USER MOD reduce.3.24.130724 H: found=0, std=0, add=1530, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 130:sc= 0.997! USER MOD Set 1.2: B 79 SER OG : rot -140:sc= -0.208! USER MOD Set 2.1: A 51 ASN : amide:sc= -6.24! C(o=-7.7!,f=-10!) USER MOD Set 2.2: B 70 SER OG : rot 19:sc= -1.46! USER MOD Set 3.1: A 70 SER OG : rot 180:sc= -3.54! USER MOD Set 3.2: B 51 ASN : amide:sc= -8.71! C(o=-12!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= -0.155 (180deg=-1.34!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0609 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -4.41! C(o=-4.4!,f=-1.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.5) USER MOD Single : A 28 ASN : amide:sc= 0.135 X(o=0.14,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.551 K(o=-0.55,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= -0.269 (180deg=-1.24!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= -1.26! (180deg=-1.65!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 96:sc= -1.21! USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0131 (180deg=-0.664) USER MOD Single : A 62 GLN : amide:sc= -0.961 K(o=-0.96,f=-0.19) USER MOD Single : A 65 ASN : amide:sc= -0.767! K(o=-0.77!,f=-1.7) USER MOD Single : A 67 GLN : amide:sc=-0.00807 K(o=-0.0081,f=-1.5!) USER MOD Single : A 68 THR OG1 : rot 100:sc= -0.101 USER MOD Single : A 79 SER OG : rot 75:sc= -1.91 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.702 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -147:sc= -0.26 (180deg=-1.39!) USER MOD Single : B 2 THR OG1 : rot 51:sc= 0.0733 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -3.79! K(o=-3.8!,f=-1.9) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.92) USER MOD Single : B 19 HIS : no HE2:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : B 28 ASN : amide:sc= 0.0728 X(o=0.073,f=0) USER MOD Single : B 29 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.7!) USER MOD Single : B 37 LYS NZ :NH3+ 149:sc= -0.0373 (180deg=-0.478) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ -159:sc= -0.803 (180deg=-1.72) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 96:sc= -1.39! USER MOD Single : B 54 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.358) USER MOD Single : B 62 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.2) USER MOD Single : B 65 ASN : amide:sc= -3.44! C(o=-3.4!,f=-2.8!) USER MOD Single : B 67 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : B 68 THR OG1 : rot 110:sc= -0.0862 USER MOD Single : B 80 TYR OH : rot 180:sc= -0.283 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.679 -2.341 -16.588 1.00 4.01 N ATOM 2 CA MET A 1 20.778 -1.394 -16.246 1.00 3.21 C ATOM 3 C MET A 1 20.499 -0.758 -14.884 1.00 2.18 C ATOM 4 O MET A 1 19.400 -0.320 -14.606 1.00 2.40 O ATOM 5 CB MET A 1 20.860 -0.300 -17.312 1.00 3.87 C ATOM 6 CG MET A 1 20.808 -0.936 -18.702 1.00 4.69 C ATOM 7 SD MET A 1 22.097 -0.209 -19.746 1.00 5.64 S ATOM 8 CE MET A 1 21.935 -1.356 -21.136 1.00 6.33 C ATOM 0 H1 MET A 1 20.069 -3.152 -17.109 1.00 4.01 H new ATOM 0 H2 MET A 1 19.225 -2.677 -15.714 1.00 4.01 H new ATOM 0 H3 MET A 1 18.974 -1.856 -17.180 1.00 4.01 H new ATOM 0 HA MET A 1 21.723 -1.935 -16.207 1.00 3.21 H new ATOM 0 HB2 MET A 1 20.036 0.403 -17.191 1.00 3.87 H new ATOM 0 HB3 MET A 1 21.783 0.268 -17.195 1.00 3.87 H new ATOM 0 HG2 MET A 1 20.951 -2.014 -18.626 1.00 4.69 H new ATOM 0 HG3 MET A 1 19.828 -0.775 -19.151 1.00 4.69 H new ATOM 0 HE1 MET A 1 22.651 -1.089 -21.913 1.00 6.33 H new ATOM 0 HE2 MET A 1 22.132 -2.372 -20.794 1.00 6.33 H new ATOM 0 HE3 MET A 1 20.924 -1.299 -21.539 1.00 6.33 H new ATOM 20 N THR A 2 21.486 -0.700 -14.031 1.00 1.58 N ATOM 21 CA THR A 2 21.274 -0.089 -12.690 1.00 1.09 C ATOM 22 C THR A 2 21.558 1.410 -12.765 1.00 0.90 C ATOM 23 O THR A 2 22.687 1.831 -12.919 1.00 1.71 O ATOM 24 CB THR A 2 22.220 -0.734 -11.676 1.00 1.87 C ATOM 25 OG1 THR A 2 23.426 -1.108 -12.327 1.00 2.53 O ATOM 26 CG2 THR A 2 21.558 -1.974 -11.073 1.00 2.32 C ATOM 0 H THR A 2 22.428 -1.049 -14.206 1.00 1.58 H new ATOM 0 HA THR A 2 20.242 -0.252 -12.378 1.00 1.09 H new ATOM 0 HB THR A 2 22.441 -0.021 -10.882 1.00 1.87 H new ATOM 0 HG1 THR A 2 24.034 -1.520 -11.678 1.00 2.53 H new ATOM 0 HG21 THR A 2 22.234 -2.432 -10.351 1.00 2.32 H new ATOM 0 HG22 THR A 2 20.633 -1.686 -10.573 1.00 2.32 H new ATOM 0 HG23 THR A 2 21.335 -2.689 -11.865 1.00 2.32 H new ATOM 34 N GLU A 3 20.544 2.220 -12.644 1.00 0.79 N ATOM 35 CA GLU A 3 20.755 3.691 -12.696 1.00 0.55 C ATOM 36 C GLU A 3 19.508 4.387 -12.153 1.00 0.53 C ATOM 37 O GLU A 3 19.570 5.200 -11.260 1.00 0.58 O ATOM 38 CB GLU A 3 20.985 4.111 -14.145 1.00 0.66 C ATOM 39 CG GLU A 3 21.778 5.410 -14.179 1.00 1.13 C ATOM 40 CD GLU A 3 22.060 5.801 -15.631 1.00 1.17 C ATOM 41 OE1 GLU A 3 21.648 5.064 -16.512 1.00 1.60 O ATOM 42 OE2 GLU A 3 22.684 6.829 -15.836 1.00 1.75 O ATOM 0 H GLU A 3 19.577 1.925 -12.511 1.00 0.79 H new ATOM 0 HA GLU A 3 21.622 3.968 -12.096 1.00 0.55 H new ATOM 0 HB2 GLU A 3 21.525 3.329 -14.680 1.00 0.66 H new ATOM 0 HB3 GLU A 3 20.029 4.243 -14.652 1.00 0.66 H new ATOM 0 HG2 GLU A 3 21.219 6.202 -13.680 1.00 1.13 H new ATOM 0 HG3 GLU A 3 22.715 5.290 -13.635 1.00 1.13 H new ATOM 49 N LYS A 4 18.376 4.068 -12.697 1.00 0.59 N ATOM 50 CA LYS A 4 17.112 4.692 -12.214 1.00 0.59 C ATOM 51 C LYS A 4 15.928 3.804 -12.607 1.00 0.59 C ATOM 52 O LYS A 4 15.006 4.223 -13.277 1.00 0.89 O ATOM 53 CB LYS A 4 16.962 6.101 -12.804 1.00 0.54 C ATOM 54 CG LYS A 4 17.846 6.241 -14.038 1.00 1.07 C ATOM 55 CD LYS A 4 17.380 7.444 -14.862 1.00 1.12 C ATOM 56 CE LYS A 4 16.348 6.985 -15.893 1.00 1.71 C ATOM 57 NZ LYS A 4 15.490 8.139 -16.287 1.00 2.24 N ATOM 0 H LYS A 4 18.265 3.399 -13.459 1.00 0.59 H new ATOM 0 HA LYS A 4 17.137 4.783 -11.128 1.00 0.59 H new ATOM 0 HB2 LYS A 4 15.921 6.285 -13.068 1.00 0.54 H new ATOM 0 HB3 LYS A 4 17.239 6.848 -12.060 1.00 0.54 H new ATOM 0 HG2 LYS A 4 18.887 6.371 -13.741 1.00 1.07 H new ATOM 0 HG3 LYS A 4 17.797 5.333 -14.639 1.00 1.07 H new ATOM 0 HD2 LYS A 4 16.945 8.200 -14.208 1.00 1.12 H new ATOM 0 HD3 LYS A 4 18.230 7.907 -15.363 1.00 1.12 H new ATOM 0 HE2 LYS A 4 16.851 6.576 -16.769 1.00 1.71 H new ATOM 0 HE3 LYS A 4 15.733 6.187 -15.477 1.00 1.71 H new ATOM 0 HZ1 LYS A 4 14.788 7.826 -16.988 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 15.000 8.510 -15.448 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 16.083 8.887 -16.700 1.00 2.24 H new ATOM 71 N LEU A 5 15.945 2.571 -12.179 1.00 0.58 N ATOM 72 CA LEU A 5 14.821 1.652 -12.511 1.00 0.62 C ATOM 73 C LEU A 5 15.058 0.318 -11.808 1.00 0.75 C ATOM 74 O LEU A 5 14.959 -0.737 -12.401 1.00 1.54 O ATOM 75 CB LEU A 5 14.760 1.420 -14.024 1.00 0.73 C ATOM 76 CG LEU A 5 16.140 0.986 -14.528 1.00 1.02 C ATOM 77 CD1 LEU A 5 16.025 -0.340 -15.285 1.00 1.39 C ATOM 78 CD2 LEU A 5 16.696 2.059 -15.467 1.00 1.67 C ATOM 0 H LEU A 5 16.689 2.161 -11.614 1.00 0.58 H new ATOM 0 HA LEU A 5 13.880 2.093 -12.182 1.00 0.62 H new ATOM 0 HB2 LEU A 5 14.019 0.655 -14.256 1.00 0.73 H new ATOM 0 HB3 LEU A 5 14.446 2.333 -14.531 1.00 0.73 H new ATOM 0 HG LEU A 5 16.809 0.857 -13.677 1.00 1.02 H new ATOM 0 HD11 LEU A 5 17.010 -0.643 -15.641 1.00 1.39 H new ATOM 0 HD12 LEU A 5 15.629 -1.106 -14.619 1.00 1.39 H new ATOM 0 HD13 LEU A 5 15.354 -0.216 -16.135 1.00 1.39 H new ATOM 0 HD21 LEU A 5 17.678 1.753 -15.828 1.00 1.67 H new ATOM 0 HD22 LEU A 5 16.022 2.186 -16.314 1.00 1.67 H new ATOM 0 HD23 LEU A 5 16.785 3.003 -14.929 1.00 1.67 H new ATOM 90 N ASN A 6 15.406 0.359 -10.559 1.00 0.26 N ATOM 91 CA ASN A 6 15.694 -0.895 -9.822 1.00 0.26 C ATOM 92 C ASN A 6 14.431 -1.417 -9.145 1.00 0.24 C ATOM 93 O ASN A 6 13.899 -0.807 -8.245 1.00 0.26 O ATOM 94 CB ASN A 6 16.757 -0.598 -8.772 1.00 0.35 C ATOM 95 CG ASN A 6 17.485 -1.889 -8.398 1.00 0.93 C ATOM 96 OD1 ASN A 6 18.043 -2.552 -9.250 1.00 1.72 O ATOM 97 ND2 ASN A 6 17.505 -2.278 -7.155 1.00 1.39 N ATOM 0 H ASN A 6 15.504 1.214 -10.012 1.00 0.26 H new ATOM 0 HA ASN A 6 16.048 -1.657 -10.516 1.00 0.26 H new ATOM 0 HB2 ASN A 6 17.468 0.134 -9.157 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.296 -0.160 -7.887 1.00 0.35 H new ATOM 0 HD21 ASN A 6 17.989 -3.138 -6.898 1.00 1.39 H new ATOM 0 HD22 ASN A 6 17.037 -1.722 -6.439 1.00 1.39 H new ATOM 104 N GLU A 7 13.961 -2.557 -9.558 1.00 0.25 N ATOM 105 CA GLU A 7 12.745 -3.126 -8.921 1.00 0.28 C ATOM 106 C GLU A 7 13.173 -4.063 -7.796 1.00 0.28 C ATOM 107 O GLU A 7 13.854 -5.043 -8.021 1.00 0.30 O ATOM 108 CB GLU A 7 11.927 -3.875 -9.966 1.00 0.35 C ATOM 109 CG GLU A 7 12.638 -5.173 -10.354 1.00 0.44 C ATOM 110 CD GLU A 7 12.177 -5.612 -11.745 1.00 0.75 C ATOM 111 OE1 GLU A 7 12.702 -5.088 -12.714 1.00 1.44 O ATOM 112 OE2 GLU A 7 11.306 -6.464 -11.817 1.00 1.12 O ATOM 0 H GLU A 7 14.365 -3.119 -10.307 1.00 0.25 H new ATOM 0 HA GLU A 7 12.126 -2.330 -8.506 1.00 0.28 H new ATOM 0 HB2 GLU A 7 10.935 -4.097 -9.573 1.00 0.35 H new ATOM 0 HB3 GLU A 7 11.787 -3.249 -10.848 1.00 0.35 H new ATOM 0 HG2 GLU A 7 13.718 -5.024 -10.347 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.419 -5.952 -9.624 1.00 0.44 H new ATOM 119 N ILE A 8 12.801 -3.745 -6.580 1.00 0.28 N ATOM 120 CA ILE A 8 13.219 -4.609 -5.419 1.00 0.31 C ATOM 121 C ILE A 8 12.010 -5.194 -4.689 1.00 0.28 C ATOM 122 O ILE A 8 10.997 -4.560 -4.532 1.00 0.28 O ATOM 123 CB ILE A 8 14.026 -3.780 -4.425 1.00 0.35 C ATOM 124 CG1 ILE A 8 15.087 -2.971 -5.171 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.714 -4.709 -3.423 1.00 0.56 C ATOM 126 CD1 ILE A 8 15.879 -2.125 -4.170 1.00 1.11 C ATOM 0 H ILE A 8 12.232 -2.934 -6.337 1.00 0.28 H new ATOM 0 HA ILE A 8 13.819 -5.427 -5.818 1.00 0.31 H new ATOM 0 HB ILE A 8 13.356 -3.102 -3.896 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.758 -3.640 -5.710 1.00 0.42 H new ATOM 0 HG13 ILE A 8 14.614 -2.328 -5.914 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.290 -4.116 -2.713 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.961 -5.287 -2.886 1.00 0.56 H new ATOM 0 HG23 ILE A 8 15.381 -5.388 -3.955 1.00 0.56 H new ATOM 0 HD11 ILE A 8 16.636 -1.547 -4.700 1.00 1.11 H new ATOM 0 HD12 ILE A 8 15.202 -1.446 -3.652 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.363 -2.778 -3.444 1.00 1.11 H new ATOM 138 N VAL A 9 12.127 -6.415 -4.249 1.00 0.28 N ATOM 139 CA VAL A 9 11.008 -7.082 -3.519 1.00 0.27 C ATOM 140 C VAL A 9 11.357 -7.234 -2.040 1.00 0.24 C ATOM 141 O VAL A 9 12.410 -7.720 -1.678 1.00 0.25 O ATOM 142 CB VAL A 9 10.761 -8.463 -4.122 1.00 0.30 C ATOM 143 CG1 VAL A 9 9.700 -9.199 -3.304 1.00 1.35 C ATOM 144 CG2 VAL A 9 10.280 -8.317 -5.567 1.00 1.27 C ATOM 0 H VAL A 9 12.962 -6.989 -4.365 1.00 0.28 H new ATOM 0 HA VAL A 9 10.111 -6.470 -3.612 1.00 0.27 H new ATOM 0 HB VAL A 9 11.691 -9.032 -4.106 1.00 0.30 H new ATOM 0 HG11 VAL A 9 9.526 -10.184 -3.737 1.00 1.35 H new ATOM 0 HG12 VAL A 9 10.045 -9.310 -2.276 1.00 1.35 H new ATOM 0 HG13 VAL A 9 8.771 -8.628 -3.315 1.00 1.35 H new ATOM 0 HG21 VAL A 9 10.105 -9.305 -5.994 1.00 1.27 H new ATOM 0 HG22 VAL A 9 9.353 -7.744 -5.586 1.00 1.27 H new ATOM 0 HG23 VAL A 9 11.039 -7.798 -6.152 1.00 1.27 H new ATOM 154 N VAL A 10 10.476 -6.802 -1.190 1.00 0.23 N ATOM 155 CA VAL A 10 10.747 -6.898 0.271 1.00 0.22 C ATOM 156 C VAL A 10 10.237 -8.248 0.774 1.00 0.20 C ATOM 157 O VAL A 10 9.480 -8.920 0.102 1.00 0.20 O ATOM 158 CB VAL A 10 10.031 -5.755 1.003 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.566 -6.131 1.249 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.719 -5.491 2.346 1.00 0.39 C ATOM 0 H VAL A 10 9.579 -6.386 -1.440 1.00 0.23 H new ATOM 0 HA VAL A 10 11.817 -6.817 0.462 1.00 0.22 H new ATOM 0 HB VAL A 10 10.075 -4.856 0.388 1.00 0.23 H new ATOM 0 HG11 VAL A 10 8.063 -5.315 1.769 1.00 0.33 H new ATOM 0 HG12 VAL A 10 8.072 -6.312 0.295 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.519 -7.033 1.859 1.00 0.33 H new ATOM 0 HG21 VAL A 10 10.208 -4.679 2.863 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.680 -6.392 2.958 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.759 -5.214 2.174 1.00 0.39 H new ATOM 170 N ARG A 11 10.659 -8.655 1.944 1.00 0.20 N ATOM 171 CA ARG A 11 10.212 -9.971 2.485 1.00 0.19 C ATOM 172 C ARG A 11 9.908 -9.840 3.974 1.00 0.22 C ATOM 173 O ARG A 11 10.157 -8.819 4.585 1.00 0.22 O ATOM 174 CB ARG A 11 11.316 -11.016 2.293 1.00 0.20 C ATOM 175 CG ARG A 11 12.486 -10.405 1.522 1.00 0.30 C ATOM 176 CD ARG A 11 13.529 -11.488 1.242 1.00 0.34 C ATOM 177 NE ARG A 11 14.826 -10.850 0.883 1.00 1.17 N ATOM 178 CZ ARG A 11 15.002 -10.352 -0.310 1.00 1.42 C ATOM 179 NH1 ARG A 11 14.044 -10.415 -1.193 1.00 1.51 N ATOM 180 NH2 ARG A 11 16.139 -9.791 -0.620 1.00 2.27 N ATOM 0 H ARG A 11 11.294 -8.132 2.547 1.00 0.20 H new ATOM 0 HA ARG A 11 9.315 -10.284 1.951 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.658 -11.378 3.263 1.00 0.20 H new ATOM 0 HB3 ARG A 11 10.923 -11.877 1.752 1.00 0.20 H new ATOM 0 HG2 ARG A 11 12.133 -9.973 0.585 1.00 0.30 H new ATOM 0 HG3 ARG A 11 12.932 -9.595 2.098 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.654 -12.122 2.120 1.00 0.34 H new ATOM 0 HD3 ARG A 11 13.191 -12.131 0.430 1.00 0.34 H new ATOM 0 HE ARG A 11 15.578 -10.802 1.571 1.00 1.17 H new ATOM 0 HH11 ARG A 11 13.156 -10.854 -0.951 1.00 1.51 H new ATOM 0 HH12 ARG A 11 14.183 -10.025 -2.125 1.00 1.51 H new ATOM 0 HH21 ARG A 11 16.889 -9.742 0.070 1.00 2.27 H new ATOM 0 HH22 ARG A 11 16.278 -9.401 -1.552 1.00 2.27 H new ATOM 194 N LYS A 12 9.382 -10.875 4.565 1.00 0.27 N ATOM 195 CA LYS A 12 9.068 -10.829 6.016 1.00 0.32 C ATOM 196 C LYS A 12 10.253 -11.377 6.793 1.00 0.35 C ATOM 197 O LYS A 12 10.309 -11.290 8.004 1.00 0.43 O ATOM 198 CB LYS A 12 7.855 -11.703 6.297 1.00 0.35 C ATOM 199 CG LYS A 12 8.178 -13.152 5.930 1.00 0.38 C ATOM 200 CD LYS A 12 6.903 -13.859 5.462 1.00 1.05 C ATOM 201 CE LYS A 12 7.030 -15.362 5.718 1.00 1.03 C ATOM 202 NZ LYS A 12 6.249 -16.108 4.691 1.00 1.78 N ATOM 0 H LYS A 12 9.155 -11.755 4.101 1.00 0.27 H new ATOM 0 HA LYS A 12 8.862 -9.801 6.315 1.00 0.32 H new ATOM 0 HB2 LYS A 12 7.580 -11.635 7.350 1.00 0.35 H new ATOM 0 HB3 LYS A 12 6.999 -11.352 5.721 1.00 0.35 H new ATOM 0 HG2 LYS A 12 8.931 -13.179 5.142 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.599 -13.671 6.791 1.00 0.38 H new ATOM 0 HD2 LYS A 12 6.038 -13.461 5.992 1.00 1.05 H new ATOM 0 HD3 LYS A 12 6.740 -13.673 4.401 1.00 1.05 H new ATOM 0 HE2 LYS A 12 8.078 -15.661 5.682 1.00 1.03 H new ATOM 0 HE3 LYS A 12 6.664 -15.604 6.716 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 6.335 -17.130 4.864 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 5.248 -15.830 4.746 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 6.618 -15.885 3.745 1.00 1.78 H new ATOM 216 N THR A 13 11.205 -11.937 6.105 1.00 0.34 N ATOM 217 CA THR A 13 12.387 -12.485 6.806 1.00 0.44 C ATOM 218 C THR A 13 13.446 -11.390 6.882 1.00 0.58 C ATOM 219 O THR A 13 14.505 -11.569 7.448 1.00 1.08 O ATOM 220 CB THR A 13 12.936 -13.688 6.035 1.00 0.48 C ATOM 221 OG1 THR A 13 13.325 -13.274 4.733 1.00 1.24 O ATOM 222 CG2 THR A 13 11.856 -14.765 5.929 1.00 1.01 C ATOM 0 H THR A 13 11.213 -12.037 5.090 1.00 0.34 H new ATOM 0 HA THR A 13 12.112 -12.812 7.809 1.00 0.44 H new ATOM 0 HB THR A 13 13.799 -14.095 6.561 1.00 0.48 H new ATOM 0 HG1 THR A 13 13.679 -14.042 4.238 1.00 1.24 H new ATOM 0 HG21 THR A 13 12.248 -15.621 5.380 1.00 1.01 H new ATOM 0 HG22 THR A 13 11.558 -15.081 6.929 1.00 1.01 H new ATOM 0 HG23 THR A 13 10.991 -14.362 5.403 1.00 1.01 H new ATOM 230 N LYS A 14 13.131 -10.242 6.340 1.00 0.35 N ATOM 231 CA LYS A 14 14.064 -9.082 6.378 1.00 0.43 C ATOM 232 C LYS A 14 13.373 -7.964 7.152 1.00 0.57 C ATOM 233 O LYS A 14 12.215 -7.677 6.931 1.00 1.34 O ATOM 234 CB LYS A 14 14.337 -8.587 4.945 1.00 0.39 C ATOM 235 CG LYS A 14 15.775 -8.927 4.477 1.00 0.60 C ATOM 236 CD LYS A 14 15.856 -10.323 3.825 1.00 0.86 C ATOM 237 CE LYS A 14 16.421 -11.333 4.820 1.00 1.06 C ATOM 238 NZ LYS A 14 17.910 -11.277 4.799 1.00 1.41 N ATOM 0 H LYS A 14 12.248 -10.059 5.864 1.00 0.35 H new ATOM 0 HA LYS A 14 15.006 -9.369 6.846 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.617 -9.039 4.262 1.00 0.39 H new ATOM 0 HB3 LYS A 14 14.186 -7.508 4.899 1.00 0.39 H new ATOM 0 HG2 LYS A 14 16.112 -8.174 3.764 1.00 0.60 H new ATOM 0 HG3 LYS A 14 16.453 -8.885 5.329 1.00 0.60 H new ATOM 0 HD2 LYS A 14 14.865 -10.638 3.497 1.00 0.86 H new ATOM 0 HD3 LYS A 14 16.487 -10.283 2.937 1.00 0.86 H new ATOM 0 HE2 LYS A 14 16.053 -11.116 5.823 1.00 1.06 H new ATOM 0 HE3 LYS A 14 16.081 -12.337 4.567 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 18.293 -11.966 5.478 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 18.253 -11.505 3.844 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 18.225 -10.321 5.061 1.00 1.41 H new ATOM 252 N ASN A 15 14.055 -7.330 8.057 1.00 0.43 N ATOM 253 CA ASN A 15 13.404 -6.240 8.831 1.00 0.33 C ATOM 254 C ASN A 15 13.155 -5.037 7.921 1.00 0.24 C ATOM 255 O ASN A 15 13.554 -5.016 6.774 1.00 0.24 O ATOM 256 CB ASN A 15 14.314 -5.827 9.987 1.00 0.47 C ATOM 257 CG ASN A 15 14.114 -6.787 11.159 1.00 0.56 C ATOM 258 OD1 ASN A 15 13.298 -6.546 12.026 1.00 1.23 O ATOM 259 ND2 ASN A 15 14.828 -7.878 11.222 1.00 1.25 N ATOM 0 H ASN A 15 15.029 -7.516 8.295 1.00 0.43 H new ATOM 0 HA ASN A 15 12.451 -6.595 9.224 1.00 0.33 H new ATOM 0 HB2 ASN A 15 15.356 -5.839 9.666 1.00 0.47 H new ATOM 0 HB3 ASN A 15 14.087 -4.807 10.296 1.00 0.47 H new ATOM 0 HD21 ASN A 15 14.700 -8.527 11.999 1.00 1.25 H new ATOM 0 HD22 ASN A 15 15.514 -8.082 10.495 1.00 1.25 H new ATOM 266 N VAL A 16 12.509 -4.027 8.434 1.00 0.24 N ATOM 267 CA VAL A 16 12.249 -2.814 7.611 1.00 0.22 C ATOM 268 C VAL A 16 13.579 -2.114 7.354 1.00 0.23 C ATOM 269 O VAL A 16 13.801 -1.506 6.319 1.00 0.25 O ATOM 270 CB VAL A 16 11.322 -1.866 8.374 1.00 0.29 C ATOM 271 CG1 VAL A 16 10.062 -2.618 8.805 1.00 0.31 C ATOM 272 CG2 VAL A 16 12.047 -1.337 9.614 1.00 0.49 C ATOM 0 H VAL A 16 12.150 -3.990 9.388 1.00 0.24 H new ATOM 0 HA VAL A 16 11.779 -3.096 6.669 1.00 0.22 H new ATOM 0 HB VAL A 16 11.044 -1.033 7.729 1.00 0.29 H new ATOM 0 HG11 VAL A 16 9.402 -1.941 9.348 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.546 -2.998 7.923 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.339 -3.451 9.451 1.00 0.31 H new ATOM 0 HG21 VAL A 16 11.389 -0.661 10.160 1.00 0.49 H new ATOM 0 HG22 VAL A 16 12.324 -2.172 10.258 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.946 -0.801 9.309 1.00 0.49 H new ATOM 282 N GLU A 17 14.478 -2.214 8.288 1.00 0.27 N ATOM 283 CA GLU A 17 15.795 -1.572 8.104 1.00 0.33 C ATOM 284 C GLU A 17 16.611 -2.392 7.112 1.00 0.34 C ATOM 285 O GLU A 17 17.427 -1.860 6.390 1.00 0.37 O ATOM 286 CB GLU A 17 16.528 -1.482 9.448 1.00 0.39 C ATOM 287 CG GLU A 17 17.317 -2.767 9.712 1.00 0.86 C ATOM 288 CD GLU A 17 17.617 -2.881 11.207 1.00 1.03 C ATOM 289 OE1 GLU A 17 16.674 -2.952 11.977 1.00 1.41 O ATOM 290 OE2 GLU A 17 18.786 -2.894 11.558 1.00 1.56 O ATOM 0 H GLU A 17 14.354 -2.713 9.169 1.00 0.27 H new ATOM 0 HA GLU A 17 15.661 -0.562 7.717 1.00 0.33 H new ATOM 0 HB2 GLU A 17 17.204 -0.627 9.444 1.00 0.39 H new ATOM 0 HB3 GLU A 17 15.810 -1.317 10.251 1.00 0.39 H new ATOM 0 HG2 GLU A 17 16.746 -3.633 9.378 1.00 0.86 H new ATOM 0 HG3 GLU A 17 18.247 -2.759 9.143 1.00 0.86 H new ATOM 297 N ASP A 18 16.419 -3.685 7.062 1.00 0.35 N ATOM 298 CA ASP A 18 17.209 -4.516 6.123 1.00 0.38 C ATOM 299 C ASP A 18 17.017 -4.061 4.688 1.00 0.35 C ATOM 300 O ASP A 18 17.939 -4.131 3.899 1.00 0.34 O ATOM 301 CB ASP A 18 16.748 -5.965 6.227 1.00 0.46 C ATOM 302 CG ASP A 18 17.928 -6.854 6.623 1.00 0.66 C ATOM 303 OD1 ASP A 18 18.351 -6.772 7.764 1.00 1.27 O ATOM 304 OD2 ASP A 18 18.390 -7.601 5.777 1.00 1.38 O ATOM 0 H ASP A 18 15.747 -4.196 7.634 1.00 0.35 H new ATOM 0 HA ASP A 18 18.261 -4.417 6.390 1.00 0.38 H new ATOM 0 HB2 ASP A 18 15.951 -6.051 6.966 1.00 0.46 H new ATOM 0 HB3 ASP A 18 16.336 -6.295 5.274 1.00 0.46 H new ATOM 309 N HIS A 19 15.854 -3.585 4.311 1.00 0.34 N ATOM 310 CA HIS A 19 15.675 -3.135 2.908 1.00 0.33 C ATOM 311 C HIS A 19 15.901 -1.630 2.851 1.00 0.28 C ATOM 312 O HIS A 19 16.225 -1.085 1.819 1.00 0.27 O ATOM 313 CB HIS A 19 14.251 -3.456 2.449 1.00 0.36 C ATOM 314 CG HIS A 19 14.270 -4.691 1.592 1.00 0.53 C ATOM 315 ND1 HIS A 19 14.440 -5.961 2.127 1.00 1.22 N ATOM 316 CD2 HIS A 19 14.146 -4.869 0.236 1.00 1.43 C ATOM 317 CE1 HIS A 19 14.414 -6.838 1.107 1.00 1.27 C ATOM 318 NE2 HIS A 19 14.237 -6.223 -0.064 1.00 1.40 N ATOM 0 H HIS A 19 15.034 -3.492 4.911 1.00 0.34 H new ATOM 0 HA HIS A 19 16.384 -3.645 2.256 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.604 -3.609 3.313 1.00 0.36 H new ATOM 0 HB3 HIS A 19 13.840 -2.617 1.888 1.00 0.36 H new ATOM 0 HD2 HIS A 19 14.000 -4.079 -0.486 1.00 1.43 H new ATOM 0 HE1 HIS A 19 14.523 -7.906 1.222 1.00 1.27 H new ATOM 0 HE2 HIS A 19 14.180 -6.656 -0.986 1.00 1.40 H new ATOM 327 N VAL A 20 15.811 -0.959 3.971 1.00 0.26 N ATOM 328 CA VAL A 20 16.107 0.494 3.954 1.00 0.24 C ATOM 329 C VAL A 20 17.622 0.574 3.789 1.00 0.23 C ATOM 330 O VAL A 20 18.163 1.418 3.103 1.00 0.22 O ATOM 331 CB VAL A 20 15.626 1.151 5.264 1.00 0.25 C ATOM 332 CG1 VAL A 20 16.799 1.469 6.199 1.00 0.29 C ATOM 333 CG2 VAL A 20 14.888 2.447 4.934 1.00 0.29 C ATOM 0 H VAL A 20 15.550 -1.349 4.877 1.00 0.26 H new ATOM 0 HA VAL A 20 15.595 1.028 3.153 1.00 0.24 H new ATOM 0 HB VAL A 20 14.964 0.449 5.772 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.422 1.931 7.112 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.325 0.548 6.449 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.485 2.155 5.702 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.546 2.916 5.857 1.00 0.29 H new ATOM 0 HG22 VAL A 20 15.561 3.126 4.410 1.00 0.29 H new ATOM 0 HG23 VAL A 20 14.030 2.226 4.299 1.00 0.29 H new ATOM 343 N LEU A 21 18.289 -0.352 4.421 1.00 0.25 N ATOM 344 CA LEU A 21 19.769 -0.435 4.340 1.00 0.27 C ATOM 345 C LEU A 21 20.168 -0.838 2.921 1.00 0.27 C ATOM 346 O LEU A 21 20.987 -0.204 2.283 1.00 0.28 O ATOM 347 CB LEU A 21 20.259 -1.512 5.311 1.00 0.32 C ATOM 348 CG LEU A 21 20.256 -0.981 6.751 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.622 -2.114 7.711 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.273 0.159 6.895 1.00 0.34 C ATOM 0 H LEU A 21 17.857 -1.070 5.003 1.00 0.25 H new ATOM 0 HA LEU A 21 20.209 0.529 4.594 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.619 -2.392 5.240 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.265 -1.827 5.036 1.00 0.32 H new ATOM 0 HG LEU A 21 19.262 -0.603 6.989 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.620 -1.739 8.734 1.00 0.41 H new ATOM 0 HD12 LEU A 21 19.893 -2.919 7.619 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.614 -2.493 7.465 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.263 0.528 7.920 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.270 -0.210 6.652 1.00 0.34 H new ATOM 0 HD23 LEU A 21 21.010 0.969 6.215 1.00 0.34 H new ATOM 362 N ASP A 22 19.587 -1.891 2.416 1.00 0.28 N ATOM 363 CA ASP A 22 19.927 -2.337 1.037 1.00 0.31 C ATOM 364 C ASP A 22 19.432 -1.295 0.027 1.00 0.29 C ATOM 365 O ASP A 22 20.019 -1.096 -1.018 1.00 0.31 O ATOM 366 CB ASP A 22 19.256 -3.683 0.755 1.00 0.36 C ATOM 367 CG ASP A 22 20.012 -4.407 -0.360 1.00 0.44 C ATOM 368 OD1 ASP A 22 20.786 -3.759 -1.043 1.00 1.01 O ATOM 369 OD2 ASP A 22 19.803 -5.600 -0.512 1.00 1.22 O ATOM 0 H ASP A 22 18.892 -2.461 2.899 1.00 0.28 H new ATOM 0 HA ASP A 22 21.008 -2.446 0.946 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.247 -4.293 1.658 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.217 -3.529 0.464 1.00 0.36 H new ATOM 374 N VAL A 23 18.353 -0.632 0.337 1.00 0.27 N ATOM 375 CA VAL A 23 17.821 0.397 -0.604 1.00 0.27 C ATOM 376 C VAL A 23 18.791 1.578 -0.649 1.00 0.26 C ATOM 377 O VAL A 23 19.224 1.995 -1.705 1.00 0.26 O ATOM 378 CB VAL A 23 16.447 0.882 -0.143 1.00 0.28 C ATOM 379 CG1 VAL A 23 16.098 2.169 -0.888 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.395 -0.184 -0.464 1.00 0.32 C ATOM 0 H VAL A 23 17.818 -0.756 1.196 1.00 0.27 H new ATOM 0 HA VAL A 23 17.720 -0.043 -1.596 1.00 0.27 H new ATOM 0 HB VAL A 23 16.464 1.066 0.931 1.00 0.28 H new ATOM 0 HG11 VAL A 23 15.119 2.522 -0.565 1.00 0.31 H new ATOM 0 HG12 VAL A 23 16.848 2.930 -0.671 1.00 0.31 H new ATOM 0 HG13 VAL A 23 16.078 1.975 -1.960 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.415 0.162 -0.135 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.375 -0.363 -1.539 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.646 -1.110 0.054 1.00 0.32 H new ATOM 390 N ILE A 24 19.141 2.120 0.486 1.00 0.25 N ATOM 391 CA ILE A 24 20.087 3.269 0.490 1.00 0.26 C ATOM 392 C ILE A 24 21.416 2.822 -0.118 1.00 0.26 C ATOM 393 O ILE A 24 22.187 3.624 -0.605 1.00 0.28 O ATOM 394 CB ILE A 24 20.293 3.772 1.926 1.00 0.30 C ATOM 395 CG1 ILE A 24 20.481 5.291 1.901 1.00 0.57 C ATOM 396 CG2 ILE A 24 21.530 3.121 2.555 1.00 0.45 C ATOM 397 CD1 ILE A 24 20.850 5.783 3.302 1.00 0.58 C ATOM 0 H ILE A 24 18.815 1.818 1.404 1.00 0.25 H new ATOM 0 HA ILE A 24 19.678 4.087 -0.103 1.00 0.26 H new ATOM 0 HB ILE A 24 19.419 3.508 2.521 1.00 0.30 H new ATOM 0 HG12 ILE A 24 21.264 5.560 1.192 1.00 0.57 H new ATOM 0 HG13 ILE A 24 19.565 5.776 1.563 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.658 3.491 3.572 1.00 0.45 H new ATOM 0 HG22 ILE A 24 21.401 2.039 2.576 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.412 3.370 1.965 1.00 0.45 H new ATOM 0 HD11 ILE A 24 20.984 6.865 3.284 1.00 0.58 H new ATOM 0 HD12 ILE A 24 20.052 5.528 3.999 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.777 5.308 3.622 1.00 0.58 H new ATOM 409 N VAL A 25 21.687 1.543 -0.108 1.00 0.26 N ATOM 410 CA VAL A 25 22.963 1.057 -0.701 1.00 0.29 C ATOM 411 C VAL A 25 22.881 1.156 -2.227 1.00 0.29 C ATOM 412 O VAL A 25 23.828 1.540 -2.883 1.00 0.31 O ATOM 413 CB VAL A 25 23.198 -0.399 -0.303 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.152 -1.054 -1.306 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.816 -0.452 1.095 1.00 0.36 C ATOM 0 H VAL A 25 21.083 0.820 0.283 1.00 0.26 H new ATOM 0 HA VAL A 25 23.787 1.669 -0.334 1.00 0.29 H new ATOM 0 HB VAL A 25 22.248 -0.933 -0.301 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.320 -2.093 -1.023 1.00 0.41 H new ATOM 0 HG12 VAL A 25 23.714 -1.016 -2.303 1.00 0.41 H new ATOM 0 HG13 VAL A 25 25.102 -0.520 -1.307 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.984 -1.491 1.379 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.766 0.082 1.093 1.00 0.36 H new ATOM 0 HG23 VAL A 25 23.139 0.015 1.810 1.00 0.36 H new ATOM 425 N LEU A 26 21.765 0.802 -2.805 1.00 0.29 N ATOM 426 CA LEU A 26 21.628 0.867 -4.287 1.00 0.32 C ATOM 427 C LEU A 26 21.642 2.328 -4.752 1.00 0.32 C ATOM 428 O LEU A 26 22.214 2.665 -5.772 1.00 0.35 O ATOM 429 CB LEU A 26 20.303 0.209 -4.670 1.00 0.36 C ATOM 430 CG LEU A 26 20.531 -1.277 -4.964 1.00 0.65 C ATOM 431 CD1 LEU A 26 19.235 -2.043 -4.716 1.00 0.49 C ATOM 432 CD2 LEU A 26 20.956 -1.461 -6.423 1.00 1.19 C ATOM 0 H LEU A 26 20.938 0.469 -2.310 1.00 0.29 H new ATOM 0 HA LEU A 26 22.459 0.348 -4.765 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.582 0.323 -3.861 1.00 0.36 H new ATOM 0 HB3 LEU A 26 19.880 0.702 -5.545 1.00 0.36 H new ATOM 0 HG LEU A 26 21.317 -1.656 -4.311 1.00 0.65 H new ATOM 0 HD11 LEU A 26 19.392 -3.101 -4.924 1.00 0.49 H new ATOM 0 HD12 LEU A 26 18.932 -1.919 -3.676 1.00 0.49 H new ATOM 0 HD13 LEU A 26 18.453 -1.657 -5.370 1.00 0.49 H new ATOM 0 HD21 LEU A 26 21.116 -2.520 -6.624 1.00 1.19 H new ATOM 0 HD22 LEU A 26 20.174 -1.081 -7.080 1.00 1.19 H new ATOM 0 HD23 LEU A 26 21.881 -0.913 -6.604 1.00 1.19 H new ATOM 444 N PHE A 27 21.043 3.203 -3.995 1.00 0.31 N ATOM 445 CA PHE A 27 21.056 4.642 -4.378 1.00 0.33 C ATOM 446 C PHE A 27 22.517 5.083 -4.406 1.00 0.34 C ATOM 447 O PHE A 27 22.913 5.970 -5.135 1.00 0.37 O ATOM 448 CB PHE A 27 20.285 5.460 -3.342 1.00 0.35 C ATOM 449 CG PHE A 27 20.704 6.908 -3.430 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.313 7.683 -4.528 1.00 1.19 C ATOM 451 CD2 PHE A 27 21.484 7.476 -2.415 1.00 1.38 C ATOM 452 CE1 PHE A 27 20.701 9.025 -4.612 1.00 1.22 C ATOM 453 CE2 PHE A 27 21.872 8.818 -2.498 1.00 1.46 C ATOM 454 CZ PHE A 27 21.480 9.593 -3.597 1.00 0.71 C ATOM 0 H PHE A 27 20.547 2.986 -3.131 1.00 0.31 H new ATOM 0 HA PHE A 27 20.585 4.793 -5.349 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.213 5.369 -3.516 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.479 5.074 -2.341 1.00 0.35 H new ATOM 0 HD1 PHE A 27 19.712 7.245 -5.311 1.00 1.19 H new ATOM 0 HD2 PHE A 27 21.786 6.878 -1.568 1.00 1.38 H new ATOM 0 HE1 PHE A 27 20.399 9.622 -5.460 1.00 1.22 H new ATOM 0 HE2 PHE A 27 22.473 9.256 -1.715 1.00 1.46 H new ATOM 0 HZ PHE A 27 21.779 10.629 -3.661 1.00 0.71 H new ATOM 464 N ASN A 28 23.312 4.433 -3.607 1.00 0.33 N ATOM 465 CA ASN A 28 24.763 4.757 -3.558 1.00 0.36 C ATOM 466 C ASN A 28 25.374 4.521 -4.942 1.00 0.38 C ATOM 467 O ASN A 28 26.365 5.124 -5.302 1.00 0.41 O ATOM 468 CB ASN A 28 25.458 3.866 -2.532 1.00 0.35 C ATOM 469 CG ASN A 28 26.452 4.700 -1.721 1.00 0.39 C ATOM 470 OD1 ASN A 28 26.449 4.659 -0.507 1.00 1.15 O ATOM 471 ND2 ASN A 28 27.309 5.460 -2.346 1.00 0.98 N ATOM 0 H ASN A 28 23.017 3.685 -2.980 1.00 0.33 H new ATOM 0 HA ASN A 28 24.895 5.800 -3.269 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.721 3.414 -1.869 1.00 0.35 H new ATOM 0 HB3 ASN A 28 25.977 3.050 -3.035 1.00 0.35 H new ATOM 0 HD21 ASN A 28 27.976 6.020 -1.815 1.00 0.98 H new ATOM 0 HD22 ASN A 28 27.312 5.494 -3.365 1.00 0.98 H new ATOM 478 N GLN A 29 24.784 3.656 -5.726 1.00 0.38 N ATOM 479 CA GLN A 29 25.327 3.397 -7.087 1.00 0.40 C ATOM 480 C GLN A 29 24.670 4.369 -8.064 1.00 0.43 C ATOM 481 O GLN A 29 25.071 4.490 -9.205 1.00 0.51 O ATOM 482 CB GLN A 29 25.016 1.956 -7.496 1.00 0.40 C ATOM 483 CG GLN A 29 25.469 1.005 -6.388 1.00 0.38 C ATOM 484 CD GLN A 29 25.159 -0.438 -6.794 1.00 0.40 C ATOM 485 OE1 GLN A 29 24.185 -1.010 -6.350 1.00 1.17 O ATOM 486 NE2 GLN A 29 25.953 -1.052 -7.628 1.00 1.10 N ATOM 0 H GLN A 29 23.951 3.120 -5.481 1.00 0.38 H new ATOM 0 HA GLN A 29 26.408 3.539 -7.095 1.00 0.40 H new ATOM 0 HB2 GLN A 29 23.947 1.840 -7.676 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.524 1.713 -8.429 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.538 1.122 -6.209 1.00 0.38 H new ATOM 0 HG3 GLN A 29 24.961 1.249 -5.455 1.00 0.38 H new ATOM 0 HE21 GLN A 29 26.771 -0.571 -8.001 1.00 1.10 H new ATOM 0 HE22 GLN A 29 25.755 -2.013 -7.907 1.00 1.10 H new ATOM 495 N GLY A 30 23.670 5.071 -7.601 1.00 0.39 N ATOM 496 CA GLY A 30 22.966 6.063 -8.464 1.00 0.42 C ATOM 497 C GLY A 30 21.532 5.609 -8.727 1.00 0.37 C ATOM 498 O GLY A 30 20.865 6.135 -9.590 1.00 0.39 O ATOM 0 H GLY A 30 23.307 4.998 -6.650 1.00 0.39 H new ATOM 0 HA2 GLY A 30 22.963 7.040 -7.980 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.498 6.177 -9.408 1.00 0.42 H new ATOM 502 N ILE A 31 21.042 4.649 -7.987 1.00 0.33 N ATOM 503 CA ILE A 31 19.644 4.185 -8.207 1.00 0.31 C ATOM 504 C ILE A 31 18.689 5.217 -7.620 1.00 0.28 C ATOM 505 O ILE A 31 18.561 5.346 -6.419 1.00 0.30 O ATOM 506 CB ILE A 31 19.460 2.829 -7.532 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.387 1.814 -8.224 1.00 0.35 C ATOM 508 CG2 ILE A 31 17.996 2.383 -7.623 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.049 1.660 -9.714 1.00 0.35 C ATOM 0 H ILE A 31 21.549 4.169 -7.243 1.00 0.33 H new ATOM 0 HA ILE A 31 19.435 4.076 -9.271 1.00 0.31 H new ATOM 0 HB ILE A 31 19.718 2.898 -6.475 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.423 2.136 -8.117 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.301 0.846 -7.729 1.00 0.35 H new ATOM 0 HG21 ILE A 31 17.880 1.414 -7.137 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.361 3.116 -7.126 1.00 0.31 H new ATOM 0 HG23 ILE A 31 17.705 2.301 -8.670 1.00 0.31 H new ATOM 0 HD11 ILE A 31 20.725 0.935 -10.167 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.021 1.313 -9.820 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.161 2.622 -10.214 1.00 0.35 H new ATOM 521 N ASP A 32 18.016 5.959 -8.461 1.00 0.26 N ATOM 522 CA ASP A 32 17.074 6.985 -7.953 1.00 0.27 C ATOM 523 C ASP A 32 15.675 6.392 -7.830 1.00 0.28 C ATOM 524 O ASP A 32 14.942 6.709 -6.917 1.00 0.45 O ATOM 525 CB ASP A 32 17.044 8.174 -8.916 1.00 0.30 C ATOM 526 CG ASP A 32 18.427 8.826 -8.964 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.354 8.172 -9.411 1.00 1.55 O ATOM 528 OD2 ASP A 32 18.536 9.969 -8.551 1.00 1.22 O ATOM 0 H ASP A 32 18.082 5.894 -9.477 1.00 0.26 H new ATOM 0 HA ASP A 32 17.407 7.320 -6.971 1.00 0.27 H new ATOM 0 HB2 ASP A 32 16.752 7.842 -9.912 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.299 8.900 -8.591 1.00 0.30 H new ATOM 533 N GLU A 33 15.298 5.549 -8.759 1.00 0.26 N ATOM 534 CA GLU A 33 13.944 4.944 -8.724 1.00 0.27 C ATOM 535 C GLU A 33 14.016 3.569 -8.080 1.00 0.23 C ATOM 536 O GLU A 33 14.941 2.813 -8.303 1.00 0.23 O ATOM 537 CB GLU A 33 13.384 4.790 -10.140 1.00 0.29 C ATOM 538 CG GLU A 33 13.507 6.109 -10.906 1.00 0.48 C ATOM 539 CD GLU A 33 12.112 6.668 -11.192 1.00 0.71 C ATOM 540 OE1 GLU A 33 11.270 5.906 -11.639 1.00 1.58 O ATOM 541 OE2 GLU A 33 11.911 7.850 -10.965 1.00 1.15 O ATOM 0 H GLU A 33 15.880 5.256 -9.544 1.00 0.26 H new ATOM 0 HA GLU A 33 13.292 5.600 -8.147 1.00 0.27 H new ATOM 0 HB2 GLU A 33 13.923 4.003 -10.668 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.339 4.485 -10.094 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.085 6.827 -10.324 1.00 0.48 H new ATOM 0 HG3 GLU A 33 14.045 5.950 -11.841 1.00 0.48 H new ATOM 548 N VAL A 34 13.054 3.248 -7.277 1.00 0.21 N ATOM 549 CA VAL A 34 13.078 1.926 -6.610 1.00 0.20 C ATOM 550 C VAL A 34 11.653 1.447 -6.344 1.00 0.19 C ATOM 551 O VAL A 34 10.788 2.208 -5.938 1.00 0.20 O ATOM 552 CB VAL A 34 13.866 2.037 -5.309 1.00 0.21 C ATOM 553 CG1 VAL A 34 13.141 2.981 -4.363 1.00 0.54 C ATOM 554 CG2 VAL A 34 13.988 0.656 -4.663 1.00 0.43 C ATOM 0 H VAL A 34 12.254 3.839 -7.053 1.00 0.21 H new ATOM 0 HA VAL A 34 13.563 1.195 -7.257 1.00 0.20 H new ATOM 0 HB VAL A 34 14.863 2.424 -5.518 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.701 3.063 -3.431 1.00 0.54 H new ATOM 0 HG12 VAL A 34 13.057 3.965 -4.824 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.144 2.592 -4.154 1.00 0.54 H new ATOM 0 HG21 VAL A 34 14.551 0.738 -3.734 1.00 0.43 H new ATOM 0 HG22 VAL A 34 12.993 0.264 -4.451 1.00 0.43 H new ATOM 0 HG23 VAL A 34 14.507 -0.019 -5.343 1.00 0.43 H new ATOM 564 N ILE A 35 11.410 0.186 -6.609 1.00 0.19 N ATOM 565 CA ILE A 35 10.045 -0.390 -6.417 1.00 0.19 C ATOM 566 C ILE A 35 10.062 -1.465 -5.341 1.00 0.19 C ATOM 567 O ILE A 35 10.807 -2.419 -5.417 1.00 0.20 O ATOM 568 CB ILE A 35 9.573 -0.972 -7.743 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.109 -0.078 -8.863 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.042 -1.001 -7.780 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.193 -0.169 -10.089 1.00 0.25 C ATOM 0 H ILE A 35 12.107 -0.474 -6.954 1.00 0.19 H new ATOM 0 HA ILE A 35 9.360 0.393 -6.092 1.00 0.19 H new ATOM 0 HB ILE A 35 9.938 -1.992 -7.866 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.168 0.954 -8.519 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.121 -0.383 -9.131 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.709 -1.418 -8.730 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.670 -1.618 -6.962 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.656 0.013 -7.674 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.582 0.470 -10.882 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.156 -1.200 -10.440 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.189 0.158 -9.818 1.00 0.25 H new ATOM 583 N LEU A 36 9.228 -1.314 -4.342 1.00 0.21 N ATOM 584 CA LEU A 36 9.165 -2.320 -3.247 1.00 0.23 C ATOM 585 C LEU A 36 7.916 -3.185 -3.410 1.00 0.23 C ATOM 586 O LEU A 36 6.806 -2.700 -3.310 1.00 0.24 O ATOM 587 CB LEU A 36 9.117 -1.614 -1.895 1.00 0.24 C ATOM 588 CG LEU A 36 10.515 -1.639 -1.267 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.492 -0.881 -2.166 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.476 -0.968 0.103 1.00 0.30 C ATOM 0 H LEU A 36 8.585 -0.529 -4.241 1.00 0.21 H new ATOM 0 HA LEU A 36 10.053 -2.950 -3.295 1.00 0.23 H new ATOM 0 HB2 LEU A 36 8.779 -0.585 -2.020 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.401 -2.108 -1.238 1.00 0.24 H new ATOM 0 HG LEU A 36 10.840 -2.674 -1.158 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.486 -0.899 -1.719 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.526 -1.355 -3.147 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.161 0.152 -2.274 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.472 -0.988 0.546 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.148 0.066 -0.007 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.780 -1.502 0.750 1.00 0.30 H new ATOM 602 N LYS A 37 8.089 -4.462 -3.630 1.00 0.23 N ATOM 603 CA LYS A 37 6.910 -5.363 -3.767 1.00 0.23 C ATOM 604 C LYS A 37 6.739 -6.146 -2.447 1.00 0.18 C ATOM 605 O LYS A 37 7.670 -6.751 -1.953 1.00 0.19 O ATOM 606 CB LYS A 37 7.117 -6.330 -4.944 1.00 0.31 C ATOM 607 CG LYS A 37 8.174 -5.795 -5.923 1.00 1.23 C ATOM 608 CD LYS A 37 7.658 -4.510 -6.573 1.00 1.52 C ATOM 609 CE LYS A 37 7.473 -4.734 -8.076 1.00 2.39 C ATOM 610 NZ LYS A 37 6.661 -5.963 -8.302 1.00 2.74 N ATOM 0 H LYS A 37 8.997 -4.919 -3.721 1.00 0.23 H new ATOM 0 HA LYS A 37 6.012 -4.778 -3.966 1.00 0.23 H new ATOM 0 HB2 LYS A 37 7.427 -7.305 -4.567 1.00 0.31 H new ATOM 0 HB3 LYS A 37 6.173 -6.476 -5.468 1.00 0.31 H new ATOM 0 HG2 LYS A 37 9.108 -5.600 -5.396 1.00 1.23 H new ATOM 0 HG3 LYS A 37 8.389 -6.542 -6.687 1.00 1.23 H new ATOM 0 HD2 LYS A 37 6.711 -4.216 -6.120 1.00 1.52 H new ATOM 0 HD3 LYS A 37 8.361 -3.695 -6.400 1.00 1.52 H new ATOM 0 HE2 LYS A 37 6.979 -3.872 -8.524 1.00 2.39 H new ATOM 0 HE3 LYS A 37 8.444 -4.833 -8.561 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 6.144 -5.877 -9.200 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 7.289 -6.791 -8.341 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 5.983 -6.079 -7.522 1.00 2.74 H new ATOM 624 N GLY A 38 5.561 -6.119 -1.864 1.00 0.18 N ATOM 625 CA GLY A 38 5.342 -6.845 -0.561 1.00 0.21 C ATOM 626 C GLY A 38 3.942 -7.486 -0.496 1.00 0.18 C ATOM 627 O GLY A 38 3.037 -7.096 -1.207 1.00 0.19 O ATOM 0 H GLY A 38 4.744 -5.630 -2.229 1.00 0.18 H new ATOM 0 HA2 GLY A 38 6.102 -7.617 -0.442 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.463 -6.149 0.269 1.00 0.21 H new ATOM 631 N THR A 39 3.775 -8.498 0.342 1.00 0.20 N ATOM 632 CA THR A 39 2.445 -9.192 0.430 1.00 0.25 C ATOM 633 C THR A 39 2.074 -9.587 1.863 1.00 0.23 C ATOM 634 O THR A 39 2.908 -9.908 2.679 1.00 0.22 O ATOM 635 CB THR A 39 2.487 -10.467 -0.408 1.00 0.28 C ATOM 636 OG1 THR A 39 3.722 -11.135 -0.188 1.00 0.43 O ATOM 637 CG2 THR A 39 2.356 -10.112 -1.882 1.00 0.56 C ATOM 0 H THR A 39 4.498 -8.866 0.960 1.00 0.20 H new ATOM 0 HA THR A 39 1.697 -8.488 0.065 1.00 0.25 H new ATOM 0 HB THR A 39 1.663 -11.120 -0.119 1.00 0.28 H new ATOM 0 HG1 THR A 39 3.750 -11.955 -0.724 1.00 0.43 H new ATOM 0 HG21 THR A 39 2.386 -11.023 -2.480 1.00 0.56 H new ATOM 0 HG22 THR A 39 1.409 -9.599 -2.050 1.00 0.56 H new ATOM 0 HG23 THR A 39 3.179 -9.459 -2.174 1.00 0.56 H new ATOM 645 N GLY A 40 0.792 -9.567 2.141 1.00 0.27 N ATOM 646 CA GLY A 40 0.273 -9.945 3.492 1.00 0.30 C ATOM 647 C GLY A 40 1.201 -9.425 4.590 1.00 0.29 C ATOM 648 O GLY A 40 0.994 -8.368 5.136 1.00 0.33 O ATOM 0 H GLY A 40 0.069 -9.299 1.473 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.728 -9.536 3.630 1.00 0.30 H new ATOM 0 HA3 GLY A 40 0.187 -11.029 3.564 1.00 0.30 H new ATOM 652 N ARG A 41 2.199 -10.182 4.938 1.00 0.27 N ATOM 653 CA ARG A 41 3.126 -9.740 6.019 1.00 0.28 C ATOM 654 C ARG A 41 4.173 -8.791 5.437 1.00 0.24 C ATOM 655 O ARG A 41 4.392 -7.709 5.946 1.00 0.25 O ATOM 656 CB ARG A 41 3.818 -10.956 6.643 1.00 0.31 C ATOM 657 CG ARG A 41 3.043 -12.234 6.306 1.00 0.64 C ATOM 658 CD ARG A 41 3.395 -13.325 7.318 1.00 0.92 C ATOM 659 NE ARG A 41 2.472 -13.234 8.485 1.00 1.69 N ATOM 660 CZ ARG A 41 2.626 -14.034 9.504 1.00 2.12 C ATOM 661 NH1 ARG A 41 3.585 -14.918 9.501 1.00 2.03 N ATOM 662 NH2 ARG A 41 1.819 -13.951 10.526 1.00 3.09 N ATOM 0 H ARG A 41 2.416 -11.088 4.523 1.00 0.27 H new ATOM 0 HA ARG A 41 2.557 -9.222 6.791 1.00 0.28 H new ATOM 0 HB2 ARG A 41 4.840 -11.033 6.272 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.880 -10.834 7.724 1.00 0.31 H new ATOM 0 HG2 ARG A 41 1.971 -12.038 6.325 1.00 0.64 H new ATOM 0 HG3 ARG A 41 3.289 -12.566 5.297 1.00 0.64 H new ATOM 0 HD2 ARG A 41 3.315 -14.307 6.853 1.00 0.92 H new ATOM 0 HD3 ARG A 41 4.428 -13.211 7.647 1.00 0.92 H new ATOM 0 HE ARG A 41 1.719 -12.546 8.487 1.00 1.69 H new ATOM 0 HH11 ARG A 41 4.215 -14.984 8.702 1.00 2.03 H new ATOM 0 HH12 ARG A 41 3.705 -15.543 10.298 1.00 2.03 H new ATOM 0 HH21 ARG A 41 1.068 -13.261 10.528 1.00 3.09 H new ATOM 0 HH22 ARG A 41 1.939 -14.576 11.323 1.00 3.09 H new ATOM 676 N GLU A 42 4.831 -9.188 4.386 1.00 0.21 N ATOM 677 CA GLU A 42 5.874 -8.315 3.785 1.00 0.18 C ATOM 678 C GLU A 42 5.230 -7.006 3.338 1.00 0.17 C ATOM 679 O GLU A 42 5.889 -5.993 3.184 1.00 0.18 O ATOM 680 CB GLU A 42 6.487 -9.022 2.570 1.00 0.16 C ATOM 681 CG GLU A 42 6.101 -10.505 2.582 1.00 0.20 C ATOM 682 CD GLU A 42 6.957 -11.275 1.578 1.00 0.22 C ATOM 683 OE1 GLU A 42 7.424 -10.663 0.633 1.00 1.06 O ATOM 684 OE2 GLU A 42 7.132 -12.466 1.773 1.00 1.09 O ATOM 0 H GLU A 42 4.691 -10.082 3.916 1.00 0.21 H new ATOM 0 HA GLU A 42 6.654 -8.110 4.519 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.137 -8.553 1.650 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.572 -8.919 2.587 1.00 0.16 H new ATOM 0 HG2 GLU A 42 6.239 -10.917 3.582 1.00 0.20 H new ATOM 0 HG3 GLU A 42 5.046 -10.617 2.334 1.00 0.20 H new ATOM 691 N ILE A 43 3.944 -7.020 3.136 1.00 0.19 N ATOM 692 CA ILE A 43 3.225 -5.795 2.709 1.00 0.20 C ATOM 693 C ILE A 43 3.514 -4.630 3.671 1.00 0.22 C ATOM 694 O ILE A 43 3.557 -3.485 3.271 1.00 0.24 O ATOM 695 CB ILE A 43 1.725 -6.116 2.730 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.987 -5.233 1.736 1.00 0.40 C ATOM 697 CG2 ILE A 43 1.166 -5.878 4.127 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.506 -5.570 1.751 1.00 0.87 C ATOM 0 H ILE A 43 3.353 -7.843 3.251 1.00 0.19 H new ATOM 0 HA ILE A 43 3.553 -5.497 1.713 1.00 0.20 H new ATOM 0 HB ILE A 43 1.586 -7.161 2.454 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.135 -4.183 1.989 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.392 -5.380 0.735 1.00 0.40 H new ATOM 0 HG21 ILE A 43 0.100 -6.107 4.136 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.682 -6.521 4.840 1.00 0.38 H new ATOM 0 HG23 ILE A 43 1.315 -4.835 4.406 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -1.030 -4.934 1.037 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.646 -6.616 1.477 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -0.907 -5.400 2.750 1.00 0.87 H new ATOM 710 N SER A 44 3.690 -4.910 4.936 1.00 0.24 N ATOM 711 CA SER A 44 3.947 -3.820 5.919 1.00 0.27 C ATOM 712 C SER A 44 5.426 -3.472 5.893 1.00 0.26 C ATOM 713 O SER A 44 5.823 -2.368 6.208 1.00 0.27 O ATOM 714 CB SER A 44 3.556 -4.302 7.316 1.00 0.31 C ATOM 715 OG SER A 44 4.646 -4.096 8.206 1.00 1.14 O ATOM 0 H SER A 44 3.666 -5.850 5.330 1.00 0.24 H new ATOM 0 HA SER A 44 3.359 -2.938 5.663 1.00 0.27 H new ATOM 0 HB2 SER A 44 2.677 -3.761 7.667 1.00 0.31 H new ATOM 0 HB3 SER A 44 3.289 -5.359 7.287 1.00 0.31 H new ATOM 0 HG SER A 44 4.330 -3.628 9.007 1.00 1.14 H new ATOM 721 N LYS A 45 6.240 -4.388 5.464 1.00 0.25 N ATOM 722 CA LYS A 45 7.678 -4.059 5.366 1.00 0.25 C ATOM 723 C LYS A 45 7.781 -2.977 4.299 1.00 0.23 C ATOM 724 O LYS A 45 8.087 -1.837 4.587 1.00 0.25 O ATOM 725 CB LYS A 45 8.492 -5.292 4.971 1.00 0.24 C ATOM 726 CG LYS A 45 8.222 -6.434 5.960 1.00 0.42 C ATOM 727 CD LYS A 45 8.946 -6.175 7.286 1.00 0.90 C ATOM 728 CE LYS A 45 8.887 -7.437 8.150 1.00 0.82 C ATOM 729 NZ LYS A 45 10.074 -8.292 7.864 1.00 1.86 N ATOM 0 H LYS A 45 5.977 -5.332 5.182 1.00 0.25 H new ATOM 0 HA LYS A 45 8.077 -3.718 6.321 1.00 0.25 H new ATOM 0 HB2 LYS A 45 8.228 -5.604 3.960 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.555 -5.050 4.963 1.00 0.24 H new ATOM 0 HG2 LYS A 45 7.150 -6.526 6.135 1.00 0.42 H new ATOM 0 HG3 LYS A 45 8.557 -7.380 5.534 1.00 0.42 H new ATOM 0 HD2 LYS A 45 9.983 -5.897 7.099 1.00 0.90 H new ATOM 0 HD3 LYS A 45 8.481 -5.340 7.810 1.00 0.90 H new ATOM 0 HE2 LYS A 45 8.866 -7.167 9.206 1.00 0.82 H new ATOM 0 HE3 LYS A 45 7.970 -7.989 7.944 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 10.008 -9.173 8.413 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 10.103 -8.518 6.849 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 10.941 -7.783 8.130 1.00 1.86 H new ATOM 743 N ALA A 46 7.532 -3.346 3.067 1.00 0.22 N ATOM 744 CA ALA A 46 7.606 -2.368 1.936 1.00 0.23 C ATOM 745 C ALA A 46 7.148 -0.976 2.398 1.00 0.22 C ATOM 746 O ALA A 46 7.787 0.021 2.123 1.00 0.29 O ATOM 747 CB ALA A 46 6.708 -2.849 0.791 1.00 0.25 C ATOM 0 H ALA A 46 7.277 -4.295 2.793 1.00 0.22 H new ATOM 0 HA ALA A 46 8.639 -2.300 1.594 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.759 -2.139 -0.035 1.00 0.25 H new ATOM 0 HB2 ALA A 46 7.046 -3.827 0.450 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.679 -2.923 1.142 1.00 0.25 H new ATOM 753 N VAL A 47 6.048 -0.900 3.099 1.00 0.17 N ATOM 754 CA VAL A 47 5.550 0.427 3.584 1.00 0.17 C ATOM 755 C VAL A 47 6.561 1.032 4.558 1.00 0.17 C ATOM 756 O VAL A 47 7.167 2.048 4.282 1.00 0.16 O ATOM 757 CB VAL A 47 4.199 0.244 4.295 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.781 1.546 4.998 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.134 -0.146 3.267 1.00 0.20 C ATOM 0 H VAL A 47 5.470 -1.699 3.359 1.00 0.17 H new ATOM 0 HA VAL A 47 5.424 1.096 2.732 1.00 0.17 H new ATOM 0 HB VAL A 47 4.297 -0.542 5.043 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.823 1.399 5.496 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.535 1.820 5.736 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.688 2.344 4.261 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.175 -0.276 3.768 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.047 0.640 2.517 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.420 -1.080 2.783 1.00 0.20 H new ATOM 769 N ASP A 48 6.734 0.423 5.696 1.00 0.20 N ATOM 770 CA ASP A 48 7.696 0.964 6.698 1.00 0.23 C ATOM 771 C ASP A 48 8.989 1.359 5.990 1.00 0.24 C ATOM 772 O ASP A 48 9.544 2.414 6.222 1.00 0.26 O ATOM 773 CB ASP A 48 7.992 -0.107 7.749 1.00 0.26 C ATOM 774 CG ASP A 48 8.444 0.562 9.048 1.00 0.44 C ATOM 775 OD1 ASP A 48 8.975 1.658 8.973 1.00 1.11 O ATOM 776 OD2 ASP A 48 8.251 -0.031 10.096 1.00 1.26 O ATOM 0 H ASP A 48 6.250 -0.429 5.978 1.00 0.20 H new ATOM 0 HA ASP A 48 7.266 1.839 7.186 1.00 0.23 H new ATOM 0 HB2 ASP A 48 7.102 -0.710 7.929 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.767 -0.782 7.387 1.00 0.26 H new ATOM 781 N VAL A 49 9.463 0.517 5.122 1.00 0.26 N ATOM 782 CA VAL A 49 10.715 0.840 4.391 1.00 0.30 C ATOM 783 C VAL A 49 10.596 2.249 3.799 1.00 0.29 C ATOM 784 O VAL A 49 11.428 3.101 4.038 1.00 0.29 O ATOM 785 CB VAL A 49 10.943 -0.172 3.266 1.00 0.37 C ATOM 786 CG1 VAL A 49 12.251 0.163 2.547 1.00 1.06 C ATOM 787 CG2 VAL A 49 11.036 -1.583 3.855 1.00 0.95 C ATOM 0 H VAL A 49 9.039 -0.380 4.886 1.00 0.26 H new ATOM 0 HA VAL A 49 11.559 0.796 5.079 1.00 0.30 H new ATOM 0 HB VAL A 49 10.112 -0.128 2.562 1.00 0.37 H new ATOM 0 HG11 VAL A 49 12.419 -0.555 1.744 1.00 1.06 H new ATOM 0 HG12 VAL A 49 12.189 1.168 2.129 1.00 1.06 H new ATOM 0 HG13 VAL A 49 13.078 0.115 3.255 1.00 1.06 H new ATOM 0 HG21 VAL A 49 11.198 -2.302 3.052 1.00 0.95 H new ATOM 0 HG22 VAL A 49 11.868 -1.630 4.558 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.108 -1.822 4.374 1.00 0.95 H new ATOM 797 N TYR A 50 9.573 2.503 3.024 1.00 0.31 N ATOM 798 CA TYR A 50 9.402 3.855 2.407 1.00 0.34 C ATOM 799 C TYR A 50 9.324 4.930 3.484 1.00 0.30 C ATOM 800 O TYR A 50 10.137 5.831 3.535 1.00 0.30 O ATOM 801 CB TYR A 50 8.104 3.878 1.602 1.00 0.40 C ATOM 802 CG TYR A 50 7.513 5.269 1.626 1.00 1.14 C ATOM 803 CD1 TYR A 50 7.955 6.233 0.712 1.00 2.13 C ATOM 804 CD2 TYR A 50 6.522 5.593 2.560 1.00 1.88 C ATOM 805 CE1 TYR A 50 7.407 7.522 0.734 1.00 2.97 C ATOM 806 CE2 TYR A 50 5.974 6.881 2.581 1.00 2.70 C ATOM 807 CZ TYR A 50 6.416 7.846 1.668 1.00 3.06 C ATOM 808 OH TYR A 50 5.877 9.115 1.690 1.00 4.02 O ATOM 0 H TYR A 50 8.844 1.829 2.790 1.00 0.31 H new ATOM 0 HA TYR A 50 10.258 4.054 1.762 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.297 3.572 0.574 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.394 3.164 2.019 1.00 0.40 H new ATOM 0 HD1 TYR A 50 8.718 5.983 -0.010 1.00 2.13 H new ATOM 0 HD2 TYR A 50 6.180 4.849 3.264 1.00 1.88 H new ATOM 0 HE1 TYR A 50 7.749 8.266 0.030 1.00 2.97 H new ATOM 0 HE2 TYR A 50 5.210 7.130 3.302 1.00 2.70 H new ATOM 0 HH TYR A 50 5.202 9.171 2.398 1.00 4.02 H new ATOM 818 N ASN A 51 8.352 4.842 4.345 1.00 0.30 N ATOM 819 CA ASN A 51 8.227 5.859 5.419 1.00 0.30 C ATOM 820 C ASN A 51 9.587 6.014 6.079 1.00 0.29 C ATOM 821 O ASN A 51 10.114 7.101 6.212 1.00 0.29 O ATOM 822 CB ASN A 51 7.207 5.381 6.448 1.00 0.32 C ATOM 823 CG ASN A 51 6.780 6.564 7.321 1.00 0.61 C ATOM 824 OD1 ASN A 51 7.296 6.751 8.405 1.00 1.34 O ATOM 825 ND2 ASN A 51 5.856 7.378 6.892 1.00 1.28 N ATOM 0 H ASN A 51 7.641 4.111 4.351 1.00 0.30 H new ATOM 0 HA ASN A 51 7.896 6.813 5.009 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.340 4.952 5.946 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.638 4.594 7.067 1.00 0.32 H new ATOM 0 HD21 ASN A 51 5.568 8.170 7.466 1.00 1.28 H new ATOM 0 HD22 ASN A 51 5.422 7.223 5.982 1.00 1.28 H new ATOM 832 N SER A 52 10.154 4.924 6.496 1.00 0.30 N ATOM 833 CA SER A 52 11.480 4.989 7.154 1.00 0.30 C ATOM 834 C SER A 52 12.500 5.544 6.157 1.00 0.29 C ATOM 835 O SER A 52 13.359 6.326 6.512 1.00 0.28 O ATOM 836 CB SER A 52 11.912 3.598 7.603 1.00 0.33 C ATOM 837 OG SER A 52 10.799 2.918 8.166 1.00 1.04 O ATOM 0 H SER A 52 9.756 3.989 6.409 1.00 0.30 H new ATOM 0 HA SER A 52 11.420 5.637 8.028 1.00 0.30 H new ATOM 0 HB2 SER A 52 12.305 3.036 6.756 1.00 0.33 H new ATOM 0 HB3 SER A 52 12.715 3.673 8.336 1.00 0.33 H new ATOM 0 HG SER A 52 10.387 2.345 7.486 1.00 1.04 H new ATOM 843 N LEU A 53 12.410 5.160 4.908 1.00 0.28 N ATOM 844 CA LEU A 53 13.369 5.681 3.900 1.00 0.28 C ATOM 845 C LEU A 53 13.029 7.140 3.602 1.00 0.26 C ATOM 846 O LEU A 53 13.877 7.927 3.237 1.00 0.26 O ATOM 847 CB LEU A 53 13.245 4.871 2.603 1.00 0.28 C ATOM 848 CG LEU A 53 14.380 5.236 1.639 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.668 4.486 2.006 1.00 0.44 C ATOM 850 CD2 LEU A 53 13.963 4.837 0.228 1.00 0.40 C ATOM 0 H LEU A 53 11.713 4.509 4.548 1.00 0.28 H new ATOM 0 HA LEU A 53 14.385 5.599 4.287 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.278 3.805 2.827 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.282 5.069 2.133 1.00 0.28 H new ATOM 0 HG LEU A 53 14.569 6.308 1.702 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.460 4.760 1.309 1.00 0.44 H new ATOM 0 HD12 LEU A 53 15.968 4.753 3.019 1.00 0.44 H new ATOM 0 HD13 LEU A 53 15.492 3.412 1.951 1.00 0.44 H new ATOM 0 HD21 LEU A 53 14.759 5.090 -0.472 1.00 0.40 H new ATOM 0 HD22 LEU A 53 13.777 3.764 0.194 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.054 5.372 -0.048 1.00 0.40 H new ATOM 862 N LYS A 54 11.816 7.543 3.819 1.00 0.26 N ATOM 863 CA LYS A 54 11.478 8.963 3.577 1.00 0.27 C ATOM 864 C LYS A 54 11.928 9.747 4.798 1.00 0.29 C ATOM 865 O LYS A 54 12.477 10.829 4.710 1.00 0.28 O ATOM 866 CB LYS A 54 9.964 9.093 3.404 1.00 0.30 C ATOM 867 CG LYS A 54 9.616 10.486 2.867 1.00 0.55 C ATOM 868 CD LYS A 54 9.158 11.399 4.009 1.00 0.27 C ATOM 869 CE LYS A 54 8.671 12.726 3.427 1.00 0.36 C ATOM 870 NZ LYS A 54 9.070 13.841 4.332 1.00 1.00 N ATOM 0 H LYS A 54 11.050 6.957 4.151 1.00 0.26 H new ATOM 0 HA LYS A 54 11.967 9.340 2.679 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.601 8.328 2.717 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.465 8.927 4.359 1.00 0.30 H new ATOM 0 HG2 LYS A 54 10.485 10.920 2.372 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.829 10.408 2.117 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.358 10.921 4.574 1.00 0.27 H new ATOM 0 HD3 LYS A 54 9.980 11.573 4.704 1.00 0.27 H new ATOM 0 HE2 LYS A 54 9.096 12.878 2.435 1.00 0.36 H new ATOM 0 HE3 LYS A 54 7.587 12.708 3.310 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 9.086 14.733 3.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 8.386 13.917 5.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 10.017 13.652 4.719 1.00 1.00 H new ATOM 884 N ASP A 55 11.716 9.165 5.935 1.00 0.34 N ATOM 885 CA ASP A 55 12.134 9.796 7.208 1.00 0.38 C ATOM 886 C ASP A 55 13.599 10.157 7.088 1.00 0.40 C ATOM 887 O ASP A 55 14.142 10.900 7.879 1.00 0.47 O ATOM 888 CB ASP A 55 11.979 8.787 8.346 1.00 0.43 C ATOM 889 CG ASP A 55 10.526 8.755 8.816 1.00 0.85 C ATOM 890 OD1 ASP A 55 9.919 9.811 8.874 1.00 1.48 O ATOM 891 OD2 ASP A 55 10.047 7.674 9.118 1.00 1.58 O ATOM 0 H ASP A 55 11.261 8.258 6.039 1.00 0.34 H new ATOM 0 HA ASP A 55 11.526 10.678 7.410 1.00 0.38 H new ATOM 0 HB2 ASP A 55 12.284 7.796 8.009 1.00 0.43 H new ATOM 0 HB3 ASP A 55 12.633 9.057 9.175 1.00 0.43 H new ATOM 896 N ARG A 56 14.248 9.614 6.102 1.00 0.36 N ATOM 897 CA ARG A 56 15.677 9.896 5.919 1.00 0.40 C ATOM 898 C ARG A 56 15.899 11.389 5.806 1.00 0.40 C ATOM 899 O ARG A 56 16.691 11.967 6.524 1.00 0.43 O ATOM 900 CB ARG A 56 16.097 9.198 4.647 1.00 0.44 C ATOM 901 CG ARG A 56 15.942 7.691 4.862 1.00 0.81 C ATOM 902 CD ARG A 56 16.934 7.168 5.901 1.00 0.67 C ATOM 903 NE ARG A 56 18.177 7.991 5.902 1.00 1.00 N ATOM 904 CZ ARG A 56 18.921 8.058 6.973 1.00 1.24 C ATOM 905 NH1 ARG A 56 18.592 7.387 8.043 1.00 1.52 N ATOM 906 NH2 ARG A 56 20.000 8.793 6.971 1.00 1.69 N ATOM 0 H ARG A 56 13.839 8.983 5.414 1.00 0.36 H new ATOM 0 HA ARG A 56 16.264 9.541 6.766 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.482 9.529 3.810 1.00 0.44 H new ATOM 0 HB3 ARG A 56 17.130 9.444 4.401 1.00 0.44 H new ATOM 0 HG2 ARG A 56 14.925 7.471 5.186 1.00 0.81 H new ATOM 0 HG3 ARG A 56 16.095 7.170 3.917 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.477 7.189 6.890 1.00 0.67 H new ATOM 0 HD3 ARG A 56 17.180 6.128 5.685 1.00 0.67 H new ATOM 0 HE ARG A 56 18.447 8.504 5.063 1.00 1.00 H new ATOM 0 HH11 ARG A 56 17.752 6.808 8.044 1.00 1.52 H new ATOM 0 HH12 ARG A 56 19.175 7.441 8.878 1.00 1.52 H new ATOM 0 HH21 ARG A 56 20.261 9.314 6.134 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.582 8.846 7.807 1.00 1.69 H new ATOM 920 N LEU A 57 15.208 12.025 4.918 1.00 0.38 N ATOM 921 CA LEU A 57 15.393 13.489 4.779 1.00 0.42 C ATOM 922 C LEU A 57 14.214 14.091 4.036 1.00 0.39 C ATOM 923 O LEU A 57 14.119 15.294 3.898 1.00 0.41 O ATOM 924 CB LEU A 57 16.684 13.773 4.010 1.00 0.51 C ATOM 925 CG LEU A 57 17.211 15.156 4.398 1.00 1.11 C ATOM 926 CD1 LEU A 57 18.142 15.029 5.604 1.00 1.63 C ATOM 927 CD2 LEU A 57 17.982 15.755 3.221 1.00 1.66 C ATOM 0 H LEU A 57 14.528 11.603 4.286 1.00 0.38 H new ATOM 0 HA LEU A 57 15.456 13.937 5.771 1.00 0.42 H new ATOM 0 HB2 LEU A 57 17.430 13.011 4.235 1.00 0.51 H new ATOM 0 HB3 LEU A 57 16.498 13.730 2.937 1.00 0.51 H new ATOM 0 HG LEU A 57 16.373 15.805 4.653 1.00 1.11 H new ATOM 0 HD11 LEU A 57 18.517 16.015 5.880 1.00 1.63 H new ATOM 0 HD12 LEU A 57 17.594 14.602 6.443 1.00 1.63 H new ATOM 0 HD13 LEU A 57 18.980 14.380 5.350 1.00 1.63 H new ATOM 0 HD21 LEU A 57 18.358 16.740 3.496 1.00 1.66 H new ATOM 0 HD22 LEU A 57 18.819 15.105 2.966 1.00 1.66 H new ATOM 0 HD23 LEU A 57 17.319 15.847 2.361 1.00 1.66 H new ATOM 939 N GLY A 58 13.298 13.281 3.577 1.00 0.39 N ATOM 940 CA GLY A 58 12.118 13.834 2.856 1.00 0.38 C ATOM 941 C GLY A 58 12.557 14.512 1.556 1.00 0.33 C ATOM 942 O GLY A 58 12.015 14.263 0.498 1.00 0.31 O ATOM 0 H GLY A 58 13.316 12.265 3.670 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.411 13.034 2.636 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.599 14.552 3.491 1.00 0.38 H new ATOM 946 N ASP A 59 13.519 15.386 1.633 1.00 0.37 N ATOM 947 CA ASP A 59 13.982 16.107 0.418 1.00 0.38 C ATOM 948 C ASP A 59 14.759 15.167 -0.498 1.00 0.30 C ATOM 949 O ASP A 59 14.616 15.215 -1.700 1.00 0.32 O ATOM 950 CB ASP A 59 14.885 17.267 0.836 1.00 0.47 C ATOM 951 CG ASP A 59 14.376 18.564 0.204 1.00 0.57 C ATOM 952 OD1 ASP A 59 13.292 18.990 0.566 1.00 1.06 O ATOM 953 OD2 ASP A 59 15.079 19.109 -0.631 1.00 1.38 O ATOM 0 H ASP A 59 14.008 15.634 2.493 1.00 0.37 H new ATOM 0 HA ASP A 59 13.113 16.484 -0.122 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.897 17.359 1.922 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.911 17.075 0.521 1.00 0.47 H new ATOM 958 N GLY A 60 15.595 14.332 0.044 1.00 0.26 N ATOM 959 CA GLY A 60 16.387 13.420 -0.815 1.00 0.24 C ATOM 960 C GLY A 60 15.603 12.141 -1.068 1.00 0.23 C ATOM 961 O GLY A 60 16.173 11.106 -1.336 1.00 0.24 O ATOM 0 H GLY A 60 15.763 14.243 1.046 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.620 13.908 -1.761 1.00 0.24 H new ATOM 0 HA3 GLY A 60 17.337 13.186 -0.334 1.00 0.24 H new ATOM 965 N VAL A 61 14.303 12.190 -0.993 1.00 0.22 N ATOM 966 CA VAL A 61 13.496 10.968 -1.237 1.00 0.22 C ATOM 967 C VAL A 61 12.102 11.397 -1.693 1.00 0.22 C ATOM 968 O VAL A 61 11.511 12.301 -1.135 1.00 0.28 O ATOM 969 CB VAL A 61 13.377 10.155 0.052 1.00 0.25 C ATOM 970 CG1 VAL A 61 12.303 9.082 -0.135 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.717 9.484 0.372 1.00 0.38 C ATOM 0 H VAL A 61 13.765 13.028 -0.772 1.00 0.22 H new ATOM 0 HA VAL A 61 13.976 10.354 -1.999 1.00 0.22 H new ATOM 0 HB VAL A 61 13.105 10.816 0.875 1.00 0.25 H new ATOM 0 HG11 VAL A 61 12.211 8.496 0.780 1.00 0.34 H new ATOM 0 HG12 VAL A 61 11.348 9.558 -0.359 1.00 0.34 H new ATOM 0 HG13 VAL A 61 12.584 8.426 -0.959 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.624 8.907 1.292 1.00 0.38 H new ATOM 0 HG22 VAL A 61 14.996 8.820 -0.446 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.485 10.247 0.499 1.00 0.38 H new ATOM 981 N GLN A 62 11.594 10.788 -2.731 1.00 0.20 N ATOM 982 CA GLN A 62 10.261 11.197 -3.255 1.00 0.21 C ATOM 983 C GLN A 62 9.421 9.994 -3.682 1.00 0.22 C ATOM 984 O GLN A 62 9.918 8.937 -4.007 1.00 0.21 O ATOM 985 CB GLN A 62 10.463 12.091 -4.473 1.00 0.23 C ATOM 986 CG GLN A 62 10.842 13.501 -4.021 1.00 0.34 C ATOM 987 CD GLN A 62 9.592 14.252 -3.560 1.00 0.50 C ATOM 988 OE1 GLN A 62 9.010 15.006 -4.314 1.00 1.14 O ATOM 989 NE2 GLN A 62 9.154 14.082 -2.342 1.00 1.31 N ATOM 0 H GLN A 62 12.045 10.026 -3.237 1.00 0.20 H new ATOM 0 HA GLN A 62 9.736 11.720 -2.456 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.246 11.681 -5.111 1.00 0.23 H new ATOM 0 HB3 GLN A 62 9.550 12.123 -5.068 1.00 0.23 H new ATOM 0 HG2 GLN A 62 11.567 13.450 -3.208 1.00 0.34 H new ATOM 0 HG3 GLN A 62 11.319 14.039 -4.840 1.00 0.34 H new ATOM 0 HE21 GLN A 62 9.642 13.449 -1.708 1.00 1.31 H new ATOM 0 HE22 GLN A 62 8.324 14.582 -2.024 1.00 1.31 H new ATOM 998 N LEU A 63 8.136 10.197 -3.697 1.00 0.25 N ATOM 999 CA LEU A 63 7.179 9.136 -4.113 1.00 0.26 C ATOM 1000 C LEU A 63 6.818 9.356 -5.581 1.00 0.29 C ATOM 1001 O LEU A 63 6.270 10.382 -5.932 1.00 0.34 O ATOM 1002 CB LEU A 63 5.922 9.245 -3.245 1.00 0.29 C ATOM 1003 CG LEU A 63 4.922 8.142 -3.616 1.00 0.29 C ATOM 1004 CD1 LEU A 63 4.283 7.570 -2.344 1.00 0.49 C ATOM 1005 CD2 LEU A 63 3.818 8.722 -4.505 1.00 0.48 C ATOM 0 H LEU A 63 7.697 11.078 -3.431 1.00 0.25 H new ATOM 0 HA LEU A 63 7.620 8.147 -3.991 1.00 0.26 H new ATOM 0 HB2 LEU A 63 6.191 9.163 -2.192 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.462 10.224 -3.381 1.00 0.29 H new ATOM 0 HG LEU A 63 5.451 7.353 -4.150 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.574 6.787 -2.613 1.00 0.49 H new ATOM 0 HD12 LEU A 63 5.059 7.152 -1.703 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.761 8.364 -1.810 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.110 7.935 -4.766 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.297 9.515 -3.968 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.260 9.129 -5.415 1.00 0.48 H new ATOM 1017 N VAL A 64 7.119 8.415 -6.437 1.00 0.29 N ATOM 1018 CA VAL A 64 6.786 8.592 -7.884 1.00 0.33 C ATOM 1019 C VAL A 64 5.636 7.676 -8.279 1.00 0.32 C ATOM 1020 O VAL A 64 5.008 7.886 -9.297 1.00 0.37 O ATOM 1021 CB VAL A 64 7.989 8.263 -8.768 1.00 0.36 C ATOM 1022 CG1 VAL A 64 8.769 9.543 -9.069 1.00 1.12 C ATOM 1023 CG2 VAL A 64 8.882 7.242 -8.064 1.00 1.35 C ATOM 0 H VAL A 64 7.578 7.536 -6.200 1.00 0.29 H new ATOM 0 HA VAL A 64 6.503 9.635 -8.029 1.00 0.33 H new ATOM 0 HB VAL A 64 7.645 7.833 -9.709 1.00 0.36 H new ATOM 0 HG11 VAL A 64 9.626 9.307 -9.699 1.00 1.12 H new ATOM 0 HG12 VAL A 64 8.121 10.250 -9.587 1.00 1.12 H new ATOM 0 HG13 VAL A 64 9.116 9.986 -8.135 1.00 1.12 H new ATOM 0 HG21 VAL A 64 9.738 7.010 -8.697 1.00 1.35 H new ATOM 0 HG22 VAL A 64 9.232 7.655 -7.118 1.00 1.35 H new ATOM 0 HG23 VAL A 64 8.314 6.331 -7.874 1.00 1.35 H new ATOM 1033 N ASN A 65 5.325 6.668 -7.505 1.00 0.28 N ATOM 1034 CA ASN A 65 4.187 5.794 -7.907 1.00 0.29 C ATOM 1035 C ASN A 65 3.915 4.749 -6.821 1.00 0.26 C ATOM 1036 O ASN A 65 4.795 4.373 -6.077 1.00 0.24 O ATOM 1037 CB ASN A 65 4.548 5.096 -9.216 1.00 0.30 C ATOM 1038 CG ASN A 65 3.592 5.531 -10.334 1.00 0.38 C ATOM 1039 OD1 ASN A 65 3.235 4.737 -11.181 1.00 1.20 O ATOM 1040 ND2 ASN A 65 3.161 6.763 -10.378 1.00 0.98 N ATOM 0 H ASN A 65 5.796 6.418 -6.636 1.00 0.28 H new ATOM 0 HA ASN A 65 3.289 6.398 -8.040 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.575 5.336 -9.493 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.497 4.015 -9.085 1.00 0.30 H new ATOM 0 HD21 ASN A 65 2.527 7.055 -11.122 1.00 0.98 H new ATOM 0 HD22 ASN A 65 3.458 7.433 -9.669 1.00 0.98 H new ATOM 1047 N VAL A 66 2.696 4.280 -6.738 1.00 0.27 N ATOM 1048 CA VAL A 66 2.335 3.256 -5.715 1.00 0.25 C ATOM 1049 C VAL A 66 1.060 2.547 -6.169 1.00 0.26 C ATOM 1050 O VAL A 66 0.109 3.177 -6.589 1.00 0.29 O ATOM 1051 CB VAL A 66 2.062 3.921 -4.354 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.592 2.864 -3.349 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.334 4.578 -3.813 1.00 0.63 C ATOM 0 H VAL A 66 1.927 4.567 -7.344 1.00 0.27 H new ATOM 0 HA VAL A 66 3.162 2.553 -5.609 1.00 0.25 H new ATOM 0 HB VAL A 66 1.292 4.681 -4.491 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.399 3.337 -2.386 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.677 2.397 -3.713 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.365 2.104 -3.232 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.122 5.043 -2.850 1.00 0.63 H new ATOM 0 HG22 VAL A 66 4.109 3.822 -3.688 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.678 5.338 -4.515 1.00 0.63 H new ATOM 1063 N GLN A 67 1.037 1.246 -6.095 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.176 0.507 -6.529 1.00 0.27 C ATOM 1065 C GLN A 67 -0.408 -0.709 -5.643 1.00 0.25 C ATOM 1066 O GLN A 67 0.453 -1.150 -4.909 1.00 0.25 O ATOM 1067 CB GLN A 67 -0.016 0.052 -7.981 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.392 -0.001 -8.645 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.249 -0.520 -10.077 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -0.270 -1.157 -10.410 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -2.191 -0.273 -10.945 1.00 1.41 N ATOM 0 H GLN A 67 1.803 0.666 -5.754 1.00 0.25 H new ATOM 0 HA GLN A 67 -1.034 1.175 -6.446 1.00 0.27 H new ATOM 0 HB2 GLN A 67 0.635 0.740 -8.521 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.457 -0.929 -8.017 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -2.057 -0.651 -8.076 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -1.843 0.991 -8.650 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -3.014 0.262 -10.666 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -2.105 -0.615 -11.902 1.00 1.41 H new ATOM 1080 N THR A 68 -1.596 -1.222 -5.704 1.00 0.26 N ATOM 1081 CA THR A 68 -1.965 -2.392 -4.869 1.00 0.27 C ATOM 1082 C THR A 68 -2.746 -3.374 -5.723 1.00 0.30 C ATOM 1083 O THR A 68 -3.343 -3.007 -6.716 1.00 0.43 O ATOM 1084 CB THR A 68 -2.838 -1.909 -3.706 1.00 0.35 C ATOM 1085 OG1 THR A 68 -3.673 -0.852 -4.153 1.00 0.52 O ATOM 1086 CG2 THR A 68 -1.945 -1.407 -2.572 1.00 0.46 C ATOM 0 H THR A 68 -2.342 -0.875 -6.307 1.00 0.26 H new ATOM 0 HA THR A 68 -1.072 -2.880 -4.478 1.00 0.27 H new ATOM 0 HB THR A 68 -3.453 -2.733 -3.345 1.00 0.35 H new ATOM 0 HG1 THR A 68 -4.569 -1.200 -4.341 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.566 -1.063 -1.745 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.301 -2.217 -2.230 1.00 0.46 H new ATOM 0 HG23 THR A 68 -1.330 -0.582 -2.931 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.769 -4.617 -5.345 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.535 -5.632 -6.124 1.00 0.38 C ATOM 1096 C GLY A 69 -3.466 -6.958 -5.356 1.00 0.31 C ATOM 1097 O GLY A 69 -2.468 -7.266 -4.738 1.00 0.40 O ATOM 0 H GLY A 69 -2.287 -4.980 -4.523 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.571 -5.316 -6.250 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.113 -5.746 -7.123 1.00 0.38 H new ATOM 1101 N SER A 70 -4.505 -7.746 -5.386 1.00 0.42 N ATOM 1102 CA SER A 70 -4.479 -9.045 -4.664 1.00 0.34 C ATOM 1103 C SER A 70 -4.068 -10.148 -5.626 1.00 0.32 C ATOM 1104 O SER A 70 -4.154 -9.997 -6.829 1.00 0.33 O ATOM 1105 CB SER A 70 -5.859 -9.347 -4.082 1.00 0.32 C ATOM 1106 OG SER A 70 -6.788 -9.523 -5.142 1.00 0.34 O ATOM 0 H SER A 70 -5.373 -7.544 -5.882 1.00 0.42 H new ATOM 0 HA SER A 70 -3.759 -8.990 -3.847 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.818 -10.246 -3.466 1.00 0.32 H new ATOM 0 HB3 SER A 70 -6.179 -8.531 -3.434 1.00 0.32 H new ATOM 0 HG SER A 70 -7.674 -9.718 -4.771 1.00 0.34 H new ATOM 1112 N GLU A 71 -3.610 -11.257 -5.118 1.00 0.33 N ATOM 1113 CA GLU A 71 -3.191 -12.345 -6.036 1.00 0.35 C ATOM 1114 C GLU A 71 -3.132 -13.680 -5.312 1.00 0.35 C ATOM 1115 O GLU A 71 -3.343 -13.775 -4.120 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.814 -12.023 -6.584 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.870 -11.716 -5.431 1.00 0.54 C ATOM 1118 CD GLU A 71 0.438 -12.486 -5.627 1.00 0.59 C ATOM 1119 OE1 GLU A 71 1.251 -12.041 -6.421 1.00 1.29 O ATOM 1120 OE2 GLU A 71 0.604 -13.508 -4.982 1.00 1.12 O ATOM 0 H GLU A 71 -3.509 -11.454 -4.122 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.921 -12.419 -6.842 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -1.435 -12.865 -7.164 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -1.870 -11.170 -7.260 1.00 0.45 H new ATOM 0 HG2 GLU A 71 -0.671 -10.645 -5.384 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -1.331 -11.996 -4.484 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.840 -14.714 -6.044 1.00 0.43 N ATOM 1128 CA VAL A 72 -2.755 -16.057 -5.431 1.00 0.51 C ATOM 1129 C VAL A 72 -1.329 -16.322 -4.959 1.00 0.58 C ATOM 1130 O VAL A 72 -0.375 -16.137 -5.687 1.00 0.93 O ATOM 1131 CB VAL A 72 -3.164 -17.119 -6.454 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -4.192 -18.063 -5.829 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -3.777 -16.441 -7.683 1.00 1.02 C ATOM 0 H VAL A 72 -2.656 -14.683 -7.047 1.00 0.43 H new ATOM 0 HA VAL A 72 -3.429 -16.102 -4.576 1.00 0.51 H new ATOM 0 HB VAL A 72 -2.284 -17.687 -6.755 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.483 -18.819 -6.559 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -3.756 -18.549 -4.956 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -5.071 -17.494 -5.526 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -4.067 -17.199 -8.410 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -4.656 -15.870 -7.383 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -3.044 -15.770 -8.132 1.00 1.02 H new ATOM 1143 N ARG A 73 -1.183 -16.776 -3.745 1.00 0.44 N ATOM 1144 CA ARG A 73 0.172 -17.080 -3.220 1.00 0.48 C ATOM 1145 C ARG A 73 0.064 -18.235 -2.225 1.00 0.54 C ATOM 1146 O ARG A 73 -0.366 -18.055 -1.104 1.00 0.55 O ATOM 1147 CB ARG A 73 0.724 -15.839 -2.517 1.00 0.43 C ATOM 1148 CG ARG A 73 2.257 -15.878 -2.425 1.00 0.53 C ATOM 1149 CD ARG A 73 2.790 -14.450 -2.548 1.00 0.62 C ATOM 1150 NE ARG A 73 4.161 -14.363 -1.966 1.00 0.89 N ATOM 1151 CZ ARG A 73 5.164 -14.973 -2.541 1.00 1.42 C ATOM 1152 NH1 ARG A 73 4.972 -15.682 -3.618 1.00 2.23 N ATOM 1153 NH2 ARG A 73 6.362 -14.867 -2.039 1.00 1.70 N ATOM 0 H ARG A 73 -1.949 -16.949 -3.094 1.00 0.44 H new ATOM 0 HA ARG A 73 0.841 -17.360 -4.034 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.414 -14.945 -3.058 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.300 -15.768 -1.515 1.00 0.43 H new ATOM 0 HG2 ARG A 73 2.568 -16.317 -1.477 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.668 -16.505 -3.217 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.812 -14.151 -3.596 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.123 -13.759 -2.033 1.00 0.62 H new ATOM 0 HE ARG A 73 4.317 -13.824 -1.114 1.00 0.89 H new ATOM 0 HH11 ARG A 73 4.036 -15.763 -4.015 1.00 2.23 H new ATOM 0 HH12 ARG A 73 5.758 -16.156 -4.063 1.00 2.23 H new ATOM 0 HH21 ARG A 73 6.515 -14.309 -1.199 1.00 1.70 H new ATOM 0 HH22 ARG A 73 7.146 -15.342 -2.486 1.00 1.70 H new ATOM 1167 N ASP A 74 0.445 -19.417 -2.649 1.00 0.60 N ATOM 1168 CA ASP A 74 0.383 -20.629 -1.773 1.00 0.68 C ATOM 1169 C ASP A 74 -0.999 -21.281 -1.873 1.00 0.68 C ATOM 1170 O ASP A 74 -1.528 -21.782 -0.900 1.00 0.69 O ATOM 1171 CB ASP A 74 0.674 -20.258 -0.318 1.00 0.68 C ATOM 1172 CG ASP A 74 1.300 -21.457 0.398 1.00 0.79 C ATOM 1173 OD1 ASP A 74 0.691 -22.513 0.386 1.00 1.27 O ATOM 1174 OD2 ASP A 74 2.378 -21.297 0.946 1.00 1.38 O ATOM 0 H ASP A 74 0.804 -19.595 -3.587 1.00 0.60 H new ATOM 0 HA ASP A 74 1.140 -21.336 -2.112 1.00 0.68 H new ATOM 0 HB2 ASP A 74 1.349 -19.403 -0.277 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.247 -19.961 0.184 1.00 0.68 H new ATOM 1179 N ARG A 75 -1.592 -21.270 -3.044 1.00 0.67 N ATOM 1180 CA ARG A 75 -2.946 -21.884 -3.228 1.00 0.69 C ATOM 1181 C ARG A 75 -3.975 -21.094 -2.419 1.00 0.59 C ATOM 1182 O ARG A 75 -4.949 -21.623 -1.922 1.00 0.64 O ATOM 1183 CB ARG A 75 -2.936 -23.359 -2.794 1.00 0.79 C ATOM 1184 CG ARG A 75 -3.043 -24.247 -4.033 1.00 0.87 C ATOM 1185 CD ARG A 75 -1.867 -23.956 -4.963 1.00 0.85 C ATOM 1186 NE ARG A 75 -1.223 -25.238 -5.368 1.00 1.25 N ATOM 1187 CZ ARG A 75 -0.432 -25.271 -6.405 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -0.204 -24.182 -7.086 1.00 2.62 N ATOM 1189 NH2 ARG A 75 0.129 -26.394 -6.761 1.00 2.29 N ATOM 0 H ARG A 75 -1.192 -20.858 -3.887 1.00 0.67 H new ATOM 0 HA ARG A 75 -3.214 -21.847 -4.284 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -2.020 -23.584 -2.248 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -3.767 -23.557 -2.117 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -3.041 -25.298 -3.743 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -3.985 -24.060 -4.549 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -2.212 -23.416 -5.845 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -1.142 -23.316 -4.460 1.00 0.85 H new ATOM 0 HE ARG A 75 -1.401 -26.089 -4.835 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -0.644 -23.305 -6.808 1.00 2.62 H new ATOM 0 HH12 ARG A 75 0.414 -24.208 -7.897 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -0.051 -27.245 -6.229 1.00 2.29 H new ATOM 0 HH22 ARG A 75 0.748 -26.421 -7.572 1.00 2.29 H new ATOM 1203 N ARG A 76 -3.774 -19.817 -2.310 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.746 -18.987 -1.559 1.00 0.38 C ATOM 1205 C ARG A 76 -4.627 -17.531 -1.998 1.00 0.34 C ATOM 1206 O ARG A 76 -3.601 -17.107 -2.490 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.471 -19.088 -0.061 1.00 0.37 C ATOM 1208 CG ARG A 76 -5.757 -19.487 0.670 1.00 0.63 C ATOM 1209 CD ARG A 76 -5.610 -19.171 2.151 1.00 1.28 C ATOM 1210 NE ARG A 76 -4.441 -19.908 2.708 1.00 1.50 N ATOM 1211 CZ ARG A 76 -3.966 -19.586 3.879 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -4.517 -18.621 4.563 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -2.940 -20.229 4.368 1.00 2.82 N ATOM 0 H ARG A 76 -2.981 -19.312 -2.707 1.00 0.46 H new ATOM 0 HA ARG A 76 -5.753 -19.349 -1.765 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.690 -19.825 0.127 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -4.106 -18.133 0.318 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -6.608 -18.948 0.254 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -5.954 -20.550 0.531 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -5.477 -18.098 2.292 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -6.518 -19.453 2.685 1.00 1.28 H new ATOM 0 HE ARG A 76 -4.013 -20.664 2.174 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -5.319 -18.119 4.182 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -4.146 -18.369 5.479 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -2.509 -20.984 3.834 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -2.569 -19.976 5.284 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.670 -16.765 -1.844 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.591 -15.346 -2.284 1.00 0.31 C ATOM 1229 C ARG A 77 -5.009 -14.497 -1.183 1.00 0.27 C ATOM 1230 O ARG A 77 -5.300 -14.659 -0.014 1.00 0.29 O ATOM 1231 CB ARG A 77 -6.969 -14.801 -2.650 1.00 0.34 C ATOM 1232 CG ARG A 77 -6.817 -13.358 -3.151 1.00 0.58 C ATOM 1233 CD ARG A 77 -7.529 -13.199 -4.490 1.00 0.47 C ATOM 1234 NE ARG A 77 -8.889 -13.804 -4.408 1.00 1.21 N ATOM 1235 CZ ARG A 77 -9.495 -14.199 -5.494 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -8.919 -14.050 -6.655 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -10.680 -14.741 -5.419 1.00 2.44 N ATOM 0 H ARG A 77 -6.560 -17.054 -1.439 1.00 0.32 H new ATOM 0 HA ARG A 77 -4.952 -15.308 -3.166 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.427 -15.421 -3.421 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.629 -14.831 -1.783 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -7.235 -12.664 -2.422 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -5.761 -13.110 -3.258 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -7.605 -12.143 -4.750 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -6.952 -13.681 -5.279 1.00 0.47 H new ATOM 0 HE ARG A 77 -9.346 -13.909 -3.502 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -7.994 -13.624 -6.714 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -9.394 -14.359 -7.503 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -11.132 -14.856 -4.512 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -11.154 -15.050 -6.268 1.00 2.44 H new ATOM 1251 N ILE A 78 -4.151 -13.611 -1.566 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.480 -12.748 -0.588 1.00 0.20 C ATOM 1253 C ILE A 78 -3.323 -11.347 -1.169 1.00 0.19 C ATOM 1254 O ILE A 78 -3.374 -11.148 -2.367 1.00 0.21 O ATOM 1255 CB ILE A 78 -2.115 -13.346 -0.309 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.316 -12.372 0.497 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.384 -13.623 -1.622 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.162 -13.097 1.186 1.00 0.23 C ATOM 0 H ILE A 78 -3.884 -13.448 -2.537 1.00 0.23 H new ATOM 0 HA ILE A 78 -4.061 -12.680 0.332 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.237 -14.282 0.237 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.929 -11.583 -0.148 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -1.952 -11.892 1.241 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.405 -14.052 -1.410 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.965 -14.324 -2.221 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.260 -12.691 -2.173 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.418 -12.384 1.772 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.559 -13.870 1.844 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.480 -13.556 0.434 1.00 0.23 H new ATOM 1270 N SER A 79 -3.187 -10.376 -0.325 1.00 0.20 N ATOM 1271 CA SER A 79 -3.090 -8.980 -0.812 1.00 0.22 C ATOM 1272 C SER A 79 -1.632 -8.638 -1.137 1.00 0.19 C ATOM 1273 O SER A 79 -0.703 -9.187 -0.579 1.00 0.22 O ATOM 1274 CB SER A 79 -3.614 -8.037 0.273 1.00 0.28 C ATOM 1275 OG SER A 79 -2.588 -7.132 0.647 1.00 0.74 O ATOM 0 H SER A 79 -3.138 -10.487 0.688 1.00 0.20 H new ATOM 0 HA SER A 79 -3.686 -8.867 -1.718 1.00 0.22 H new ATOM 0 HB2 SER A 79 -4.481 -7.489 -0.094 1.00 0.28 H new ATOM 0 HB3 SER A 79 -3.943 -8.610 1.140 1.00 0.28 H new ATOM 0 HG SER A 79 -2.477 -6.456 -0.054 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.450 -7.738 -2.062 1.00 0.19 N ATOM 1282 CA TYR A 80 -0.077 -7.333 -2.488 1.00 0.25 C ATOM 1283 C TYR A 80 -0.043 -5.803 -2.597 1.00 0.22 C ATOM 1284 O TYR A 80 -0.941 -5.188 -3.139 1.00 0.21 O ATOM 1285 CB TYR A 80 0.212 -7.993 -3.854 1.00 0.40 C ATOM 1286 CG TYR A 80 1.693 -8.232 -4.101 1.00 0.93 C ATOM 1287 CD1 TYR A 80 2.625 -7.222 -3.888 1.00 1.68 C ATOM 1288 CD2 TYR A 80 2.130 -9.482 -4.572 1.00 1.82 C ATOM 1289 CE1 TYR A 80 3.973 -7.450 -4.126 1.00 2.66 C ATOM 1290 CE2 TYR A 80 3.488 -9.711 -4.812 1.00 2.78 C ATOM 1291 CZ TYR A 80 4.412 -8.693 -4.586 1.00 3.08 C ATOM 1292 OH TYR A 80 5.752 -8.913 -4.821 1.00 4.16 O ATOM 0 H TYR A 80 -2.206 -7.257 -2.550 1.00 0.19 H new ATOM 0 HA TYR A 80 0.681 -7.652 -1.772 1.00 0.25 H new ATOM 0 HB2 TYR A 80 -0.317 -8.944 -3.910 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -0.185 -7.360 -4.648 1.00 0.40 H new ATOM 0 HD1 TYR A 80 2.298 -6.255 -3.535 1.00 1.68 H new ATOM 0 HD2 TYR A 80 1.413 -10.270 -4.749 1.00 1.82 H new ATOM 0 HE1 TYR A 80 4.688 -6.659 -3.954 1.00 2.66 H new ATOM 0 HE2 TYR A 80 3.820 -10.674 -5.171 1.00 2.78 H new ATOM 0 HH TYR A 80 5.882 -9.832 -5.136 1.00 4.16 H new ATOM 1302 N ILE A 81 1.014 -5.196 -2.116 1.00 0.25 N ATOM 1303 CA ILE A 81 1.167 -3.717 -2.210 1.00 0.27 C ATOM 1304 C ILE A 81 2.382 -3.410 -3.074 1.00 0.25 C ATOM 1305 O ILE A 81 3.459 -3.939 -2.868 1.00 0.26 O ATOM 1306 CB ILE A 81 1.406 -3.112 -0.829 1.00 0.34 C ATOM 1307 CG1 ILE A 81 1.328 -1.587 -0.916 1.00 0.76 C ATOM 1308 CG2 ILE A 81 2.805 -3.508 -0.344 1.00 0.92 C ATOM 1309 CD1 ILE A 81 1.766 -0.981 0.416 1.00 0.69 C ATOM 0 H ILE A 81 1.788 -5.674 -1.655 1.00 0.25 H new ATOM 0 HA ILE A 81 0.257 -3.296 -2.637 1.00 0.27 H new ATOM 0 HB ILE A 81 0.649 -3.480 -0.136 1.00 0.34 H new ATOM 0 HG12 ILE A 81 1.967 -1.224 -1.721 1.00 0.76 H new ATOM 0 HG13 ILE A 81 0.310 -1.277 -1.152 1.00 0.76 H new ATOM 0 HG21 ILE A 81 2.983 -3.079 0.642 1.00 0.92 H new ATOM 0 HG22 ILE A 81 2.876 -4.594 -0.286 1.00 0.92 H new ATOM 0 HG23 ILE A 81 3.552 -3.133 -1.043 1.00 0.92 H new ATOM 0 HD11 ILE A 81 1.711 0.106 0.357 1.00 0.69 H new ATOM 0 HD12 ILE A 81 1.109 -1.335 1.210 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.791 -1.281 0.633 1.00 0.69 H new ATOM 1321 N LEU A 82 2.213 -2.552 -4.027 1.00 0.25 N ATOM 1322 CA LEU A 82 3.335 -2.169 -4.914 1.00 0.25 C ATOM 1323 C LEU A 82 3.701 -0.722 -4.579 1.00 0.25 C ATOM 1324 O LEU A 82 2.862 0.154 -4.658 1.00 0.29 O ATOM 1325 CB LEU A 82 2.850 -2.289 -6.356 1.00 0.29 C ATOM 1326 CG LEU A 82 2.250 -3.680 -6.572 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.790 -3.818 -8.026 1.00 0.36 C ATOM 1328 CD2 LEU A 82 3.306 -4.750 -6.265 1.00 0.32 C ATOM 0 H LEU A 82 1.328 -2.090 -4.234 1.00 0.25 H new ATOM 0 HA LEU A 82 4.210 -2.806 -4.781 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.105 -1.522 -6.566 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.678 -2.126 -7.045 1.00 0.29 H new ATOM 0 HG LEU A 82 1.397 -3.813 -5.907 1.00 0.32 H new ATOM 0 HD11 LEU A 82 1.363 -4.809 -8.180 1.00 0.36 H new ATOM 0 HD12 LEU A 82 1.037 -3.060 -8.243 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.643 -3.683 -8.692 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.877 -5.740 -6.419 1.00 0.32 H new ATOM 0 HD22 LEU A 82 4.161 -4.618 -6.928 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.632 -4.653 -5.229 1.00 0.32 H new ATOM 1340 N LEU A 83 4.925 -0.459 -4.166 1.00 0.22 N ATOM 1341 CA LEU A 83 5.296 0.936 -3.786 1.00 0.23 C ATOM 1342 C LEU A 83 6.553 1.391 -4.527 1.00 0.21 C ATOM 1343 O LEU A 83 7.571 0.728 -4.529 1.00 0.20 O ATOM 1344 CB LEU A 83 5.544 0.989 -2.274 1.00 0.23 C ATOM 1345 CG LEU A 83 6.130 2.347 -1.879 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.470 2.833 -0.585 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.634 2.203 -1.654 1.00 0.98 C ATOM 0 H LEU A 83 5.672 -1.148 -4.078 1.00 0.22 H new ATOM 0 HA LEU A 83 4.480 1.604 -4.060 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.610 0.819 -1.739 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.228 0.192 -1.983 1.00 0.23 H new ATOM 0 HG LEU A 83 5.945 3.068 -2.676 1.00 0.52 H new ATOM 0 HD11 LEU A 83 5.888 3.800 -0.304 1.00 0.52 H new ATOM 0 HD12 LEU A 83 4.396 2.933 -0.740 1.00 0.52 H new ATOM 0 HD13 LEU A 83 5.656 2.112 0.211 1.00 0.52 H new ATOM 0 HD21 LEU A 83 8.054 3.169 -1.373 1.00 0.98 H new ATOM 0 HD22 LEU A 83 7.815 1.482 -0.857 1.00 0.98 H new ATOM 0 HD23 LEU A 83 8.108 1.855 -2.572 1.00 0.98 H new ATOM 1359 N ARG A 84 6.464 2.532 -5.156 1.00 0.22 N ATOM 1360 CA ARG A 84 7.621 3.075 -5.904 1.00 0.21 C ATOM 1361 C ARG A 84 8.303 4.161 -5.073 1.00 0.21 C ATOM 1362 O ARG A 84 7.799 4.578 -4.051 1.00 0.23 O ATOM 1363 CB ARG A 84 7.152 3.617 -7.252 1.00 0.23 C ATOM 1364 CG ARG A 84 8.179 3.225 -8.315 1.00 0.25 C ATOM 1365 CD ARG A 84 7.809 3.827 -9.670 1.00 0.31 C ATOM 1366 NE ARG A 84 8.812 3.407 -10.689 1.00 0.40 N ATOM 1367 CZ ARG A 84 8.605 3.664 -11.952 1.00 0.48 C ATOM 1368 NH1 ARG A 84 7.518 4.283 -12.323 1.00 0.49 N ATOM 1369 NH2 ARG A 84 9.487 3.302 -12.844 1.00 0.58 N ATOM 0 H ARG A 84 5.626 3.114 -5.180 1.00 0.22 H new ATOM 0 HA ARG A 84 8.347 2.284 -6.092 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.172 3.211 -7.504 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.046 4.701 -7.209 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.169 3.570 -8.016 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.230 2.139 -8.395 1.00 0.25 H new ATOM 0 HD2 ARG A 84 6.813 3.498 -9.967 1.00 0.31 H new ATOM 0 HD3 ARG A 84 7.778 4.914 -9.601 1.00 0.31 H new ATOM 0 HE ARG A 84 9.660 2.919 -10.400 1.00 0.40 H new ATOM 0 HH11 ARG A 84 6.829 4.566 -11.626 1.00 0.49 H new ATOM 0 HH12 ARG A 84 7.357 4.484 -13.310 1.00 0.49 H new ATOM 0 HH21 ARG A 84 10.337 2.819 -12.554 1.00 0.58 H new ATOM 0 HH22 ARG A 84 9.326 3.502 -13.831 1.00 0.58 H new ATOM 1383 N LEU A 85 9.442 4.627 -5.507 1.00 0.20 N ATOM 1384 CA LEU A 85 10.147 5.692 -4.730 1.00 0.21 C ATOM 1385 C LEU A 85 11.189 6.372 -5.611 1.00 0.21 C ATOM 1386 O LEU A 85 11.837 5.736 -6.409 1.00 0.22 O ATOM 1387 CB LEU A 85 10.837 5.065 -3.519 1.00 0.23 C ATOM 1388 CG LEU A 85 10.161 5.501 -2.216 1.00 0.53 C ATOM 1389 CD1 LEU A 85 10.830 4.777 -1.048 1.00 1.39 C ATOM 1390 CD2 LEU A 85 10.309 7.011 -2.019 1.00 0.94 C ATOM 0 H LEU A 85 9.914 4.321 -6.358 1.00 0.20 H new ATOM 0 HA LEU A 85 9.421 6.433 -4.396 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.809 3.979 -3.602 1.00 0.23 H new ATOM 0 HB3 LEU A 85 11.887 5.356 -3.503 1.00 0.23 H new ATOM 0 HG LEU A 85 9.101 5.253 -2.262 1.00 0.53 H new ATOM 0 HD11 LEU A 85 10.357 5.079 -0.114 1.00 1.39 H new ATOM 0 HD12 LEU A 85 10.722 3.700 -1.178 1.00 1.39 H new ATOM 0 HD13 LEU A 85 11.889 5.035 -1.019 1.00 1.39 H new ATOM 0 HD21 LEU A 85 9.823 7.306 -1.089 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.367 7.270 -1.974 1.00 0.94 H new ATOM 0 HD23 LEU A 85 9.842 7.534 -2.854 1.00 0.94 H new ATOM 1402 N LYS A 86 11.339 7.661 -5.469 1.00 0.22 N ATOM 1403 CA LYS A 86 12.334 8.412 -6.302 1.00 0.24 C ATOM 1404 C LYS A 86 13.275 9.227 -5.412 1.00 0.23 C ATOM 1405 O LYS A 86 12.899 9.681 -4.356 1.00 0.28 O ATOM 1406 CB LYS A 86 11.583 9.346 -7.242 1.00 0.27 C ATOM 1407 CG LYS A 86 12.561 10.205 -8.050 1.00 0.38 C ATOM 1408 CD LYS A 86 12.627 11.622 -7.473 1.00 0.72 C ATOM 1409 CE LYS A 86 13.424 12.517 -8.425 1.00 0.72 C ATOM 1410 NZ LYS A 86 12.515 13.531 -9.031 1.00 1.42 N ATOM 0 H LYS A 86 10.813 8.234 -4.808 1.00 0.22 H new ATOM 0 HA LYS A 86 12.931 7.702 -6.875 1.00 0.24 H new ATOM 0 HB2 LYS A 86 10.959 8.763 -7.919 1.00 0.27 H new ATOM 0 HB3 LYS A 86 10.916 9.989 -6.667 1.00 0.27 H new ATOM 0 HG2 LYS A 86 13.552 9.752 -8.034 1.00 0.38 H new ATOM 0 HG3 LYS A 86 12.245 10.244 -9.093 1.00 0.38 H new ATOM 0 HD2 LYS A 86 11.621 12.020 -7.338 1.00 0.72 H new ATOM 0 HD3 LYS A 86 13.098 11.606 -6.490 1.00 0.72 H new ATOM 0 HE2 LYS A 86 14.231 13.013 -7.885 1.00 0.72 H new ATOM 0 HE3 LYS A 86 13.886 11.914 -9.207 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 13.056 14.140 -9.678 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 11.760 13.049 -9.559 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 12.094 14.113 -8.279 1.00 1.42 H new ATOM 1424 N ARG A 87 14.496 9.418 -5.846 1.00 0.24 N ATOM 1425 CA ARG A 87 15.473 10.216 -5.034 1.00 0.24 C ATOM 1426 C ARG A 87 15.724 11.572 -5.694 1.00 0.26 C ATOM 1427 O ARG A 87 15.851 11.676 -6.898 1.00 0.28 O ATOM 1428 CB ARG A 87 16.802 9.468 -4.925 1.00 0.27 C ATOM 1429 CG ARG A 87 16.576 8.097 -4.281 1.00 0.62 C ATOM 1430 CD ARG A 87 16.131 8.270 -2.824 1.00 0.43 C ATOM 1431 NE ARG A 87 16.422 7.022 -2.064 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.613 6.820 -1.569 1.00 0.80 C ATOM 1433 NH1 ARG A 87 18.557 7.703 -1.753 1.00 1.64 N ATOM 1434 NH2 ARG A 87 17.861 5.732 -0.893 1.00 0.86 N ATOM 0 H ARG A 87 14.861 9.057 -6.727 1.00 0.24 H new ATOM 0 HA ARG A 87 15.052 10.364 -4.040 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.243 9.347 -5.914 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.508 10.047 -4.330 1.00 0.27 H new ATOM 0 HG2 ARG A 87 15.819 7.545 -4.838 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.494 7.511 -4.323 1.00 0.62 H new ATOM 0 HD2 ARG A 87 16.652 9.114 -2.371 1.00 0.43 H new ATOM 0 HD3 ARG A 87 15.065 8.494 -2.782 1.00 0.43 H new ATOM 0 HE ARG A 87 15.690 6.325 -1.930 1.00 0.48 H new ATOM 0 HH11 ARG A 87 18.364 8.552 -2.284 1.00 1.64 H new ATOM 0 HH12 ARG A 87 19.487 7.544 -1.366 1.00 1.64 H new ATOM 0 HH21 ARG A 87 17.125 5.040 -0.752 1.00 0.86 H new ATOM 0 HH22 ARG A 87 18.791 5.573 -0.506 1.00 0.86 H new ATOM 1448 N VAL A 88 15.819 12.603 -4.895 1.00 0.27 N ATOM 1449 CA VAL A 88 16.086 13.973 -5.435 1.00 0.30 C ATOM 1450 C VAL A 88 17.451 14.434 -4.926 1.00 0.31 C ATOM 1451 O VAL A 88 17.959 15.467 -5.314 1.00 0.35 O ATOM 1452 CB VAL A 88 14.996 14.940 -4.947 1.00 0.31 C ATOM 1453 CG1 VAL A 88 15.502 16.386 -4.994 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.764 14.821 -5.842 1.00 0.63 C ATOM 0 H VAL A 88 15.722 12.555 -3.881 1.00 0.27 H new ATOM 0 HA VAL A 88 16.080 13.956 -6.525 1.00 0.30 H new ATOM 0 HB VAL A 88 14.740 14.680 -3.920 1.00 0.31 H new ATOM 0 HG11 VAL A 88 14.717 17.058 -4.645 1.00 0.49 H new ATOM 0 HG12 VAL A 88 16.377 16.486 -4.352 1.00 0.49 H new ATOM 0 HG13 VAL A 88 15.772 16.644 -6.018 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.993 15.508 -5.493 1.00 0.63 H new ATOM 0 HG22 VAL A 88 14.034 15.070 -6.868 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.384 13.800 -5.804 1.00 0.63 H new ATOM 1464 N TYR A 89 18.053 13.665 -4.065 1.00 0.31 N ATOM 1465 CA TYR A 89 19.388 14.049 -3.536 1.00 0.37 C ATOM 1466 C TYR A 89 20.043 12.835 -2.872 1.00 0.49 C ATOM 1467 O TYR A 89 21.188 12.952 -2.469 1.00 1.12 O ATOM 1468 CB TYR A 89 19.229 15.171 -2.508 1.00 0.35 C ATOM 1469 CG TYR A 89 20.209 16.278 -2.816 1.00 0.51 C ATOM 1470 CD1 TYR A 89 21.573 16.097 -2.555 1.00 1.46 C ATOM 1471 CD2 TYR A 89 19.755 17.484 -3.363 1.00 1.13 C ATOM 1472 CE1 TYR A 89 22.482 17.123 -2.840 1.00 1.76 C ATOM 1473 CE2 TYR A 89 20.664 18.509 -3.648 1.00 1.28 C ATOM 1474 CZ TYR A 89 22.028 18.329 -3.387 1.00 1.27 C ATOM 1475 OH TYR A 89 22.924 19.340 -3.670 1.00 1.67 O ATOM 1476 OXT TYR A 89 19.388 11.811 -2.779 1.00 1.00 O ATOM 0 H TYR A 89 17.678 12.787 -3.705 1.00 0.31 H new ATOM 0 HA TYR A 89 20.016 14.397 -4.356 1.00 0.37 H new ATOM 0 HB2 TYR A 89 18.210 15.557 -2.529 1.00 0.35 H new ATOM 0 HB3 TYR A 89 19.403 14.786 -1.503 1.00 0.35 H new ATOM 0 HD1 TYR A 89 21.924 15.166 -2.134 1.00 1.46 H new ATOM 0 HD2 TYR A 89 18.703 17.623 -3.565 1.00 1.13 H new ATOM 0 HE1 TYR A 89 23.534 16.984 -2.638 1.00 1.76 H new ATOM 0 HE2 TYR A 89 20.313 19.439 -4.070 1.00 1.28 H new ATOM 0 HH TYR A 89 22.444 20.107 -4.046 1.00 1.67 H new TER 1486 TYR A 89 ATOM 1487 N MET B 1 -20.334 15.707 3.850 1.00 3.96 N ATOM 1488 CA MET B 1 -21.446 15.375 2.914 1.00 3.21 C ATOM 1489 C MET B 1 -21.143 14.049 2.212 1.00 2.20 C ATOM 1490 O MET B 1 -20.026 13.790 1.810 1.00 2.41 O ATOM 1491 CB MET B 1 -21.584 16.487 1.872 1.00 3.93 C ATOM 1492 CG MET B 1 -21.539 17.849 2.567 1.00 4.72 C ATOM 1493 SD MET B 1 -22.880 18.891 1.942 1.00 5.70 S ATOM 1494 CE MET B 1 -22.716 20.226 3.153 1.00 6.35 C ATOM 0 H1 MET B 1 -20.715 16.211 4.676 1.00 3.96 H new ATOM 0 H2 MET B 1 -19.870 14.830 4.163 1.00 3.96 H new ATOM 0 H3 MET B 1 -19.641 16.312 3.365 1.00 3.96 H new ATOM 0 HA MET B 1 -22.378 15.284 3.473 1.00 3.21 H new ATOM 0 HB2 MET B 1 -20.780 16.414 1.139 1.00 3.93 H new ATOM 0 HB3 MET B 1 -22.522 16.376 1.328 1.00 3.93 H new ATOM 0 HG2 MET B 1 -21.635 17.722 3.645 1.00 4.72 H new ATOM 0 HG3 MET B 1 -20.577 18.329 2.387 1.00 4.72 H new ATOM 0 HE1 MET B 1 -23.462 20.994 2.951 1.00 6.35 H new ATOM 0 HE2 MET B 1 -22.867 19.828 4.156 1.00 6.35 H new ATOM 0 HE3 MET B 1 -21.719 20.661 3.082 1.00 6.35 H new ATOM 1506 N THR B 2 -22.130 13.206 2.062 1.00 1.60 N ATOM 1507 CA THR B 2 -21.897 11.897 1.389 1.00 1.14 C ATOM 1508 C THR B 2 -22.178 12.033 -0.108 1.00 0.94 C ATOM 1509 O THR B 2 -23.306 12.207 -0.523 1.00 1.61 O ATOM 1510 CB THR B 2 -22.829 10.844 1.991 1.00 1.83 C ATOM 1511 OG1 THR B 2 -24.031 11.468 2.420 1.00 2.42 O ATOM 1512 CG2 THR B 2 -22.144 10.176 3.185 1.00 2.32 C ATOM 0 H THR B 2 -23.087 13.368 2.377 1.00 1.60 H new ATOM 0 HA THR B 2 -20.861 11.592 1.535 1.00 1.14 H new ATOM 0 HB THR B 2 -23.059 10.089 1.239 1.00 1.83 H new ATOM 0 HG1 THR B 2 -24.394 12.015 1.692 1.00 2.42 H new ATOM 0 HG21 THR B 2 -22.809 9.426 3.613 1.00 2.32 H new ATOM 0 HG22 THR B 2 -21.222 9.697 2.855 1.00 2.32 H new ATOM 0 HG23 THR B 2 -21.912 10.928 3.939 1.00 2.32 H new ATOM 1520 N GLU B 3 -21.161 11.943 -0.922 1.00 0.88 N ATOM 1521 CA GLU B 3 -21.363 12.057 -2.393 1.00 0.65 C ATOM 1522 C GLU B 3 -20.101 11.579 -3.105 1.00 0.59 C ATOM 1523 O GLU B 3 -20.147 10.757 -3.997 1.00 0.81 O ATOM 1524 CB GLU B 3 -21.617 13.518 -2.756 1.00 0.93 C ATOM 1525 CG GLU B 3 -23.042 13.672 -3.275 1.00 0.89 C ATOM 1526 CD GLU B 3 -23.273 15.119 -3.713 1.00 1.04 C ATOM 1527 OE1 GLU B 3 -22.827 16.010 -3.008 1.00 1.68 O ATOM 1528 OE2 GLU B 3 -23.892 15.313 -4.746 1.00 1.56 O ATOM 0 H GLU B 3 -20.195 11.795 -0.629 1.00 0.88 H new ATOM 0 HA GLU B 3 -22.216 11.450 -2.696 1.00 0.65 H new ATOM 0 HB2 GLU B 3 -21.466 14.152 -1.883 1.00 0.93 H new ATOM 0 HB3 GLU B 3 -20.905 13.845 -3.514 1.00 0.93 H new ATOM 0 HG2 GLU B 3 -23.210 12.996 -4.114 1.00 0.89 H new ATOM 0 HG3 GLU B 3 -23.755 13.398 -2.497 1.00 0.89 H new ATOM 1535 N LYS B 4 -18.971 12.098 -2.716 1.00 0.65 N ATOM 1536 CA LYS B 4 -17.695 11.671 -3.355 1.00 0.57 C ATOM 1537 C LYS B 4 -16.513 12.053 -2.450 1.00 0.51 C ATOM 1538 O LYS B 4 -15.611 12.768 -2.841 1.00 0.47 O ATOM 1539 CB LYS B 4 -17.540 12.302 -4.753 1.00 0.60 C ATOM 1540 CG LYS B 4 -18.546 13.436 -4.948 1.00 1.06 C ATOM 1541 CD LYS B 4 -18.092 14.329 -6.104 1.00 1.25 C ATOM 1542 CE LYS B 4 -17.203 15.451 -5.567 1.00 1.83 C ATOM 1543 NZ LYS B 4 -16.408 16.033 -6.685 1.00 2.31 N ATOM 0 H LYS B 4 -18.875 12.800 -1.982 1.00 0.65 H new ATOM 0 HA LYS B 4 -17.710 10.589 -3.482 1.00 0.57 H new ATOM 0 HB2 LYS B 4 -16.526 12.683 -4.875 1.00 0.60 H new ATOM 0 HB3 LYS B 4 -17.689 11.541 -5.519 1.00 0.60 H new ATOM 0 HG2 LYS B 4 -19.535 13.027 -5.157 1.00 1.06 H new ATOM 0 HG3 LYS B 4 -18.631 14.022 -4.033 1.00 1.06 H new ATOM 0 HD2 LYS B 4 -17.546 13.739 -6.840 1.00 1.25 H new ATOM 0 HD3 LYS B 4 -18.959 14.750 -6.613 1.00 1.25 H new ATOM 0 HE2 LYS B 4 -17.815 16.223 -5.101 1.00 1.83 H new ATOM 0 HE3 LYS B 4 -16.537 15.064 -4.796 1.00 1.83 H new ATOM 0 HZ1 LYS B 4 -15.803 16.796 -6.320 1.00 2.31 H new ATOM 0 HZ2 LYS B 4 -15.813 15.293 -7.110 1.00 2.31 H new ATOM 0 HZ3 LYS B 4 -17.052 16.416 -7.406 1.00 2.31 H new ATOM 1557 N LEU B 5 -16.499 11.568 -1.240 1.00 0.55 N ATOM 1558 CA LEU B 5 -15.362 11.896 -0.330 1.00 0.57 C ATOM 1559 C LEU B 5 -15.498 11.094 0.966 1.00 0.76 C ATOM 1560 O LEU B 5 -15.423 11.634 2.053 1.00 1.59 O ATOM 1561 CB LEU B 5 -15.365 13.395 -0.009 1.00 0.62 C ATOM 1562 CG LEU B 5 -16.770 13.831 0.426 1.00 0.90 C ATOM 1563 CD1 LEU B 5 -16.698 14.518 1.792 1.00 1.35 C ATOM 1564 CD2 LEU B 5 -17.340 14.813 -0.601 1.00 1.62 C ATOM 0 H LEU B 5 -17.218 10.964 -0.843 1.00 0.55 H new ATOM 0 HA LEU B 5 -14.424 11.639 -0.822 1.00 0.57 H new ATOM 0 HB2 LEU B 5 -14.647 13.608 0.783 1.00 0.62 H new ATOM 0 HB3 LEU B 5 -15.052 13.964 -0.884 1.00 0.62 H new ATOM 0 HG LEU B 5 -17.413 12.953 0.493 1.00 0.90 H new ATOM 0 HD11 LEU B 5 -17.698 14.826 2.097 1.00 1.35 H new ATOM 0 HD12 LEU B 5 -16.292 13.824 2.528 1.00 1.35 H new ATOM 0 HD13 LEU B 5 -16.053 15.394 1.725 1.00 1.35 H new ATOM 0 HD21 LEU B 5 -18.338 15.123 -0.293 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -16.692 15.687 -0.667 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -17.396 14.329 -1.576 1.00 1.62 H new ATOM 1576 N ASN B 6 -15.743 9.821 0.861 1.00 0.33 N ATOM 1577 CA ASN B 6 -15.938 8.986 2.078 1.00 0.35 C ATOM 1578 C ASN B 6 -14.641 8.369 2.565 1.00 0.29 C ATOM 1579 O ASN B 6 -14.083 7.496 1.933 1.00 0.32 O ATOM 1580 CB ASN B 6 -16.877 7.850 1.737 1.00 0.52 C ATOM 1581 CG ASN B 6 -18.074 7.863 2.691 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -18.713 8.880 2.871 1.00 1.46 O ATOM 1583 ND2 ASN B 6 -18.402 6.765 3.314 1.00 0.99 N ATOM 0 H ASN B 6 -15.817 9.317 -0.023 1.00 0.33 H new ATOM 0 HA ASN B 6 -16.334 9.633 2.861 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -17.220 7.946 0.707 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -16.352 6.898 1.810 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -19.196 6.759 3.954 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -17.864 5.912 3.161 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.184 8.769 3.710 1.00 0.28 N ATOM 1591 CA GLU B 7 -12.959 8.153 4.260 1.00 0.30 C ATOM 1592 C GLU B 7 -13.399 7.002 5.166 1.00 0.32 C ATOM 1593 O GLU B 7 -14.005 7.211 6.199 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.166 9.194 5.041 1.00 0.36 C ATOM 1595 CG GLU B 7 -12.937 9.603 6.298 1.00 0.53 C ATOM 1596 CD GLU B 7 -12.552 11.030 6.692 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -13.165 11.950 6.179 1.00 1.49 O ATOM 1598 OE2 GLU B 7 -11.650 11.177 7.501 1.00 1.08 O ATOM 0 H GLU B 7 -14.606 9.496 4.288 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.313 7.777 3.467 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.192 8.790 5.317 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -11.983 10.068 4.416 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -14.010 9.542 6.115 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -12.713 8.916 7.114 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.118 5.788 4.770 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.533 4.608 5.585 1.00 0.38 C ATOM 1607 C ILE B 8 -12.300 3.891 6.123 1.00 0.34 C ATOM 1608 O ILE B 8 -11.318 3.732 5.442 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.331 3.640 4.713 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.385 4.416 3.916 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -15.025 2.607 5.601 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.183 3.447 3.042 1.00 1.17 C ATOM 0 H ILE B 8 -12.616 5.562 3.912 1.00 0.33 H new ATOM 0 HA ILE B 8 -14.148 4.950 6.417 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.655 3.133 4.024 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -16.054 4.944 4.596 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -14.903 5.170 3.294 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.594 1.916 4.979 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -14.277 2.053 6.167 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.699 3.115 6.291 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -16.932 4.000 2.476 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -15.509 2.939 2.352 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.678 2.710 3.674 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.359 3.461 7.343 1.00 0.32 N ATOM 1625 CA VAL B 9 -11.205 2.743 7.952 1.00 0.30 C ATOM 1626 C VAL B 9 -11.490 1.243 7.975 1.00 0.27 C ATOM 1627 O VAL B 9 -12.507 0.800 8.473 1.00 0.28 O ATOM 1628 CB VAL B 9 -10.989 3.245 9.377 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -9.890 2.418 10.048 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -10.571 4.716 9.339 1.00 1.27 C ATOM 0 H VAL B 9 -13.166 3.575 7.957 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.308 2.930 7.362 1.00 0.30 H new ATOM 0 HB VAL B 9 -11.915 3.144 9.944 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -9.735 2.776 11.066 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -10.188 1.370 10.073 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -8.963 2.518 9.483 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -10.416 5.077 10.356 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -9.645 4.817 8.773 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -11.354 5.304 8.861 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.608 0.459 7.432 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.847 -1.009 7.420 1.00 0.22 C ATOM 1642 C VAL B 10 -10.280 -1.588 8.715 1.00 0.20 C ATOM 1643 O VAL B 10 -9.526 -0.937 9.411 1.00 0.21 O ATOM 1644 CB VAL B 10 -10.151 -1.644 6.210 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.677 -1.869 6.537 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.805 -2.990 5.892 1.00 0.37 C ATOM 0 H VAL B 10 -9.737 0.766 6.998 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.914 -1.219 7.348 1.00 0.22 H new ATOM 0 HB VAL B 10 -10.242 -0.981 5.350 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -8.179 -2.320 5.679 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -8.206 -0.914 6.769 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.592 -2.534 7.397 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.310 -3.441 5.032 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.712 -3.652 6.753 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.860 -2.837 5.664 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.657 -2.790 9.062 1.00 0.19 N ATOM 1657 CA ARG B 11 -10.160 -3.392 10.335 1.00 0.20 C ATOM 1658 C ARG B 11 -9.825 -4.865 10.117 1.00 0.21 C ATOM 1659 O ARG B 11 -10.079 -5.426 9.071 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.244 -3.290 11.411 1.00 0.22 C ATOM 1661 CG ARG B 11 -12.321 -2.297 10.975 1.00 0.51 C ATOM 1662 CD ARG B 11 -13.346 -2.137 12.098 1.00 0.49 C ATOM 1663 NE ARG B 11 -14.686 -1.851 11.511 1.00 1.28 N ATOM 1664 CZ ARG B 11 -14.945 -0.669 11.023 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -14.031 0.262 11.048 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -16.119 -0.418 10.510 1.00 2.37 N ATOM 0 H ARG B 11 -11.287 -3.381 8.520 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.267 -2.854 10.653 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -11.689 -4.270 11.584 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -10.802 -2.969 12.355 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.869 -1.333 10.739 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.811 -2.650 10.067 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -13.387 -3.045 12.699 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -13.048 -1.327 12.764 1.00 0.49 H new ATOM 0 HE ARG B 11 -15.400 -2.579 11.491 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -13.114 0.066 11.449 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -14.234 1.186 10.666 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -16.833 -1.146 10.491 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -16.322 0.506 10.128 1.00 2.37 H new ATOM 1680 N LYS B 12 -9.265 -5.493 11.110 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.914 -6.933 10.988 1.00 0.25 C ATOM 1682 C LYS B 12 -10.026 -7.766 11.604 1.00 0.25 C ATOM 1683 O LYS B 12 -10.053 -8.974 11.483 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.623 -7.199 11.747 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.876 -7.067 13.250 1.00 0.43 C ATOM 1686 CD LYS B 12 -6.640 -6.471 13.927 1.00 1.00 C ATOM 1687 CE LYS B 12 -6.659 -6.814 15.418 1.00 0.99 C ATOM 1688 NZ LYS B 12 -5.908 -5.774 16.177 1.00 1.75 N ATOM 0 H LYS B 12 -9.034 -5.067 12.008 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.787 -7.194 9.937 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -7.253 -8.198 11.516 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.853 -6.494 11.434 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -8.743 -6.431 13.429 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -8.103 -8.043 13.678 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -5.734 -6.863 13.464 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -6.624 -5.390 13.792 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -7.687 -6.869 15.776 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -6.211 -7.794 15.582 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -5.921 -6.007 17.191 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -4.924 -5.742 15.841 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -6.354 -4.846 16.029 1.00 1.75 H new ATOM 1702 N THR B 13 -10.947 -7.129 12.267 1.00 0.25 N ATOM 1703 CA THR B 13 -12.055 -7.885 12.891 1.00 0.36 C ATOM 1704 C THR B 13 -13.193 -8.002 11.884 1.00 0.49 C ATOM 1705 O THR B 13 -14.173 -8.685 12.106 1.00 0.91 O ATOM 1706 CB THR B 13 -12.546 -7.150 14.141 1.00 0.45 C ATOM 1707 OG1 THR B 13 -12.999 -5.853 13.776 1.00 1.19 O ATOM 1708 CG2 THR B 13 -11.401 -7.026 15.149 1.00 1.07 C ATOM 0 H THR B 13 -10.977 -6.118 12.402 1.00 0.25 H new ATOM 0 HA THR B 13 -11.709 -8.878 13.180 1.00 0.36 H new ATOM 0 HB THR B 13 -13.364 -7.710 14.593 1.00 0.45 H new ATOM 0 HG1 THR B 13 -13.316 -5.380 14.574 1.00 1.19 H new ATOM 0 HG21 THR B 13 -11.754 -6.502 16.038 1.00 1.07 H new ATOM 0 HG22 THR B 13 -11.053 -8.020 15.428 1.00 1.07 H new ATOM 0 HG23 THR B 13 -10.580 -6.467 14.700 1.00 1.07 H new ATOM 1716 N LYS B 14 -13.043 -7.368 10.755 1.00 0.31 N ATOM 1717 CA LYS B 14 -14.073 -7.458 9.690 1.00 0.38 C ATOM 1718 C LYS B 14 -13.595 -8.486 8.668 1.00 0.44 C ATOM 1719 O LYS B 14 -13.174 -9.572 9.012 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.227 -6.091 9.014 1.00 0.41 C ATOM 1721 CG LYS B 14 -14.734 -5.061 10.032 1.00 0.68 C ATOM 1722 CD LYS B 14 -16.210 -5.315 10.370 1.00 0.90 C ATOM 1723 CE LYS B 14 -16.336 -5.729 11.837 1.00 1.34 C ATOM 1724 NZ LYS B 14 -17.770 -5.984 12.155 1.00 1.47 N ATOM 0 H LYS B 14 -12.239 -6.784 10.525 1.00 0.31 H new ATOM 0 HA LYS B 14 -15.035 -7.754 10.107 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.270 -5.769 8.603 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -14.924 -6.164 8.179 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -14.133 -5.113 10.940 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -14.616 -4.055 9.629 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -16.796 -4.415 10.184 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -16.612 -6.096 9.725 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.745 -6.625 12.026 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -15.942 -4.945 12.483 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -17.860 -6.266 13.152 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -18.322 -5.118 11.989 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -18.130 -6.746 11.546 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.632 -8.140 7.417 1.00 0.41 N ATOM 1739 CA ASN B 15 -13.157 -9.079 6.372 1.00 0.31 C ATOM 1740 C ASN B 15 -13.004 -8.311 5.063 1.00 0.26 C ATOM 1741 O ASN B 15 -13.523 -7.224 4.905 1.00 0.30 O ATOM 1742 CB ASN B 15 -14.167 -10.217 6.189 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.706 -11.444 6.978 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -12.698 -12.042 6.661 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -14.410 -11.849 8.000 1.00 1.21 N ATOM 0 H ASN B 15 -13.973 -7.243 7.072 1.00 0.41 H new ATOM 0 HA ASN B 15 -12.200 -9.508 6.669 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -15.152 -9.901 6.532 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -14.262 -10.466 5.132 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -14.113 -12.667 8.532 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -15.257 -11.347 8.267 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.304 -8.868 4.125 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.133 -8.165 2.828 1.00 0.25 C ATOM 1754 C VAL B 16 -13.505 -8.024 2.179 1.00 0.24 C ATOM 1755 O VAL B 16 -13.835 -7.014 1.580 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.215 -8.982 1.918 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -9.993 -9.444 2.713 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -11.970 -10.205 1.393 1.00 0.45 C ATOM 0 H VAL B 16 -11.844 -9.775 4.197 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.688 -7.183 2.986 1.00 0.25 H new ATOM 0 HB VAL B 16 -10.894 -8.365 1.078 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.337 -10.027 2.066 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.453 -8.575 3.089 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.316 -10.060 3.552 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -11.315 -10.786 0.745 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -12.291 -10.822 2.232 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.843 -9.879 0.828 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.322 -9.023 2.327 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.677 -8.956 1.739 1.00 0.27 C ATOM 1770 C GLU B 17 -16.545 -8.053 2.597 1.00 0.28 C ATOM 1771 O GLU B 17 -17.366 -7.318 2.096 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.292 -10.358 1.676 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.872 -10.741 3.041 1.00 0.79 C ATOM 1774 CD GLU B 17 -17.129 -12.249 3.078 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -16.164 -12.995 3.077 1.00 1.70 O ATOM 1776 OE2 GLU B 17 -18.287 -12.632 3.105 1.00 1.53 O ATOM 0 H GLU B 17 -14.107 -9.883 2.831 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.615 -8.555 0.727 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -17.075 -10.386 0.919 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -15.534 -11.083 1.378 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -16.180 -10.459 3.835 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.800 -10.198 3.220 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.396 -8.101 3.890 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.242 -7.259 4.761 1.00 0.35 C ATOM 1785 C ASP B 18 -17.069 -5.776 4.448 1.00 0.32 C ATOM 1786 O ASP B 18 -18.013 -5.017 4.571 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.855 -7.521 6.215 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.693 -6.643 7.143 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -17.330 -5.493 7.327 1.00 1.19 O ATOM 1790 OD2 ASP B 18 -18.685 -7.136 7.653 1.00 1.46 O ATOM 0 H ASP B 18 -15.721 -8.691 4.377 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.287 -7.516 4.586 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -17.009 -8.572 6.458 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -15.795 -7.312 6.362 1.00 0.43 H new ATOM 1795 N HIS B 19 -15.911 -5.326 4.018 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.775 -3.881 3.694 1.00 0.31 C ATOM 1797 C HIS B 19 -16.051 -3.698 2.205 1.00 0.27 C ATOM 1798 O HIS B 19 -16.364 -2.615 1.753 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.357 -3.408 4.019 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.396 -2.512 5.228 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -14.535 -3.012 6.515 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -14.316 -1.147 5.362 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -14.533 -1.963 7.360 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -14.404 -0.808 6.707 1.00 1.39 N ATOM 0 H HIS B 19 -15.073 -5.891 3.882 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.481 -3.296 4.283 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.710 -4.265 4.208 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -13.936 -2.872 3.168 1.00 0.35 H new ATOM 0 HD1 HIS B 19 -14.623 -3.995 6.774 1.00 1.21 H new ATOM 0 HD2 HIS B 19 -14.202 -0.446 4.548 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -14.625 -2.047 8.433 1.00 1.22 H new ATOM 1813 N VAL B 20 -16.016 -4.764 1.442 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.364 -4.627 0.005 1.00 0.22 C ATOM 1815 C VAL B 20 -17.883 -4.457 -0.014 1.00 0.22 C ATOM 1816 O VAL B 20 -18.450 -3.736 -0.810 1.00 0.23 O ATOM 1817 CB VAL B 20 -15.916 -5.881 -0.775 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -17.106 -6.785 -1.118 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -15.228 -5.452 -2.070 1.00 0.34 C ATOM 0 H VAL B 20 -15.766 -5.704 1.750 1.00 0.23 H new ATOM 0 HA VAL B 20 -15.866 -3.784 -0.473 1.00 0.22 H new ATOM 0 HB VAL B 20 -15.228 -6.443 -0.143 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -16.753 -7.658 -1.667 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.595 -7.108 -0.199 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.817 -6.233 -1.733 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.910 -6.336 -2.623 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -15.924 -4.874 -2.678 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.358 -4.839 -1.834 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.525 -5.130 0.904 1.00 0.23 N ATOM 1830 CA LEU B 21 -20.005 -5.052 1.032 1.00 0.26 C ATOM 1831 C LEU B 21 -20.394 -3.658 1.522 1.00 0.26 C ATOM 1832 O LEU B 21 -21.220 -2.985 0.935 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.481 -6.074 2.069 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.423 -7.496 1.493 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.795 -8.499 2.585 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.405 -7.635 0.324 1.00 0.38 C ATOM 0 H LEU B 21 -18.074 -5.743 1.583 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.461 -5.257 0.064 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.858 -6.012 2.961 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.501 -5.841 2.375 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.413 -7.693 1.135 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.755 -9.510 2.179 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -20.092 -8.412 3.414 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.804 -8.291 2.942 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -21.354 -8.648 -0.075 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.418 -7.433 0.673 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -21.143 -6.923 -0.458 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.802 -3.215 2.598 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.143 -1.864 3.123 1.00 0.30 C ATOM 1850 C ASP B 22 -19.679 -0.797 2.128 1.00 0.28 C ATOM 1851 O ASP B 22 -20.259 0.265 2.021 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.441 -1.647 4.465 1.00 0.33 C ATOM 1853 CG ASP B 22 -20.180 -0.566 5.257 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -20.985 0.130 4.662 1.00 1.00 O ATOM 1855 OD2 ASP B 22 -19.926 -0.453 6.445 1.00 1.21 O ATOM 0 H ASP B 22 -19.101 -3.728 3.133 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.222 -1.789 3.260 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.420 -2.578 5.032 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.405 -1.350 4.302 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.635 -1.076 1.399 1.00 0.26 N ATOM 1861 CA VAL B 23 -18.130 -0.081 0.411 1.00 0.27 C ATOM 1862 C VAL B 23 -19.126 0.031 -0.744 1.00 0.26 C ATOM 1863 O VAL B 23 -19.582 1.107 -1.084 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.767 -0.522 -0.126 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.447 0.256 -1.404 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.689 -0.230 0.922 1.00 0.30 C ATOM 0 H VAL B 23 -18.110 -1.949 1.444 1.00 0.26 H new ATOM 0 HA VAL B 23 -18.021 0.888 0.898 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.791 -1.590 -0.342 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.476 -0.058 -1.787 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.214 0.057 -2.153 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.423 1.323 -1.184 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.717 -0.544 0.541 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.668 0.839 1.134 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -15.914 -0.777 1.837 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.476 -1.071 -1.350 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.447 -1.016 -2.475 1.00 0.25 C ATOM 1878 C ILE B 24 -21.780 -0.481 -1.954 1.00 0.26 C ATOM 1879 O ILE B 24 -22.596 0.013 -2.706 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.629 -2.416 -3.077 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -20.900 -2.290 -4.578 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.807 -3.137 -2.412 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -21.235 -3.667 -5.154 1.00 0.69 C ATOM 0 H ILE B 24 -19.132 -2.002 -1.115 1.00 0.23 H new ATOM 0 HA ILE B 24 -20.073 -0.353 -3.255 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.720 -2.992 -2.907 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -21.726 -1.600 -4.752 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -20.027 -1.876 -5.082 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -21.922 -4.128 -2.851 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -21.618 -3.233 -1.343 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.720 -2.563 -2.569 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -21.428 -3.577 -6.223 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -20.395 -4.343 -4.992 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -22.121 -4.063 -4.658 1.00 0.69 H new ATOM 1895 N VAL B 25 -22.003 -0.559 -0.669 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.278 -0.033 -0.112 1.00 0.30 C ATOM 1897 C VAL B 25 -23.249 1.496 -0.157 1.00 0.30 C ATOM 1898 O VAL B 25 -24.222 2.134 -0.503 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.444 -0.498 1.335 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.427 0.425 2.059 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.982 -1.930 1.354 1.00 0.37 C ATOM 0 H VAL B 25 -21.361 -0.962 0.013 1.00 0.27 H new ATOM 0 HA VAL B 25 -24.115 -0.405 -0.703 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.478 -0.467 1.838 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.545 0.093 3.091 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.044 1.445 2.048 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.393 0.395 1.555 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -24.100 -2.261 2.386 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.948 -1.963 0.850 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.282 -2.589 0.840 1.00 0.37 H new ATOM 1911 N LEU B 26 -22.142 2.095 0.193 1.00 0.30 N ATOM 1912 CA LEU B 26 -22.053 3.582 0.171 1.00 0.32 C ATOM 1913 C LEU B 26 -22.134 4.080 -1.277 1.00 0.31 C ATOM 1914 O LEU B 26 -22.724 5.107 -1.567 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.713 3.995 0.788 1.00 0.35 C ATOM 1916 CG LEU B 26 -20.888 4.229 2.291 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.557 3.977 3.001 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -21.327 5.673 2.541 1.00 1.15 C ATOM 0 H LEU B 26 -21.293 1.616 0.494 1.00 0.30 H new ATOM 0 HA LEU B 26 -22.875 4.017 0.739 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -19.967 3.219 0.615 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.345 4.903 0.309 1.00 0.35 H new ATOM 0 HG LEU B 26 -21.647 3.548 2.676 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -19.679 4.143 4.071 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -19.241 2.949 2.827 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -18.802 4.660 2.611 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -21.450 5.836 3.612 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -20.570 6.355 2.155 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -22.274 5.858 2.034 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.560 3.352 -2.193 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.628 3.776 -3.621 1.00 0.31 C ATOM 1932 C PHE B 27 -23.098 3.805 -4.019 1.00 0.32 C ATOM 1933 O PHE B 27 -23.523 4.557 -4.874 1.00 0.34 O ATOM 1934 CB PHE B 27 -20.873 2.775 -4.495 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.314 2.933 -5.932 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -20.957 4.080 -6.649 1.00 1.18 C ATOM 1937 CD2 PHE B 27 -22.080 1.933 -6.544 1.00 1.37 C ATOM 1938 CE1 PHE B 27 -21.366 4.230 -7.979 1.00 1.22 C ATOM 1939 CE2 PHE B 27 -22.490 2.083 -7.874 1.00 1.46 C ATOM 1940 CZ PHE B 27 -22.132 3.230 -8.592 1.00 0.70 C ATOM 0 H PHE B 27 -21.049 2.487 -2.018 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.174 4.758 -3.754 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.799 2.940 -4.412 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -21.066 1.758 -4.153 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -20.366 4.850 -6.176 1.00 1.18 H new ATOM 0 HD2 PHE B 27 -22.354 1.047 -5.990 1.00 1.37 H new ATOM 0 HE1 PHE B 27 -21.091 5.116 -8.532 1.00 1.22 H new ATOM 0 HE2 PHE B 27 -23.083 1.314 -8.346 1.00 1.46 H new ATOM 0 HZ PHE B 27 -22.446 3.344 -9.619 1.00 0.70 H new ATOM 1950 N ASN B 28 -23.871 2.985 -3.374 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.329 2.936 -3.663 1.00 0.34 C ATOM 1952 C ASN B 28 -25.949 4.302 -3.357 1.00 0.35 C ATOM 1953 O ASN B 28 -26.959 4.672 -3.920 1.00 0.36 O ATOM 1954 CB ASN B 28 -25.991 1.868 -2.797 1.00 0.36 C ATOM 1955 CG ASN B 28 -26.962 1.048 -3.649 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -26.899 -0.166 -3.664 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -27.863 1.664 -4.364 1.00 0.97 N ATOM 0 H ASN B 28 -23.554 2.339 -2.651 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.484 2.690 -4.714 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -25.233 1.216 -2.362 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.523 2.335 -1.968 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -28.515 1.127 -4.936 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -27.915 2.683 -4.351 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.353 5.057 -2.468 1.00 0.35 N ATOM 1965 CA GLN B 29 -25.917 6.394 -2.134 1.00 0.38 C ATOM 1966 C GLN B 29 -25.304 7.450 -3.055 1.00 0.39 C ATOM 1967 O GLN B 29 -25.647 8.615 -2.989 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.590 6.735 -0.678 1.00 0.39 C ATOM 1969 CG GLN B 29 -26.014 5.577 0.226 1.00 0.39 C ATOM 1970 CD GLN B 29 -25.644 5.899 1.675 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -24.642 5.432 2.177 1.00 1.12 O ATOM 1972 NE2 GLN B 29 -26.420 6.683 2.373 1.00 1.17 N ATOM 0 H GLN B 29 -24.504 4.804 -1.963 1.00 0.35 H new ATOM 0 HA GLN B 29 -26.998 6.377 -2.270 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.522 6.923 -0.569 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -26.106 7.648 -0.383 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -27.088 5.411 0.142 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.523 4.656 -0.090 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -27.262 7.075 1.951 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -26.185 6.904 3.341 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.404 7.047 -3.912 1.00 0.35 N ATOM 1982 CA GLY B 30 -23.762 8.015 -4.849 1.00 0.38 C ATOM 1983 C GLY B 30 -22.319 8.284 -4.413 1.00 0.34 C ATOM 1984 O GLY B 30 -21.678 9.194 -4.899 1.00 0.36 O ATOM 0 H GLY B 30 -24.084 6.083 -4.004 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -23.776 7.616 -5.863 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.326 8.948 -4.865 1.00 0.38 H new ATOM 1988 N ILE B 31 -21.796 7.500 -3.510 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.394 7.719 -3.062 1.00 0.29 C ATOM 1990 C ILE B 31 -19.452 7.185 -4.137 1.00 0.26 C ATOM 1991 O ILE B 31 -19.294 5.993 -4.303 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.188 6.985 -1.742 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.023 7.689 -0.654 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -18.705 6.959 -1.368 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -20.246 8.852 -0.027 1.00 0.59 C ATOM 0 H ILE B 31 -22.279 6.719 -3.065 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.189 8.779 -2.911 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.517 5.950 -1.837 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -21.952 8.060 -1.087 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -21.297 6.972 0.120 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.577 6.431 -0.423 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -18.142 6.447 -2.149 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.338 7.980 -1.266 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -20.860 9.330 0.737 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -19.330 8.475 0.427 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -19.995 9.580 -0.799 1.00 0.59 H new ATOM 2007 N ASP B 32 -18.825 8.061 -4.877 1.00 0.27 N ATOM 2008 CA ASP B 32 -17.903 7.603 -5.949 1.00 0.27 C ATOM 2009 C ASP B 32 -16.473 7.488 -5.423 1.00 0.27 C ATOM 2010 O ASP B 32 -15.749 6.590 -5.791 1.00 0.29 O ATOM 2011 CB ASP B 32 -17.937 8.597 -7.110 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.352 8.665 -7.685 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -20.247 9.069 -6.960 1.00 1.46 O ATOM 2014 OD2 ASP B 32 -19.519 8.312 -8.842 1.00 1.25 O ATOM 0 H ASP B 32 -18.914 9.073 -4.783 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.229 6.620 -6.290 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.625 9.583 -6.767 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.233 8.292 -7.884 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.059 8.404 -4.582 1.00 0.27 N ATOM 2020 CA GLU B 33 -14.672 8.362 -4.052 1.00 0.28 C ATOM 2021 C GLU B 33 -14.656 7.729 -2.671 1.00 0.26 C ATOM 2022 O GLU B 33 -15.556 7.914 -1.876 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.095 9.772 -3.971 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.579 10.179 -5.351 1.00 0.60 C ATOM 2025 CD GLU B 33 -13.139 11.643 -5.327 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -12.728 12.100 -4.273 1.00 1.20 O ATOM 2027 OE2 GLU B 33 -13.215 12.280 -6.365 1.00 1.08 O ATOM 0 H GLU B 33 -16.628 9.179 -4.242 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.063 7.763 -4.729 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -14.859 10.472 -3.633 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.286 9.806 -3.241 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.742 9.543 -5.639 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -14.360 10.036 -6.098 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.646 6.966 -2.391 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.585 6.303 -1.066 1.00 0.24 C ATOM 2036 C VAL B 34 -12.133 6.066 -0.643 1.00 0.24 C ATOM 2037 O VAL B 34 -11.297 5.659 -1.434 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.330 4.973 -1.152 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.599 4.048 -2.118 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.391 4.324 0.232 1.00 0.35 C ATOM 0 H VAL B 34 -12.864 6.772 -3.017 1.00 0.25 H new ATOM 0 HA VAL B 34 -14.051 6.945 -0.318 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.345 5.148 -1.510 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -14.128 3.097 -2.182 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.561 4.509 -3.105 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.584 3.875 -1.759 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -14.924 3.375 0.166 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.379 4.147 0.596 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -14.914 4.986 0.922 1.00 0.35 H new ATOM 2050 N ILE B 35 -11.846 6.332 0.610 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.454 6.136 1.137 1.00 0.21 C ATOM 2052 C ILE B 35 -10.431 5.009 2.174 1.00 0.21 C ATOM 2053 O ILE B 35 -11.166 5.033 3.142 1.00 0.23 O ATOM 2054 CB ILE B 35 -9.943 7.431 1.768 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.611 8.628 1.084 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.427 7.520 1.580 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -9.746 9.874 1.275 1.00 0.31 C ATOM 0 H ILE B 35 -12.518 6.678 1.294 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.804 5.864 0.306 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.182 7.439 2.832 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -10.745 8.425 0.021 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.603 8.793 1.504 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.058 8.442 2.029 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -7.950 6.666 2.061 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.191 7.515 0.516 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.222 10.725 0.788 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.635 10.080 2.340 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -8.764 9.706 0.834 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.580 4.025 1.977 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.494 2.894 2.951 1.00 0.26 C ATOM 2071 C LEU B 36 -8.232 3.012 3.806 1.00 0.24 C ATOM 2072 O LEU B 36 -7.127 2.998 3.299 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.470 1.557 2.213 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.843 0.884 2.345 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.891 1.708 1.594 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.784 -0.516 1.743 1.00 0.48 C ATOM 0 H LEU B 36 -8.943 3.960 1.183 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.372 2.941 3.596 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.227 1.712 1.162 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.694 0.913 2.627 1.00 0.30 H new ATOM 0 HG LEU B 36 -11.113 0.820 3.399 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.866 1.230 1.688 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -11.937 2.711 2.017 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.618 1.771 0.541 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.759 -0.994 1.837 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.513 -0.448 0.689 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -10.037 -1.108 2.272 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.391 3.111 5.099 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.208 3.211 6.000 1.00 0.23 C ATOM 2090 C LYS B 37 -6.947 1.834 6.649 1.00 0.21 C ATOM 2091 O LYS B 37 -7.823 1.264 7.269 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.492 4.258 7.090 1.00 0.29 C ATOM 2093 CG LYS B 37 -8.528 5.287 6.606 1.00 1.26 C ATOM 2094 CD LYS B 37 -7.998 6.023 5.370 1.00 1.50 C ATOM 2095 CE LYS B 37 -7.992 7.527 5.637 1.00 2.39 C ATOM 2096 NZ LYS B 37 -7.053 7.828 6.755 1.00 2.74 N ATOM 0 H LYS B 37 -9.295 3.127 5.571 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.329 3.513 5.430 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -7.858 3.763 7.989 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -6.567 4.767 7.361 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -9.466 4.786 6.367 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -8.742 6.001 7.401 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -6.990 5.681 5.134 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -8.622 5.799 4.505 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -7.690 8.066 4.739 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -8.996 7.867 5.890 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -6.641 8.773 6.617 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -7.569 7.803 7.658 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -6.293 7.118 6.771 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.752 1.292 6.505 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.454 -0.058 7.112 1.00 0.22 C ATOM 2112 C GLY B 38 -4.049 -0.095 7.752 1.00 0.22 C ATOM 2113 O GLY B 38 -3.170 0.661 7.384 1.00 0.24 O ATOM 0 H GLY B 38 -4.977 1.720 5.999 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.205 -0.292 7.867 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.525 -0.827 6.343 1.00 0.22 H new ATOM 2117 N THR B 39 -3.854 -0.956 8.738 1.00 0.22 N ATOM 2118 CA THR B 39 -2.522 -1.020 9.437 1.00 0.25 C ATOM 2119 C THR B 39 -2.068 -2.456 9.719 1.00 0.23 C ATOM 2120 O THR B 39 -2.847 -3.317 10.038 1.00 0.20 O ATOM 2121 CB THR B 39 -2.630 -0.297 10.776 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.874 -0.610 11.385 1.00 0.29 O ATOM 2123 CG2 THR B 39 -2.535 1.200 10.546 1.00 0.49 C ATOM 0 H THR B 39 -4.556 -1.611 9.084 1.00 0.22 H new ATOM 0 HA THR B 39 -1.792 -0.554 8.775 1.00 0.25 H new ATOM 0 HB THR B 39 -1.819 -0.616 11.431 1.00 0.28 H new ATOM 0 HG1 THR B 39 -3.942 -0.147 12.246 1.00 0.29 H new ATOM 0 HG21 THR B 39 -2.612 1.720 11.501 1.00 0.49 H new ATOM 0 HG22 THR B 39 -1.579 1.436 10.080 1.00 0.49 H new ATOM 0 HG23 THR B 39 -3.346 1.520 9.892 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.779 -2.685 9.616 1.00 0.25 N ATOM 2132 CA GLY B 40 -0.194 -4.037 9.893 1.00 0.26 C ATOM 2133 C GLY B 40 -1.130 -5.150 9.422 1.00 0.25 C ATOM 2134 O GLY B 40 -0.969 -5.697 8.354 1.00 0.28 O ATOM 0 H GLY B 40 -0.095 -1.978 9.346 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.768 -4.130 9.390 1.00 0.26 H new ATOM 0 HA3 GLY B 40 -0.007 -4.143 10.961 1.00 0.26 H new ATOM 2138 N ARG B 41 -2.097 -5.503 10.223 1.00 0.23 N ATOM 2139 CA ARG B 41 -3.032 -6.590 9.826 1.00 0.24 C ATOM 2140 C ARG B 41 -4.120 -6.036 8.903 1.00 0.22 C ATOM 2141 O ARG B 41 -4.345 -6.557 7.829 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.669 -7.208 11.071 1.00 0.24 C ATOM 2143 CG ARG B 41 -2.739 -7.027 12.274 1.00 0.61 C ATOM 2144 CD ARG B 41 -3.012 -8.124 13.307 1.00 0.94 C ATOM 2145 NE ARG B 41 -2.094 -9.273 13.064 1.00 1.74 N ATOM 2146 CZ ARG B 41 -2.188 -10.349 13.797 1.00 2.19 C ATOM 2147 NH1 ARG B 41 -3.089 -10.423 14.738 1.00 2.10 N ATOM 2148 NH2 ARG B 41 -1.380 -11.353 13.588 1.00 3.16 N ATOM 0 H ARG B 41 -2.279 -5.085 11.135 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.474 -7.359 9.292 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.632 -6.737 11.270 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -3.861 -8.268 10.904 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -1.699 -7.069 11.951 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -2.895 -6.045 12.722 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -2.866 -7.734 14.314 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -4.049 -8.452 13.239 1.00 0.94 H new ATOM 0 HE ARG B 41 -1.393 -9.218 12.325 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -3.721 -9.639 14.902 1.00 2.10 H new ATOM 0 HH12 ARG B 41 -3.161 -11.264 15.310 1.00 2.10 H new ATOM 0 HH21 ARG B 41 -0.676 -11.296 12.852 1.00 3.16 H new ATOM 0 HH22 ARG B 41 -1.453 -12.194 14.160 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.813 -4.996 9.297 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.880 -4.468 8.406 1.00 0.17 C ATOM 2164 C GLU B 42 -5.248 -3.946 7.121 1.00 0.18 C ATOM 2165 O GLU B 42 -5.910 -3.788 6.114 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.669 -3.328 9.071 1.00 0.16 C ATOM 2167 CG GLU B 42 -6.048 -2.901 10.405 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.380 -3.926 11.487 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -7.533 -3.989 11.880 1.00 1.29 O ATOM 2170 OE2 GLU B 42 -5.477 -4.626 11.910 1.00 1.38 O ATOM 0 H GLU B 42 -4.687 -4.501 10.180 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.572 -5.283 8.195 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.705 -2.472 8.398 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.698 -3.648 9.236 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -4.967 -2.809 10.299 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -6.425 -1.920 10.694 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.970 -3.690 7.133 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.298 -3.195 5.907 1.00 0.23 C ATOM 2179 C ILE B 43 -3.570 -4.158 4.737 1.00 0.26 C ATOM 2180 O ILE B 43 -3.609 -3.757 3.591 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.788 -3.131 6.182 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -1.148 -2.045 5.328 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -1.147 -4.469 5.837 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.357 -1.994 5.602 1.00 0.85 C ATOM 0 H ILE B 43 -3.362 -3.804 7.944 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.678 -2.208 5.643 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.633 -2.905 7.237 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.329 -2.246 4.272 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.601 -1.079 5.551 1.00 0.34 H new ATOM 0 HG21 ILE B 43 -0.076 -4.421 6.033 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.593 -5.254 6.448 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.313 -4.691 4.783 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.812 -1.216 4.989 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.528 -1.773 6.656 1.00 0.85 H new ATOM 0 HD13 ILE B 43 0.804 -2.957 5.357 1.00 0.85 H new ATOM 2196 N SER B 44 -3.733 -5.426 5.018 1.00 0.27 N ATOM 2197 CA SER B 44 -3.973 -6.414 3.925 1.00 0.31 C ATOM 2198 C SER B 44 -5.451 -6.409 3.571 1.00 0.30 C ATOM 2199 O SER B 44 -5.839 -6.700 2.457 1.00 0.32 O ATOM 2200 CB SER B 44 -3.562 -7.810 4.393 1.00 0.36 C ATOM 2201 OG SER B 44 -4.625 -8.720 4.147 1.00 1.12 O ATOM 0 H SER B 44 -3.710 -5.819 5.959 1.00 0.27 H new ATOM 0 HA SER B 44 -3.383 -6.144 3.049 1.00 0.31 H new ATOM 0 HB2 SER B 44 -2.663 -8.132 3.867 1.00 0.36 H new ATOM 0 HB3 SER B 44 -3.321 -7.793 5.456 1.00 0.36 H new ATOM 0 HG SER B 44 -4.364 -9.616 4.445 1.00 1.12 H new ATOM 2207 N LYS B 45 -6.273 -6.019 4.496 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.711 -5.936 4.169 1.00 0.26 C ATOM 2209 C LYS B 45 -7.832 -4.829 3.128 1.00 0.25 C ATOM 2210 O LYS B 45 -8.144 -5.072 1.979 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.532 -5.598 5.416 1.00 0.26 C ATOM 2212 CG LYS B 45 -8.249 -6.625 6.521 1.00 0.40 C ATOM 2213 CD LYS B 45 -9.021 -7.921 6.253 1.00 0.91 C ATOM 2214 CE LYS B 45 -8.871 -8.854 7.456 1.00 0.81 C ATOM 2215 NZ LYS B 45 -10.022 -8.661 8.382 1.00 1.87 N ATOM 0 H LYS B 45 -6.016 -5.759 5.448 1.00 0.26 H new ATOM 0 HA LYS B 45 -8.092 -6.885 3.793 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -8.283 -4.596 5.766 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.595 -5.596 5.173 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -7.180 -6.834 6.568 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -8.537 -6.216 7.489 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -10.074 -7.701 6.077 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -8.642 -8.405 5.353 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -8.829 -9.891 7.122 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -7.935 -8.648 7.975 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -9.765 -9.001 9.331 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -10.263 -7.651 8.430 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -10.842 -9.197 8.033 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.593 -3.614 3.548 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.684 -2.438 2.629 1.00 0.21 C ATOM 2231 C ALA B 46 -7.262 -2.813 1.200 1.00 0.19 C ATOM 2232 O ALA B 46 -7.965 -2.537 0.248 1.00 0.22 O ATOM 2233 CB ALA B 46 -6.775 -1.322 3.144 1.00 0.26 C ATOM 0 H ALA B 46 -7.334 -3.382 4.507 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.721 -2.103 2.605 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -6.839 -0.463 2.476 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.091 -1.028 4.145 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.745 -1.678 3.179 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.123 -3.435 1.033 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.680 -3.810 -0.346 1.00 0.18 C ATOM 2241 C VAL B 47 -6.644 -4.841 -0.934 1.00 0.18 C ATOM 2242 O VAL B 47 -7.256 -4.613 -1.959 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.260 -4.397 -0.310 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -3.880 -4.905 -1.707 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.273 -3.309 0.117 1.00 0.27 C ATOM 0 H VAL B 47 -5.485 -3.698 1.784 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.677 -2.915 -0.969 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.226 -5.223 0.400 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -2.873 -5.321 -1.681 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.584 -5.677 -2.017 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -3.913 -4.078 -2.416 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.265 -3.722 0.143 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.309 -2.485 -0.596 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.541 -2.943 1.108 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.786 -5.969 -0.301 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.713 -7.006 -0.833 1.00 0.23 C ATOM 2257 C ASP B 48 -9.048 -6.345 -1.162 1.00 0.26 C ATOM 2258 O ASP B 48 -9.607 -6.531 -2.224 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.921 -8.099 0.218 1.00 0.24 C ATOM 2260 CG ASP B 48 -8.443 -9.367 -0.460 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -9.117 -9.242 -1.469 1.00 1.08 O ATOM 2262 OD2 ASP B 48 -8.159 -10.443 0.040 1.00 1.25 O ATOM 0 H ASP B 48 -6.301 -6.219 0.561 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.292 -7.457 -1.732 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.982 -8.308 0.731 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.629 -7.761 0.975 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.553 -5.563 -0.254 1.00 0.26 N ATOM 2268 CA VAL B 49 -10.843 -4.874 -0.509 1.00 0.32 C ATOM 2269 C VAL B 49 -10.790 -4.209 -1.886 1.00 0.31 C ATOM 2270 O VAL B 49 -11.656 -4.406 -2.715 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.082 -3.806 0.559 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -12.399 -3.088 0.265 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -11.157 -4.468 1.936 1.00 0.96 C ATOM 0 H VAL B 49 -9.128 -5.371 0.653 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.655 -5.601 -0.477 1.00 0.32 H new ATOM 0 HB VAL B 49 -10.262 -3.087 0.549 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -12.575 -2.325 1.023 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -12.346 -2.618 -0.717 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -13.217 -3.808 0.279 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -11.327 -3.706 2.697 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -11.977 -5.185 1.951 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -10.220 -4.984 2.143 1.00 0.96 H new ATOM 2283 N TYR B 50 -9.789 -3.403 -2.129 1.00 0.33 N ATOM 2284 CA TYR B 50 -9.683 -2.698 -3.442 1.00 0.36 C ATOM 2285 C TYR B 50 -9.605 -3.688 -4.597 1.00 0.32 C ATOM 2286 O TYR B 50 -10.400 -3.644 -5.511 1.00 0.32 O ATOM 2287 CB TYR B 50 -8.418 -1.847 -3.459 1.00 0.43 C ATOM 2288 CG TYR B 50 -7.885 -1.775 -4.870 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -8.371 -0.803 -5.753 1.00 2.17 C ATOM 2290 CD2 TYR B 50 -6.906 -2.681 -5.297 1.00 1.93 C ATOM 2291 CE1 TYR B 50 -7.882 -0.739 -7.062 1.00 3.03 C ATOM 2292 CE2 TYR B 50 -6.416 -2.615 -6.607 1.00 2.76 C ATOM 2293 CZ TYR B 50 -6.903 -1.645 -7.489 1.00 3.13 C ATOM 2294 OH TYR B 50 -6.419 -1.582 -8.780 1.00 4.11 O ATOM 0 H TYR B 50 -9.036 -3.202 -1.471 1.00 0.33 H new ATOM 0 HA TYR B 50 -10.572 -2.079 -3.562 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -8.635 -0.845 -3.088 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -7.667 -2.277 -2.796 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -9.124 -0.102 -5.423 1.00 2.17 H new ATOM 0 HD2 TYR B 50 -6.529 -3.430 -4.616 1.00 1.93 H new ATOM 0 HE1 TYR B 50 -8.259 0.009 -7.743 1.00 3.03 H new ATOM 0 HE2 TYR B 50 -5.661 -3.314 -6.937 1.00 2.76 H new ATOM 0 HH TYR B 50 -5.745 -2.281 -8.911 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.653 -4.575 -4.578 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.548 -5.542 -5.693 1.00 0.30 C ATOM 2306 C ASN B 51 -9.888 -6.244 -5.825 1.00 0.29 C ATOM 2307 O ASN B 51 -10.446 -6.359 -6.899 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.448 -6.552 -5.392 1.00 0.31 C ATOM 2309 CG ASN B 51 -7.196 -7.402 -6.640 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -7.888 -8.371 -6.879 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -6.231 -7.073 -7.455 1.00 1.19 N ATOM 0 H ASN B 51 -7.951 -4.670 -3.844 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.299 -5.034 -6.624 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.534 -6.036 -5.097 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.739 -7.188 -4.556 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -6.058 -7.630 -8.292 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -5.650 -6.259 -7.255 1.00 1.19 H new ATOM 2318 N SER B 52 -10.410 -6.712 -4.732 1.00 0.29 N ATOM 2319 CA SER B 52 -11.717 -7.405 -4.786 1.00 0.31 C ATOM 2320 C SER B 52 -12.786 -6.413 -5.252 1.00 0.29 C ATOM 2321 O SER B 52 -13.659 -6.751 -6.025 1.00 0.33 O ATOM 2322 CB SER B 52 -12.089 -7.940 -3.411 1.00 0.34 C ATOM 2323 OG SER B 52 -10.921 -8.422 -2.759 1.00 0.65 O ATOM 0 H SER B 52 -9.988 -6.644 -3.806 1.00 0.29 H new ATOM 0 HA SER B 52 -11.652 -8.242 -5.482 1.00 0.31 H new ATOM 0 HB2 SER B 52 -12.552 -7.153 -2.816 1.00 0.34 H new ATOM 0 HB3 SER B 52 -12.822 -8.741 -3.507 1.00 0.34 H new ATOM 0 HG SER B 52 -10.563 -7.724 -2.171 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.724 -5.186 -4.796 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.730 -4.174 -5.220 1.00 0.27 C ATOM 2331 C LEU B 53 -13.423 -3.735 -6.655 1.00 0.27 C ATOM 2332 O LEU B 53 -14.304 -3.383 -7.406 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.644 -2.953 -4.290 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.756 -1.941 -4.624 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -16.054 -2.318 -3.908 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.323 -0.549 -4.166 1.00 0.38 C ATOM 0 H LEU B 53 -12.016 -4.844 -4.146 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.730 -4.604 -5.170 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.735 -3.272 -3.252 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.669 -2.478 -4.393 1.00 0.27 H new ATOM 0 HG LEU B 53 -14.927 -1.949 -5.700 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -16.829 -1.593 -4.155 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.371 -3.311 -4.228 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -15.888 -2.319 -2.831 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.107 0.171 -4.400 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.148 -0.558 -3.090 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.405 -0.266 -4.681 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.201 -3.822 -7.082 1.00 0.28 N ATOM 2349 CA LYS B 54 -11.909 -3.444 -8.486 1.00 0.32 C ATOM 2350 C LYS B 54 -12.297 -4.620 -9.345 1.00 0.34 C ATOM 2351 O LYS B 54 -12.971 -4.508 -10.351 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.414 -3.182 -8.659 1.00 0.34 C ATOM 2353 CG LYS B 54 -10.158 -2.660 -10.076 1.00 0.96 C ATOM 2354 CD LYS B 54 -9.677 -3.784 -11.003 1.00 0.49 C ATOM 2355 CE LYS B 54 -9.248 -3.175 -12.339 1.00 0.49 C ATOM 2356 NZ LYS B 54 -9.599 -4.107 -13.448 1.00 0.99 N ATOM 0 H LYS B 54 -11.402 -4.133 -6.530 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.456 -2.542 -8.761 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -10.072 -2.455 -7.923 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -9.849 -4.098 -8.488 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -11.073 -2.222 -10.476 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -9.411 -1.866 -10.045 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -8.843 -4.318 -10.547 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -10.474 -4.511 -11.159 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.741 -2.214 -12.488 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -8.175 -2.985 -12.336 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -9.546 -3.602 -14.356 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -8.931 -4.904 -13.456 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -10.565 -4.466 -13.307 1.00 0.99 H new ATOM 2370 N ASP B 55 -11.884 -5.757 -8.906 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.203 -7.019 -9.601 1.00 0.47 C ATOM 2372 C ASP B 55 -13.705 -7.054 -9.864 1.00 0.47 C ATOM 2373 O ASP B 55 -14.202 -7.873 -10.613 1.00 0.52 O ATOM 2374 CB ASP B 55 -11.798 -8.178 -8.687 1.00 0.51 C ATOM 2375 CG ASP B 55 -12.448 -9.472 -9.170 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -12.582 -9.633 -10.371 1.00 1.46 O ATOM 2377 OD2 ASP B 55 -12.795 -10.285 -8.330 1.00 1.23 O ATOM 0 H ASP B 55 -11.318 -5.871 -8.065 1.00 0.41 H new ATOM 0 HA ASP B 55 -11.670 -7.098 -10.548 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -10.713 -8.286 -8.681 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -12.103 -7.968 -7.662 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.431 -6.155 -9.253 1.00 0.42 N ATOM 2383 CA ARG B 56 -15.890 -6.107 -9.457 1.00 0.44 C ATOM 2384 C ARG B 56 -16.211 -6.020 -10.933 1.00 0.43 C ATOM 2385 O ARG B 56 -16.958 -6.811 -11.474 1.00 0.51 O ATOM 2386 CB ARG B 56 -16.378 -4.847 -8.785 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.313 -5.053 -7.276 1.00 0.50 C ATOM 2388 CD ARG B 56 -17.367 -6.056 -6.791 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.559 -6.058 -7.687 1.00 1.01 N ATOM 2390 CZ ARG B 56 -19.320 -7.118 -7.764 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -19.042 -8.180 -7.055 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.365 -7.115 -8.546 1.00 1.71 N ATOM 0 H ARG B 56 -14.062 -5.449 -8.616 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.362 -7.001 -9.050 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -15.762 -3.997 -9.079 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -17.399 -4.623 -9.094 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.320 -5.408 -7.000 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.462 -4.098 -6.772 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.933 -7.055 -6.756 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -17.672 -5.805 -5.775 1.00 0.64 H new ATOM 0 HE ARG B 56 -18.781 -5.231 -8.241 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -18.229 -8.184 -6.439 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -19.638 -9.005 -7.118 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -20.587 -6.286 -9.097 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.959 -7.942 -8.606 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.652 -5.055 -11.586 1.00 0.41 N ATOM 2407 CA LEU B 57 -15.916 -4.893 -13.030 1.00 0.48 C ATOM 2408 C LEU B 57 -14.806 -4.057 -13.634 1.00 0.43 C ATOM 2409 O LEU B 57 -14.746 -3.864 -14.832 1.00 0.44 O ATOM 2410 CB LEU B 57 -17.261 -4.189 -13.232 1.00 0.58 C ATOM 2411 CG LEU B 57 -17.795 -4.492 -14.633 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -18.728 -5.703 -14.574 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -18.570 -3.280 -15.155 1.00 1.77 C ATOM 0 H LEU B 57 -15.019 -4.366 -11.180 1.00 0.41 H new ATOM 0 HA LEU B 57 -15.952 -5.869 -13.514 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.975 -4.524 -12.480 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -17.143 -3.113 -13.102 1.00 0.58 H new ATOM 0 HG LEU B 57 -16.961 -4.708 -15.300 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -19.108 -5.918 -15.573 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -18.179 -6.567 -14.200 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -19.563 -5.487 -13.907 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -18.951 -3.494 -16.153 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -19.404 -3.066 -14.486 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -17.908 -2.415 -15.197 1.00 1.77 H new ATOM 2425 N GLY B 58 -13.903 -3.582 -12.818 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.771 -2.772 -13.351 1.00 0.36 C ATOM 2427 C GLY B 58 -13.285 -1.467 -13.962 1.00 0.35 C ATOM 2428 O GLY B 58 -12.759 -0.402 -13.707 1.00 0.35 O ATOM 0 H GLY B 58 -13.901 -3.720 -11.807 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -12.065 -2.552 -12.550 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -12.230 -3.344 -14.104 1.00 0.36 H new ATOM 2432 N ASP B 59 -14.291 -1.544 -14.782 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.824 -0.318 -15.434 1.00 0.44 C ATOM 2434 C ASP B 59 -15.607 0.519 -14.431 1.00 0.38 C ATOM 2435 O ASP B 59 -15.486 1.725 -14.395 1.00 0.40 O ATOM 2436 CB ASP B 59 -15.740 -0.716 -16.590 1.00 0.53 C ATOM 2437 CG ASP B 59 -15.298 0.005 -17.865 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -14.212 -0.284 -18.339 1.00 1.11 O ATOM 2439 OD2 ASP B 59 -16.053 0.834 -18.345 1.00 1.40 O ATOM 0 H ASP B 59 -14.771 -2.409 -15.031 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.989 0.274 -15.810 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -15.706 -1.795 -16.740 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -16.773 -0.459 -16.354 1.00 0.53 H new ATOM 2444 N GLY B 60 -16.424 -0.097 -13.631 1.00 0.34 N ATOM 2445 CA GLY B 60 -17.224 0.680 -12.655 1.00 0.31 C ATOM 2446 C GLY B 60 -16.403 0.936 -11.402 1.00 0.29 C ATOM 2447 O GLY B 60 -16.944 1.173 -10.345 1.00 0.28 O ATOM 0 H GLY B 60 -16.572 -1.106 -13.611 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.534 1.627 -13.097 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -18.133 0.135 -12.400 1.00 0.31 H new ATOM 2451 N VAL B 61 -15.101 0.895 -11.494 1.00 0.29 N ATOM 2452 CA VAL B 61 -14.267 1.141 -10.291 1.00 0.28 C ATOM 2453 C VAL B 61 -12.902 1.660 -10.746 1.00 0.30 C ATOM 2454 O VAL B 61 -12.334 1.175 -11.705 1.00 0.46 O ATOM 2455 CB VAL B 61 -14.082 -0.162 -9.515 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.961 0.019 -8.490 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -15.383 -0.528 -8.793 1.00 0.39 C ATOM 0 H VAL B 61 -14.583 0.702 -12.351 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.753 1.872 -9.645 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.822 -0.963 -10.208 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.824 -0.908 -7.933 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -12.035 0.273 -9.005 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -13.224 0.821 -7.801 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -15.244 -1.458 -8.242 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -15.650 0.269 -8.099 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -16.181 -0.655 -9.524 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.403 2.679 -10.098 1.00 0.28 N ATOM 2468 CA GLN B 62 -11.104 3.269 -10.532 1.00 0.30 C ATOM 2469 C GLN B 62 -10.223 3.661 -9.344 1.00 0.29 C ATOM 2470 O GLN B 62 -10.685 3.932 -8.254 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.400 4.518 -11.351 1.00 0.31 C ATOM 2472 CG GLN B 62 -10.298 4.725 -12.389 1.00 0.41 C ATOM 2473 CD GLN B 62 -10.515 3.782 -13.574 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -11.075 4.170 -14.579 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -10.089 2.550 -13.502 1.00 1.42 N ATOM 0 H GLN B 62 -12.837 3.126 -9.290 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.566 2.521 -11.114 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.366 4.420 -11.846 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -11.465 5.387 -10.696 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -10.299 5.760 -12.732 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -9.323 4.539 -11.939 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.618 2.222 -12.659 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -10.227 1.916 -14.289 1.00 1.42 H new ATOM 2484 N LEU B 63 -8.940 3.700 -9.588 1.00 0.33 N ATOM 2485 CA LEU B 63 -7.950 4.077 -8.537 1.00 0.33 C ATOM 2486 C LEU B 63 -7.661 5.574 -8.644 1.00 0.34 C ATOM 2487 O LEU B 63 -7.201 6.047 -9.665 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.661 3.285 -8.779 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.661 3.516 -7.642 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -4.990 2.186 -7.291 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.596 4.517 -8.098 1.00 0.52 C ATOM 0 H LEU B 63 -8.527 3.481 -10.495 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.341 3.854 -7.544 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.891 2.222 -8.857 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -6.216 3.586 -9.728 1.00 0.36 H new ATOM 0 HG LEU B 63 -6.180 3.910 -6.768 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -4.276 2.341 -6.482 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -5.747 1.469 -6.974 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -4.468 1.800 -8.166 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.883 4.683 -7.290 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -4.073 4.120 -8.968 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -5.073 5.461 -8.361 1.00 0.52 H new ATOM 2503 N VAL B 64 -7.943 6.324 -7.613 1.00 0.33 N ATOM 2504 CA VAL B 64 -7.703 7.798 -7.673 1.00 0.37 C ATOM 2505 C VAL B 64 -6.426 8.175 -6.924 1.00 0.36 C ATOM 2506 O VAL B 64 -5.780 9.147 -7.263 1.00 0.41 O ATOM 2507 CB VAL B 64 -8.877 8.538 -7.048 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -9.652 9.275 -8.143 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -9.786 7.529 -6.349 1.00 1.43 C ATOM 0 H VAL B 64 -8.328 5.982 -6.733 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.596 8.080 -8.720 1.00 0.37 H new ATOM 0 HB VAL B 64 -8.517 9.264 -6.319 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.494 9.806 -7.698 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -8.993 9.989 -8.638 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -10.022 8.556 -8.874 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -10.630 8.051 -5.898 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -10.153 6.805 -7.077 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -9.224 7.010 -5.573 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.029 7.429 -5.923 1.00 0.32 N ATOM 2520 CA ASN B 65 -4.771 7.787 -5.198 1.00 0.34 C ATOM 2521 C ASN B 65 -4.434 6.687 -4.192 1.00 0.30 C ATOM 2522 O ASN B 65 -5.276 5.902 -3.812 1.00 0.28 O ATOM 2523 CB ASN B 65 -4.961 9.100 -4.435 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.529 10.295 -5.293 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -5.170 11.327 -5.277 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -3.462 10.205 -6.040 1.00 1.09 N ATOM 0 H ASN B 65 -6.513 6.599 -5.580 1.00 0.32 H new ATOM 0 HA ASN B 65 -3.966 7.896 -5.924 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.007 9.211 -4.148 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -4.379 9.078 -3.514 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -3.169 11.000 -6.608 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -2.922 9.340 -6.056 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.204 6.640 -3.749 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.788 5.605 -2.758 1.00 0.26 C ATOM 2535 C VAL B 66 -1.519 6.083 -2.057 1.00 0.27 C ATOM 2536 O VAL B 66 -0.585 6.533 -2.689 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.473 4.283 -3.471 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -1.907 3.285 -2.460 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -3.740 3.694 -4.094 1.00 0.66 C ATOM 0 H VAL B 66 -2.464 7.281 -4.035 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.597 5.450 -2.044 1.00 0.26 H new ATOM 0 HB VAL B 66 -1.745 4.476 -4.259 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.682 2.345 -2.964 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -0.994 3.689 -2.022 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.640 3.109 -1.673 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.497 2.757 -4.595 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.477 3.507 -3.313 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.150 4.397 -4.819 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.483 5.991 -0.756 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.276 6.441 -0.023 1.00 0.28 C ATOM 2551 C GLN B 67 -0.004 5.513 1.147 1.00 0.25 C ATOM 2552 O GLN B 67 -0.847 4.752 1.573 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.473 7.864 0.494 1.00 0.29 C ATOM 2554 CG GLN B 67 0.894 8.538 0.632 1.00 0.37 C ATOM 2555 CD GLN B 67 0.715 9.946 1.203 1.00 0.64 C ATOM 2556 OE1 GLN B 67 -0.245 10.217 1.897 1.00 1.11 O ATOM 2557 NE2 GLN B 67 1.607 10.861 0.939 1.00 1.44 N ATOM 0 H GLN B 67 -2.236 5.624 -0.174 1.00 0.25 H new ATOM 0 HA GLN B 67 0.573 6.422 -0.706 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -1.104 8.430 -0.192 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -0.983 7.847 1.457 1.00 0.29 H new ATOM 0 HG2 GLN B 67 1.537 7.949 1.285 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.386 8.588 -0.339 1.00 0.37 H new ATOM 0 HE21 GLN B 67 2.413 10.634 0.357 1.00 1.44 H new ATOM 0 HE22 GLN B 67 1.498 11.803 1.315 1.00 1.44 H new ATOM 2566 N THR B 68 1.192 5.566 1.635 1.00 0.26 N ATOM 2567 CA THR B 68 1.588 4.684 2.757 1.00 0.26 C ATOM 2568 C THR B 68 2.382 5.494 3.764 1.00 0.25 C ATOM 2569 O THR B 68 2.938 6.526 3.442 1.00 0.33 O ATOM 2570 CB THR B 68 2.460 3.558 2.205 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.299 4.071 1.179 1.00 0.42 O ATOM 2572 CG2 THR B 68 1.573 2.458 1.632 1.00 0.45 C ATOM 0 H THR B 68 1.925 6.192 1.301 1.00 0.26 H new ATOM 0 HA THR B 68 0.706 4.266 3.242 1.00 0.26 H new ATOM 0 HB THR B 68 3.073 3.147 3.007 1.00 0.33 H new ATOM 0 HG1 THR B 68 4.227 4.087 1.493 1.00 0.42 H new ATOM 0 HG21 THR B 68 2.197 1.655 1.239 1.00 0.45 H new ATOM 0 HG22 THR B 68 0.928 2.064 2.418 1.00 0.45 H new ATOM 0 HG23 THR B 68 0.959 2.867 0.830 1.00 0.45 H new ATOM 2580 N GLY B 69 2.463 5.035 4.976 1.00 0.24 N ATOM 2581 CA GLY B 69 3.242 5.770 6.007 1.00 0.28 C ATOM 2582 C GLY B 69 3.244 4.926 7.288 1.00 0.26 C ATOM 2583 O GLY B 69 2.265 4.285 7.617 1.00 0.29 O ATOM 0 H GLY B 69 2.020 4.176 5.301 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.262 5.943 5.663 1.00 0.28 H new ATOM 0 HA3 GLY B 69 2.798 6.748 6.195 1.00 0.28 H new ATOM 2587 N SER B 70 4.322 4.931 8.024 1.00 0.24 N ATOM 2588 CA SER B 70 4.367 4.154 9.291 1.00 0.25 C ATOM 2589 C SER B 70 3.969 5.077 10.435 1.00 0.29 C ATOM 2590 O SER B 70 4.019 6.284 10.309 1.00 0.31 O ATOM 2591 CB SER B 70 5.777 3.617 9.531 1.00 0.27 C ATOM 2592 OG SER B 70 6.718 4.668 9.359 1.00 0.39 O ATOM 0 H SER B 70 5.176 5.442 7.800 1.00 0.24 H new ATOM 0 HA SER B 70 3.681 3.309 9.230 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.855 3.205 10.537 1.00 0.27 H new ATOM 0 HB3 SER B 70 5.992 2.805 8.837 1.00 0.27 H new ATOM 0 HG SER B 70 6.260 5.532 9.426 1.00 0.39 H new ATOM 2598 N GLU B 71 3.562 4.538 11.547 1.00 0.32 N ATOM 2599 CA GLU B 71 3.158 5.426 12.664 1.00 0.39 C ATOM 2600 C GLU B 71 3.170 4.677 13.984 1.00 0.40 C ATOM 2601 O GLU B 71 3.394 3.487 14.035 1.00 0.37 O ATOM 2602 CB GLU B 71 1.749 5.923 12.404 1.00 0.40 C ATOM 2603 CG GLU B 71 0.834 4.735 12.124 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.472 4.907 12.902 1.00 0.68 C ATOM 2605 OE1 GLU B 71 -1.285 5.715 12.485 1.00 1.49 O ATOM 2606 OE2 GLU B 71 -0.637 4.227 13.901 1.00 1.26 O ATOM 0 H GLU B 71 3.492 3.537 11.728 1.00 0.32 H new ATOM 0 HA GLU B 71 3.862 6.256 12.724 1.00 0.39 H new ATOM 0 HB2 GLU B 71 1.384 6.481 13.266 1.00 0.40 H new ATOM 0 HB3 GLU B 71 1.744 6.607 11.556 1.00 0.40 H new ATOM 0 HG2 GLU B 71 0.628 4.664 11.056 1.00 0.49 H new ATOM 0 HG3 GLU B 71 1.325 3.807 12.416 1.00 0.49 H new ATOM 2613 N VAL B 72 2.912 5.375 15.048 1.00 0.45 N ATOM 2614 CA VAL B 72 2.894 4.718 16.373 1.00 0.49 C ATOM 2615 C VAL B 72 1.488 4.204 16.661 1.00 0.52 C ATOM 2616 O VAL B 72 0.509 4.903 16.492 1.00 0.71 O ATOM 2617 CB VAL B 72 3.310 5.716 17.455 1.00 0.59 C ATOM 2618 CG1 VAL B 72 4.373 5.080 18.353 1.00 0.56 C ATOM 2619 CG2 VAL B 72 3.884 6.974 16.799 1.00 0.87 C ATOM 0 H VAL B 72 2.712 6.375 15.055 1.00 0.45 H new ATOM 0 HA VAL B 72 3.595 3.883 16.373 1.00 0.49 H new ATOM 0 HB VAL B 72 2.440 5.985 18.054 1.00 0.59 H new ATOM 0 HG11 VAL B 72 4.670 5.790 19.124 1.00 0.56 H new ATOM 0 HG12 VAL B 72 3.965 4.185 18.822 1.00 0.56 H new ATOM 0 HG13 VAL B 72 5.242 4.811 17.753 1.00 0.56 H new ATOM 0 HG21 VAL B 72 4.180 7.684 17.571 1.00 0.87 H new ATOM 0 HG22 VAL B 72 4.754 6.707 16.199 1.00 0.87 H new ATOM 0 HG23 VAL B 72 3.127 7.428 16.159 1.00 0.87 H new ATOM 2629 N ARG B 73 1.385 2.980 17.093 1.00 0.47 N ATOM 2630 CA ARG B 73 0.053 2.405 17.397 1.00 0.50 C ATOM 2631 C ARG B 73 0.203 1.337 18.481 1.00 0.54 C ATOM 2632 O ARG B 73 0.653 0.241 18.218 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.516 1.777 16.130 1.00 0.49 C ATOM 2634 CG ARG B 73 -2.043 1.890 16.136 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.638 0.753 15.304 1.00 0.72 C ATOM 2636 NE ARG B 73 -3.924 1.187 14.686 1.00 0.90 N ATOM 2637 CZ ARG B 73 -4.959 1.466 15.435 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -4.870 1.391 16.733 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -6.087 1.813 14.881 1.00 1.68 N ATOM 0 H ARG B 73 2.173 2.351 17.249 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.621 3.186 17.751 1.00 0.50 H new ATOM 0 HB2 ARG B 73 -0.109 2.276 15.251 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.220 0.730 16.067 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -2.418 1.843 17.158 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.349 2.853 15.728 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -1.935 0.455 14.527 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -2.805 -0.120 15.935 1.00 0.72 H new ATOM 0 HE ARG B 73 -3.997 1.267 13.672 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -3.990 1.114 17.169 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -5.680 1.610 17.313 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.161 1.866 13.865 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -6.895 2.031 15.463 1.00 1.68 H new ATOM 2653 N ASP B 74 -0.162 1.672 19.694 1.00 0.59 N ATOM 2654 CA ASP B 74 -0.057 0.717 20.840 1.00 0.65 C ATOM 2655 C ASP B 74 1.339 0.802 21.461 1.00 0.65 C ATOM 2656 O ASP B 74 1.895 -0.188 21.893 1.00 0.67 O ATOM 2657 CB ASP B 74 -0.329 -0.716 20.379 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.917 -1.523 21.538 1.00 0.76 C ATOM 2659 OD1 ASP B 74 -0.289 -1.565 22.583 1.00 1.25 O ATOM 2660 OD2 ASP B 74 -1.986 -2.084 21.362 1.00 1.35 O ATOM 0 H ASP B 74 -0.536 2.588 19.943 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.805 0.990 21.585 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -1.021 -0.713 19.537 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.595 -1.179 20.032 1.00 0.66 H new ATOM 2665 N ARG B 75 1.913 1.981 21.492 1.00 0.64 N ATOM 2666 CA ARG B 75 3.282 2.161 22.072 1.00 0.66 C ATOM 2667 C ARG B 75 4.303 1.439 21.198 1.00 0.60 C ATOM 2668 O ARG B 75 5.349 1.012 21.648 1.00 0.65 O ATOM 2669 CB ARG B 75 3.340 1.636 23.515 1.00 0.75 C ATOM 2670 CG ARG B 75 3.435 2.819 24.478 1.00 0.85 C ATOM 2671 CD ARG B 75 2.223 3.729 24.277 1.00 0.86 C ATOM 2672 NE ARG B 75 1.629 4.069 25.600 1.00 1.19 N ATOM 2673 CZ ARG B 75 0.812 5.080 25.707 1.00 1.81 C ATOM 2674 NH1 ARG B 75 0.518 5.796 24.656 1.00 2.57 N ATOM 2675 NH2 ARG B 75 0.288 5.378 26.866 1.00 2.18 N ATOM 0 H ARG B 75 1.486 2.836 21.136 1.00 0.64 H new ATOM 0 HA ARG B 75 3.518 3.225 22.096 1.00 0.66 H new ATOM 0 HB2 ARG B 75 2.452 1.043 23.735 1.00 0.75 H new ATOM 0 HB3 ARG B 75 4.201 0.979 23.641 1.00 0.75 H new ATOM 0 HG2 ARG B 75 3.471 2.463 25.508 1.00 0.85 H new ATOM 0 HG3 ARG B 75 4.356 3.375 24.301 1.00 0.85 H new ATOM 0 HD2 ARG B 75 2.521 4.639 23.756 1.00 0.86 H new ATOM 0 HD3 ARG B 75 1.482 3.232 23.651 1.00 0.86 H new ATOM 0 HE ARG B 75 1.861 3.511 26.422 1.00 1.19 H new ATOM 0 HH11 ARG B 75 0.927 5.565 23.751 1.00 2.57 H new ATOM 0 HH12 ARG B 75 -0.121 6.587 24.740 1.00 2.57 H new ATOM 0 HH21 ARG B 75 0.518 4.820 27.688 1.00 2.18 H new ATOM 0 HH22 ARG B 75 -0.351 6.169 26.949 1.00 2.18 H new ATOM 2689 N ARG B 76 4.017 1.332 19.936 1.00 0.50 N ATOM 2690 CA ARG B 76 4.979 0.673 19.018 1.00 0.44 C ATOM 2691 C ARG B 76 4.738 1.153 17.597 1.00 0.40 C ATOM 2692 O ARG B 76 3.674 1.638 17.266 1.00 0.39 O ATOM 2693 CB ARG B 76 4.809 -0.839 19.039 1.00 0.45 C ATOM 2694 CG ARG B 76 6.067 -1.506 19.609 1.00 0.62 C ATOM 2695 CD ARG B 76 6.039 -2.991 19.273 1.00 1.29 C ATOM 2696 NE ARG B 76 4.868 -3.633 19.933 1.00 1.55 N ATOM 2697 CZ ARG B 76 4.418 -4.776 19.493 1.00 2.38 C ATOM 2698 NH1 ARG B 76 4.992 -5.356 18.474 1.00 3.14 N ATOM 2699 NH2 ARG B 76 3.392 -5.340 20.072 1.00 2.85 N ATOM 0 H ARG B 76 3.160 1.672 19.500 1.00 0.50 H new ATOM 0 HA ARG B 76 5.985 0.929 19.350 1.00 0.44 H new ATOM 0 HB2 ARG B 76 3.942 -1.106 19.643 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.620 -1.205 18.030 1.00 0.45 H new ATOM 0 HG2 ARG B 76 6.961 -1.043 19.191 1.00 0.62 H new ATOM 0 HG3 ARG B 76 6.111 -1.366 20.689 1.00 0.62 H new ATOM 0 HD2 ARG B 76 5.981 -3.128 18.193 1.00 1.29 H new ATOM 0 HD3 ARG B 76 6.962 -3.466 19.605 1.00 1.29 H new ATOM 0 HE ARG B 76 4.418 -3.179 20.728 1.00 1.55 H new ATOM 0 HH11 ARG B 76 5.793 -4.916 18.021 1.00 3.14 H new ATOM 0 HH12 ARG B 76 4.640 -6.250 18.131 1.00 3.14 H new ATOM 0 HH21 ARG B 76 2.943 -4.887 20.868 1.00 2.85 H new ATOM 0 HH22 ARG B 76 3.040 -6.233 19.728 1.00 2.85 H new ATOM 2713 N ARG B 77 5.728 1.046 16.762 1.00 0.38 N ATOM 2714 CA ARG B 77 5.550 1.529 15.369 1.00 0.34 C ATOM 2715 C ARG B 77 4.965 0.443 14.490 1.00 0.30 C ATOM 2716 O ARG B 77 5.297 -0.721 14.592 1.00 0.32 O ATOM 2717 CB ARG B 77 6.868 2.009 14.767 1.00 0.36 C ATOM 2718 CG ARG B 77 6.614 3.307 13.991 1.00 0.47 C ATOM 2719 CD ARG B 77 7.760 3.555 13.012 1.00 0.48 C ATOM 2720 NE ARG B 77 9.052 3.607 13.755 1.00 1.12 N ATOM 2721 CZ ARG B 77 9.461 4.727 14.290 1.00 1.45 C ATOM 2722 NH1 ARG B 77 8.731 5.805 14.196 1.00 1.69 N ATOM 2723 NH2 ARG B 77 10.601 4.767 14.924 1.00 2.39 N ATOM 0 H ARG B 77 6.643 0.650 16.979 1.00 0.38 H new ATOM 0 HA ARG B 77 4.859 2.371 15.411 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.603 2.178 15.554 1.00 0.36 H new ATOM 0 HB3 ARG B 77 7.280 1.248 14.104 1.00 0.36 H new ATOM 0 HG2 ARG B 77 5.670 3.240 13.451 1.00 0.47 H new ATOM 0 HG3 ARG B 77 6.527 4.145 14.683 1.00 0.47 H new ATOM 0 HD2 ARG B 77 7.791 2.762 12.264 1.00 0.48 H new ATOM 0 HD3 ARG B 77 7.599 4.491 12.477 1.00 0.48 H new ATOM 0 HE ARG B 77 9.619 2.764 13.846 1.00 1.12 H new ATOM 0 HH11 ARG B 77 7.838 5.775 13.704 1.00 1.69 H new ATOM 0 HH12 ARG B 77 9.053 6.677 14.615 1.00 1.69 H new ATOM 0 HH21 ARG B 77 11.171 3.925 15.001 1.00 2.39 H new ATOM 0 HH22 ARG B 77 10.922 5.640 15.342 1.00 2.39 H new ATOM 2737 N ILE B 78 4.068 0.836 13.634 1.00 0.26 N ATOM 2738 CA ILE B 78 3.407 -0.132 12.737 1.00 0.23 C ATOM 2739 C ILE B 78 3.205 0.511 11.372 1.00 0.21 C ATOM 2740 O ILE B 78 3.249 1.717 11.222 1.00 0.22 O ATOM 2741 CB ILE B 78 2.041 -0.483 13.322 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.515 -1.788 12.710 1.00 0.26 C ATOM 2743 CG2 ILE B 78 1.060 0.645 13.013 1.00 0.32 C ATOM 2744 CD1 ILE B 78 0.321 -2.283 13.528 1.00 0.58 C ATOM 0 H ILE B 78 3.764 1.803 13.520 1.00 0.26 H new ATOM 0 HA ILE B 78 4.019 -1.028 12.637 1.00 0.23 H new ATOM 0 HB ILE B 78 2.140 -0.613 14.400 1.00 0.24 H new ATOM 0 HG12 ILE B 78 1.218 -1.624 11.674 1.00 0.26 H new ATOM 0 HG13 ILE B 78 2.302 -2.542 12.700 1.00 0.26 H new ATOM 0 HG21 ILE B 78 0.082 0.401 13.428 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.421 1.573 13.457 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.975 0.768 11.933 1.00 0.32 H new ATOM 0 HD11 ILE B 78 -0.056 -3.210 13.097 1.00 0.58 H new ATOM 0 HD12 ILE B 78 0.634 -2.462 14.557 1.00 0.58 H new ATOM 0 HD13 ILE B 78 -0.467 -1.530 13.514 1.00 0.58 H new ATOM 2756 N SER B 79 3.041 -0.291 10.373 1.00 0.20 N ATOM 2757 CA SER B 79 2.898 0.246 9.001 1.00 0.19 C ATOM 2758 C SER B 79 1.437 0.593 8.720 1.00 0.20 C ATOM 2759 O SER B 79 0.520 -0.006 9.246 1.00 0.22 O ATOM 2760 CB SER B 79 3.378 -0.816 8.008 1.00 0.22 C ATOM 2761 OG SER B 79 3.789 -1.966 8.728 1.00 0.61 O ATOM 0 H SER B 79 2.999 -1.308 10.446 1.00 0.20 H new ATOM 0 HA SER B 79 3.495 1.152 8.898 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.578 -1.072 7.314 1.00 0.22 H new ATOM 0 HB3 SER B 79 4.205 -0.429 7.412 1.00 0.22 H new ATOM 0 HG SER B 79 4.594 -2.341 8.314 1.00 0.61 H new ATOM 2767 N TYR B 80 1.239 1.582 7.896 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.139 2.037 7.551 1.00 0.29 C ATOM 2769 C TYR B 80 -0.223 2.222 6.032 1.00 0.29 C ATOM 2770 O TYR B 80 0.662 2.783 5.416 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.399 3.370 8.277 1.00 0.41 C ATOM 2772 CG TYR B 80 -1.866 3.547 8.632 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -2.854 3.337 7.679 1.00 1.63 C ATOM 2774 CD2 TYR B 80 -2.233 3.946 9.926 1.00 1.88 C ATOM 2775 CE1 TYR B 80 -4.191 3.510 8.004 1.00 2.58 C ATOM 2776 CE2 TYR B 80 -3.582 4.123 10.253 1.00 2.80 C ATOM 2777 CZ TYR B 80 -4.563 3.903 9.289 1.00 3.04 C ATOM 2778 OH TYR B 80 -5.895 4.077 9.604 1.00 4.08 O ATOM 0 H TYR B 80 1.986 2.104 7.438 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.888 1.308 7.860 1.00 0.29 H new ATOM 0 HB2 TYR B 80 0.202 3.411 9.186 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.077 4.197 7.644 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -2.579 3.037 6.678 1.00 1.63 H new ATOM 0 HD2 TYR B 80 -1.472 4.117 10.672 1.00 1.88 H new ATOM 0 HE1 TYR B 80 -4.950 3.339 7.255 1.00 2.58 H new ATOM 0 HE2 TYR B 80 -3.862 4.429 11.250 1.00 2.80 H new ATOM 0 HH TYR B 80 -5.976 4.351 10.541 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.303 1.782 5.435 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.499 1.950 3.968 1.00 0.32 C ATOM 2790 C ILE B 81 -2.734 2.814 3.731 1.00 0.31 C ATOM 2791 O ILE B 81 -3.804 2.555 4.257 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.725 0.594 3.303 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -1.695 0.762 1.783 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.096 0.048 3.715 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.098 -0.554 1.118 1.00 0.69 C ATOM 0 H ILE B 81 -2.068 1.306 5.913 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.610 2.418 3.544 1.00 0.32 H new ATOM 0 HB ILE B 81 -0.942 -0.097 3.615 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.375 1.558 1.481 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -0.697 1.055 1.458 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.259 -0.920 3.241 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.131 -0.068 4.798 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -3.874 0.743 3.399 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.077 -0.436 0.035 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.400 -1.338 1.411 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -3.105 -0.828 1.434 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.589 3.822 2.925 1.00 0.30 N ATOM 2808 CA LEU B 82 -3.730 4.714 2.597 1.00 0.29 C ATOM 2809 C LEU B 82 -4.143 4.389 1.165 1.00 0.27 C ATOM 2810 O LEU B 82 -3.337 4.508 0.264 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.268 6.172 2.675 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.282 6.351 3.828 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -1.898 7.827 3.944 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -2.942 5.903 5.131 1.00 0.37 C ATOM 0 H LEU B 82 -1.710 4.071 2.470 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.560 4.570 3.289 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -2.797 6.463 1.736 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.128 6.827 2.817 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.390 5.753 3.640 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.194 7.956 4.766 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.434 8.156 3.014 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -2.792 8.422 4.134 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.241 6.029 5.956 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -3.831 6.506 5.315 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.225 4.853 5.053 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.359 3.949 0.933 1.00 0.23 N ATOM 2827 CA LEU B 83 -5.756 3.589 -0.458 1.00 0.23 C ATOM 2828 C LEU B 83 -7.035 4.316 -0.870 1.00 0.22 C ATOM 2829 O LEU B 83 -8.047 4.259 -0.199 1.00 0.21 O ATOM 2830 CB LEU B 83 -5.984 2.079 -0.532 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.536 1.705 -1.909 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.827 0.451 -2.427 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -8.031 1.422 -1.784 1.00 0.98 C ATOM 0 H LEU B 83 -6.083 3.826 1.641 1.00 0.23 H new ATOM 0 HA LEU B 83 -4.959 3.888 -1.139 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.048 1.551 -0.350 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -6.681 1.769 0.246 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.368 2.527 -2.605 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -6.223 0.188 -3.408 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.757 0.645 -2.508 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -5.995 -0.374 -1.735 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -8.434 1.154 -2.761 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -8.188 0.598 -1.089 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.540 2.312 -1.413 1.00 0.98 H new ATOM 2845 N ARG B 84 -6.979 4.996 -1.987 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.168 5.730 -2.480 1.00 0.24 C ATOM 2847 C ARG B 84 -8.862 4.902 -3.559 1.00 0.30 C ATOM 2848 O ARG B 84 -8.337 3.916 -4.034 1.00 0.71 O ATOM 2849 CB ARG B 84 -7.754 7.106 -3.020 1.00 0.29 C ATOM 2850 CG ARG B 84 -8.908 8.104 -2.827 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.419 9.537 -3.044 1.00 0.34 C ATOM 2852 NE ARG B 84 -9.461 10.488 -2.563 1.00 0.41 N ATOM 2853 CZ ARG B 84 -9.298 11.772 -2.730 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.226 12.222 -3.322 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -10.209 12.605 -2.304 1.00 0.60 N ATOM 0 H ARG B 84 -6.151 5.071 -2.578 1.00 0.23 H new ATOM 0 HA ARG B 84 -8.867 5.890 -1.659 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -6.864 7.459 -2.500 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.497 7.031 -4.077 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -9.713 7.878 -3.527 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.321 8.002 -1.823 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -7.485 9.700 -2.507 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.213 9.708 -4.101 1.00 0.34 H new ATOM 0 HE ARG B 84 -10.301 10.136 -2.104 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -7.515 11.570 -3.654 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -8.099 13.226 -3.453 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -11.047 12.252 -1.841 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -10.083 13.609 -2.434 1.00 0.60 H new ATOM 2869 N LEU B 85 -10.036 5.305 -3.949 1.00 0.31 N ATOM 2870 CA LEU B 85 -10.770 4.543 -5.003 1.00 0.28 C ATOM 2871 C LEU B 85 -11.871 5.418 -5.585 1.00 0.27 C ATOM 2872 O LEU B 85 -12.556 6.101 -4.860 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.389 3.293 -4.377 1.00 0.29 C ATOM 2874 CG LEU B 85 -10.691 2.031 -4.894 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -11.245 0.814 -4.155 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -10.940 1.865 -6.395 1.00 0.93 C ATOM 0 H LEU B 85 -10.521 6.126 -3.587 1.00 0.31 H new ATOM 0 HA LEU B 85 -10.081 4.253 -5.796 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -11.305 3.343 -3.291 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.452 3.250 -4.613 1.00 0.29 H new ATOM 0 HG LEU B 85 -9.619 2.120 -4.720 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -10.752 -0.088 -4.518 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -11.061 0.922 -3.086 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -12.318 0.738 -4.332 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -10.439 0.965 -6.750 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -12.011 1.780 -6.579 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -10.548 2.732 -6.927 1.00 0.93 H new ATOM 2888 N LYS B 86 -12.043 5.402 -6.881 1.00 0.31 N ATOM 2889 CA LYS B 86 -13.106 6.243 -7.515 1.00 0.33 C ATOM 2890 C LYS B 86 -14.021 5.356 -8.363 1.00 0.30 C ATOM 2891 O LYS B 86 -13.609 4.336 -8.873 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.446 7.326 -8.372 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.483 8.072 -9.222 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.529 7.510 -10.652 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.329 8.463 -11.543 1.00 0.51 C ATOM 2896 NZ LYS B 86 -13.410 9.139 -12.501 1.00 1.31 N ATOM 0 H LYS B 86 -11.492 4.841 -7.531 1.00 0.31 H new ATOM 0 HA LYS B 86 -13.711 6.726 -6.747 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -11.923 8.034 -7.729 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -11.698 6.873 -9.022 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.467 7.985 -8.761 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -13.238 9.134 -9.252 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.518 7.392 -11.042 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -13.988 6.521 -10.652 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -15.096 7.911 -12.087 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -14.843 9.204 -10.931 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -13.954 9.786 -13.106 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -12.694 9.678 -11.974 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -12.939 8.425 -13.093 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.259 5.748 -8.514 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.217 4.936 -9.333 1.00 0.27 C ATOM 2912 C ARG B 87 -16.508 5.638 -10.657 1.00 0.28 C ATOM 2913 O ARG B 87 -16.657 6.842 -10.717 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.534 4.748 -8.574 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.275 4.045 -7.236 1.00 0.61 C ATOM 2916 CD ARG B 87 -16.805 2.608 -7.478 1.00 0.42 C ATOM 2917 NE ARG B 87 -17.037 1.796 -6.250 1.00 0.48 N ATOM 2918 CZ ARG B 87 -18.203 1.248 -6.035 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -19.177 1.426 -6.886 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -18.396 0.527 -4.966 1.00 0.87 N ATOM 0 H ARG B 87 -15.652 6.596 -8.106 1.00 0.28 H new ATOM 0 HA ARG B 87 -15.762 3.964 -9.526 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -18.004 5.716 -8.400 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.228 4.160 -9.174 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.521 4.592 -6.669 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.185 4.042 -6.636 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.344 2.175 -8.321 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -15.747 2.599 -7.738 1.00 0.42 H new ATOM 0 HE ARG B 87 -16.283 1.668 -5.575 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -19.028 1.994 -7.720 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -20.087 0.997 -6.717 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -17.637 0.391 -4.298 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -19.306 0.099 -4.797 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.613 4.872 -11.711 1.00 0.28 N ATOM 2935 CA VAL B 88 -16.920 5.451 -13.055 1.00 0.32 C ATOM 2936 C VAL B 88 -18.285 4.928 -13.501 1.00 0.34 C ATOM 2937 O VAL B 88 -18.831 5.344 -14.503 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.850 5.019 -14.065 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -16.378 5.199 -15.489 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.594 5.871 -13.886 1.00 0.68 C ATOM 0 H VAL B 88 -16.498 3.859 -11.699 1.00 0.28 H new ATOM 0 HA VAL B 88 -16.931 6.540 -12.999 1.00 0.32 H new ATOM 0 HB VAL B 88 -15.608 3.970 -13.895 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -15.614 4.891 -16.202 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -17.270 4.588 -15.626 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -16.627 6.247 -15.655 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.837 5.560 -14.606 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.840 6.920 -14.049 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.208 5.742 -12.875 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.844 4.023 -12.749 1.00 0.33 N ATOM 2951 CA TYR B 89 -20.179 3.476 -13.110 1.00 0.39 C ATOM 2952 C TYR B 89 -20.776 2.748 -11.905 1.00 0.50 C ATOM 2953 O TYR B 89 -21.918 2.328 -11.997 1.00 1.12 O ATOM 2954 CB TYR B 89 -20.035 2.501 -14.280 1.00 0.41 C ATOM 2955 CG TYR B 89 -21.066 2.826 -15.334 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -22.413 2.512 -15.116 1.00 1.47 C ATOM 2957 CD2 TYR B 89 -20.675 3.443 -16.528 1.00 1.13 C ATOM 2958 CE1 TYR B 89 -23.369 2.817 -16.092 1.00 1.77 C ATOM 2959 CE2 TYR B 89 -21.632 3.746 -17.505 1.00 1.27 C ATOM 2960 CZ TYR B 89 -22.979 3.432 -17.286 1.00 1.26 C ATOM 2961 OH TYR B 89 -23.922 3.733 -18.248 1.00 1.66 O ATOM 2962 OXT TYR B 89 -20.081 2.623 -10.910 1.00 1.01 O ATOM 0 H TYR B 89 -18.433 3.638 -11.899 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.838 4.294 -13.402 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -19.033 2.569 -14.703 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -20.165 1.476 -13.932 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -22.714 2.035 -14.195 1.00 1.47 H new ATOM 0 HD2 TYR B 89 -19.636 3.685 -16.696 1.00 1.13 H new ATOM 0 HE1 TYR B 89 -24.408 2.577 -15.923 1.00 1.77 H new ATOM 0 HE2 TYR B 89 -21.331 4.222 -18.427 1.00 1.27 H new ATOM 0 HH TYR B 89 -23.483 4.158 -19.014 1.00 1.66 H new TER 2972 TYR B 89