM 0 HG2 ARG A 16 15.055 -3.231 15.254 1.00 21.61 H new ATOM 0 HG3 ARG A 16 14.375 -1.626 15.073 1.00 21.61 H new ATOM 0 HD2 ARG A 16 12.298 -2.781 14.019 1.00 24.15 H new ATOM 0 HD3 ARG A 16 12.972 -4.295 14.588 1.00 24.15 H new ATOM 0 HE ARG A 16 13.028 -2.662 16.888 1.00 30.82 H new ATOM 0 HH11 ARG A 16 10.684 -3.644 14.479 1.00 34.38 H new ATOM 0 HH12 ARG A 16 9.320 -3.565 15.598 1.00 34.38 H new ATOM 0 HH21 ARG A 16 11.279 -2.563 18.312 1.00 25.71 H new ATOM 0 HH22 ARG A 16 9.653 -2.959 17.746 1.00 25.71 H new ATOM 274 N SER A 17 16.789 -5.073 12.060 1.00 22.35 N ATOM 275 CA SER A 17 17.043 -5.965 10.894 1.00 28.62 C ATOM 276 C SER A 17 15.990 -5.703 9.816 1.00 31.32 C ATOM 277 O SER A 17 14.887 -6.210 9.872 1.00 33.90 O ATOM 278 CB SER A 17 16.963 -7.426 11.339 1.00 30.78 C ATOM 279 OG SER A 17 17.415 -7.534 12.682 1.00 38.77 O ATOM 0 H SER A 17 16.834 -5.526 12.973 1.00 22.35 H new ATOM 0 HA SER A 17 18.036 -5.763 10.492 1.00 28.62 H new ATOM 0 HB2 SER A 17 15.938 -7.787 11.258 1.00 30.78 H new ATOM 0 HB3 SER A 17 17.573 -8.051 10.687 1.00 30.78 H new ATOM 0 HG SER A 17 17.363 -8.469 12.970 1.00 38.77 H new ATOM 285 N GLY A 18 16.325 -4.913 8.836 1.00 32.28 N ATOM 286 CA GLY A 18 15.352 -4.610 7.748 1.00 32.82 C ATOM 287 C GLY A 18 15.689 -5.445 6.512 1.00 34.58 C ATOM 288 O GLY A 18 16.745 -6.038 6.421 1.00 34.04 O ATOM 0 H GLY A 18 17.235 -4.461 8.740 1.00 32.28 H new ATOM 0 HA2 GLY A 18 14.338 -4.829 8.082 1.00 32.82 H new ATOM 0 HA3 GLY A 18 15.385 -3.549 7.502 1.00 32.82 H new ATOM 292 N VAL A 19 14.802 -5.492 5.556 1.00 36.31 N ATOM 293 CA VAL A 19 15.076 -6.280 4.322 1.00 38.94 C ATOM 294 C VAL A 19 14.535 -5.517 3.116 1.00 39.44 C ATOM 295 O VAL A 19 13.356 -5.240 3.019 1.00 39.08 O ATOM 296 CB VAL A 19 14.391 -7.645 4.411 1.00 39.83 C ATOM 297 CG1 VAL A 19 15.177 -8.666 3.585 1.00 41.87 C ATOM 298 CG2 VAL A 19 14.342 -8.101 5.872 1.00 39.95 C ATOM 0 H VAL A 19 13.899 -5.018 5.577 1.00 36.31 H new ATOM 0 HA VAL A 19 16.151 -6.429 4.217 1.00 38.94 H new ATOM 0 HB VAL A 19 13.376 -7.566 4.022 1.00 39.83 H new ATOM 0 HG11 VAL A 19 14.689 -9.639 3.648 1.00 41.87 H new ATOM 0 HG12 VAL A 19 15.210 -8.344 2.544 1.00 41.87 H new ATOM 0 HG13 VAL A 19 16.193 -8.744 3.973 1.00 41.87 H new ATOM 0 HG21 VAL A 19 13.854 -9.074 5.933 1.00 39.95 H new ATOM 0 HG22 VAL A 19 15.356 -8.179 6.263 1.00 39.95 H new ATOM 0 HG23 VAL A 19 13.781 -7.375 6.461 1.00 39.95 H new ATOM 308 N SER A 20 15.391 -5.162 2.201 1.00 41.09 N ATOM 309 CA SER A 20 14.934 -4.403 1.007 1.00 44.70 C ATOM 310 C SER A 20 13.852 -5.199 0.273 1.00 47.21 C ATOM 311 O SER A 20 14.132 -5.959 -0.634 1.00 47.07 O ATOM 312 CB SER A 20 16.120 -4.164 0.073 1.00 44.37 C ATOM 313 OG SER A 20 17.229 -3.700 0.832 1.00 46.57 O ATOM 0 H SER A 20 16.390 -5.366 2.229 1.00 41.09 H new ATOM 0 HA SER A 20 14.521 -3.445 1.322 1.00 44.70 H new ATOM 0 HB2 SER A 20 16.380 -5.086 -0.446 1.00 44.37 H new ATOM 0 HB3 SER A 20 15.855 -3.432 -0.690 1.00 44.37 H new ATOM 0 HG SER A 20 17.992 -3.547 0.236 1.00 46.57 H new ATOM 319 N ARG A 21 12.616 -5.028 0.656 1.00 50.78 N ATOM 320 CA ARG A 21 11.511 -5.774 -0.024 1.00 55.55 C ATOM 321 C ARG A 21 11.896 -7.247 -0.170 1.00 55.58 C ATOM 322 O ARG A 21 11.828 -7.813 -1.243 1.00 54.47 O ATOM 323 CB ARG A 21 11.271 -5.174 -1.408 1.00 59.49 C ATOM 324 CG ARG A 21 10.760 -3.739 -1.262 1.00 60.53 C ATOM 325 CD ARG A 21 9.607 -3.506 -2.240 1.00 64.36 C ATOM 326 NE ARG A 21 8.310 -3.645 -1.520 1.00 68.68 N ATOM 327 CZ ARG A 21 7.208 -3.204 -2.065 1.00 71.11 C ATOM 328 NH1 ARG A 21 7.237 -2.638 -3.242 1.00 70.71 N ATOM 329 NH2 ARG A 21 6.073 -3.328 -1.431 1.00 71.56 N ATOM 0 H ARG A 21 12.321 -4.406 1.409 1.00 50.78 H new ATOM 0 HA ARG A 21 10.602 -5.696 0.573 1.00 55.55 H new ATOM 0 HB2 ARG A 21 12.195 -5.185 -1.986 1.00 59.49 H new ATOM 0 HB3 ARG A 21 10.546 -5.775 -1.956 1.00 59.49 H new ATOM 0 HG2 ARG A 21 10.425 -3.563 -0.240 1.00 60.53 H new ATOM 0 HG3 ARG A 21 11.566 -3.033 -1.459 1.00 60.53 H new ATOM 0 HD2 ARG A 21 9.686 -2.513 -2.682 1.00 64.36 H new ATOM 0 HD3 ARG A 21 9.660 -4.224 -3.059 1.00 64.36 H new ATOM 0 HE ARG A 21 8.283 -4.085 -0.600 1.00 68.68 H new ATOM 0 HH11 ARG A 21 8.122 -2.539 -3.739 1.00 70.71 H new ATOM 0 HH12 ARG A 21 6.374 -2.295 -3.664 1.00 70.71 H new ATOM 0 HH21 ARG A 21 6.048 -3.769 -0.511 1.00 71.56 H new ATOM 0 HH22 ARG A 21 5.212 -2.984 -1.855 1.00 71.56 H new ATOM 343 N GLN A 22 12.296 -7.874 0.903 1.00 57.32 N ATOM 344 CA GLN A 22 12.681 -9.312 0.829 1.00 58.73 C ATOM 345 C GLN A 22 13.786 -9.501 -0.213 1.00 58.18 C ATOM 346 O GLN A 22 14.056 -10.601 -0.651 1.00 59.52 O ATOM 347 CB GLN A 22 11.463 -10.149 0.433 1.00 62.32 C ATOM 348 CG GLN A 22 10.548 -10.327 1.646 1.00 65.12 C ATOM 349 CD GLN A 22 9.421 -11.301 1.296 1.00 66.38 C ATOM 350 OE1 GLN A 22 9.257 -12.315 1.943 1.00 66.60 O ATOM 351 NE2 GLN A 22 8.633 -11.033 0.291 1.00 65.96 N ATOM 0 H GLN A 22 12.373 -7.452 1.828 1.00 57.32 H new ATOM 0 HA GLN A 22 13.045 -9.634 1.804 1.00 58.73 H new ATOM 0 HB2 GLN A 22 10.920 -9.660 -0.376 1.00 62.32 H new ATOM 0 HB3 GLN A 22 11.783 -11.122 0.060 1.00 62.32 H new ATOM 0 HG2 GLN A 22 11.120 -10.705 2.494 1.00 65.12 H new ATOM 0 HG3 GLN A 22 10.132 -9.365 1.945 1.00 65.12 H new ATOM 0 HE21 GLN A 22 8.771 -10.181 -0.252 1.00 65.96 H new ATOM 0 HE22 GLN A 22 7.879 -11.676 0.049 1.00 65.96 H new ATOM 360 N GLY A 23 14.430 -8.439 -0.610 1.00 55.49 N ATOM 361 CA GLY A 23 15.519 -8.564 -1.618 1.00 50.89 C ATOM 362 C GLY A 23 16.857 -8.704 -0.895 1.00 48.17 C ATOM 363 O GLY A 23 17.606 -9.632 -1.123 1.00 50.32 O ATOM 0 H GLY A 23 14.249 -7.491 -0.280 1.00 55.49 H new ATOM 0 HA2 GLY A 23 15.344 -9.431 -2.255 1.00 50.89 H new ATOM 0 HA3 GLY A 23 15.532 -7.689 -2.267 1.00 50.89 H new ATOM 367 N LYS A 24 17.159 -7.788 -0.016 1.00 44.99 N ATOM 368 CA LYS A 24 18.444 -7.864 0.732 1.00 42.22 C ATOM 369 C LYS A 24 18.214 -7.393 2.171 1.00 42.41 C ATOM 370 O LYS A 24 17.353 -6.573 2.421 1.00 42.26 O ATOM 371 CB LYS A 24 19.482 -6.964 0.059 1.00 40.33 C ATOM 372 CG LYS A 24 19.788 -7.494 -1.343 1.00 40.86 C ATOM 373 CD LYS A 24 20.706 -8.713 -1.240 1.00 37.00 C ATOM 374 CE LYS A 24 21.982 -8.463 -2.046 1.00 36.58 C ATOM 375 NZ LYS A 24 23.168 -8.853 -1.232 1.00 34.22 N ATOM 0 H LYS A 24 16.569 -6.989 0.216 1.00 44.99 H new ATOM 0 HA LYS A 24 18.807 -8.892 0.735 1.00 42.22 H new ATOM 0 HB2 LYS A 24 19.108 -5.942 -0.001 1.00 40.33 H new ATOM 0 HB3 LYS A 24 20.394 -6.935 0.655 1.00 40.33 H new ATOM 0 HG2 LYS A 24 18.862 -7.765 -1.851 1.00 40.86 H new ATOM 0 HG3 LYS A 24 20.264 -6.717 -1.941 1.00 40.86 H new ATOM 0 HD2 LYS A 24 20.955 -8.907 -0.197 1.00 37.00 H new ATOM 0 HD3 LYS A 24 20.194 -9.599 -1.615 1.00 37.00 H new ATOM 0 HE2 LYS A 24 21.958 -9.037 -2.972 1.00 36.58 H new ATOM 0 HE3 LYS A 24 22.049 -7.411 -2.325 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 24.036 -8.683 -1.779 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 23.192 -8.286 -0.360 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 23.105 -9.862 -0.988 1.00 34.22 H new ATOM 389 N PRO A 25 18.992 -7.927 3.077 1.00 42.36 N ATOM 390 CA PRO A 25 18.896 -7.580 4.504 1.00 40.32 C ATOM 391 C PRO A 25 19.544 -6.219 4.769 1.00 36.91 C ATOM 392 O PRO A 25 20.663 -5.964 4.369 1.00 36.63 O ATOM 393 CB PRO A 25 19.663 -8.702 5.202 1.00 42.73 C ATOM 394 CG PRO A 25 20.610 -9.300 4.143 1.00 43.71 C ATOM 395 CD PRO A 25 20.038 -8.920 2.766 1.00 44.10 C ATOM 0 HA PRO A 25 17.868 -7.496 4.856 1.00 40.32 H new ATOM 0 HB2 PRO A 25 20.225 -8.318 6.054 1.00 42.73 H new ATOM 0 HB3 PRO A 25 18.980 -9.460 5.586 1.00 42.73 H new ATOM 0 HG2 PRO A 25 21.620 -8.908 4.263 1.00 43.71 H new ATOM 0 HG3 PRO A 25 20.673 -10.383 4.249 1.00 43.71 H new ATOM 0 HD2 PRO A 25 20.806 -8.501 2.116 1.00 44.10 H new ATOM 0 HD3 PRO A 25 19.625 -9.788 2.252 1.00 44.10 H new ATOM 403 N TYR A 26 18.850 -5.341 5.442 1.00 32.09 N ATOM 404 CA TYR A 26 19.428 -4.001 5.729 1.00 27.86 C ATOM 405 C TYR A 26 18.972 -3.532 7.112 1.00 26.29 C ATOM 406 O TYR A 26 17.820 -3.645 7.468 1.00 28.07 O ATOM 407 CB TYR A 26 18.973 -3.000 4.657 1.00 23.99 C ATOM 408 CG TYR A 26 17.502 -2.665 4.817 1.00 24.09 C ATOM 409 CD1 TYR A 26 17.079 -1.840 5.866 1.00 24.63 C ATOM 410 CD2 TYR A 26 16.567 -3.164 3.902 1.00 24.19 C ATOM 411 CE1 TYR A 26 15.723 -1.518 6.002 1.00 24.84 C ATOM 412 CE2 TYR A 26 15.211 -2.841 4.038 1.00 24.77 C ATOM 413 CZ TYR A 26 14.790 -2.018 5.087 1.00 24.25 C ATOM 414 OH TYR A 26 13.454 -1.700 5.220 1.00 29.25 O ATOM 0 H TYR A 26 17.909 -5.495 5.804 1.00 32.09 H new ATOM 0 HA TYR A 26 20.516 -4.065 5.715 1.00 27.86 H new ATOM 0 HB2 TYR A 26 19.567 -2.089 4.729 1.00 23.99 H new ATOM 0 HB3 TYR A 26 19.149 -3.418 3.666 1.00 23.99 H new ATOM 0 HD1 TYR A 26 17.799 -1.452 6.571 1.00 24.63 H new ATOM 0 HD2 TYR A 26 16.892 -3.799 3.091 1.00 24.19 H new ATOM 0 HE1 TYR A 26 15.397 -0.884 6.813 1.00 24.84 H new ATOM 0 HE2 TYR A 26 14.490 -3.228 3.333 1.00 24.77 H new ATOM 0 HH TYR A 26 12.943 -2.128 4.502 1.00 29.25 H new ATOM 424 N SER A 27 19.873 -3.008 7.897 1.00 24.52 N ATOM 425 CA SER A 27 19.491 -2.528 9.255 1.00 22.20 C ATOM 426 C SER A 27 19.279 -1.015 9.196 1.00 20.52 C ATOM 427 O SER A 27 20.135 -0.243 9.580 1.00 23.07 O ATOM 428 CB SER A 27 20.612 -2.849 10.245 1.00 25.30 C ATOM 429 OG SER A 27 21.585 -3.663 9.604 1.00 29.25 O ATOM 0 H SER A 27 20.857 -2.892 7.657 1.00 24.52 H new ATOM 0 HA SER A 27 18.575 -3.021 9.581 1.00 22.20 H new ATOM 0 HB2 SER A 27 21.071 -1.928 10.604 1.00 25.30 H new ATOM 0 HB3 SER A 27 20.207 -3.364 11.116 1.00 25.30 H new ATOM 0 HG SER A 27 22.306 -3.869 10.235 1.00 29.25 H new ATOM 435 N LEU A 28 18.153 -0.584 8.698 1.00 18.57 N ATOM 436 CA LEU A 28 17.894 0.879 8.591 1.00 16.31 C ATOM 437 C LEU A 28 17.362 1.423 9.920 1.00 14.21 C ATOM 438 O LEU A 28 16.900 0.685 10.768 1.00 16.97 O ATOM 439 CB LEU A 28 16.869 1.128 7.485 1.00 16.48 C ATOM 440 CG LEU A 28 17.175 2.455 6.791 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.316 2.223 5.285 1.00 24.00 C ATOM 442 CD2 LEU A 28 16.034 3.443 7.052 1.00 22.01 C ATOM 0 H LEU A 28 17.400 -1.183 8.360 1.00 18.57 H new ATOM 0 HA LEU A 28 18.826 1.391 8.353 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.895 0.313 6.761 1.00 16.48 H new ATOM 0 HB3 LEU A 28 15.864 1.149 7.905 1.00 16.48 H new ATOM 0 HG LEU A 28 18.106 2.864 7.184 1.00 22.19 H new ATOM 0 HD11 LEU A 28 17.534 3.169 4.790 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.129 1.521 5.100 1.00 24.00 H new ATOM 0 HD13 LEU A 28 16.386 1.814 4.891 1.00 24.00 H new ATOM 0 HD21 LEU A 28 16.252 4.389 6.557 1.00 22.01 H new ATOM 0 HD22 LEU A 28 15.102 3.035 6.660 1.00 22.01 H new ATOM 0 HD23 LEU A 28 15.935 3.609 8.125 1.00 22.01 H new ATOM 454 N ASN A 29 17.430 2.715 10.104 1.00 11.64 N ATOM 455 CA ASN A 29 16.936 3.326 11.374 1.00 9.77 C ATOM 456 C ASN A 29 15.432 3.613 11.252 1.00 7.94 C ATOM 457 O ASN A 29 15.025 4.558 10.608 1.00 10.52 O ATOM 458 CB ASN A 29 17.673 4.643 11.638 1.00 14.73 C ATOM 459 CG ASN A 29 18.995 4.680 10.866 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.733 3.714 10.854 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.325 5.764 10.218 1.00 12.89 N ATOM 0 H ASN A 29 17.808 3.377 9.426 1.00 11.64 H new ATOM 0 HA ASN A 29 17.118 2.634 12.196 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.047 5.484 11.339 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.865 4.752 12.705 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.203 5.801 9.701 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.705 6.574 10.229 1.00 12.89 H new ATOM 468 N GLU A 30 14.604 2.809 11.866 1.00 8.58 N ATOM 469 CA GLU A 30 13.129 3.046 11.782 1.00 13.16 C ATOM 470 C GLU A 30 12.733 4.148 12.770 1.00 12.26 C ATOM 471 O GLU A 30 13.570 4.733 13.427 1.00 10.58 O ATOM 472 CB GLU A 30 12.384 1.756 12.133 1.00 14.93 C ATOM 473 CG GLU A 30 12.695 0.685 11.087 1.00 27.13 C ATOM 474 CD GLU A 30 11.576 -0.358 11.076 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.622 -1.257 11.900 1.00 38.01 O ATOM 476 OE2 GLU A 30 10.691 -0.241 10.244 1.00 40.03 O ATOM 0 H GLU A 30 14.883 2.000 12.421 1.00 8.58 H new ATOM 0 HA GLU A 30 12.867 3.353 10.769 1.00 13.16 H new ATOM 0 HB2 GLU A 30 12.682 1.410 13.123 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.311 1.942 12.170 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.791 1.141 10.102 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.649 0.208 11.312 1.00 27.13 H new ATOM 483 N GLN A 31 11.462 4.437 12.879 1.00 10.34 N ATOM 484 CA GLN A 31 11.019 5.504 13.825 1.00 9.46 C ATOM 485 C GLN A 31 9.493 5.454 13.984 1.00 10.09 C ATOM 486 O GLN A 31 8.841 4.538 13.522 1.00 9.36 O ATOM 487 CB GLN A 31 11.431 6.875 13.272 1.00 7.25 C ATOM 488 CG GLN A 31 12.635 7.417 14.048 1.00 10.62 C ATOM 489 CD GLN A 31 12.676 8.938 13.920 1.00 8.77 C ATOM 490 OE1 GLN A 31 13.160 9.458 12.936 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.187 9.680 14.878 1.00 12.39 N ATOM 0 H GLN A 31 10.714 3.982 12.356 1.00 10.34 H new ATOM 0 HA GLN A 31 11.487 5.344 14.796 1.00 9.46 H new ATOM 0 HB2 GLN A 31 11.679 6.789 12.214 1.00 7.25 H new ATOM 0 HB3 GLN A 31 10.596 7.572 13.348 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.564 7.131 15.097 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.557 6.983 13.661 1.00 10.62 H new ATOM 0 HE21 GLN A 31 11.780 9.243 15.705 1.00 12.39 H new ATOM 0 HE22 GLN A 31 12.212 10.697 14.799 1.00 12.39 H new ATOM 500 N LEU A 32 8.920 6.433 14.638 1.00 6.80 N ATOM 501 CA LEU A 32 7.440 6.447 14.832 1.00 10.34 C ATOM 502 C LEU A 32 6.882 7.829 14.452 1.00 9.02 C ATOM 503 O LEU A 32 7.619 8.715 14.069 1.00 11.15 O ATOM 504 CB LEU A 32 7.136 6.147 16.301 1.00 10.20 C ATOM 505 CG LEU A 32 7.188 4.636 16.541 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.559 4.259 17.107 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.097 4.242 17.540 1.00 15.89 C ATOM 0 H LEU A 32 9.416 7.225 15.047 1.00 6.80 H new ATOM 0 HA LEU A 32 6.973 5.694 14.198 1.00 10.34 H new ATOM 0 HB2 LEU A 32 7.859 6.652 16.942 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.151 6.533 16.565 1.00 10.20 H new ATOM 0 HG LEU A 32 7.026 4.111 15.600 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.598 3.183 17.279 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.336 4.542 16.397 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.720 4.783 18.049 1.00 17.42 H new ATOM 0 HD21 LEU A 32 6.133 3.166 17.712 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.260 4.766 18.482 1.00 15.89 H new ATOM 0 HD23 LEU A 32 5.121 4.513 17.138 1.00 15.89 H new ATOM 519 N CYS A 33 5.586 8.021 14.543 1.00 9.68 N ATOM 520 CA CYS A 33 4.997 9.339 14.175 1.00 8.10 C ATOM 521 C CYS A 33 3.516 9.347 14.556 1.00 6.34 C ATOM 522 O CYS A 33 2.905 8.311 14.702 1.00 8.02 O ATOM 523 CB CYS A 33 5.101 9.559 12.664 1.00 8.88 C ATOM 524 SG CYS A 33 5.135 7.967 11.798 1.00 13.84 S ATOM 0 H CYS A 33 4.915 7.319 14.857 1.00 9.68 H new ATOM 0 HA CYS A 33 5.538 10.126 14.701 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.255 10.152 12.317 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.003 10.126 12.433 1.00 8.88 H new ATOM 0 HG CYS A 33 4.804 7.018 12.622 1.00 13.84 H new ATOM 530 N TYR A 34 2.929 10.503 14.698 1.00 7.35 N ATOM 531 CA TYR A 34 1.482 10.565 15.054 1.00 7.08 C ATOM 532 C TYR A 34 0.718 11.216 13.904 1.00 7.71 C ATOM 533 O TYR A 34 0.553 12.418 13.865 1.00 7.80 O ATOM 534 CB TYR A 34 1.295 11.421 16.299 1.00 8.67 C ATOM 535 CG TYR A 34 1.391 10.583 17.550 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.326 9.550 17.653 1.00 12.44 C ATOM 537 CD2 TYR A 34 0.544 10.874 18.628 1.00 13.61 C ATOM 538 CE1 TYR A 34 2.409 8.807 18.835 1.00 16.38 C ATOM 539 CE2 TYR A 34 0.625 10.130 19.801 1.00 17.22 C ATOM 540 CZ TYR A 34 1.556 9.099 19.904 1.00 16.83 C ATOM 541 OH TYR A 34 1.640 8.364 21.070 1.00 21.14 O ATOM 0 H TYR A 34 3.387 11.407 14.583 1.00 7.35 H new ATOM 0 HA TYR A 34 1.113 9.556 15.240 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.052 12.205 16.323 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.325 11.916 16.262 1.00 8.67 H new ATOM 0 HD1 TYR A 34 2.981 9.326 16.824 1.00 12.44 H new ATOM 0 HD2 TYR A 34 -0.173 11.678 18.548 1.00 13.61 H new ATOM 0 HE1 TYR A 34 3.131 8.009 18.922 1.00 16.38 H new ATOM 0 HE2 TYR A 34 -0.032 10.351 20.629 1.00 17.22 H new ATOM 0 HH TYR A 34 0.979 8.695 21.714 1.00 21.14 H new ATOM 551 N VAL A 35 0.259 10.445 12.965 1.00 9.44 N ATOM 552 CA VAL A 35 -0.481 11.044 11.820 1.00 10.66 C ATOM 553 C VAL A 35 -1.977 11.073 12.116 1.00 10.57 C ATOM 554 O VAL A 35 -2.613 10.046 12.247 1.00 8.31 O ATOM 555 CB VAL A 35 -0.236 10.221 10.558 1.00 10.22 C ATOM 556 CG1 VAL A 35 -1.074 10.796 9.413 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.248 10.290 10.190 1.00 9.86 C ATOM 0 H VAL A 35 0.362 9.431 12.937 1.00 9.44 H new ATOM 0 HA VAL A 35 -0.124 12.063 11.670 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.519 9.183 10.733 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.903 10.212 8.508 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -2.130 10.754 9.678 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.786 11.832 9.236 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.427 9.703 9.289 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.530 11.327 10.010 1.00 9.86 H new ATOM 0 HG23 VAL A 35 1.845 9.889 11.009 1.00 9.86 H new ATOM 567 N ASP A 36 -2.552 12.242 12.211 1.00 8.58 N ATOM 568 CA ASP A 36 -4.003 12.325 12.476 1.00 11.48 C ATOM 569 C ASP A 36 -4.737 11.630 11.331 1.00 12.38 C ATOM 570 O ASP A 36 -5.876 11.230 11.457 1.00 11.89 O ATOM 571 CB ASP A 36 -4.433 13.792 12.553 1.00 16.17 C ATOM 572 CG ASP A 36 -3.741 14.466 13.738 1.00 17.97 C ATOM 573 OD1 ASP A 36 -3.709 13.866 14.800 1.00 15.67 O ATOM 574 OD2 ASP A 36 -3.257 15.573 13.565 1.00 25.89 O ATOM 0 H ASP A 36 -2.074 13.138 12.116 1.00 8.58 H new ATOM 0 HA ASP A 36 -4.241 11.843 13.424 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -4.175 14.306 11.627 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -5.515 13.859 12.664 1.00 16.17 H new ATOM 579 N LEU A 37 -4.079 11.485 10.212 1.00 13.17 N ATOM 580 CA LEU A 37 -4.713 10.815 9.043 1.00 18.47 C ATOM 581 C LEU A 37 -6.170 11.258 8.916 1.00 21.14 C ATOM 582 O LEU A 37 -7.004 10.545 8.395 1.00 24.24 O ATOM 583 CB LEU A 37 -4.653 9.302 9.235 1.00 15.81 C ATOM 584 CG LEU A 37 -5.302 8.614 8.038 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.304 7.639 7.416 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.545 7.851 8.505 1.00 20.01 C ATOM 0 H LEU A 37 -3.123 11.805 10.058 1.00 13.17 H new ATOM 0 HA LEU A 37 -4.177 11.091 8.135 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.617 8.978 9.337 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -5.167 9.020 10.154 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.592 9.359 7.297 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.763 7.145 6.560 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.419 8.184 7.088 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -4.017 6.891 8.155 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -7.011 7.358 7.652 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -6.257 7.103 9.243 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -7.253 8.548 8.953 1.00 20.01 H new ATOM 598 N GLY A 38 -6.480 12.436 9.378 1.00 20.70 N ATOM 599 CA GLY A 38 -7.877 12.934 9.275 1.00 23.91 C ATOM 600 C GLY A 38 -8.833 12.022 10.057 1.00 26.50 C ATOM 601 O GLY A 38 -10.000 11.924 9.734 1.00 31.02 O ATOM 0 H GLY A 38 -5.823 13.077 9.824 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.936 13.951 9.663 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.179 12.974 8.228 1.00 23.91 H new ATOM 605 N ASN A 39 -8.364 11.352 11.082 1.00 27.64 N ATOM 606 CA ASN A 39 -9.279 10.463 11.852 1.00 30.27 C ATOM 607 C ASN A 39 -9.614 11.089 13.213 1.00 26.79 C ATOM 608 O ASN A 39 -10.010 10.410 14.138 1.00 26.87 O ATOM 609 CB ASN A 39 -8.644 9.082 12.053 1.00 35.62 C ATOM 610 CG ASN A 39 -7.171 9.229 12.430 1.00 41.31 C ATOM 611 OD1 ASN A 39 -6.817 10.072 13.227 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.291 8.427 11.891 1.00 39.63 N ATOM 0 H ASN A 39 -7.400 11.383 11.413 1.00 27.64 H new ATOM 0 HA ASN A 39 -10.201 10.345 11.282 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -9.175 8.540 12.836 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.736 8.495 11.139 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.305 8.510 12.140 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -6.590 7.718 11.221 1.00 39.63 H new ATOM 619 N GLU A 40 -9.485 12.381 13.330 1.00 25.15 N ATOM 620 CA GLU A 40 -9.822 13.062 14.620 1.00 23.81 C ATOM 621 C GLU A 40 -8.930 12.553 15.761 1.00 21.12 C ATOM 622 O GLU A 40 -9.414 12.195 16.814 1.00 19.86 O ATOM 623 CB GLU A 40 -11.287 12.789 14.967 1.00 27.22 C ATOM 624 CG GLU A 40 -12.191 13.702 14.137 1.00 34.87 C ATOM 625 CD GLU A 40 -13.628 13.179 14.186 1.00 38.97 C ATOM 626 OE1 GLU A 40 -14.144 13.027 15.281 1.00 39.54 O ATOM 627 OE2 GLU A 40 -14.187 12.940 13.128 1.00 42.34 O ATOM 0 H GLU A 40 -9.160 13.000 12.588 1.00 25.15 H new ATOM 0 HA GLU A 40 -9.654 14.132 14.500 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -11.529 11.745 14.770 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -11.457 12.961 16.030 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -12.150 14.720 14.523 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.841 13.738 13.105 1.00 34.87 H new ATOM 634 N HIS A 41 -7.638 12.539 15.559 1.00 6.50 N ATOM 635 CA HIS A 41 -6.683 12.077 16.617 1.00 5.84 C ATOM 636 C HIS A 41 -5.414 11.583 15.930 1.00 4.60 C ATOM 637 O HIS A 41 -5.476 11.091 14.824 1.00 3.72 O ATOM 638 CB HIS A 41 -7.282 10.930 17.436 1.00 6.32 C ATOM 639 CG HIS A 41 -7.799 9.858 16.521 1.00 6.31 C ATOM 640 ND1 HIS A 41 -9.123 9.446 16.531 1.00 7.24 N ATOM 641 CD2 HIS A 41 -7.174 9.090 15.576 1.00 6.55 C ATOM 642 CE1 HIS A 41 -9.248 8.467 15.616 1.00 8.31 C ATOM 643 NE2 HIS A 41 -8.089 8.211 15.004 1.00 8.21 N ATOM 0 H HIS A 41 -7.194 12.834 14.689 1.00 6.50 H new ATOM 0 HA HIS A 41 -6.470 12.906 17.291 1.00 5.84 H new ATOM 0 HB2 HIS A 41 -6.526 10.516 18.103 1.00 6.32 H new ATOM 0 HB3 HIS A 41 -8.091 11.305 18.064 1.00 6.32 H new ATOM 0 HD1 HIS A 41 -9.866 9.817 17.123 1.00 7.24 H new ATOM 0 HD2 HIS A 41 -6.128 9.156 15.314 1.00 6.55 H new ATOM 0 HE1 HIS A 41 -10.173 7.951 15.403 1.00 8.31 H new ATOM 651 N PRO A 42 -4.299 11.722 16.597 1.00 15.11 N ATOM 652 CA PRO A 42 -3.006 11.292 16.048 1.00 16.08 C ATOM 653 C PRO A 42 -2.879 9.780 16.120 1.00 17.92 C ATOM 654 O PRO A 42 -3.374 9.147 17.032 1.00 17.13 O ATOM 655 CB PRO A 42 -1.978 11.937 16.967 1.00 16.41 C ATOM 656 CG PRO A 42 -2.709 12.225 18.296 1.00 13.79 C ATOM 657 CD PRO A 42 -4.215 12.301 17.954 1.00 16.28 C ATOM 0 HA PRO A 42 -2.882 11.576 15.003 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -1.128 11.274 17.126 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.588 12.856 16.530 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -2.515 11.438 19.025 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -2.362 13.160 18.736 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.816 11.737 18.667 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.578 13.329 17.974 1.00 16.28 H new ATOM 665 N VAL A 43 -2.208 9.195 15.180 1.00 16.29 N ATOM 666 CA VAL A 43 -2.042 7.731 15.218 1.00 14.28 C ATOM 667 C VAL A 43 -0.563 7.401 15.250 1.00 9.00 C ATOM 668 O VAL A 43 0.173 7.692 14.328 1.00 7.99 O ATOM 669 CB VAL A 43 -2.679 7.110 13.981 1.00 17.96 C ATOM 670 CG1 VAL A 43 -4.129 7.576 13.865 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.898 7.545 12.737 1.00 20.57 C ATOM 0 H VAL A 43 -1.769 9.667 14.390 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.527 7.330 16.108 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.656 6.023 14.064 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.584 7.132 12.980 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.682 7.267 14.752 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -4.156 8.662 13.780 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -2.351 7.102 11.850 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.923 8.632 12.653 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.864 7.211 12.821 1.00 20.57 H new ATOM 681 N LEU A 44 -0.121 6.792 16.305 1.00 10.19 N ATOM 682 CA LEU A 44 1.307 6.443 16.391 1.00 11.55 C ATOM 683 C LEU A 44 1.602 5.349 15.370 1.00 10.61 C ATOM 684 O LEU A 44 1.232 4.204 15.540 1.00 13.49 O ATOM 685 CB LEU A 44 1.629 5.955 17.792 1.00 10.60 C ATOM 686 CG LEU A 44 3.087 5.520 17.841 1.00 13.48 C ATOM 687 CD1 LEU A 44 3.972 6.622 17.255 1.00 15.65 C ATOM 688 CD2 LEU A 44 3.492 5.254 19.293 1.00 20.21 C ATOM 0 H LEU A 44 -0.688 6.523 17.109 1.00 10.19 H new ATOM 0 HA LEU A 44 1.922 7.317 16.178 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.448 6.748 18.518 1.00 10.60 H new ATOM 0 HB3 LEU A 44 0.978 5.123 18.060 1.00 10.60 H new ATOM 0 HG LEU A 44 3.213 4.608 17.257 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.015 6.308 17.291 1.00 15.65 H new ATOM 0 HD12 LEU A 44 3.685 6.808 16.220 1.00 15.65 H new ATOM 0 HD13 LEU A 44 3.848 7.536 17.836 1.00 15.65 H new ATOM 0 HD21 LEU A 44 4.536 4.942 19.328 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.365 6.164 19.879 1.00 20.21 H new ATOM 0 HD23 LEU A 44 2.864 4.465 19.707 1.00 20.21 H new ATOM 700 N VAL A 45 2.251 5.702 14.303 1.00 10.81 N ATOM 701 CA VAL A 45 2.562 4.701 13.248 1.00 9.29 C ATOM 702 C VAL A 45 4.080 4.641 13.043 1.00 9.95 C ATOM 703 O VAL A 45 4.817 5.463 13.548 1.00 9.36 O ATOM 704 CB VAL A 45 1.815 5.097 11.958 1.00 4.64 C ATOM 705 CG1 VAL A 45 2.784 5.449 10.822 1.00 7.95 C ATOM 706 CG2 VAL A 45 0.920 3.934 11.517 1.00 10.20 C ATOM 0 H VAL A 45 2.583 6.647 14.113 1.00 10.81 H new ATOM 0 HA VAL A 45 2.230 3.705 13.540 1.00 9.29 H new ATOM 0 HB VAL A 45 1.216 5.982 12.174 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.217 5.722 9.932 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.410 6.288 11.125 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.414 4.587 10.601 1.00 7.95 H new ATOM 0 HG21 VAL A 45 0.389 4.209 10.605 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.534 3.054 11.328 1.00 10.20 H new ATOM 0 HG23 VAL A 45 0.199 3.711 12.303 1.00 10.20 H new ATOM 716 N LYS A 46 4.551 3.663 12.323 1.00 10.76 N ATOM 717 CA LYS A 46 6.020 3.538 12.108 1.00 12.81 C ATOM 718 C LYS A 46 6.478 4.452 10.967 1.00 13.35 C ATOM 719 O LYS A 46 5.714 4.814 10.095 1.00 12.90 O ATOM 720 CB LYS A 46 6.359 2.087 11.763 1.00 17.04 C ATOM 721 CG LYS A 46 7.874 1.884 11.835 1.00 26.60 C ATOM 722 CD LYS A 46 8.179 0.416 12.138 1.00 33.77 C ATOM 723 CE LYS A 46 8.028 0.162 13.638 1.00 34.48 C ATOM 724 NZ LYS A 46 6.746 -0.556 13.893 1.00 36.74 N ATOM 0 H LYS A 46 3.983 2.944 11.874 1.00 10.76 H new ATOM 0 HA LYS A 46 6.535 3.835 13.022 1.00 12.81 H new ATOM 0 HB2 LYS A 46 5.858 1.411 12.456 1.00 17.04 H new ATOM 0 HB3 LYS A 46 5.996 1.846 10.764 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.336 2.175 10.891 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.301 2.522 12.609 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.502 -0.230 11.579 1.00 33.77 H new ATOM 0 HD3 LYS A 46 9.191 0.170 11.817 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.867 -0.429 14.004 1.00 34.48 H new ATOM 0 HE3 LYS A 46 8.043 1.107 14.181 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 6.174 -0.014 14.572 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 6.221 -0.657 13.001 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.948 -1.498 14.285 1.00 36.74 H new ATOM 738 N ILE A 47 7.734 4.816 10.970 1.00 13.96 N ATOM 739 CA ILE A 47 8.277 5.692 9.897 1.00 16.93 C ATOM 740 C ILE A 47 9.709 5.246 9.583 1.00 16.52 C ATOM 741 O ILE A 47 10.337 4.562 10.368 1.00 17.67 O ATOM 742 CB ILE A 47 8.270 7.156 10.372 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.308 8.096 9.168 1.00 19.39 C ATOM 744 CG2 ILE A 47 9.479 7.434 11.262 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.318 9.236 9.392 1.00 18.26 C ATOM 0 H ILE A 47 8.412 4.539 11.680 1.00 13.96 H new ATOM 0 HA ILE A 47 7.663 5.614 9.000 1.00 16.93 H new ATOM 0 HB ILE A 47 7.357 7.327 10.943 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.314 8.493 9.033 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.055 7.552 8.258 1.00 19.39 H new ATOM 0 HG21 ILE A 47 9.459 8.474 11.589 1.00 18.08 H new ATOM 0 HG22 ILE A 47 9.448 6.779 12.133 1.00 18.08 H new ATOM 0 HG23 ILE A 47 10.395 7.248 10.700 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.340 9.911 8.536 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.314 8.828 9.507 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.592 9.784 10.293 1.00 18.26 H new ATOM 757 N THR A 48 10.236 5.623 8.453 1.00 16.86 N ATOM 758 CA THR A 48 11.628 5.209 8.118 1.00 16.59 C ATOM 759 C THR A 48 12.554 6.423 8.203 1.00 19.04 C ATOM 760 O THR A 48 12.340 7.430 7.557 1.00 22.56 O ATOM 761 CB THR A 48 11.668 4.632 6.701 1.00 16.30 C ATOM 762 OG1 THR A 48 10.344 4.528 6.196 1.00 17.90 O ATOM 763 CG2 THR A 48 12.316 3.247 6.732 1.00 16.02 C ATOM 0 H THR A 48 9.768 6.196 7.751 1.00 16.86 H new ATOM 0 HA THR A 48 11.959 4.448 8.825 1.00 16.59 H new ATOM 0 HB THR A 48 12.251 5.289 6.056 1.00 16.30 H new ATOM 0 HG1 THR A 48 10.160 5.286 5.603 1.00 17.90 H new ATOM 0 HG21 THR A 48 12.345 2.836 5.723 1.00 16.02 H new ATOM 0 HG22 THR A 48 13.332 3.329 7.119 1.00 16.02 H new ATOM 0 HG23 THR A 48 11.734 2.587 7.376 1.00 16.02 H new ATOM 771 N LEU A 49 13.583 6.332 8.998 1.00 18.35 N ATOM 772 CA LEU A 49 14.531 7.468 9.138 1.00 18.82 C ATOM 773 C LEU A 49 15.592 7.363 8.038 1.00 20.06 C ATOM 774 O LEU A 49 16.249 6.351 7.893 1.00 18.35 O ATOM 775 CB LEU A 49 15.194 7.380 10.519 1.00 18.79 C ATOM 776 CG LEU A 49 15.779 8.732 10.942 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.116 8.960 10.231 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.812 9.866 10.582 1.00 14.50 C ATOM 0 H LEU A 49 13.808 5.512 9.561 1.00 18.35 H new ATOM 0 HA LEU A 49 14.010 8.421 9.044 1.00 18.82 H new ATOM 0 HB2 LEU A 49 14.462 7.051 11.256 1.00 18.79 H new ATOM 0 HB3 LEU A 49 15.984 6.630 10.498 1.00 18.79 H new ATOM 0 HG LEU A 49 15.933 8.725 12.021 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.530 9.922 10.534 1.00 20.41 H new ATOM 0 HD12 LEU A 49 17.811 8.165 10.500 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.960 8.955 9.152 1.00 20.41 H new ATOM 0 HD21 LEU A 49 15.240 10.820 10.888 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.644 9.873 9.505 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.863 9.712 11.096 1.00 14.50 H new ATOM 790 N ASP A 50 15.761 8.395 7.257 1.00 22.62 N ATOM 791 CA ASP A 50 16.773 8.343 6.164 1.00 27.04 C ATOM 792 C ASP A 50 18.138 7.976 6.746 1.00 27.73 C ATOM 793 O ASP A 50 18.522 8.444 7.799 1.00 26.65 O ATOM 794 CB ASP A 50 16.862 9.709 5.483 1.00 29.11 C ATOM 795 CG ASP A 50 16.020 9.699 4.206 1.00 30.37 C ATOM 796 OD1 ASP A 50 14.824 9.481 4.309 1.00 30.76 O ATOM 797 OD2 ASP A 50 16.586 9.908 3.145 1.00 33.99 O ATOM 0 H ASP A 50 15.243 9.271 7.328 1.00 22.62 H new ATOM 0 HA ASP A 50 16.476 7.591 5.433 1.00 27.04 H new ATOM 0 HB2 ASP A 50 16.508 10.488 6.159 1.00 29.11 H new ATOM 0 HB3 ASP A 50 17.900 9.941 5.245 1.00 29.11 H new ATOM 802 N GLU A 51 18.876 7.141 6.068 1.00 31.16 N ATOM 803 CA GLU A 51 20.215 6.745 6.578 1.00 34.22 C ATOM 804 C GLU A 51 21.055 8.000 6.823 1.00 34.98 C ATOM 805 O GLU A 51 21.330 8.761 5.916 1.00 34.19 O ATOM 806 CB GLU A 51 20.904 5.856 5.542 1.00 38.24 C ATOM 807 CG GLU A 51 22.356 5.620 5.953 1.00 46.84 C ATOM 808 CD GLU A 51 22.406 4.618 7.107 1.00 51.38 C ATOM 809 OE1 GLU A 51 21.485 3.826 7.217 1.00 54.92 O ATOM 810 OE2 GLU A 51 23.364 4.659 7.861 1.00 53.83 O ATOM 0 H GLU A 51 18.607 6.716 5.181 1.00 31.16 H new ATOM 0 HA GLU A 51 20.108 6.196 7.513 1.00 34.22 H new ATOM 0 HB2 GLU A 51 20.380 4.904 5.459 1.00 38.24 H new ATOM 0 HB3 GLU A 51 20.866 6.328 4.560 1.00 38.24 H new ATOM 0 HG2 GLU A 51 22.928 5.242 5.105 1.00 46.84 H new ATOM 0 HG3 GLU A 51 22.817 6.561 6.255 1.00 46.84 H new ATOM 817 N GLY A 52 21.464 8.222 8.041 1.00 34.53 N ATOM 818 CA GLY A 52 22.285 9.428 8.342 1.00 34.93 C ATOM 819 C GLY A 52 21.367 10.590 8.721 1.00 36.10 C ATOM 820 O GLY A 52 21.771 11.520 9.391 1.00 35.97 O ATOM 0 H GLY A 52 21.265 7.621 8.841 1.00 34.53 H new ATOM 0 HA2 GLY A 52 22.976 9.216 9.158 1.00 34.93 H new ATOM 0 HA3 GLY A 52 22.888 9.696 7.475 1.00 34.93 H new ATOM 824 N GLN A 53 20.132 10.546 8.300 1.00 36.52 N ATOM 825 CA GLN A 53 19.191 11.650 8.641 1.00 35.40 C ATOM 826 C GLN A 53 18.927 11.644 10.148 1.00 31.02 C ATOM 827 O GLN A 53 18.998 10.613 10.783 1.00 29.05 O ATOM 828 CB GLN A 53 17.870 11.443 7.895 1.00 41.20 C ATOM 829 CG GLN A 53 17.738 12.495 6.790 1.00 47.61 C ATOM 830 CD GLN A 53 16.270 12.903 6.639 1.00 53.32 C ATOM 831 OE1 GLN A 53 15.535 12.308 5.876 1.00 53.91 O ATOM 832 NE2 GLN A 53 15.808 13.905 7.337 1.00 54.76 N ATOM 0 H GLN A 53 19.735 9.795 7.736 1.00 36.52 H new ATOM 0 HA GLN A 53 19.629 12.605 8.349 1.00 35.40 H new ATOM 0 HB2 GLN A 53 17.836 10.442 7.465 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.032 11.521 8.588 1.00 41.20 H new ATOM 0 HG2 GLN A 53 18.345 13.368 7.031 1.00 47.61 H new ATOM 0 HG3 GLN A 53 18.113 12.096 5.848 1.00 47.61 H new ATOM 0 HE21 GLN A 53 16.423 14.406 7.978 1.00 54.76 H new ATOM 0 HE22 GLN A 53 14.832 14.187 7.241 1.00 54.76 H new ATOM 841 N PRO A 54 18.622 12.800 10.673 1.00 27.43 N ATOM 842 CA PRO A 54 18.327 12.964 12.104 1.00 23.44 C ATOM 843 C PRO A 54 16.890 12.522 12.399 1.00 20.14 C ATOM 844 O PRO A 54 15.949 13.097 11.890 1.00 21.64 O ATOM 845 CB PRO A 54 18.492 14.465 12.336 1.00 24.39 C ATOM 846 CG PRO A 54 18.311 15.138 10.958 1.00 27.18 C ATOM 847 CD PRO A 54 18.551 14.050 9.895 1.00 28.37 C ATOM 0 HA PRO A 54 18.972 12.367 12.749 1.00 23.44 H new ATOM 0 HB2 PRO A 54 17.753 14.832 13.048 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.474 14.689 12.752 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.310 15.558 10.862 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.015 15.961 10.834 1.00 27.18 H new ATOM 0 HD2 PRO A 54 17.742 14.020 9.165 1.00 28.37 H new ATOM 0 HD3 PRO A 54 19.473 14.229 9.342 1.00 28.37 H new ATOM 855 N ALA A 55 16.723 11.500 13.207 1.00 17.21 N ATOM 856 CA ALA A 55 15.360 10.998 13.546 1.00 15.58 C ATOM 857 C ALA A 55 14.327 12.131 13.503 1.00 16.41 C ATOM 858 O ALA A 55 14.576 13.228 13.962 1.00 13.65 O ATOM 859 CB ALA A 55 15.397 10.408 14.950 1.00 13.98 C ATOM 0 H ALA A 55 17.487 10.989 13.650 1.00 17.21 H new ATOM 0 HA ALA A 55 15.070 10.243 12.815 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.407 10.036 15.214 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.114 9.587 14.981 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.697 11.178 15.661 1.00 13.98 H new ATOM 865 N TYR A 56 13.169 11.867 12.953 1.00 15.93 N ATOM 866 CA TYR A 56 12.111 12.916 12.876 1.00 14.61 C ATOM 867 C TYR A 56 12.073 13.698 14.192 1.00 15.51 C ATOM 868 O TYR A 56 11.600 13.215 15.199 1.00 17.19 O ATOM 869 CB TYR A 56 10.754 12.249 12.629 1.00 12.92 C ATOM 870 CG TYR A 56 10.777 11.553 11.283 1.00 11.75 C ATOM 871 CD1 TYR A 56 10.532 12.278 10.112 1.00 12.42 C ATOM 872 CD2 TYR A 56 11.072 10.188 11.213 1.00 7.14 C ATOM 873 CE1 TYR A 56 10.577 11.635 8.870 1.00 11.47 C ATOM 874 CE2 TYR A 56 11.121 9.545 9.973 1.00 7.90 C ATOM 875 CZ TYR A 56 10.872 10.267 8.800 1.00 10.29 C ATOM 876 OH TYR A 56 10.920 9.633 7.576 1.00 12.03 O ATOM 0 H TYR A 56 12.911 10.965 12.552 1.00 15.93 H new ATOM 0 HA TYR A 56 12.331 13.601 12.057 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.540 11.530 13.420 1.00 12.92 H new ATOM 0 HB3 TYR A 56 9.959 12.995 12.652 1.00 12.92 H new ATOM 0 HD1 TYR A 56 10.308 13.333 10.166 1.00 12.42 H new ATOM 0 HD2 TYR A 56 11.262 9.630 12.118 1.00 7.14 H new ATOM 0 HE1 TYR A 56 10.384 12.193 7.966 1.00 11.47 H new ATOM 0 HE2 TYR A 56 11.351 8.491 9.920 1.00 7.90 H new ATOM 0 HH TYR A 56 11.115 8.682 7.708 1.00 12.03 H new ATOM 886 N ALA A 57 12.573 14.902 14.194 1.00 13.38 N ATOM 887 CA ALA A 57 12.565 15.706 15.449 1.00 14.95 C ATOM 888 C ALA A 57 11.124 15.856 15.944 1.00 15.46 C ATOM 889 O ALA A 57 10.193 15.511 15.245 1.00 17.82 O ATOM 890 CB ALA A 57 13.159 17.090 15.174 1.00 14.98 C ATOM 0 H ALA A 57 12.986 15.364 13.384 1.00 13.38 H new ATOM 0 HA ALA A 57 13.162 15.202 16.210 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.153 17.678 16.092 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.184 16.982 14.819 1.00 14.98 H new ATOM 0 HB3 ALA A 57 12.564 17.597 14.415 1.00 14.98 H new ATOM 896 N PRO A 58 10.985 16.370 17.139 1.00 15.20 N ATOM 897 CA PRO A 58 9.667 16.583 17.759 1.00 16.55 C ATOM 898 C PRO A 58 9.005 17.830 17.171 1.00 16.75 C ATOM 899 O PRO A 58 9.357 18.945 17.502 1.00 17.28 O ATOM 900 CB PRO A 58 9.995 16.784 19.241 1.00 15.65 C ATOM 901 CG PRO A 58 11.473 17.235 19.303 1.00 14.16 C ATOM 902 CD PRO A 58 12.125 16.789 17.980 1.00 13.96 C ATOM 0 HA PRO A 58 8.972 15.760 17.592 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.341 17.534 19.685 1.00 15.65 H new ATOM 0 HB3 PRO A 58 9.847 15.860 19.800 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.544 18.316 19.425 1.00 14.16 H new ATOM 0 HG3 PRO A 58 11.980 16.784 20.156 1.00 14.16 H new ATOM 0 HD2 PRO A 58 12.684 17.602 17.517 1.00 13.96 H new ATOM 0 HD3 PRO A 58 12.826 15.970 18.138 1.00 13.96 H new ATOM 910 N GLY A 59 8.055 17.653 16.295 1.00 17.22 N ATOM 911 CA GLY A 59 7.385 18.834 15.685 1.00 15.08 C ATOM 912 C GLY A 59 6.218 18.376 14.808 1.00 14.96 C ATOM 913 O GLY A 59 5.954 17.199 14.680 1.00 13.79 O ATOM 0 H GLY A 59 7.715 16.745 15.977 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.023 19.502 16.467 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.100 19.400 15.088 1.00 15.08 H new ATOM 917 N LEU A 60 5.526 19.299 14.194 1.00 15.83 N ATOM 918 CA LEU A 60 4.389 18.917 13.308 1.00 14.53 C ATOM 919 C LEU A 60 4.965 18.309 12.032 1.00 14.15 C ATOM 920 O LEU A 60 6.052 18.658 11.618 1.00 13.27 O ATOM 921 CB LEU A 60 3.578 20.166 12.953 1.00 15.84 C ATOM 922 CG LEU A 60 2.099 19.921 13.249 1.00 16.91 C ATOM 923 CD1 LEU A 60 1.357 21.259 13.280 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.502 19.029 12.158 1.00 15.01 C ATOM 0 H LEU A 60 5.700 20.301 14.268 1.00 15.83 H new ATOM 0 HA LEU A 60 3.740 18.201 13.812 1.00 14.53 H new ATOM 0 HB2 LEU A 60 3.937 21.020 13.527 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.712 20.411 11.899 1.00 15.84 H new ATOM 0 HG LEU A 60 1.998 19.428 14.216 1.00 16.91 H new ATOM 0 HD11 LEU A 60 0.302 21.085 13.491 1.00 19.57 H new ATOM 0 HD12 LEU A 60 1.783 21.893 14.057 1.00 19.57 H new ATOM 0 HD13 LEU A 60 1.457 21.753 12.314 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.447 18.854 12.368 1.00 15.01 H new ATOM 0 HD22 LEU A 60 1.602 19.521 11.191 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.031 18.076 12.137 1.00 15.01 H new ATOM 936 N TYR A 61 4.272 17.400 11.401 1.00 11.12 N ATOM 937 CA TYR A 61 4.836 16.799 10.167 1.00 9.57 C ATOM 938 C TYR A 61 3.811 16.737 9.055 1.00 11.76 C ATOM 939 O TYR A 61 2.618 16.859 9.257 1.00 11.26 O ATOM 940 CB TYR A 61 5.345 15.391 10.463 1.00 9.42 C ATOM 941 CG TYR A 61 6.757 15.506 10.964 1.00 10.29 C ATOM 942 CD1 TYR A 61 6.991 15.922 12.275 1.00 10.26 C ATOM 943 CD2 TYR A 61 7.829 15.230 10.108 1.00 10.68 C ATOM 944 CE1 TYR A 61 8.298 16.064 12.737 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.140 15.368 10.571 1.00 13.03 C ATOM 946 CZ TYR A 61 9.371 15.786 11.885 1.00 11.06 C ATOM 947 OH TYR A 61 10.664 15.926 12.352 1.00 14.61 O ATOM 0 H TYR A 61 3.355 17.054 11.683 1.00 11.12 H new ATOM 0 HA TYR A 61 5.658 17.434 9.837 1.00 9.57 H new ATOM 0 HB2 TYR A 61 4.714 14.906 11.208 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.308 14.775 9.564 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.160 16.134 12.931 1.00 10.26 H new ATOM 0 HD2 TYR A 61 7.644 14.911 9.093 1.00 10.68 H new ATOM 0 HE1 TYR A 61 8.482 16.388 13.751 1.00 13.99 H new ATOM 0 HE2 TYR A 61 9.972 15.153 9.916 1.00 13.03 H new ATOM 0 HH TYR A 61 10.645 16.131 13.310 1.00 14.61 H new ATOM 957 N THR A 62 4.299 16.510 7.880 1.00 12.22 N ATOM 958 CA THR A 62 3.434 16.387 6.700 1.00 14.26 C ATOM 959 C THR A 62 4.070 15.328 5.827 1.00 15.40 C ATOM 960 O THR A 62 5.204 15.454 5.411 1.00 16.24 O ATOM 961 CB THR A 62 3.377 17.708 5.954 1.00 15.07 C ATOM 962 OG1 THR A 62 4.678 18.051 5.497 1.00 18.36 O ATOM 963 CG2 THR A 62 2.860 18.788 6.899 1.00 11.61 C ATOM 0 H THR A 62 5.295 16.402 7.687 1.00 12.22 H new ATOM 0 HA THR A 62 2.414 16.121 6.978 1.00 14.26 H new ATOM 0 HB THR A 62 2.710 17.622 5.096 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.641 18.903 5.014 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.815 19.741 6.372 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.863 18.519 7.248 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.532 18.876 7.753 1.00 11.61 H new ATOM 971 N VAL A 63 3.382 14.271 5.572 1.00 14.65 N ATOM 972 CA VAL A 63 4.004 13.207 4.755 1.00 15.17 C ATOM 973 C VAL A 63 4.510 13.814 3.455 1.00 14.24 C ATOM 974 O VAL A 63 4.164 14.920 3.090 1.00 19.13 O ATOM 975 CB VAL A 63 3.007 12.095 4.458 1.00 15.23 C ATOM 976 CG1 VAL A 63 3.761 10.893 3.898 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.290 11.688 5.752 1.00 18.64 C ATOM 0 H VAL A 63 2.428 14.093 5.886 1.00 14.65 H new ATOM 0 HA VAL A 63 4.835 12.773 5.311 1.00 15.17 H new ATOM 0 HB VAL A 63 2.271 12.444 3.733 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.056 10.090 3.682 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.276 11.181 2.981 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.491 10.548 4.630 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.577 10.892 5.538 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.022 11.334 6.478 1.00 18.64 H new ATOM 0 HG23 VAL A 63 1.761 12.549 6.161 1.00 18.64 H new ATOM 987 N HIS A 64 5.330 13.096 2.758 1.00 13.31 N ATOM 988 CA HIS A 64 5.876 13.613 1.479 1.00 10.78 C ATOM 989 C HIS A 64 5.776 12.508 0.428 1.00 14.19 C ATOM 990 O HIS A 64 6.239 11.401 0.638 1.00 11.59 O ATOM 991 CB HIS A 64 7.342 14.012 1.672 1.00 11.86 C ATOM 992 CG HIS A 64 7.720 15.046 0.648 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.201 15.036 -0.637 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.575 16.120 0.697 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.743 16.064 -1.305 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.589 16.762 -0.540 1.00 20.65 N ATOM 0 H HIS A 64 5.651 12.164 3.019 1.00 13.31 H new ATOM 0 HA HIS A 64 5.311 14.487 1.155 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.493 14.408 2.676 1.00 11.86 H new ATOM 0 HB3 HIS A 64 7.984 13.137 1.574 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.148 16.421 1.561 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.523 16.300 -2.336 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.128 17.586 -0.805 1.00 20.65 H new ATOM 1004 N LEU A 65 5.172 12.786 -0.698 1.00 12.93 N ATOM 1005 CA LEU A 65 5.045 11.736 -1.742 1.00 14.44 C ATOM 1006 C LEU A 65 6.398 11.485 -2.407 1.00 12.66 C ATOM 1007 O LEU A 65 6.511 10.672 -3.303 1.00 10.20 O ATOM 1008 CB LEU A 65 4.028 12.164 -2.795 1.00 14.94 C ATOM 1009 CG LEU A 65 4.627 13.253 -3.661 1.00 19.65 C ATOM 1010 CD1 LEU A 65 5.175 12.630 -4.947 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.546 14.275 -4.004 1.00 19.03 C ATOM 0 H LEU A 65 4.765 13.690 -0.936 1.00 12.93 H new ATOM 0 HA LEU A 65 4.705 10.815 -1.269 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.744 11.310 -3.410 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.120 12.526 -2.313 1.00 14.94 H new ATOM 0 HG LEU A 65 5.437 13.749 -3.125 1.00 19.65 H new ATOM 0 HD11 LEU A 65 5.607 13.410 -5.574 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.943 11.898 -4.698 1.00 15.75 H new ATOM 0 HD13 LEU A 65 4.366 12.138 -5.487 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.973 15.061 -4.627 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.738 13.782 -4.544 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.155 14.713 -3.086 1.00 19.03 H new ATOM 1023 N SER A 66 7.435 12.149 -1.971 1.00 13.51 N ATOM 1024 CA SER A 66 8.761 11.901 -2.583 1.00 10.39 C ATOM 1025 C SER A 66 9.070 10.413 -2.431 1.00 8.56 C ATOM 1026 O SER A 66 9.909 9.862 -3.115 1.00 11.70 O ATOM 1027 CB SER A 66 9.827 12.726 -1.861 1.00 12.88 C ATOM 1028 OG SER A 66 11.057 12.012 -1.867 1.00 14.72 O ATOM 0 H SER A 66 7.417 12.844 -1.225 1.00 13.51 H new ATOM 0 HA SER A 66 8.756 12.187 -3.635 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.951 13.691 -2.352 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.515 12.928 -0.836 1.00 12.88 H new ATOM 0 HG SER A 66 11.743 12.539 -1.406 1.00 14.72 H new ATOM 1034 N SER A 67 8.387 9.763 -1.523 1.00 7.98 N ATOM 1035 CA SER A 67 8.620 8.313 -1.301 1.00 8.20 C ATOM 1036 C SER A 67 7.533 7.486 -2.000 1.00 11.02 C ATOM 1037 O SER A 67 7.621 6.276 -2.077 1.00 11.45 O ATOM 1038 CB SER A 67 8.579 8.028 0.194 1.00 8.01 C ATOM 1039 OG SER A 67 9.408 6.911 0.485 1.00 11.22 O ATOM 0 H SER A 67 7.675 10.181 -0.925 1.00 7.98 H new ATOM 0 HA SER A 67 9.592 8.041 -1.712 1.00 8.20 H new ATOM 0 HB2 SER A 67 8.918 8.901 0.751 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.555 7.827 0.509 1.00 8.01 H new ATOM 0 HG SER A 67 8.849 6.140 0.717 1.00 11.22 H new ATOM 1045 N PHE A 68 6.504 8.118 -2.498 1.00 10.09 N ATOM 1046 CA PHE A 68 5.417 7.352 -3.174 1.00 11.79 C ATOM 1047 C PHE A 68 5.911 6.869 -4.536 1.00 12.69 C ATOM 1048 O PHE A 68 6.821 7.431 -5.111 1.00 14.25 O ATOM 1049 CB PHE A 68 4.194 8.257 -3.369 1.00 10.08 C ATOM 1050 CG PHE A 68 3.767 8.855 -2.046 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.407 8.492 -0.849 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.741 9.808 -2.024 1.00 10.16 C ATOM 1053 CE1 PHE A 68 4.019 9.083 0.357 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.354 10.394 -0.817 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.994 10.034 0.372 1.00 11.87 C ATOM 0 H PHE A 68 6.369 9.129 -2.466 1.00 10.09 H new ATOM 0 HA PHE A 68 5.140 6.496 -2.559 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.431 9.052 -4.076 1.00 10.08 H new ATOM 0 HB3 PHE A 68 3.373 7.683 -3.798 1.00 10.08 H new ATOM 0 HD1 PHE A 68 5.198 7.757 -0.861 1.00 12.12 H new ATOM 0 HD2 PHE A 68 2.248 10.090 -2.943 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.511 8.805 1.277 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.560 11.126 -0.802 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.696 10.491 1.304 1.00 11.87 H new ATOM 1065 N LYS A 69 5.318 5.833 -5.057 1.00 12.51 N ATOM 1066 CA LYS A 69 5.756 5.319 -6.385 1.00 15.38 C ATOM 1067 C LYS A 69 4.589 4.616 -7.076 1.00 15.02 C ATOM 1068 O LYS A 69 3.579 4.318 -6.470 1.00 15.36 O ATOM 1069 CB LYS A 69 6.901 4.322 -6.201 1.00 16.04 C ATOM 1070 CG LYS A 69 8.044 4.984 -5.428 1.00 20.35 C ATOM 1071 CD LYS A 69 9.330 4.182 -5.633 1.00 21.35 C ATOM 1072 CE LYS A 69 9.402 3.057 -4.599 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.228 1.940 -5.137 1.00 32.70 N ATOM 0 H LYS A 69 4.551 5.320 -4.623 1.00 12.51 H new ATOM 0 HA LYS A 69 6.094 6.156 -6.996 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.547 3.443 -5.663 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.257 3.979 -7.173 1.00 16.04 H new ATOM 0 HG2 LYS A 69 8.183 6.009 -5.771 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.799 5.034 -4.367 1.00 20.35 H new ATOM 0 HD2 LYS A 69 9.355 3.766 -6.640 1.00 21.35 H new ATOM 0 HD3 LYS A 69 10.197 4.835 -5.536 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.835 3.429 -3.671 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.399 2.701 -4.363 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.277 1.175 -4.434 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 9.797 1.579 -6.012 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 11.188 2.285 -5.341 1.00 32.70 H new ATOM 1087 N VAL A 70 4.730 4.339 -8.342 1.00 13.65 N ATOM 1088 CA VAL A 70 3.641 3.641 -9.080 1.00 13.49 C ATOM 1089 C VAL A 70 4.015 2.164 -9.215 1.00 11.85 C ATOM 1090 O VAL A 70 5.063 1.825 -9.727 1.00 12.13 O ATOM 1091 CB VAL A 70 3.469 4.260 -10.470 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.995 4.202 -10.875 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.937 5.719 -10.454 1.00 15.63 C ATOM 0 H VAL A 70 5.554 4.566 -8.898 1.00 13.65 H new ATOM 0 HA VAL A 70 2.702 3.742 -8.536 1.00 13.49 H new ATOM 0 HB VAL A 70 4.068 3.700 -11.188 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.872 4.643 -11.864 1.00 14.02 H new ATOM 0 HG12 VAL A 70 1.664 3.164 -10.896 1.00 14.02 H new ATOM 0 HG13 VAL A 70 1.397 4.758 -10.153 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.812 6.152 -11.446 1.00 15.63 H new ATOM 0 HG22 VAL A 70 3.344 6.283 -9.734 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.989 5.761 -10.170 1.00 15.63 H new ATOM 1103 N GLY A 71 3.175 1.283 -8.745 1.00 11.15 N ATOM 1104 CA GLY A 71 3.491 -0.173 -8.834 1.00 11.07 C ATOM 1105 C GLY A 71 3.666 -0.583 -10.297 1.00 12.15 C ATOM 1106 O GLY A 71 4.381 0.045 -11.051 1.00 12.70 O ATOM 0 H GLY A 71 2.283 1.507 -8.303 1.00 11.15 H new ATOM 0 HA2 GLY A 71 4.402 -0.390 -8.276 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.691 -0.756 -8.378 1.00 11.07 H new ATOM 1110 N GLN A 72 3.015 -1.637 -10.703 1.00 15.78 N ATOM 1111 CA GLN A 72 3.138 -2.095 -12.113 1.00 19.42 C ATOM 1112 C GLN A 72 2.106 -1.362 -12.961 1.00 16.97 C ATOM 1113 O GLN A 72 1.405 -1.953 -13.757 1.00 20.46 O ATOM 1114 CB GLN A 72 2.897 -3.609 -12.212 1.00 22.64 C ATOM 1115 CG GLN A 72 3.017 -4.259 -10.830 1.00 25.29 C ATOM 1116 CD GLN A 72 1.637 -4.315 -10.172 1.00 26.29 C ATOM 1117 OE1 GLN A 72 1.378 -5.170 -9.348 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.733 -3.433 -10.503 1.00 25.15 N ATOM 0 H GLN A 72 2.401 -2.202 -10.116 1.00 15.78 H new ATOM 0 HA GLN A 72 4.144 -1.879 -12.472 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.907 -3.800 -12.626 1.00 22.64 H new ATOM 0 HB3 GLN A 72 3.620 -4.055 -12.895 1.00 22.64 H new ATOM 0 HG2 GLN A 72 3.428 -5.264 -10.923 1.00 25.29 H new ATOM 0 HG3 GLN A 72 3.706 -3.689 -10.207 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.950 -2.715 -11.194 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -0.190 -3.462 -10.070 1.00 25.15 H new ATOM 1127 N PHE A 73 2.003 -0.075 -12.784 1.00 14.56 N ATOM 1128 CA PHE A 73 1.014 0.709 -13.565 1.00 14.60 C ATOM 1129 C PHE A 73 -0.378 0.486 -12.972 1.00 15.63 C ATOM 1130 O PHE A 73 -1.359 1.027 -13.442 1.00 17.80 O ATOM 1131 CB PHE A 73 1.038 0.245 -15.018 1.00 12.63 C ATOM 1132 CG PHE A 73 2.459 -0.061 -15.426 1.00 14.99 C ATOM 1133 CD1 PHE A 73 3.499 0.790 -15.032 1.00 16.27 C ATOM 1134 CD2 PHE A 73 2.738 -1.197 -16.195 1.00 19.79 C ATOM 1135 CE1 PHE A 73 4.817 0.505 -15.408 1.00 20.44 C ATOM 1136 CE2 PHE A 73 4.056 -1.482 -16.572 1.00 18.68 C ATOM 1137 CZ PHE A 73 5.096 -0.631 -16.178 1.00 17.88 C ATOM 0 H PHE A 73 2.565 0.468 -12.128 1.00 14.56 H new ATOM 0 HA PHE A 73 1.261 1.770 -13.523 1.00 14.60 H new ATOM 0 HB2 PHE A 73 0.415 -0.641 -15.138 1.00 12.63 H new ATOM 0 HB3 PHE A 73 0.621 1.017 -15.664 1.00 12.63 H new ATOM 0 HD1 PHE A 73 3.284 1.666 -14.438 1.00 16.27 H new ATOM 0 HD2 PHE A 73 1.936 -1.854 -16.498 1.00 19.79 H new ATOM 0 HE1 PHE A 73 5.619 1.161 -15.104 1.00 20.44 H new ATOM 0 HE2 PHE A 73 4.270 -2.358 -17.166 1.00 18.68 H new ATOM 0 HZ PHE A 73 6.113 -0.851 -16.468 1.00 17.88 H new ATOM 1147 N GLY A 74 -0.470 -0.308 -11.938 1.00 13.82 N ATOM 1148 CA GLY A 74 -1.797 -0.566 -11.312 1.00 13.44 C ATOM 1149 C GLY A 74 -2.320 0.722 -10.673 1.00 10.42 C ATOM 1150 O GLY A 74 -3.308 1.282 -11.103 1.00 13.62 O ATOM 0 H GLY A 74 0.317 -0.788 -11.501 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.502 -0.924 -12.063 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -1.709 -1.349 -10.558 1.00 13.44 H new ATOM 1154 N SER A 75 -1.666 1.196 -9.647 1.00 12.64 N ATOM 1155 CA SER A 75 -2.129 2.447 -8.982 1.00 12.47 C ATOM 1156 C SER A 75 -0.985 3.049 -8.164 1.00 12.47 C ATOM 1157 O SER A 75 0.045 2.435 -7.973 1.00 11.32 O ATOM 1158 CB SER A 75 -3.301 2.125 -8.055 1.00 11.21 C ATOM 1159 OG SER A 75 -4.281 3.150 -8.163 1.00 18.27 O ATOM 0 H SER A 75 -0.832 0.771 -9.241 1.00 12.64 H new ATOM 0 HA SER A 75 -2.447 3.163 -9.740 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.735 1.161 -8.320 1.00 11.21 H new ATOM 0 HB3 SER A 75 -2.954 2.045 -7.025 1.00 11.21 H new ATOM 0 HG SER A 75 -4.458 3.335 -9.109 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.160 4.248 -7.677 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.084 4.891 -6.869 1.00 12.18 C ATOM 1167 C LEU A 76 0.093 4.126 -5.557 1.00 12.07 C ATOM 1168 O LEU A 76 -0.757 3.354 -5.159 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.471 6.339 -6.565 1.00 11.99 C ATOM 1170 CG LEU A 76 0.702 7.263 -6.895 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.795 7.447 -8.411 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.481 8.622 -6.226 1.00 7.80 C ATOM 0 H LEU A 76 -2.002 4.810 -7.804 1.00 12.43 H new ATOM 0 HA LEU A 76 0.851 4.874 -7.430 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.346 6.623 -7.150 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -0.743 6.441 -5.514 1.00 11.99 H new ATOM 0 HG LEU A 76 1.629 6.823 -6.527 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.631 8.106 -8.647 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.951 6.478 -8.886 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.130 7.888 -8.781 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.316 9.283 -6.460 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.445 9.063 -6.595 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.414 8.489 -5.146 1.00 7.80 H new ATOM 1184 N MET A 77 1.190 4.335 -4.879 1.00 14.08 N ATOM 1185 CA MET A 77 1.420 3.619 -3.592 1.00 14.12 C ATOM 1186 C MET A 77 2.569 4.289 -2.836 1.00 11.37 C ATOM 1187 O MET A 77 3.644 4.485 -3.367 1.00 11.44 O ATOM 1188 CB MET A 77 1.781 2.160 -3.876 1.00 16.48 C ATOM 1189 CG MET A 77 0.506 1.364 -4.155 1.00 24.75 C ATOM 1190 SD MET A 77 0.739 -0.353 -3.634 1.00 35.11 S ATOM 1191 CE MET A 77 0.301 -0.123 -1.894 1.00 33.86 C ATOM 0 H MET A 77 1.936 4.971 -5.161 1.00 14.08 H new ATOM 0 HA MET A 77 0.514 3.658 -2.988 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.454 2.101 -4.731 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.310 1.733 -3.024 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.335 1.806 -3.621 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.265 1.403 -5.217 1.00 24.75 H new ATOM 0 HE1 MET A 77 0.378 -1.076 -1.370 1.00 33.86 H new ATOM 0 HE2 MET A 77 0.982 0.597 -1.439 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.721 0.249 -1.822 1.00 33.86 H new ATOM 1201 N ILE A 78 2.348 4.646 -1.602 1.00 11.78 N ATOM 1202 CA ILE A 78 3.428 5.309 -0.814 1.00 11.62 C ATOM 1203 C ILE A 78 4.691 4.453 -0.839 1.00 11.45 C ATOM 1204 O ILE A 78 5.790 4.959 -0.951 1.00 12.59 O ATOM 1205 CB ILE A 78 2.971 5.506 0.639 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.009 6.696 0.709 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.183 5.778 1.542 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.750 6.297 1.487 1.00 13.67 C ATOM 0 H ILE A 78 1.468 4.508 -1.104 1.00 11.78 H new ATOM 0 HA ILE A 78 3.642 6.281 -1.259 1.00 11.62 H new ATOM 0 HB ILE A 78 2.468 4.601 0.981 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.496 7.542 1.195 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.740 7.018 -0.297 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.847 5.916 2.570 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.869 4.932 1.495 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.694 6.679 1.203 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.068 7.146 1.535 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.259 5.465 0.983 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.027 5.996 2.498 1.00 13.67 H new ATOM 1220 N ASP A 79 4.546 3.165 -0.714 1.00 10.05 N ATOM 1221 CA ASP A 79 5.746 2.281 -0.703 1.00 14.79 C ATOM 1222 C ASP A 79 6.781 2.924 0.213 1.00 15.20 C ATOM 1223 O ASP A 79 7.892 3.212 -0.184 1.00 18.10 O ATOM 1224 CB ASP A 79 6.309 2.166 -2.114 1.00 12.21 C ATOM 1225 CG ASP A 79 6.750 0.725 -2.377 1.00 17.52 C ATOM 1226 OD1 ASP A 79 6.212 -0.164 -1.739 1.00 24.06 O ATOM 1227 OD2 ASP A 79 7.620 0.536 -3.212 1.00 21.87 O ATOM 0 H ASP A 79 3.651 2.685 -0.619 1.00 10.05 H new ATOM 0 HA ASP A 79 5.487 1.283 -0.350 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.555 2.464 -2.842 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.155 2.843 -2.235 1.00 12.21 H new ATOM 1232 N ARG A 80 6.381 3.199 1.423 1.00 17.08 N ATOM 1233 CA ARG A 80 7.278 3.883 2.395 1.00 17.14 C ATOM 1234 C ARG A 80 7.138 5.382 2.153 1.00 14.98 C ATOM 1235 O ARG A 80 7.425 5.869 1.081 1.00 16.47 O ATOM 1236 CB ARG A 80 8.733 3.448 2.188 1.00 17.78 C ATOM 1237 CG ARG A 80 9.535 3.720 3.462 1.00 22.76 C ATOM 1238 CD ARG A 80 10.346 2.477 3.831 1.00 28.43 C ATOM 1239 NE ARG A 80 11.726 2.602 3.284 1.00 33.10 N ATOM 1240 CZ ARG A 80 12.676 1.815 3.712 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.422 0.914 4.623 1.00 33.12 N ATOM 1242 NH2 ARG A 80 13.883 1.929 3.229 1.00 35.04 N ATOM 0 H ARG A 80 5.454 2.975 1.785 1.00 17.08 H new ATOM 0 HA ARG A 80 7.002 3.624 3.417 1.00 17.14 H new ATOM 0 HB2 ARG A 80 8.774 2.388 1.939 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.169 3.990 1.349 1.00 17.78 H new ATOM 0 HG2 ARG A 80 10.201 4.570 3.311 1.00 22.76 H new ATOM 0 HG3 ARG A 80 8.862 3.984 4.278 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.382 2.362 4.914 1.00 28.43 H new ATOM 0 HD3 ARG A 80 9.865 1.584 3.432 1.00 28.43 H new ATOM 0 HE ARG A 80 11.929 3.304 2.573 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.479 0.824 5.002 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.166 0.301 4.955 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.083 2.632 2.518 1.00 35.04 H new ATOM 0 HH22 ARG A 80 14.626 1.315 3.563 1.00 35.04 H new ATOM 1256 N LEU A 81 6.656 6.110 3.121 1.00 11.03 N ATOM 1257 CA LEU A 81 6.452 7.569 2.922 1.00 11.27 C ATOM 1258 C LEU A 81 7.652 8.370 3.424 1.00 15.61 C ATOM 1259 O LEU A 81 8.337 7.983 4.350 1.00 18.56 O ATOM 1260 CB LEU A 81 5.198 8.008 3.682 1.00 13.62 C ATOM 1261 CG LEU A 81 5.508 8.170 5.174 1.00 12.84 C ATOM 1262 CD1 LEU A 81 6.123 9.551 5.428 1.00 11.44 C ATOM 1263 CD2 LEU A 81 4.206 8.040 5.970 1.00 18.72 C ATOM 0 H LEU A 81 6.395 5.756 4.041 1.00 11.03 H new ATOM 0 HA LEU A 81 6.337 7.759 1.855 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.830 8.950 3.276 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.406 7.271 3.546 1.00 13.62 H new ATOM 0 HG LEU A 81 6.214 7.400 5.486 1.00 12.84 H new ATOM 0 HD11 LEU A 81 6.342 9.662 6.490 1.00 11.44 H new ATOM 0 HD12 LEU A 81 7.045 9.650 4.855 1.00 11.44 H new ATOM 0 HD13 LEU A 81 5.420 10.325 5.120 1.00 11.44 H new ATOM 0 HD21 LEU A 81 4.417 8.154 7.033 1.00 18.72 H new ATOM 0 HD22 LEU A 81 3.507 8.814 5.654 1.00 18.72 H new ATOM 0 HD23 LEU A 81 3.766 7.059 5.790 1.00 18.72 H new ATOM 1275 N ARG A 82 7.874 9.515 2.841 1.00 13.37 N ATOM 1276 CA ARG A 82 8.985 10.391 3.298 1.00 12.72 C ATOM 1277 C ARG A 82 8.360 11.491 4.154 1.00 13.33 C ATOM 1278 O ARG A 82 7.853 12.471 3.649 1.00 13.27 O ATOM 1279 CB ARG A 82 9.695 11.008 2.090 1.00 13.85 C ATOM 1280 CG ARG A 82 11.065 10.350 1.914 1.00 16.22 C ATOM 1281 CD ARG A 82 12.090 11.405 1.488 1.00 16.62 C ATOM 1282 NE ARG A 82 12.873 11.846 2.677 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.990 12.505 2.519 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.428 12.777 1.319 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.670 12.891 3.564 1.00 16.89 N ATOM 0 H ARG A 82 7.328 9.883 2.062 1.00 13.37 H new ATOM 0 HA ARG A 82 9.721 9.824 3.868 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.094 10.869 1.191 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.811 12.082 2.232 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.377 9.881 2.847 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.007 9.561 1.164 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.758 10.994 0.731 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.584 12.258 1.036 1.00 16.62 H new ATOM 0 HE ARG A 82 12.536 11.633 3.616 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.898 12.475 0.502 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.300 13.292 1.199 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.329 12.678 4.501 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.542 13.406 3.443 1.00 16.89 H new ATOM 1299 N LEU A 83 8.347 11.314 5.444 1.00 13.53 N ATOM 1300 CA LEU A 83 7.705 12.327 6.322 1.00 13.86 C ATOM 1301 C LEU A 83 8.573 13.571 6.459 1.00 13.02 C ATOM 1302 O LEU A 83 9.785 13.523 6.381 1.00 14.40 O ATOM 1303 CB LEU A 83 7.466 11.725 7.700 1.00 9.93 C ATOM 1304 CG LEU A 83 6.367 12.499 8.404 1.00 8.07 C ATOM 1305 CD1 LEU A 83 5.021 11.820 8.140 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.650 12.510 9.909 1.00 10.58 C ATOM 0 H LEU A 83 8.753 10.513 5.927 1.00 13.53 H new ATOM 0 HA LEU A 83 6.758 12.619 5.869 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.185 10.676 7.607 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.383 11.758 8.288 1.00 9.93 H new ATOM 0 HG LEU A 83 6.335 13.522 8.030 1.00 8.07 H new ATOM 0 HD11 LEU A 83 4.229 12.374 8.644 1.00 8.88 H new ATOM 0 HD12 LEU A 83 4.826 11.804 7.068 1.00 8.88 H new ATOM 0 HD13 LEU A 83 5.048 10.799 8.520 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.865 13.064 10.423 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.675 11.486 10.282 1.00 10.58 H new ATOM 0 HD23 LEU A 83 7.612 12.987 10.095 1.00 10.58 H new ATOM 1318 N VAL A 84 7.938 14.687 6.665 1.00 11.81 N ATOM 1319 CA VAL A 84 8.661 15.965 6.817 1.00 12.86 C ATOM 1320 C VAL A 84 7.865 16.841 7.791 1.00 14.98 C ATOM 1321 O VAL A 84 6.685 16.631 7.969 1.00 13.59 O ATOM 1322 CB VAL A 84 8.731 16.638 5.446 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.422 15.701 4.454 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.313 16.945 4.955 1.00 17.34 C ATOM 0 H VAL A 84 6.923 14.763 6.735 1.00 11.81 H new ATOM 0 HA VAL A 84 9.670 15.812 7.199 1.00 12.86 H new ATOM 0 HB VAL A 84 9.297 17.566 5.525 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.473 16.180 3.476 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.431 15.482 4.803 1.00 17.65 H new ATOM 0 HG13 VAL A 84 8.856 14.773 4.375 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.362 17.425 3.978 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.747 16.017 4.876 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.820 17.612 5.662 1.00 17.34 H new ATOM 1334 N PRO A 85 8.516 17.805 8.380 1.00 18.65 N ATOM 1335 CA PRO A 85 7.861 18.730 9.321 1.00 22.41 C ATOM 1336 C PRO A 85 6.786 19.554 8.598 1.00 25.70 C ATOM 1337 O PRO A 85 6.919 19.878 7.434 1.00 22.08 O ATOM 1338 CB PRO A 85 9.011 19.588 9.852 1.00 21.19 C ATOM 1339 CG PRO A 85 10.145 19.450 8.824 1.00 18.95 C ATOM 1340 CD PRO A 85 9.942 18.077 8.159 1.00 20.63 C ATOM 0 HA PRO A 85 7.333 18.230 10.133 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.705 20.629 9.960 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.332 19.247 10.836 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.104 20.252 8.087 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.120 19.510 9.307 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.187 18.104 7.097 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.573 17.313 8.613 1.00 20.63 H new ATOM 1348 N ALA A 86 5.711 19.877 9.272 1.00 31.74 N ATOM 1349 CA ALA A 86 4.616 20.657 8.619 1.00 39.94 C ATOM 1350 C ALA A 86 4.986 22.141 8.598 1.00 46.96 C ATOM 1351 O ALA A 86 5.109 22.775 9.627 1.00 49.29 O ATOM 1352 CB ALA A 86 3.317 20.467 9.409 1.00 39.70 C ATOM 0 H ALA A 86 5.544 19.634 10.248 1.00 31.74 H new ATOM 0 HA ALA A 86 4.478 20.304 7.597 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.516 21.035 8.935 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.052 19.410 9.425 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.457 20.821 10.430 1.00 39.70 H new ATOM 1358 N LYS A 87 5.166 22.701 7.434 1.00 51.78 N ATOM 1359 CA LYS A 87 5.528 24.144 7.350 1.00 55.12 C ATOM 1360 C LYS A 87 4.470 24.889 6.533 1.00 55.82 C ATOM 1361 O LYS A 87 3.483 24.268 6.173 1.00 58.05 O ATOM 1362 CB LYS A 87 6.892 24.289 6.672 1.00 52.96 C ATOM 1363 CG LYS A 87 7.640 25.480 7.276 1.00 55.49 C ATOM 1364 CD LYS A 87 8.033 25.158 8.719 1.00 56.64 C ATOM 1365 CE LYS A 87 9.186 26.065 9.150 1.00 58.91 C ATOM 1366 NZ LYS A 87 9.321 26.028 10.634 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.665 26.067 6.282 1.00 57.66 O ATOM 0 H LYS A 87 5.078 22.222 6.538 1.00 51.78 H new ATOM 0 HA LYS A 87 5.575 24.566 8.354 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.474 23.377 6.803 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.763 24.433 5.599 1.00 52.96 H new ATOM 0 HG2 LYS A 87 8.530 25.701 6.686 1.00 55.49 H new ATOM 0 HG3 LYS A 87 7.011 26.370 7.249 1.00 55.49 H new ATOM 0 HD2 LYS A 87 7.178 25.300 9.380 1.00 56.64 H new ATOM 0 HD3 LYS A 87 8.329 24.112 8.801 1.00 56.64 H new ATOM 0 HE2 LYS A 87 10.114 25.738 8.682 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.003 27.086 8.816 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 10.105 26.645 10.927 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 8.438 26.360 11.071 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 9.514 25.053 10.941 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 2.890 18.912 -4.443 1.00 42.32 N ATOM 1383 CA MET B 1 2.092 17.788 -3.877 1.00 40.89 C ATOM 1384 C MET B 1 2.095 16.616 -4.859 1.00 34.75 C ATOM 1385 O MET B 1 2.940 16.522 -5.726 1.00 33.97 O ATOM 1386 CB MET B 1 0.648 18.251 -3.643 1.00 48.45 C ATOM 1387 CG MET B 1 -0.088 18.357 -4.984 1.00 56.13 C ATOM 1388 SD MET B 1 -0.790 20.016 -5.152 1.00 64.91 S ATOM 1389 CE MET B 1 0.208 20.543 -6.567 1.00 63.43 C ATOM 0 H1 MET B 1 3.618 19.200 -3.759 1.00 42.32 H new ATOM 0 H2 MET B 1 3.347 18.604 -5.325 1.00 42.32 H new ATOM 0 H3 MET B 1 2.263 19.718 -4.641 1.00 42.32 H new ATOM 0 HA MET B 1 2.531 17.473 -2.931 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.132 17.547 -2.989 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.644 19.217 -3.138 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.599 18.156 -5.806 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.878 17.608 -5.038 1.00 56.13 H new ATOM 0 HE1 MET B 1 0.520 21.578 -6.427 1.00 63.43 H new ATOM 0 HE2 MET B 1 1.089 19.906 -6.648 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.383 20.463 -7.479 1.00 63.43 H new ATOM 1401 N ILE B 2 1.144 15.732 -4.738 1.00 28.59 N ATOM 1402 CA ILE B 2 1.083 14.576 -5.677 1.00 24.58 C ATOM 1403 C ILE B 2 0.376 15.034 -6.945 1.00 19.29 C ATOM 1404 O ILE B 2 -0.810 14.849 -7.112 1.00 19.53 O ATOM 1405 CB ILE B 2 0.313 13.410 -5.056 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.181 13.610 -3.537 1.00 28.92 C ATOM 1407 CG2 ILE B 2 1.071 12.113 -5.350 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.140 12.279 -2.856 1.00 33.80 C ATOM 0 H ILE B 2 0.408 15.759 -4.032 1.00 28.59 H new ATOM 0 HA ILE B 2 2.094 14.234 -5.899 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.688 13.360 -5.483 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.108 14.019 -3.135 1.00 28.92 H new ATOM 0 HG13 ILE B 2 -0.605 14.334 -3.325 1.00 28.92 H new ATOM 0 HG21 ILE B 2 0.534 11.271 -4.913 1.00 23.06 H new ATOM 0 HG22 ILE B 2 1.149 11.974 -6.428 1.00 23.06 H new ATOM 0 HG23 ILE B 2 2.070 12.170 -4.918 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.231 12.433 -1.781 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.079 11.887 -3.247 1.00 33.80 H new ATOM 0 HD13 ILE B 2 0.661 11.567 -3.054 1.00 33.80 H new ATOM 1420 N LYS B 3 1.098 15.660 -7.823 1.00 18.14 N ATOM 1421 CA LYS B 3 0.477 16.178 -9.070 1.00 16.66 C ATOM 1422 C LYS B 3 0.030 15.040 -9.982 1.00 14.94 C ATOM 1423 O LYS B 3 0.437 13.903 -9.845 1.00 13.94 O ATOM 1424 CB LYS B 3 1.487 17.054 -9.815 1.00 16.94 C ATOM 1425 CG LYS B 3 1.515 18.451 -9.193 1.00 17.85 C ATOM 1426 CD LYS B 3 2.441 19.355 -10.011 1.00 19.63 C ATOM 1427 CE LYS B 3 1.909 20.789 -9.986 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.529 21.568 -11.095 1.00 32.72 N ATOM 0 H LYS B 3 2.098 15.837 -7.732 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.401 16.762 -8.795 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.479 16.604 -9.767 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.218 17.120 -10.869 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.509 18.870 -9.168 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.862 18.395 -8.161 1.00 17.85 H new ATOM 0 HD2 LYS B 3 3.451 19.324 -9.602 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.502 18.996 -11.039 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.824 20.788 -10.090 1.00 26.28 H new ATOM 0 HE3 LYS B 3 2.136 21.256 -9.028 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.168 22.543 -11.079 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 3.562 21.579 -10.976 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.290 21.126 -12.006 1.00 32.72 H new ATOM 1442 N VAL B 4 -0.809 15.366 -10.924 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.316 14.354 -11.887 1.00 12.99 C ATOM 1444 C VAL B 4 -2.160 15.070 -12.940 1.00 14.26 C ATOM 1445 O VAL B 4 -2.520 16.220 -12.790 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.167 13.308 -11.147 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -2.947 13.999 -10.037 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.151 12.632 -12.115 1.00 10.41 C ATOM 0 H VAL B 4 -1.170 16.309 -11.068 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.482 13.842 -12.367 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.509 12.546 -10.728 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.553 13.265 -9.507 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.251 14.466 -9.340 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.595 14.762 -10.468 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.745 11.895 -11.574 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -3.811 13.384 -12.547 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -2.596 12.137 -12.911 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.472 14.395 -14.002 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.289 15.021 -15.074 1.00 10.51 C ATOM 1460 C GLU B 5 -4.282 14.004 -15.606 1.00 10.00 C ATOM 1461 O GLU B 5 -3.927 13.036 -16.245 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.377 15.489 -16.206 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.783 16.846 -15.841 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.803 17.287 -16.930 1.00 18.63 C ATOM 1465 OE1 GLU B 5 0.234 16.657 -17.056 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.106 18.248 -17.618 1.00 19.38 O ATOM 0 H GLU B 5 -2.195 13.429 -14.178 1.00 9.27 H new ATOM 0 HA GLU B 5 -3.827 15.878 -14.669 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.581 14.763 -16.372 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.940 15.563 -17.136 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.577 17.584 -15.732 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.271 16.784 -14.881 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.529 14.221 -15.348 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.555 13.274 -15.845 1.00 10.60 C ATOM 1475 C ILE B 6 -6.716 13.488 -17.357 1.00 10.16 C ATOM 1476 O ILE B 6 -7.516 14.291 -17.794 1.00 11.64 O ATOM 1477 CB ILE B 6 -7.872 13.548 -15.113 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -7.690 13.237 -13.618 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -8.982 12.681 -15.704 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -7.859 11.737 -13.348 1.00 13.81 C ATOM 0 H ILE B 6 -5.887 15.013 -14.814 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.261 12.241 -15.660 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.150 14.595 -15.231 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -6.701 13.560 -13.293 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.418 13.800 -13.034 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -9.917 12.880 -15.180 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.102 12.915 -16.762 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -8.720 11.629 -15.593 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -7.726 11.542 -12.284 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -8.857 11.423 -13.653 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -7.114 11.179 -13.915 1.00 13.81 H new ATOM 1492 N LYS B 7 -5.947 12.785 -18.162 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.042 12.960 -19.638 1.00 11.59 C ATOM 1494 C LYS B 7 -7.509 13.073 -20.049 1.00 12.98 C ATOM 1495 O LYS B 7 -8.388 12.685 -19.305 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.404 11.745 -20.317 1.00 12.52 C ATOM 1497 CG LYS B 7 -3.961 11.605 -19.849 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.013 12.101 -20.945 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.031 13.630 -20.987 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.536 14.084 -22.314 1.00 25.43 N ATOM 0 H LYS B 7 -5.259 12.098 -17.853 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.521 13.869 -19.940 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.966 10.843 -20.075 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.437 11.861 -21.400 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.808 12.179 -18.935 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -3.745 10.563 -19.612 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -2.001 11.744 -20.753 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.315 11.697 -21.911 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -3.667 14.019 -20.191 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.028 14.021 -20.814 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -4.202 14.872 -22.181 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.737 14.401 -22.900 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.022 13.296 -22.788 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.733 13.590 -21.230 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.091 13.748 -21.764 1.00 11.93 C ATOM 1516 C PRO B 8 -9.641 12.377 -22.144 1.00 10.20 C ATOM 1517 O PRO B 8 -10.821 12.206 -22.374 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.905 14.658 -22.983 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.422 14.529 -23.396 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.664 14.049 -22.143 1.00 13.61 C ATOM 0 HA PRO B 8 -9.803 14.176 -21.058 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.563 14.357 -23.798 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.152 15.691 -22.739 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.307 13.820 -24.216 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.031 15.485 -23.745 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.970 13.243 -22.381 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.078 14.854 -21.699 1.00 13.61 H new ATOM 1528 N SER B 9 -8.787 11.390 -22.181 1.00 10.65 N ATOM 1529 CA SER B 9 -9.252 10.018 -22.511 1.00 10.83 C ATOM 1530 C SER B 9 -9.453 9.241 -21.205 1.00 10.94 C ATOM 1531 O SER B 9 -9.708 8.054 -21.209 1.00 13.16 O ATOM 1532 CB SER B 9 -8.203 9.313 -23.372 1.00 13.01 C ATOM 1533 OG SER B 9 -8.738 8.086 -23.852 1.00 15.52 O ATOM 0 H SER B 9 -7.788 11.477 -21.996 1.00 10.65 H new ATOM 0 HA SER B 9 -10.190 10.066 -23.064 1.00 10.83 H new ATOM 0 HB2 SER B 9 -7.915 9.950 -24.209 1.00 13.01 H new ATOM 0 HB3 SER B 9 -7.302 9.127 -22.788 1.00 13.01 H new ATOM 0 HG SER B 9 -9.324 7.696 -23.170 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.334 9.908 -20.084 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.511 9.217 -18.778 1.00 11.55 C ATOM 1541 C GLN B 10 -10.524 9.983 -17.925 1.00 13.72 C ATOM 1542 O GLN B 10 -10.644 9.758 -16.738 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.175 9.177 -18.043 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.059 8.885 -19.041 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.097 7.408 -19.439 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -7.970 6.676 -19.017 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.183 6.938 -20.242 1.00 4.80 N ATOM 0 H GLN B 10 -9.121 10.904 -20.021 1.00 10.02 H new ATOM 0 HA GLN B 10 -9.870 8.203 -18.953 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -7.993 10.129 -17.544 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.196 8.410 -17.269 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.175 9.513 -19.925 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.092 9.128 -18.601 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.450 7.553 -20.596 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -6.201 5.956 -20.516 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.244 10.899 -18.515 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.233 11.689 -17.726 1.00 18.95 C ATOM 1558 C ALA B 11 -13.581 10.967 -17.688 1.00 20.75 C ATOM 1559 O ALA B 11 -14.622 11.587 -17.602 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.412 13.065 -18.367 1.00 17.72 C ATOM 0 H ALA B 11 -11.191 11.134 -19.506 1.00 15.28 H new ATOM 0 HA ALA B 11 -11.863 11.801 -16.707 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.135 13.643 -17.791 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.456 13.588 -18.379 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -12.774 12.946 -19.388 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.575 9.665 -17.745 1.00 22.50 N ATOM 1567 CA GLN B 12 -14.859 8.916 -17.703 1.00 25.43 C ATOM 1568 C GLN B 12 -14.669 7.616 -16.932 1.00 22.80 C ATOM 1569 O GLN B 12 -13.846 6.790 -17.275 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.318 8.611 -19.121 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.144 9.788 -19.618 1.00 42.11 C ATOM 1572 CD GLN B 12 -16.467 9.607 -21.102 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -16.461 10.558 -21.857 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -16.750 8.416 -21.554 1.00 47.90 N ATOM 0 H GLN B 12 -12.737 9.088 -17.819 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.615 9.522 -17.203 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -14.459 8.448 -19.772 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.910 7.696 -19.140 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.067 9.865 -19.043 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -15.596 10.718 -19.467 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.755 7.618 -20.919 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -16.966 8.284 -22.542 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.422 7.431 -15.887 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.283 6.189 -15.087 1.00 20.51 C ATOM 1585 C PHE B 13 -15.977 5.022 -15.789 1.00 18.83 C ATOM 1586 O PHE B 13 -16.509 5.156 -16.874 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.891 6.393 -13.697 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.320 6.900 -13.793 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -17.977 7.002 -15.031 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.991 7.264 -12.620 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.294 7.468 -15.087 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.307 7.728 -12.679 1.00 14.07 C ATOM 1593 CZ PHE B 13 -19.957 7.829 -13.911 1.00 18.48 C ATOM 0 H PHE B 13 -16.128 8.087 -15.553 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.223 5.957 -14.986 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.872 5.452 -13.147 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.287 7.104 -13.133 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -17.465 6.720 -15.939 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.490 7.186 -11.667 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -19.799 7.549 -16.038 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.822 8.009 -11.772 1.00 14.07 H new ATOM 0 HZ PHE B 13 -20.975 8.187 -13.955 1.00 18.48 H new ATOM 1603 N THR B 14 -15.980 3.878 -15.171 1.00 14.89 N ATOM 1604 CA THR B 14 -16.645 2.698 -15.785 1.00 13.37 C ATOM 1605 C THR B 14 -17.006 1.701 -14.687 1.00 11.97 C ATOM 1606 O THR B 14 -16.282 1.530 -13.727 1.00 10.76 O ATOM 1607 CB THR B 14 -15.709 2.029 -16.790 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.384 2.948 -17.823 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.400 0.804 -17.389 1.00 9.24 C ATOM 0 H THR B 14 -15.549 3.708 -14.263 1.00 14.89 H new ATOM 0 HA THR B 14 -17.546 3.024 -16.304 1.00 13.37 H new ATOM 0 HB THR B 14 -14.794 1.719 -16.285 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.020 3.694 -17.809 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.734 0.325 -18.107 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.644 0.099 -16.594 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.315 1.113 -17.894 1.00 9.24 H new ATOM 1617 N THR B 15 -18.120 1.046 -14.821 1.00 13.20 N ATOM 1618 CA THR B 15 -18.534 0.063 -13.783 1.00 12.54 C ATOM 1619 C THR B 15 -17.760 -1.241 -13.975 1.00 14.34 C ATOM 1620 O THR B 15 -17.801 -1.851 -15.025 1.00 17.35 O ATOM 1621 CB THR B 15 -20.035 -0.208 -13.911 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.612 0.742 -14.795 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.695 -0.095 -12.536 1.00 8.30 C ATOM 0 H THR B 15 -18.765 1.147 -15.605 1.00 13.20 H new ATOM 0 HA THR B 15 -18.320 0.467 -12.793 1.00 12.54 H new ATOM 0 HB THR B 15 -20.191 -1.213 -14.304 1.00 11.88 H new ATOM 0 HG1 THR B 15 -20.595 0.390 -15.710 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.764 -0.288 -12.628 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.252 -0.825 -11.859 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.541 0.909 -12.140 1.00 8.30 H new ATOM 1631 N ARG B 16 -17.055 -1.674 -12.967 1.00 15.28 N ATOM 1632 CA ARG B 16 -16.279 -2.939 -13.089 1.00 15.21 C ATOM 1633 C ARG B 16 -16.529 -3.806 -11.855 1.00 16.91 C ATOM 1634 O ARG B 16 -16.494 -3.334 -10.736 1.00 17.29 O ATOM 1635 CB ARG B 16 -14.788 -2.615 -13.189 1.00 15.77 C ATOM 1636 CG ARG B 16 -14.357 -2.635 -14.656 1.00 21.61 C ATOM 1637 CD ARG B 16 -12.947 -3.216 -14.767 1.00 24.15 C ATOM 1638 NE ARG B 16 -12.404 -2.948 -16.128 1.00 30.82 N ATOM 1639 CZ ARG B 16 -11.126 -3.085 -16.363 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -10.318 -3.456 -15.407 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -10.656 -2.849 -17.557 1.00 25.71 N ATOM 0 H ARG B 16 -16.983 -1.206 -12.064 1.00 15.28 H new ATOM 0 HA ARG B 16 -16.594 -3.476 -13.984 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -14.588 -1.636 -12.754 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -14.208 -3.341 -12.619 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -15.055 -3.232 -15.243 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -14.379 -1.625 -15.066 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -12.299 -2.772 -14.012 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -12.969 -4.289 -14.577 1.00 24.15 H new ATOM 0 HE ARG B 16 -13.031 -2.657 -16.878 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -10.684 -3.640 -14.473 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -9.321 -3.562 -15.594 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -11.286 -2.558 -18.305 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -9.659 -2.955 -17.743 1.00 25.71 H new ATOM 1655 N SER B 17 -16.784 -5.070 -12.048 1.00 22.35 N ATOM 1656 CA SER B 17 -17.037 -5.962 -10.882 1.00 28.62 C ATOM 1657 C SER B 17 -15.983 -5.700 -9.805 1.00 31.32 C ATOM 1658 O SER B 17 -14.881 -6.208 -9.860 1.00 33.90 O ATOM 1659 CB SER B 17 -16.958 -7.423 -11.327 1.00 30.78 C ATOM 1660 OG SER B 17 -17.412 -7.531 -12.670 1.00 38.77 O ATOM 0 H SER B 17 -16.828 -5.523 -12.961 1.00 22.35 H new ATOM 0 HA SER B 17 -18.030 -5.760 -10.479 1.00 28.62 H new ATOM 0 HB2 SER B 17 -15.933 -7.784 -11.248 1.00 30.78 H new ATOM 0 HB3 SER B 17 -17.567 -8.047 -10.674 1.00 30.78 H new ATOM 0 HG SER B 17 -17.361 -8.466 -12.958 1.00 38.77 H new ATOM 1666 N GLY B 18 -16.318 -4.909 -8.825 1.00 32.28 N ATOM 1667 CA GLY B 18 -15.346 -4.606 -7.737 1.00 32.82 C ATOM 1668 C GLY B 18 -15.682 -5.441 -6.501 1.00 34.58 C ATOM 1669 O GLY B 18 -16.737 -6.035 -6.410 1.00 34.04 O ATOM 0 H GLY B 18 -17.227 -4.457 -8.730 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -14.332 -4.824 -8.071 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -15.379 -3.545 -7.491 1.00 32.82 H new ATOM 1673 N VAL B 19 -14.795 -5.485 -5.545 1.00 36.31 N ATOM 1674 CA VAL B 19 -15.067 -6.273 -4.310 1.00 38.94 C ATOM 1675 C VAL B 19 -14.525 -5.509 -3.105 1.00 39.44 C ATOM 1676 O VAL B 19 -13.346 -5.232 -3.011 1.00 39.08 O ATOM 1677 CB VAL B 19 -14.382 -7.638 -4.400 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -15.167 -8.659 -3.574 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -14.334 -8.092 -5.862 1.00 39.95 C ATOM 0 H VAL B 19 -13.893 -5.009 -5.566 1.00 36.31 H new ATOM 0 HA VAL B 19 -16.141 -6.423 -4.203 1.00 38.94 H new ATOM 0 HB VAL B 19 -13.367 -7.560 -4.011 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -14.679 -9.631 -3.638 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -15.199 -8.337 -2.533 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -16.183 -8.737 -3.961 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -13.846 -9.065 -5.925 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -15.349 -8.169 -6.252 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -13.773 -7.366 -6.450 1.00 39.95 H new ATOM 1689 N SER B 20 -15.381 -5.155 -2.189 1.00 41.09 N ATOM 1690 CA SER B 20 -14.923 -4.395 -0.996 1.00 44.70 C ATOM 1691 C SER B 20 -13.840 -5.189 -0.262 1.00 47.21 C ATOM 1692 O SER B 20 -14.119 -5.946 0.647 1.00 47.07 O ATOM 1693 CB SER B 20 -16.108 -4.156 -0.061 1.00 44.37 C ATOM 1694 OG SER B 20 -17.217 -3.692 -0.818 1.00 46.57 O ATOM 0 H SER B 20 -16.380 -5.360 -2.216 1.00 41.09 H new ATOM 0 HA SER B 20 -14.511 -3.437 -1.313 1.00 44.70 H new ATOM 0 HB2 SER B 20 -16.368 -5.078 0.458 1.00 44.37 H new ATOM 0 HB3 SER B 20 -15.842 -3.424 0.702 1.00 44.37 H new ATOM 0 HG SER B 20 -17.979 -3.539 -0.221 1.00 46.57 H new ATOM 1700 N ARG B 21 -12.604 -5.020 -0.648 1.00 50.78 N ATOM 1701 CA ARG B 21 -11.498 -5.764 0.032 1.00 55.55 C ATOM 1702 C ARG B 21 -11.882 -7.238 0.179 1.00 55.58 C ATOM 1703 O ARG B 21 -11.813 -7.804 1.252 1.00 54.47 O ATOM 1704 CB ARG B 21 -11.258 -5.163 1.415 1.00 59.49 C ATOM 1705 CG ARG B 21 -10.748 -3.728 1.267 1.00 60.53 C ATOM 1706 CD ARG B 21 -9.594 -3.493 2.245 1.00 64.36 C ATOM 1707 NE ARG B 21 -8.297 -3.631 1.525 1.00 68.68 N ATOM 1708 CZ ARG B 21 -7.193 -3.190 2.069 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -7.222 -2.624 3.246 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -6.060 -3.315 1.434 1.00 71.56 N ATOM 0 H ARG B 21 -12.310 -4.401 -1.403 1.00 50.78 H new ATOM 0 HA ARG B 21 -10.590 -5.685 -0.565 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -12.182 -5.174 1.993 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -10.532 -5.763 1.963 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -10.413 -3.553 0.244 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -11.555 -3.022 1.463 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -9.673 -2.499 2.686 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -9.646 -4.210 3.064 1.00 64.36 H new ATOM 0 HE ARG B 21 -8.270 -4.071 0.605 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -8.107 -2.525 3.743 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -6.359 -2.281 3.668 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -6.037 -3.756 0.515 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -5.198 -2.971 1.857 1.00 71.56 H new ATOM 1724 N GLN B 22 -12.283 -7.866 -0.892 1.00 57.32 N ATOM 1725 CA GLN B 22 -12.667 -9.304 -0.817 1.00 58.73 C ATOM 1726 C GLN B 22 -13.771 -9.492 0.227 1.00 58.18 C ATOM 1727 O GLN B 22 -14.040 -10.592 0.668 1.00 59.52 O ATOM 1728 CB GLN B 22 -11.447 -10.139 -0.422 1.00 62.32 C ATOM 1729 CG GLN B 22 -10.534 -10.317 -1.636 1.00 65.12 C ATOM 1730 CD GLN B 22 -9.406 -11.290 -1.289 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -9.240 -12.303 -1.939 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -8.617 -11.024 -0.284 1.00 65.96 N ATOM 0 H GLN B 22 -12.361 -7.445 -1.818 1.00 57.32 H new ATOM 0 HA GLN B 22 -13.033 -9.629 -1.791 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -10.904 -9.649 0.386 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -11.765 -11.112 -0.047 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -11.107 -10.695 -2.483 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -10.119 -9.355 -1.936 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -8.756 -10.174 0.262 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -7.862 -11.666 -0.045 1.00 65.96 H new ATOM 1741 N GLY B 23 -14.416 -8.430 0.621 1.00 55.49 N ATOM 1742 CA GLY B 23 -15.504 -8.553 1.630 1.00 50.89 C ATOM 1743 C GLY B 23 -16.843 -8.695 0.909 1.00 48.17 C ATOM 1744 O GLY B 23 -17.592 -9.623 1.139 1.00 50.32 O ATOM 0 H GLY B 23 -14.237 -7.483 0.288 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -15.328 -9.418 2.269 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -15.517 -7.676 2.277 1.00 50.89 H new ATOM 1748 N LYS B 24 -17.146 -7.781 0.029 1.00 44.99 N ATOM 1749 CA LYS B 24 -18.431 -7.858 -0.718 1.00 42.22 C ATOM 1750 C LYS B 24 -18.201 -7.389 -2.157 1.00 42.41 C ATOM 1751 O LYS B 24 -17.339 -6.571 -2.407 1.00 42.26 O ATOM 1752 CB LYS B 24 -19.470 -6.958 -0.046 1.00 40.33 C ATOM 1753 CG LYS B 24 -19.774 -7.487 1.357 1.00 40.86 C ATOM 1754 CD LYS B 24 -20.690 -8.708 1.255 1.00 37.00 C ATOM 1755 CE LYS B 24 -21.966 -8.459 2.062 1.00 36.58 C ATOM 1756 NZ LYS B 24 -23.152 -8.849 1.248 1.00 34.22 N ATOM 0 H LYS B 24 -16.557 -6.982 -0.205 1.00 44.99 H new ATOM 0 HA LYS B 24 -18.794 -8.886 -0.719 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -19.097 -5.935 0.012 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -20.383 -6.931 -0.641 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -18.848 -7.756 1.864 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -20.251 -6.710 1.955 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -20.939 -8.903 0.212 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -20.177 -9.593 1.631 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -21.942 -9.034 2.988 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -22.033 -7.408 2.342 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -24.020 -8.680 1.796 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -23.177 -8.282 0.377 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -23.088 -9.858 1.003 1.00 34.22 H new ATOM 1770 N PRO B 25 -18.980 -7.921 -3.061 1.00 42.36 N ATOM 1771 CA PRO B 25 -18.885 -7.575 -4.488 1.00 40.32 C ATOM 1772 C PRO B 25 -19.533 -6.214 -4.754 1.00 36.91 C ATOM 1773 O PRO B 25 -20.651 -5.960 -4.352 1.00 36.63 O ATOM 1774 CB PRO B 25 -19.652 -8.697 -5.185 1.00 42.73 C ATOM 1775 CG PRO B 25 -20.599 -9.295 -4.125 1.00 43.71 C ATOM 1776 CD PRO B 25 -20.027 -8.911 -2.749 1.00 44.10 C ATOM 0 HA PRO B 25 -17.857 -7.491 -4.841 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -20.214 -8.314 -6.037 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -18.969 -9.455 -5.569 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -21.610 -8.905 -4.246 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -20.661 -10.378 -4.229 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -20.795 -8.489 -2.101 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -19.615 -9.778 -2.232 1.00 44.10 H new ATOM 1784 N TYR B 26 -18.841 -5.336 -5.428 1.00 32.09 N ATOM 1785 CA TYR B 26 -19.420 -3.996 -5.716 1.00 27.86 C ATOM 1786 C TYR B 26 -18.967 -3.528 -7.099 1.00 26.29 C ATOM 1787 O TYR B 26 -17.814 -3.640 -7.456 1.00 28.07 O ATOM 1788 CB TYR B 26 -18.967 -2.994 -4.643 1.00 23.99 C ATOM 1789 CG TYR B 26 -17.496 -2.658 -4.804 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -17.075 -1.835 -5.854 1.00 24.63 C ATOM 1791 CD2 TYR B 26 -16.561 -3.156 -3.889 1.00 24.19 C ATOM 1792 CE1 TYR B 26 -15.719 -1.512 -5.991 1.00 24.84 C ATOM 1793 CE2 TYR B 26 -15.205 -2.832 -4.027 1.00 24.77 C ATOM 1794 CZ TYR B 26 -14.785 -2.011 -5.077 1.00 24.25 C ATOM 1795 OH TYR B 26 -13.449 -1.692 -5.213 1.00 29.25 O ATOM 0 H TYR B 26 -17.900 -5.490 -5.791 1.00 32.09 H new ATOM 0 HA TYR B 26 -20.508 -4.060 -5.702 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -19.562 -2.084 -4.715 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -19.143 -3.412 -3.652 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -17.796 -1.449 -6.559 1.00 24.63 H new ATOM 0 HD2 TYR B 26 -16.885 -3.790 -3.077 1.00 24.19 H new ATOM 0 HE1 TYR B 26 -15.394 -0.878 -6.802 1.00 24.84 H new ATOM 0 HE2 TYR B 26 -14.484 -3.217 -3.321 1.00 24.77 H new ATOM 0 HH TYR B 26 -12.936 -2.119 -4.495 1.00 29.25 H new ATOM 1805 N SER B 27 -19.869 -3.005 -7.883 1.00 24.52 N ATOM 1806 CA SER B 27 -19.488 -2.525 -9.241 1.00 22.20 C ATOM 1807 C SER B 27 -19.276 -1.011 -9.182 1.00 20.52 C ATOM 1808 O SER B 27 -20.132 -0.239 -9.566 1.00 23.07 O ATOM 1809 CB SER B 27 -20.609 -2.847 -10.230 1.00 25.30 C ATOM 1810 OG SER B 27 -21.581 -3.662 -9.588 1.00 29.25 O ATOM 0 H SER B 27 -20.853 -2.889 -7.642 1.00 24.52 H new ATOM 0 HA SER B 27 -18.572 -3.017 -9.568 1.00 22.20 H new ATOM 0 HB2 SER B 27 -21.069 -1.926 -10.589 1.00 25.30 H new ATOM 0 HB3 SER B 27 -20.204 -3.362 -11.102 1.00 25.30 H new ATOM 0 HG SER B 27 -22.302 -3.869 -10.218 1.00 29.25 H new ATOM 1816 N LEU B 28 -18.150 -0.581 -8.685 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.892 0.884 -8.579 1.00 16.31 C ATOM 1818 C LEU B 28 -17.362 1.426 -9.910 1.00 14.21 C ATOM 1819 O LEU B 28 -16.901 0.688 -10.758 1.00 16.97 O ATOM 1820 CB LEU B 28 -16.866 1.134 -7.474 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.174 2.461 -6.780 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.312 2.228 -5.273 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -16.035 3.450 -7.042 1.00 22.01 C ATOM 0 H LEU B 28 -17.397 -1.180 -8.347 1.00 18.57 H new ATOM 0 HA LEU B 28 -18.823 1.397 -8.340 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.890 0.319 -6.750 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -15.861 1.157 -7.895 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.106 2.869 -7.171 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -17.532 3.174 -4.777 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.123 1.524 -5.086 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -16.380 1.821 -4.881 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -16.254 4.396 -6.548 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -15.103 3.043 -6.651 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -15.936 3.616 -8.115 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.430 2.718 -10.095 1.00 11.64 N ATOM 1836 CA ASN B 29 -16.938 3.329 -11.365 1.00 9.77 C ATOM 1837 C ASN B 29 -15.436 3.618 -11.245 1.00 7.94 C ATOM 1838 O ASN B 29 -15.030 4.567 -10.604 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.678 4.643 -11.631 1.00 14.73 C ATOM 1840 CG ASN B 29 -18.997 4.680 -10.855 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.734 3.714 -10.838 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.328 5.765 -10.207 1.00 12.89 N ATOM 0 H ASN B 29 -17.807 3.380 -9.417 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.119 2.636 -12.187 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.052 5.486 -11.337 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.874 4.748 -12.698 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.205 5.801 -9.687 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.710 6.576 -10.221 1.00 12.89 H new ATOM 1849 N GLU B 30 -14.607 2.813 -11.856 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.132 3.053 -11.774 1.00 13.16 C ATOM 1851 C GLU B 30 -12.737 4.154 -12.762 1.00 12.26 C ATOM 1852 O GLU B 30 -13.574 4.735 -13.421 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.387 1.763 -12.126 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.696 0.690 -11.081 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.574 -0.350 -11.070 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.619 -1.249 -11.893 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -10.689 -0.229 -10.239 1.00 40.03 O ATOM 0 H GLU B 30 -14.885 2.001 -12.407 1.00 8.58 H new ATOM 0 HA GLU B 30 -12.870 3.362 -10.762 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -12.685 1.417 -13.116 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.314 1.950 -12.164 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.794 1.145 -10.095 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.648 0.211 -11.307 1.00 27.13 H new ATOM 1864 N GLN B 31 -11.467 4.446 -12.870 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.024 5.513 -13.818 1.00 9.46 C ATOM 1866 C GLN B 31 -9.498 5.464 -13.979 1.00 10.09 C ATOM 1867 O GLN B 31 -8.845 4.551 -13.515 1.00 9.36 O ATOM 1868 CB GLN B 31 -11.437 6.884 -13.265 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.642 7.424 -14.040 1.00 10.62 C ATOM 1870 CD GLN B 31 -12.683 8.946 -13.915 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -13.165 9.467 -12.932 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.196 9.685 -14.876 1.00 12.39 N ATOM 0 H GLN B 31 -10.719 3.994 -12.345 1.00 10.34 H new ATOM 0 HA GLN B 31 -11.492 5.352 -14.789 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -11.684 6.798 -12.207 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -10.603 7.582 -13.342 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.573 7.136 -15.089 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.563 6.991 -13.650 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -11.791 9.245 -15.702 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -12.221 10.702 -14.800 1.00 12.39 H new ATOM 1881 N LEU B 32 -8.927 6.443 -14.636 1.00 6.80 N ATOM 1882 CA LEU B 32 -7.447 6.457 -14.833 1.00 10.34 C ATOM 1883 C LEU B 32 -6.888 7.839 -14.453 1.00 9.02 C ATOM 1884 O LEU B 32 -7.624 8.725 -14.067 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.145 6.155 -16.302 1.00 10.20 C ATOM 1886 CG LEU B 32 -7.194 4.644 -16.541 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.565 4.263 -17.106 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.103 4.250 -17.540 1.00 15.89 C ATOM 0 H LEU B 32 -9.424 7.234 -15.045 1.00 6.80 H new ATOM 0 HA LEU B 32 -6.978 5.704 -14.200 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -7.870 6.657 -16.943 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.162 6.543 -16.568 1.00 10.20 H new ATOM 0 HG LEU B 32 -7.030 4.121 -15.599 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.602 3.187 -17.277 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.342 4.544 -16.396 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.728 4.786 -18.048 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -6.137 3.174 -17.711 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.267 4.772 -18.483 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -5.127 4.523 -17.139 1.00 15.89 H new ATOM 1900 N CYS B 33 -5.592 8.031 -14.547 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.002 9.349 -14.178 1.00 8.10 C ATOM 1902 C CYS B 33 -3.522 9.355 -14.561 1.00 6.34 C ATOM 1903 O CYS B 33 -2.911 8.319 -14.707 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.104 9.568 -12.667 1.00 8.88 C ATOM 1905 SG CYS B 33 -5.138 7.976 -11.802 1.00 13.84 S ATOM 0 H CYS B 33 -4.922 7.330 -14.863 1.00 9.68 H new ATOM 0 HA CYS B 33 -5.543 10.138 -14.701 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.257 10.160 -12.320 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.005 10.135 -12.435 1.00 8.88 H new ATOM 0 HG CYS B 33 -4.807 7.027 -12.626 1.00 13.84 H new ATOM 1911 N TYR B 34 -2.935 10.511 -14.704 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.489 10.573 -15.060 1.00 7.08 C ATOM 1913 C TYR B 34 -0.724 11.226 -13.911 1.00 7.71 C ATOM 1914 O TYR B 34 -0.557 12.428 -13.874 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.303 11.430 -16.306 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.401 10.592 -17.557 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.336 9.560 -17.659 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -0.553 10.882 -18.636 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -2.419 8.816 -18.842 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -0.635 10.138 -19.809 1.00 17.22 C ATOM 1921 CZ TYR B 34 -1.566 9.108 -19.911 1.00 16.83 C ATOM 1922 OH TYR B 34 -1.650 8.373 -21.077 1.00 21.14 O ATOM 0 H TYR B 34 -3.393 11.415 -14.590 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.120 9.564 -15.245 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.060 12.214 -16.329 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.332 11.925 -16.270 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -2.991 9.337 -16.830 1.00 12.44 H new ATOM 0 HD2 TYR B 34 0.165 11.685 -18.556 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -3.141 8.017 -18.929 1.00 16.38 H new ATOM 0 HE2 TYR B 34 0.021 10.359 -20.638 1.00 17.22 H new ATOM 0 HH TYR B 34 -0.989 8.704 -21.721 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.266 10.456 -12.969 1.00 9.44 N ATOM 1933 CA VAL B 35 0.475 11.057 -11.826 1.00 10.66 C ATOM 1934 C VAL B 35 1.971 11.086 -12.123 1.00 10.57 C ATOM 1935 O VAL B 35 2.606 10.058 -12.256 1.00 8.31 O ATOM 1936 CB VAL B 35 0.231 10.236 -10.562 1.00 10.22 C ATOM 1937 CG1 VAL B 35 1.070 10.812 -9.419 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.253 10.305 -10.193 1.00 9.86 C ATOM 0 H VAL B 35 -0.371 9.442 -12.939 1.00 9.44 H new ATOM 0 HA VAL B 35 0.118 12.076 -11.677 1.00 10.66 H new ATOM 0 HB VAL B 35 0.514 9.198 -10.735 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.900 10.230 -8.513 1.00 7.97 H new ATOM 0 HG12 VAL B 35 2.126 10.769 -9.685 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.782 11.849 -9.243 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.431 9.720 -9.291 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.536 11.342 -10.014 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -1.850 9.902 -11.011 1.00 9.86 H new ATOM 1948 N ASP B 36 2.547 12.255 -12.215 1.00 8.58 N ATOM 1949 CA ASP B 36 3.998 12.337 -12.482 1.00 11.48 C ATOM 1950 C ASP B 36 4.734 11.644 -11.337 1.00 12.38 C ATOM 1951 O ASP B 36 5.875 11.249 -11.462 1.00 11.89 O ATOM 1952 CB ASP B 36 4.427 13.804 -12.562 1.00 16.17 C ATOM 1953 CG ASP B 36 3.733 14.476 -13.749 1.00 17.97 C ATOM 1954 OD1 ASP B 36 3.704 13.875 -14.810 1.00 15.67 O ATOM 1955 OD2 ASP B 36 3.243 15.579 -13.576 1.00 25.89 O ATOM 0 H ASP B 36 2.070 13.151 -12.116 1.00 8.58 H new ATOM 0 HA ASP B 36 4.235 11.852 -13.429 1.00 11.48 H new ATOM 0 HB2 ASP B 36 4.169 14.320 -11.637 1.00 16.17 H new ATOM 0 HB3 ASP B 36 5.509 13.872 -12.674 1.00 16.17 H new ATOM 1960 N LEU B 37 4.075 11.494 -10.218 1.00 13.17 N ATOM 1961 CA LEU B 37 4.709 10.825 -9.049 1.00 18.47 C ATOM 1962 C LEU B 37 6.166 11.270 -8.923 1.00 21.14 C ATOM 1963 O LEU B 37 7.002 10.556 -8.406 1.00 24.24 O ATOM 1964 CB LEU B 37 4.651 9.311 -9.239 1.00 15.81 C ATOM 1965 CG LEU B 37 5.304 8.624 -8.042 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.309 7.648 -7.414 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.546 7.862 -8.511 1.00 20.01 C ATOM 0 H LEU B 37 3.117 11.810 -10.065 1.00 13.17 H new ATOM 0 HA LEU B 37 4.172 11.100 -8.141 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.616 8.985 -9.339 1.00 15.81 H new ATOM 0 HB3 LEU B 37 5.164 9.029 -10.159 1.00 15.81 H new ATOM 0 HG LEU B 37 5.595 9.370 -7.303 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.772 7.156 -6.559 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.424 8.192 -7.084 1.00 14.72 H new ATOM 0 HD13 LEU B 37 4.020 6.899 -8.151 1.00 14.72 H new ATOM 0 HD21 LEU B 37 7.015 7.370 -7.659 1.00 20.01 H new ATOM 0 HD22 LEU B 37 6.257 7.113 -9.248 1.00 20.01 H new ATOM 0 HD23 LEU B 37 7.252 8.560 -8.961 1.00 20.01 H new ATOM 1979 N GLY B 38 6.474 12.449 -9.383 1.00 20.70 N ATOM 1980 CA GLY B 38 7.869 12.950 -9.282 1.00 23.91 C ATOM 1981 C GLY B 38 8.827 12.040 -10.066 1.00 26.50 C ATOM 1982 O GLY B 38 9.994 11.942 -9.743 1.00 31.02 O ATOM 0 H GLY B 38 5.815 13.089 -9.827 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.925 13.967 -9.670 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.172 12.991 -8.236 1.00 23.91 H new ATOM 1986 N ASN B 39 8.358 11.370 -11.092 1.00 27.64 N ATOM 1987 CA ASN B 39 9.274 10.482 -11.864 1.00 30.27 C ATOM 1988 C ASN B 39 9.608 11.107 -13.226 1.00 26.79 C ATOM 1989 O ASN B 39 10.004 10.428 -14.150 1.00 26.87 O ATOM 1990 CB ASN B 39 8.640 9.100 -12.066 1.00 35.62 C ATOM 1991 CG ASN B 39 7.166 9.245 -12.439 1.00 41.31 C ATOM 1992 OD1 ASN B 39 6.810 10.090 -13.235 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.288 8.441 -11.900 1.00 39.63 N ATOM 0 H ASN B 39 7.393 11.400 -11.422 1.00 27.64 H new ATOM 0 HA ASN B 39 10.196 10.366 -11.294 1.00 30.27 H new ATOM 0 HB2 ASN B 39 9.170 8.560 -12.851 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.736 8.511 -11.154 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.302 8.523 -12.148 1.00 39.63 H new ATOM 0 HD22 ASN B 39 6.589 7.732 -11.232 1.00 39.63 H new ATOM 2000 N GLU B 40 9.478 12.399 -13.345 1.00 25.15 N ATOM 2001 CA GLU B 40 9.813 13.079 -14.636 1.00 23.81 C ATOM 2002 C GLU B 40 8.921 12.568 -15.775 1.00 21.12 C ATOM 2003 O GLU B 40 9.405 12.209 -16.828 1.00 19.86 O ATOM 2004 CB GLU B 40 11.277 12.805 -14.984 1.00 27.22 C ATOM 2005 CG GLU B 40 12.181 13.718 -14.154 1.00 34.87 C ATOM 2006 CD GLU B 40 13.618 13.197 -14.203 1.00 38.97 C ATOM 2007 OE1 GLU B 40 14.136 13.047 -15.297 1.00 39.54 O ATOM 2008 OE2 GLU B 40 14.177 12.958 -13.145 1.00 42.34 O ATOM 0 H GLU B 40 9.153 13.019 -12.603 1.00 25.15 H new ATOM 0 HA GLU B 40 9.645 14.149 -14.517 1.00 23.81 H new ATOM 0 HB2 GLU B 40 11.519 11.761 -14.787 1.00 27.22 H new ATOM 0 HB3 GLU B 40 11.447 12.977 -16.047 1.00 27.22 H new ATOM 0 HG2 GLU B 40 12.139 14.737 -14.540 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.831 13.753 -13.122 1.00 34.87 H new ATOM 2015 N HIS B 41 7.629 12.555 -15.571 1.00 6.58 N ATOM 2016 CA HIS B 41 6.674 12.092 -16.628 1.00 5.92 C ATOM 2017 C HIS B 41 5.405 11.597 -15.940 1.00 4.67 C ATOM 2018 O HIS B 41 5.468 11.103 -14.835 1.00 3.78 O ATOM 2019 CB HIS B 41 7.274 10.945 -17.447 1.00 6.41 C ATOM 2020 CG HIS B 41 7.792 9.873 -16.532 1.00 6.37 C ATOM 2021 ND1 HIS B 41 9.116 9.463 -16.541 1.00 7.30 N ATOM 2022 CD2 HIS B 41 7.168 9.104 -15.587 1.00 6.59 C ATOM 2023 CE1 HIS B 41 9.243 8.484 -15.626 1.00 8.34 C ATOM 2024 NE2 HIS B 41 8.084 8.226 -15.015 1.00 8.23 N ATOM 0 H HIS B 41 7.186 12.851 -14.701 1.00 6.58 H new ATOM 0 HA HIS B 41 6.460 12.921 -17.303 1.00 5.92 H new ATOM 0 HB2 HIS B 41 6.518 10.530 -18.114 1.00 6.41 H new ATOM 0 HB3 HIS B 41 8.082 11.320 -18.075 1.00 6.41 H new ATOM 0 HD1 HIS B 41 9.859 9.835 -17.133 1.00 7.30 H new ATOM 0 HD2 HIS B 41 6.122 9.169 -15.325 1.00 6.59 H new ATOM 0 HE1 HIS B 41 10.169 7.970 -15.412 1.00 8.34 H new ATOM 2032 N PRO B 42 4.290 11.737 -16.606 1.00 15.11 N ATOM 2033 CA PRO B 42 2.998 11.306 -16.057 1.00 16.08 C ATOM 2034 C PRO B 42 2.872 9.794 -16.129 1.00 17.92 C ATOM 2035 O PRO B 42 3.366 9.162 -17.042 1.00 17.13 O ATOM 2036 CB PRO B 42 1.968 11.949 -16.977 1.00 16.41 C ATOM 2037 CG PRO B 42 2.700 12.238 -18.306 1.00 13.79 C ATOM 2038 CD PRO B 42 4.206 12.317 -17.963 1.00 16.28 C ATOM 0 HA PRO B 42 2.875 11.591 -15.012 1.00 16.08 H new ATOM 0 HB2 PRO B 42 1.119 11.284 -17.136 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.576 12.868 -16.541 1.00 16.41 H new ATOM 0 HG2 PRO B 42 2.508 11.451 -19.035 1.00 13.79 H new ATOM 0 HG3 PRO B 42 2.352 13.172 -18.747 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.809 11.755 -18.676 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.567 13.345 -17.981 1.00 16.28 H new ATOM 2046 N VAL B 43 2.202 9.209 -15.189 1.00 16.29 N ATOM 2047 CA VAL B 43 2.036 7.745 -15.226 1.00 14.28 C ATOM 2048 C VAL B 43 0.557 7.415 -15.257 1.00 9.00 C ATOM 2049 O VAL B 43 -0.179 7.710 -14.337 1.00 7.99 O ATOM 2050 CB VAL B 43 2.674 7.124 -13.990 1.00 17.96 C ATOM 2051 CG1 VAL B 43 4.124 7.589 -13.874 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.894 7.558 -12.745 1.00 20.57 C ATOM 0 H VAL B 43 1.763 9.682 -14.399 1.00 16.29 H new ATOM 0 HA VAL B 43 2.521 7.344 -16.116 1.00 14.28 H new ATOM 0 HB VAL B 43 2.651 6.038 -14.074 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.579 7.144 -12.989 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.677 7.280 -14.761 1.00 18.07 H new ATOM 0 HG13 VAL B 43 4.152 8.675 -13.789 1.00 18.07 H new ATOM 0 HG21 VAL B 43 2.348 7.115 -11.858 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.918 8.644 -12.661 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.860 7.224 -12.829 1.00 20.57 H new ATOM 2062 N LEU B 44 0.115 6.800 -16.309 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.314 6.451 -16.394 1.00 11.55 C ATOM 2064 C LEU B 44 -1.608 5.357 -15.374 1.00 10.61 C ATOM 2065 O LEU B 44 -1.241 4.211 -15.545 1.00 13.49 O ATOM 2066 CB LEU B 44 -1.636 5.964 -17.795 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.095 5.528 -17.843 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -3.980 6.630 -17.257 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -3.499 5.262 -19.294 1.00 20.21 C ATOM 0 H LEU B 44 0.683 6.526 -17.111 1.00 10.19 H new ATOM 0 HA LEU B 44 -1.930 7.325 -16.180 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.456 6.757 -18.520 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -0.985 5.132 -18.064 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.221 4.617 -17.258 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.023 6.316 -17.292 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -3.692 6.816 -16.222 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -3.856 7.544 -17.838 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -4.543 4.950 -19.330 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.372 6.172 -19.880 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -2.870 4.474 -19.708 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.254 5.712 -14.305 1.00 10.81 N ATOM 2082 CA VAL B 45 -2.565 4.711 -13.250 1.00 9.29 C ATOM 2083 C VAL B 45 -4.084 4.652 -13.044 1.00 9.95 C ATOM 2084 O VAL B 45 -4.821 5.474 -13.550 1.00 9.36 O ATOM 2085 CB VAL B 45 -1.818 5.108 -11.960 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -2.787 5.457 -10.823 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -0.920 3.946 -11.521 1.00 10.20 C ATOM 0 H VAL B 45 -2.583 6.658 -14.113 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.233 3.714 -13.542 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.222 5.995 -12.175 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.220 5.731 -9.933 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.416 6.295 -11.125 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.415 4.594 -10.602 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -0.389 4.221 -10.609 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.532 3.064 -11.333 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -0.199 3.726 -12.308 1.00 10.20 H new ATOM 2097 N LYS B 46 -4.554 3.673 -12.325 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.023 3.547 -12.108 1.00 12.81 C ATOM 2099 C LYS B 46 -6.480 4.462 -10.967 1.00 13.35 C ATOM 2100 O LYS B 46 -5.715 4.823 -10.096 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.361 2.096 -11.761 1.00 17.04 C ATOM 2102 CG LYS B 46 -7.875 1.892 -11.831 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.180 0.423 -12.133 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.028 0.168 -13.634 1.00 34.48 C ATOM 2105 NZ LYS B 46 -6.746 -0.548 -13.889 1.00 36.74 N ATOM 0 H LYS B 46 -3.986 2.954 -11.878 1.00 10.76 H new ATOM 0 HA LYS B 46 -6.539 3.842 -13.022 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -5.860 1.420 -12.454 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -5.997 1.856 -10.762 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.336 2.183 -10.887 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.303 2.530 -12.605 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.503 -0.222 -11.573 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -9.192 0.177 -11.812 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.867 -0.424 -14.000 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.044 1.113 -14.178 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -6.038 0.125 -14.245 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -6.404 -0.974 -13.004 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.900 -1.295 -14.596 1.00 36.74 H new ATOM 2119 N ILE B 47 -7.736 4.825 -10.969 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.279 5.702 -9.896 1.00 16.93 C ATOM 2121 C ILE B 47 -9.711 5.255 -9.582 1.00 16.52 C ATOM 2122 O ILE B 47 -10.338 4.571 -10.366 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.272 7.166 -10.371 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.308 8.106 -9.167 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -9.483 7.444 -11.259 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.316 9.246 -9.393 1.00 18.26 C ATOM 0 H ILE B 47 -8.415 4.547 -11.678 1.00 13.96 H new ATOM 0 HA ILE B 47 -7.664 5.626 -8.999 1.00 16.93 H new ATOM 0 HB ILE B 47 -7.360 7.337 -10.943 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.314 8.504 -9.031 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.055 7.562 -8.257 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -9.463 8.483 -11.586 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -9.454 6.789 -12.130 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -10.398 7.258 -10.696 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.336 9.921 -8.537 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.312 8.837 -9.509 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.591 9.794 -10.294 1.00 18.26 H new ATOM 2138 N THR B 48 -10.237 5.631 -8.451 1.00 16.86 N ATOM 2139 CA THR B 48 -11.629 5.217 -8.115 1.00 16.59 C ATOM 2140 C THR B 48 -12.555 6.431 -8.200 1.00 19.04 C ATOM 2141 O THR B 48 -12.341 7.438 -7.555 1.00 22.56 O ATOM 2142 CB THR B 48 -11.667 4.640 -6.698 1.00 16.30 C ATOM 2143 OG1 THR B 48 -10.343 4.537 -6.194 1.00 17.90 O ATOM 2144 CG2 THR B 48 -12.314 3.254 -6.728 1.00 16.02 C ATOM 0 H THR B 48 -9.768 6.203 -7.748 1.00 16.86 H new ATOM 0 HA THR B 48 -11.961 4.456 -8.821 1.00 16.59 H new ATOM 0 HB THR B 48 -12.250 5.297 -6.053 1.00 16.30 H new ATOM 0 HG1 THR B 48 -10.159 5.295 -5.601 1.00 17.90 H new ATOM 0 HG21 THR B 48 -12.341 2.843 -5.719 1.00 16.02 H new ATOM 0 HG22 THR B 48 -13.330 3.335 -7.114 1.00 16.02 H new ATOM 0 HG23 THR B 48 -11.732 2.595 -7.373 1.00 16.02 H new ATOM 2152 N LEU B 49 -13.585 6.338 -8.994 1.00 18.35 N ATOM 2153 CA LEU B 49 -14.534 7.474 -9.133 1.00 18.82 C ATOM 2154 C LEU B 49 -15.594 7.369 -8.033 1.00 20.06 C ATOM 2155 O LEU B 49 -16.249 6.356 -7.887 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.199 7.385 -10.514 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.784 8.738 -10.936 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.120 8.965 -10.223 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.816 9.872 -10.576 1.00 14.50 C ATOM 0 H LEU B 49 -13.810 5.517 -9.556 1.00 18.35 H new ATOM 0 HA LEU B 49 -14.013 8.427 -9.039 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -14.468 7.056 -11.252 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -15.990 6.635 -10.492 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.939 8.732 -12.015 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.534 9.927 -10.524 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -17.816 8.170 -10.492 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.962 8.959 -9.144 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -15.244 10.827 -10.881 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.647 9.878 -9.499 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.868 9.718 -11.091 1.00 14.50 H new ATOM 2171 N ASP B 50 -15.762 8.401 -7.252 1.00 22.62 N ATOM 2172 CA ASP B 50 -16.773 8.348 -6.159 1.00 27.04 C ATOM 2173 C ASP B 50 -18.139 7.980 -6.739 1.00 27.73 C ATOM 2174 O ASP B 50 -18.525 8.448 -7.791 1.00 26.65 O ATOM 2175 CB ASP B 50 -16.860 9.715 -5.477 1.00 29.11 C ATOM 2176 CG ASP B 50 -16.017 9.706 -4.201 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -14.821 9.489 -4.306 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -16.581 9.915 -3.140 1.00 33.99 O ATOM 0 H ASP B 50 -15.244 9.277 -7.323 1.00 22.62 H new ATOM 0 HA ASP B 50 -16.476 7.595 -5.429 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -16.506 10.493 -6.153 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -17.898 9.948 -5.238 1.00 29.11 H new ATOM 2183 N GLU B 51 -18.876 7.145 -6.059 1.00 31.16 N ATOM 2184 CA GLU B 51 -20.215 6.748 -6.568 1.00 34.22 C ATOM 2185 C GLU B 51 -21.055 8.002 -6.813 1.00 34.98 C ATOM 2186 O GLU B 51 -21.331 8.763 -5.907 1.00 34.19 O ATOM 2187 CB GLU B 51 -20.903 5.860 -5.531 1.00 38.24 C ATOM 2188 CG GLU B 51 -22.356 5.624 -5.940 1.00 46.84 C ATOM 2189 CD GLU B 51 -22.406 4.621 -7.095 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -21.485 3.829 -7.206 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -23.365 4.662 -7.848 1.00 53.83 O ATOM 0 H GLU B 51 -18.606 6.721 -5.171 1.00 31.16 H new ATOM 0 HA GLU B 51 -20.108 6.198 -7.503 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -20.379 4.908 -5.448 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -20.863 6.332 -4.549 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -22.927 5.246 -5.092 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -22.817 6.565 -6.241 1.00 46.84 H new ATOM 2198 N GLY B 52 -21.465 8.224 -8.031 1.00 34.53 N ATOM 2199 CA GLY B 52 -22.286 9.430 -8.332 1.00 34.93 C ATOM 2200 C GLY B 52 -21.369 10.593 -8.711 1.00 36.10 C ATOM 2201 O GLY B 52 -21.774 11.523 -9.379 1.00 35.97 O ATOM 0 H GLY B 52 -21.267 7.623 -8.831 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -22.977 9.218 -9.148 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -22.890 9.697 -7.465 1.00 34.93 H new ATOM 2205 N GLN B 53 -20.133 10.549 -8.293 1.00 36.52 N ATOM 2206 CA GLN B 53 -19.194 11.654 -8.633 1.00 35.40 C ATOM 2207 C GLN B 53 -18.931 11.648 -10.140 1.00 31.02 C ATOM 2208 O GLN B 53 -19.003 10.618 -10.775 1.00 29.05 O ATOM 2209 CB GLN B 53 -17.872 11.449 -7.888 1.00 41.20 C ATOM 2210 CG GLN B 53 -17.740 12.502 -6.784 1.00 47.61 C ATOM 2211 CD GLN B 53 -16.272 12.912 -6.635 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -15.537 12.316 -5.874 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -15.812 13.913 -7.333 1.00 54.76 N ATOM 0 H GLN B 53 -19.734 9.797 -7.732 1.00 36.52 H new ATOM 0 HA GLN B 53 -19.633 12.608 -8.340 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -17.836 10.448 -7.457 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.035 11.527 -8.582 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -18.348 13.374 -7.025 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -18.114 12.103 -5.841 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -16.428 14.415 -7.973 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -14.836 14.194 -7.239 1.00 54.76 H new ATOM 2222 N PRO B 54 -18.627 12.804 -10.666 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.334 12.967 -12.097 1.00 23.44 C ATOM 2224 C PRO B 54 -16.897 12.524 -12.392 1.00 20.14 C ATOM 2225 O PRO B 54 -15.956 13.099 -11.884 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.500 14.467 -12.331 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.319 15.142 -10.954 1.00 27.18 C ATOM 2228 CD PRO B 54 -18.556 14.055 -9.889 1.00 28.37 C ATOM 0 HA PRO B 54 -18.980 12.370 -12.741 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -17.761 14.834 -13.044 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.483 14.689 -12.747 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.318 15.564 -10.859 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.024 15.964 -10.831 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -17.746 14.027 -9.160 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -19.477 14.233 -9.335 1.00 28.37 H new ATOM 2236 N ALA B 55 -16.731 11.502 -13.200 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.367 11.001 -13.540 1.00 15.58 C ATOM 2238 C ALA B 55 -14.337 12.137 -13.502 1.00 16.41 C ATOM 2239 O ALA B 55 -14.590 13.232 -13.962 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.406 10.406 -14.943 1.00 13.98 C ATOM 0 H ALA B 55 -17.495 10.990 -13.642 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.073 10.249 -12.808 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.416 10.034 -15.208 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.121 9.584 -14.970 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.708 11.174 -15.655 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.177 11.877 -12.954 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.123 12.930 -12.882 1.00 14.61 C ATOM 2248 C TYR B 56 -12.087 13.711 -14.198 1.00 15.51 C ATOM 2249 O TYR B 56 -11.605 13.232 -15.202 1.00 17.19 O ATOM 2250 CB TYR B 56 -10.763 12.270 -12.636 1.00 12.92 C ATOM 2251 CG TYR B 56 -10.783 11.576 -11.291 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -10.540 12.301 -10.119 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -11.073 10.210 -11.222 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -10.582 11.655 -8.877 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -11.118 9.565 -9.982 1.00 7.90 C ATOM 2256 CZ TYR B 56 -10.871 10.287 -8.809 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.917 9.650 -7.586 1.00 12.03 O ATOM 0 H TYR B 56 -12.915 10.977 -12.552 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.347 13.615 -12.065 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.546 11.551 -13.426 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -9.972 13.019 -12.660 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -10.320 13.357 -10.172 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -11.262 9.652 -12.127 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -10.391 12.212 -7.972 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -11.343 8.510 -9.930 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.425 8.816 -7.670 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.596 14.912 -14.202 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.586 15.717 -15.455 1.00 14.95 C ATOM 2269 C ALA B 57 -11.143 15.866 -15.946 1.00 15.46 C ATOM 2270 O ALA B 57 -10.214 15.519 -15.245 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.177 17.101 -15.180 1.00 14.98 C ATOM 0 H ALA B 57 -13.017 15.370 -13.394 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.183 15.215 -16.217 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.169 17.689 -16.098 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.202 16.995 -14.826 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -12.581 17.607 -14.420 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.000 16.381 -17.140 1.00 15.20 N ATOM 2278 CA PRO B 58 -9.680 16.593 -17.759 1.00 16.55 C ATOM 2279 C PRO B 58 -9.016 17.844 -17.177 1.00 16.75 C ATOM 2280 O PRO B 58 -9.376 18.957 -17.504 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.007 16.788 -19.242 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.486 17.238 -19.307 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.139 16.799 -17.983 1.00 13.96 C ATOM 0 HA PRO B 58 -8.986 15.771 -17.586 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.353 17.537 -19.689 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -9.858 15.862 -19.798 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.557 18.318 -19.434 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -11.992 16.783 -20.158 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -12.696 17.615 -17.524 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -12.842 15.980 -18.138 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.053 17.671 -16.314 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.374 18.854 -15.714 1.00 15.08 C ATOM 2293 C GLY B 59 -6.219 18.394 -14.824 1.00 14.96 C ATOM 2294 O GLY B 59 -5.962 17.215 -14.687 1.00 13.79 O ATOM 0 H GLY B 59 -7.708 16.764 -15.999 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.000 19.508 -16.502 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.086 19.435 -15.129 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.525 19.315 -14.209 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.396 18.931 -13.315 1.00 14.53 C ATOM 2300 C LEU B 60 -4.975 18.321 -12.040 1.00 14.15 C ATOM 2301 O LEU B 60 -6.066 18.663 -11.632 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.584 20.179 -12.958 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.106 19.933 -13.256 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -1.363 21.270 -13.286 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.509 19.039 -12.166 1.00 15.01 C ATOM 0 H LEU B 60 -5.692 20.318 -14.288 1.00 15.83 H new ATOM 0 HA LEU B 60 -3.748 18.211 -13.815 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -3.943 21.034 -13.530 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.717 20.422 -11.904 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.006 19.441 -14.224 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -0.308 21.095 -13.499 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -1.789 21.906 -14.062 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -1.461 21.763 -12.319 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.454 18.863 -12.377 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.608 19.530 -11.198 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.039 18.087 -12.146 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.277 17.418 -11.405 1.00 11.12 N ATOM 2318 CA TYR B 61 -4.840 16.814 -10.172 1.00 9.57 C ATOM 2319 C TYR B 61 -3.815 16.752 -9.059 1.00 11.76 C ATOM 2320 O TYR B 61 -2.622 16.879 -9.261 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.345 15.405 -10.470 1.00 9.42 C ATOM 2322 CG TYR B 61 -6.761 15.517 -10.956 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.012 15.935 -12.264 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -7.821 15.235 -10.088 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -8.327 16.072 -12.709 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.137 15.369 -10.533 1.00 13.03 C ATOM 2327 CZ TYR B 61 -9.388 15.788 -11.842 1.00 11.06 C ATOM 2328 OH TYR B 61 -10.687 15.917 -12.288 1.00 14.61 O ATOM 0 H TYR B 61 -3.356 17.079 -11.684 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.664 17.447 -9.841 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -4.719 14.927 -11.224 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.296 14.785 -9.575 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.190 16.152 -12.930 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -7.622 14.914 -9.076 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -8.526 16.396 -13.720 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -9.959 15.149 -9.868 1.00 13.03 H new ATOM 0 HH TYR B 61 -10.685 16.146 -13.241 1.00 14.61 H new ATOM 2338 N THR B 62 -4.303 16.521 -7.885 1.00 12.22 N ATOM 2339 CA THR B 62 -3.438 16.398 -6.705 1.00 14.26 C ATOM 2340 C THR B 62 -4.072 15.339 -5.831 1.00 15.40 C ATOM 2341 O THR B 62 -5.207 15.465 -5.415 1.00 16.24 O ATOM 2342 CB THR B 62 -3.383 17.721 -5.959 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.684 18.062 -5.500 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.867 18.802 -6.903 1.00 11.61 C ATOM 0 H THR B 62 -5.298 16.409 -7.693 1.00 12.22 H new ATOM 0 HA THR B 62 -2.418 16.132 -6.983 1.00 14.26 H new ATOM 0 HB THR B 62 -2.715 17.636 -5.102 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.082 18.721 -6.106 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.824 19.755 -6.376 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.869 18.535 -7.251 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.538 18.890 -7.757 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.384 14.283 -5.575 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.005 13.220 -4.757 1.00 15.17 C ATOM 2354 C VAL B 63 -4.510 13.827 -3.456 1.00 14.24 C ATOM 2355 O VAL B 63 -4.161 14.932 -3.092 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.009 12.107 -4.462 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -3.763 10.906 -3.901 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.293 11.700 -5.756 1.00 18.64 C ATOM 0 H VAL B 63 -2.430 14.105 -5.889 1.00 14.65 H new ATOM 0 HA VAL B 63 -4.837 12.786 -5.312 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.272 12.455 -3.738 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.059 10.102 -3.686 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.276 11.194 -2.983 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.494 10.562 -4.632 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.581 10.903 -5.542 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.026 11.347 -6.482 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -1.763 12.560 -6.165 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.331 13.110 -2.760 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.876 13.627 -1.481 1.00 10.78 C ATOM 2370 C HIS B 64 -5.774 12.521 -0.430 1.00 14.19 C ATOM 2371 O HIS B 64 -6.237 11.415 -0.640 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.341 14.025 -1.672 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.718 15.060 -0.647 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.199 15.048 0.637 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.571 16.135 -0.696 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.739 16.076 1.306 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.584 16.777 0.541 1.00 20.65 N ATOM 0 H HIS B 64 -5.653 12.178 -3.022 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.312 14.502 -1.158 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.493 14.420 -2.676 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -7.983 13.149 -1.573 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.144 16.437 -1.560 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.519 16.310 2.337 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.121 17.603 0.806 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.169 12.799 0.694 1.00 12.93 N ATOM 2386 CA LEU B 65 -5.040 11.748 1.738 1.00 14.44 C ATOM 2387 C LEU B 65 -6.393 11.495 2.402 1.00 12.66 C ATOM 2388 O LEU B 65 -6.505 10.678 3.295 1.00 10.20 O ATOM 2389 CB LEU B 65 -4.027 12.180 2.794 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.634 13.265 3.660 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -5.187 12.640 4.943 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.562 14.292 4.008 1.00 19.03 C ATOM 0 H LEU B 65 -4.762 13.704 0.931 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.696 10.828 1.264 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.740 11.327 3.409 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.120 12.547 2.315 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.443 13.757 3.120 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -5.624 13.419 5.568 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -5.952 11.906 4.690 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -4.379 12.150 5.486 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -3.996 15.074 4.631 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.752 13.803 4.550 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.170 14.734 3.092 1.00 19.03 H new ATOM 2404 N SER B 66 -7.429 12.161 1.969 1.00 13.51 N ATOM 2405 CA SER B 66 -8.756 11.911 2.582 1.00 10.39 C ATOM 2406 C SER B 66 -9.061 10.423 2.430 1.00 8.56 C ATOM 2407 O SER B 66 -9.899 9.871 3.116 1.00 11.70 O ATOM 2408 CB SER B 66 -9.822 12.734 1.859 1.00 12.88 C ATOM 2409 OG SER B 66 -11.051 12.020 1.866 1.00 14.72 O ATOM 0 H SER B 66 -7.411 12.859 1.225 1.00 13.51 H new ATOM 0 HA SER B 66 -8.753 12.197 3.634 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.946 13.700 2.349 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.510 12.934 0.834 1.00 12.88 H new ATOM 0 HG SER B 66 -11.737 12.546 1.404 1.00 14.72 H new ATOM 2415 N SER B 67 -8.379 9.774 1.523 1.00 7.98 N ATOM 2416 CA SER B 67 -8.610 8.324 1.301 1.00 8.20 C ATOM 2417 C SER B 67 -7.519 7.498 1.997 1.00 11.02 C ATOM 2418 O SER B 67 -7.611 6.290 2.083 1.00 11.45 O ATOM 2419 CB SER B 67 -8.575 8.040 -0.194 1.00 8.01 C ATOM 2420 OG SER B 67 -9.404 6.921 -0.481 1.00 11.22 O ATOM 0 H SER B 67 -7.668 10.193 0.924 1.00 7.98 H new ATOM 0 HA SER B 67 -9.580 8.049 1.715 1.00 8.20 H new ATOM 0 HB2 SER B 67 -8.918 8.913 -0.749 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.552 7.841 -0.514 1.00 8.01 H new ATOM 0 HG SER B 67 -8.894 6.094 -0.353 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.483 8.131 2.485 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.394 7.365 3.158 1.00 11.79 C ATOM 2428 C PHE B 68 -5.888 6.881 4.521 1.00 12.69 C ATOM 2429 O PHE B 68 -6.795 7.446 5.099 1.00 14.25 O ATOM 2430 CB PHE B 68 -4.168 8.271 3.352 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.741 8.876 2.030 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.383 8.515 0.835 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.720 9.833 2.012 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -4.002 9.114 -0.370 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.339 10.427 0.806 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.981 10.070 -0.383 1.00 11.87 C ATOM 0 H PHE B 68 -6.345 9.141 2.446 1.00 10.09 H new ATOM 0 HA PHE B 68 -5.116 6.510 2.542 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.403 9.064 4.062 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -3.346 7.695 3.777 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -5.170 7.776 0.846 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -2.226 10.113 2.931 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.496 8.839 -1.290 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.548 11.162 0.793 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.688 10.533 -1.314 1.00 11.87 H new ATOM 2446 N LYS B 69 -5.299 5.841 5.043 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.739 5.330 6.371 1.00 15.38 C ATOM 2448 C LYS B 69 -4.575 4.625 7.066 1.00 15.02 C ATOM 2449 O LYS B 69 -3.567 4.318 6.461 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.886 4.334 6.190 1.00 16.04 C ATOM 2451 CG LYS B 69 -8.031 4.998 5.423 1.00 20.35 C ATOM 2452 CD LYS B 69 -9.317 4.197 5.633 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.393 3.070 4.601 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.218 1.953 5.143 1.00 32.70 N ATOM 0 H LYS B 69 -4.534 5.324 4.609 1.00 12.51 H new ATOM 0 HA LYS B 69 -6.075 6.171 6.978 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.535 3.455 5.649 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.238 3.990 7.162 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -8.168 6.023 5.768 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.791 5.048 4.361 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -9.339 3.783 6.641 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -10.184 4.850 5.538 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.829 3.441 3.673 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.391 2.713 4.362 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.269 1.187 4.441 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -9.784 1.593 6.017 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -11.177 2.298 5.349 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.714 4.358 8.335 1.00 13.65 N ATOM 2469 CA VAL B 70 -3.626 3.661 9.077 1.00 13.49 C ATOM 2470 C VAL B 70 -3.999 2.183 9.212 1.00 11.85 C ATOM 2471 O VAL B 70 -5.046 1.844 9.725 1.00 12.13 O ATOM 2472 CB VAL B 70 -3.455 4.279 10.467 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.981 4.223 10.873 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.925 5.737 10.452 1.00 15.63 C ATOM 0 H VAL B 70 -5.536 4.593 8.891 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.686 3.764 8.534 1.00 13.49 H new ATOM 0 HB VAL B 70 -4.054 3.717 11.184 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.859 4.663 11.863 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -1.649 3.185 10.894 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -1.384 4.781 10.152 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.800 6.170 11.445 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -3.333 6.303 9.732 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.977 5.777 10.168 1.00 15.63 H new ATOM 2484 N GLY B 71 -3.159 1.302 8.742 1.00 11.15 N ATOM 2485 CA GLY B 71 -3.476 -0.154 8.831 1.00 11.07 C ATOM 2486 C GLY B 71 -3.648 -0.564 10.295 1.00 12.15 C ATOM 2487 O GLY B 71 -4.361 0.065 11.050 1.00 12.70 O ATOM 0 H GLY B 71 -2.267 1.526 8.300 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -4.388 -0.371 8.275 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.677 -0.737 8.373 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.997 -1.619 10.700 1.00 15.78 N ATOM 2492 CA GLN B 72 -3.118 -2.076 12.112 1.00 19.42 C ATOM 2493 C GLN B 72 -2.085 -1.342 12.958 1.00 16.97 C ATOM 2494 O GLN B 72 -1.381 -1.933 13.752 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.876 -3.589 12.212 1.00 22.64 C ATOM 2496 CG GLN B 72 -2.999 -4.241 10.831 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.619 -4.298 10.173 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -1.359 -5.154 9.351 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.717 -3.414 10.503 1.00 25.15 N ATOM 0 H GLN B 72 -2.385 -2.185 10.112 1.00 15.78 H new ATOM 0 HA GLN B 72 -4.124 -1.860 12.472 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.885 -3.779 12.624 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -3.597 -4.035 12.897 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -3.411 -5.246 10.926 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -3.688 -3.672 10.208 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.936 -2.695 11.193 1.00 25.15 H new ATOM 0 HE22 GLN B 72 0.206 -3.442 10.071 1.00 25.15 H new ATOM 2508 N PHE B 73 -1.986 -0.055 12.783 1.00 14.56 N ATOM 2509 CA PHE B 73 -0.997 0.731 13.561 1.00 14.60 C ATOM 2510 C PHE B 73 0.395 0.509 12.968 1.00 15.63 C ATOM 2511 O PHE B 73 1.375 1.052 13.438 1.00 17.80 O ATOM 2512 CB PHE B 73 -1.018 0.267 15.015 1.00 12.63 C ATOM 2513 CG PHE B 73 -2.439 -0.041 15.424 1.00 14.99 C ATOM 2514 CD1 PHE B 73 -3.480 0.809 15.033 1.00 16.27 C ATOM 2515 CD2 PHE B 73 -2.714 -1.177 16.195 1.00 19.79 C ATOM 2516 CE1 PHE B 73 -4.797 0.524 15.413 1.00 20.44 C ATOM 2517 CE2 PHE B 73 -4.031 -1.462 16.575 1.00 18.68 C ATOM 2518 CZ PHE B 73 -5.073 -0.612 16.183 1.00 17.88 C ATOM 0 H PHE B 73 -2.552 0.487 12.130 1.00 14.56 H new ATOM 0 HA PHE B 73 -1.246 1.791 13.517 1.00 14.60 H new ATOM 0 HB2 PHE B 73 -0.394 -0.618 15.135 1.00 12.63 H new ATOM 0 HB3 PHE B 73 -0.602 1.040 15.661 1.00 12.63 H new ATOM 0 HD1 PHE B 73 -3.267 1.685 14.438 1.00 16.27 H new ATOM 0 HD2 PHE B 73 -1.911 -1.833 16.496 1.00 19.79 H new ATOM 0 HE1 PHE B 73 -5.600 1.181 15.112 1.00 20.44 H new ATOM 0 HE2 PHE B 73 -4.244 -2.338 17.171 1.00 18.68 H new ATOM 0 HZ PHE B 73 -6.089 -0.833 16.475 1.00 17.88 H new ATOM 2528 N GLY B 74 0.489 -0.286 11.935 1.00 13.82 N ATOM 2529 CA GLY B 74 1.816 -0.541 11.310 1.00 13.44 C ATOM 2530 C GLY B 74 2.337 0.746 10.668 1.00 10.42 C ATOM 2531 O GLY B 74 3.326 1.308 11.096 1.00 13.62 O ATOM 0 H GLY B 74 -0.296 -0.769 11.499 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.521 -0.896 12.062 1.00 13.44 H new ATOM 0 HA3 GLY B 74 1.730 -1.326 10.558 1.00 13.44 H new ATOM 2535 N SER B 75 1.681 1.219 9.643 1.00 12.64 N ATOM 2536 CA SER B 75 2.143 2.469 8.977 1.00 12.47 C ATOM 2537 C SER B 75 0.998 3.070 8.158 1.00 12.47 C ATOM 2538 O SER B 75 -0.032 2.455 7.967 1.00 11.32 O ATOM 2539 CB SER B 75 3.314 2.147 8.049 1.00 11.21 C ATOM 2540 OG SER B 75 4.295 3.170 8.157 1.00 18.27 O ATOM 0 H SER B 75 0.846 0.794 9.239 1.00 12.64 H new ATOM 0 HA SER B 75 2.461 3.185 9.735 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.747 1.182 8.313 1.00 11.21 H new ATOM 0 HB3 SER B 75 2.966 2.069 7.019 1.00 11.21 H new ATOM 0 HG SER B 75 4.475 3.352 9.103 1.00 18.27 H new ATOM 2546 N LEU B 76 1.172 4.270 7.671 1.00 12.43 N ATOM 2547 CA LEU B 76 0.096 4.911 6.863 1.00 12.18 C ATOM 2548 C LEU B 76 -0.081 4.145 5.551 1.00 12.07 C ATOM 2549 O LEU B 76 0.770 3.375 5.152 1.00 9.82 O ATOM 2550 CB LEU B 76 0.482 6.359 6.557 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.691 7.282 6.888 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.782 7.468 8.404 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.473 8.642 6.218 1.00 7.80 C ATOM 0 H LEU B 76 2.013 4.833 7.798 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.838 4.894 7.424 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.358 6.644 7.140 1.00 11.99 H new ATOM 0 HB3 LEU B 76 0.752 6.460 5.506 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.617 6.840 6.521 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.618 8.126 8.640 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.936 6.500 8.881 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.143 7.911 8.772 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.308 9.301 6.453 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.453 9.084 6.585 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.408 8.509 5.138 1.00 7.80 H new ATOM 2565 N MET B 77 -1.180 4.351 4.875 1.00 14.08 N ATOM 2566 CA MET B 77 -1.411 3.636 3.588 1.00 14.12 C ATOM 2567 C MET B 77 -2.563 4.304 2.836 1.00 11.37 C ATOM 2568 O MET B 77 -3.636 4.501 3.371 1.00 11.44 O ATOM 2569 CB MET B 77 -1.769 2.176 3.872 1.00 16.48 C ATOM 2570 CG MET B 77 -0.493 1.382 4.152 1.00 24.75 C ATOM 2571 SD MET B 77 -0.723 -0.336 3.631 1.00 35.11 S ATOM 2572 CE MET B 77 -0.289 -0.105 1.890 1.00 33.86 C ATOM 0 H MET B 77 -1.928 4.984 5.159 1.00 14.08 H new ATOM 0 HA MET B 77 -0.506 3.677 2.982 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.442 2.116 4.727 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.297 1.748 3.020 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.348 1.825 3.619 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.253 1.422 5.215 1.00 24.75 H new ATOM 0 HE1 MET B 77 -0.364 -1.058 1.367 1.00 33.86 H new ATOM 0 HE2 MET B 77 -0.973 0.613 1.437 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.732 0.270 1.816 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.347 4.660 1.601 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.429 5.323 0.817 1.00 11.62 C ATOM 2584 C ILE B 78 -4.689 4.465 0.842 1.00 11.45 C ATOM 2585 O ILE B 78 -5.789 4.970 0.953 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.974 5.523 -0.636 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.018 6.715 -0.705 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.187 5.793 -1.538 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.759 6.318 -1.478 1.00 13.67 C ATOM 0 H ILE B 78 -1.470 4.521 1.100 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.645 6.293 1.264 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.469 4.620 -0.979 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.506 7.558 -1.194 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.752 7.040 0.301 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.852 5.933 -2.566 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.871 4.945 -1.492 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.700 6.692 -1.198 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.079 7.168 -1.527 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.267 5.488 -0.971 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.033 6.014 -2.488 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.542 3.178 0.717 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.742 2.292 0.705 1.00 14.79 C ATOM 2603 C ASP B 79 -6.776 2.936 -0.210 1.00 15.20 C ATOM 2604 O ASP B 79 -7.888 3.223 0.187 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.302 2.178 2.117 1.00 12.21 C ATOM 2606 CG ASP B 79 -6.742 0.737 2.381 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -6.201 -0.153 1.745 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -7.612 0.547 3.215 1.00 21.87 O ATOM 0 H ASP B 79 -3.646 2.699 0.623 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.486 1.294 0.351 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.547 2.477 2.844 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.147 2.855 2.239 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.377 3.211 -1.420 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.274 3.895 -2.392 1.00 17.14 C ATOM 2615 C ARG B 80 -7.135 5.394 -2.152 1.00 14.98 C ATOM 2616 O ARG B 80 -7.422 5.881 -1.081 1.00 16.47 O ATOM 2617 CB ARG B 80 -8.728 3.459 -2.185 1.00 17.78 C ATOM 2618 CG ARG B 80 -9.530 3.731 -3.460 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.341 2.487 -3.828 1.00 28.43 C ATOM 2620 NE ARG B 80 -11.721 2.611 -3.278 1.00 33.10 N ATOM 2621 CZ ARG B 80 -12.671 1.823 -3.706 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.416 0.921 -4.616 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -13.878 1.937 -3.223 1.00 35.04 N ATOM 0 H ARG B 80 -5.450 2.986 -1.782 1.00 17.08 H new ATOM 0 HA ARG B 80 -6.998 3.636 -3.414 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -8.769 2.398 -1.937 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.165 4.000 -1.346 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -10.196 4.581 -3.309 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -8.857 3.994 -4.276 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.379 2.372 -4.911 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -9.858 1.595 -3.430 1.00 28.43 H new ATOM 0 HE ARG B 80 -11.924 3.313 -2.566 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.473 0.831 -4.994 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.160 0.307 -4.948 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.079 2.641 -2.512 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -14.621 1.322 -3.556 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.652 6.122 -3.120 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.449 7.581 -2.922 1.00 11.27 C ATOM 2639 C LEU B 81 -7.650 8.381 -3.424 1.00 15.61 C ATOM 2640 O LEU B 81 -8.337 7.991 -4.347 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.196 8.020 -3.684 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.507 8.180 -5.176 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -6.123 9.561 -5.431 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -4.207 8.049 -5.974 1.00 18.72 C ATOM 0 H LEU B 81 -6.389 5.768 -4.040 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.333 7.771 -1.855 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.828 8.963 -3.279 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.403 7.284 -3.548 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.212 7.409 -5.486 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -6.343 9.671 -6.493 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -7.045 9.660 -4.858 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -5.420 10.335 -5.124 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -4.420 8.162 -7.037 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -3.508 8.824 -5.660 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -3.767 7.068 -5.794 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.871 9.527 -2.843 1.00 13.37 N ATOM 2657 CA ARG B 82 -8.984 10.402 -3.299 1.00 12.72 C ATOM 2658 C ARG B 82 -8.362 11.503 -4.155 1.00 13.33 C ATOM 2659 O ARG B 82 -7.856 12.484 -3.650 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.693 11.017 -2.090 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.063 10.358 -1.913 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.087 11.412 -1.487 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.871 11.853 -2.675 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.988 12.513 -2.517 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.425 12.787 -1.317 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.669 12.900 -3.561 1.00 16.89 N ATOM 0 H ARG B 82 -7.323 9.897 -2.066 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.720 9.834 -3.868 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.091 10.877 -1.192 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.810 12.092 -2.231 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.375 9.889 -2.846 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.004 9.569 -1.163 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.755 11.001 -0.730 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.580 12.265 -1.036 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.535 11.639 -3.614 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.894 12.486 -0.500 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.297 13.302 -1.197 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.329 12.687 -4.499 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.541 13.415 -3.439 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.348 11.326 -5.446 1.00 13.53 N ATOM 2681 CA LEU B 83 -7.708 12.338 -6.324 1.00 13.86 C ATOM 2682 C LEU B 83 -8.577 13.582 -6.461 1.00 13.02 C ATOM 2683 O LEU B 83 -9.789 13.534 -6.385 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.469 11.736 -7.703 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.372 12.511 -8.408 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -5.025 11.834 -8.144 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.655 12.520 -9.914 1.00 10.58 C ATOM 0 H LEU B 83 -8.752 10.524 -5.929 1.00 13.53 H new ATOM 0 HA LEU B 83 -6.761 12.630 -5.871 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.186 10.687 -7.610 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.387 11.768 -8.290 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.342 13.535 -8.035 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -4.234 12.388 -8.649 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -4.829 11.819 -7.072 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -5.051 10.812 -8.523 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.871 13.075 -10.428 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.678 11.496 -10.286 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -7.618 12.995 -10.100 1.00 10.58 H new ATOM 2699 N VAL B 84 -7.941 14.698 -6.666 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.665 15.976 -6.818 1.00 12.86 C ATOM 2701 C VAL B 84 -7.869 16.853 -7.791 1.00 14.98 C ATOM 2702 O VAL B 84 -6.688 16.646 -7.965 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.735 16.648 -5.446 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.425 15.711 -4.454 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.317 16.957 -4.956 1.00 17.34 C ATOM 0 H VAL B 84 -6.926 14.774 -6.735 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.674 15.823 -7.200 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.302 17.575 -5.524 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.475 16.190 -3.476 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.434 15.491 -4.803 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -8.858 14.783 -4.375 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.366 17.436 -3.978 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.749 16.030 -4.878 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.825 17.625 -5.663 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.522 17.813 -8.385 1.00 18.65 N ATOM 2716 CA PRO B 85 -7.867 18.737 -9.326 1.00 22.41 C ATOM 2717 C PRO B 85 -6.792 19.563 -8.603 1.00 25.70 C ATOM 2718 O PRO B 85 -6.925 19.888 -7.440 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.017 19.594 -9.859 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.152 19.455 -8.832 1.00 18.95 C ATOM 2721 CD PRO B 85 -9.949 18.081 -8.169 1.00 20.63 C ATOM 0 HA PRO B 85 -7.338 18.236 -10.137 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.712 20.635 -9.967 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.336 19.252 -10.844 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.112 20.256 -8.093 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.127 19.516 -9.316 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.198 18.105 -7.108 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.576 17.316 -8.627 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.718 19.886 -9.279 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.624 20.667 -8.627 1.00 39.94 C ATOM 2731 C ALA B 86 -4.996 22.150 -8.606 1.00 46.96 C ATOM 2732 O ALA B 86 -5.122 22.783 -9.636 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.325 20.477 -9.417 1.00 39.70 C ATOM 0 H ALA B 86 -5.552 19.642 -10.255 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.485 20.315 -7.605 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.525 21.046 -8.944 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.059 19.420 -9.432 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.466 20.830 -10.439 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.173 22.711 -7.442 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.536 24.154 -7.358 1.00 55.12 C ATOM 2741 C LYS B 87 -4.479 24.900 -6.541 1.00 55.82 C ATOM 2742 O LYS B 87 -3.491 24.281 -6.182 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.900 24.297 -6.679 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.649 25.487 -7.282 1.00 55.49 C ATOM 2745 CD LYS B 87 -8.043 25.166 -8.725 1.00 56.64 C ATOM 2746 CE LYS B 87 -9.198 26.073 -9.154 1.00 58.91 C ATOM 2747 NZ LYS B 87 -9.335 26.037 -10.638 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.676 26.078 -6.290 1.00 57.66 O ATOM 0 H LYS B 87 -5.082 22.233 -6.545 1.00 51.78 H new ATOM 0 HA LYS B 87 -5.583 24.576 -8.362 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.481 23.384 -6.810 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.771 24.441 -5.606 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -8.538 25.707 -6.692 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -7.020 26.377 -7.255 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -7.189 25.310 -9.387 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -8.338 24.120 -8.808 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -10.125 25.745 -8.685 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.016 27.094 -8.820 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -10.120 26.654 -10.929 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -8.453 26.370 -11.076 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -9.528 25.062 -10.945 1.00 58.16 H new TER 2762 LYS B 87