USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 43 HIS : no HD1:sc= 0 X(o=-0.84,f=-0.94) USER MOD Set 1.2: A 76 THR OG1 : rot -8:sc= -0.837! USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.03) USER MOD Single : A 21 TYR OH : rot 26:sc= 0.469 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0.727 (180deg=0.644) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.49) USER MOD Single : A 31 SER OG : rot -32:sc= 1.04 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-2.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -170:sc= 0 (180deg=-0.0884) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -8:sc= 0.208 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 84:sc= 0.362 USER MOD Single : A 52 CYS SG : rot 85:sc= -1.49! USER MOD Single : A 53 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.6!) USER MOD Single : A 59 MET CE :methyl 159:sc= -2.6! (180deg=-3.81!) USER MOD Single : A 60 ASN : amide:sc= -4.27! C(o=-4.3!,f=-8.9!) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -2.04! K(o=-2!,f=-0.021) USER MOD Single : A 75 HIS : no HD1:sc= -9.15! C(o=-9.2!,f=-5.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -141:sc= -6.69! (180deg=-10.6!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B2706 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.6!) USER MOD Single : B2716 LYS NZ :NH3+ -162:sc= -0.0312 (180deg=-0.255) USER MOD Single : B2717 LYS NZ :NH3+ -168:sc= -0.25 (180deg=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 16.237 -1.003 -3.375 1.00 0.96 N ATOM 2 CA GLU A 20 16.135 -0.489 -1.985 1.00 0.70 C ATOM 3 C GLU A 20 14.726 0.006 -1.685 1.00 0.59 C ATOM 4 O GLU A 20 13.961 -0.665 -0.995 1.00 0.67 O ATOM 5 CB GLU A 20 17.148 0.637 -1.760 1.00 1.25 C ATOM 6 CG GLU A 20 18.546 0.139 -1.433 1.00 1.46 C ATOM 7 CD GLU A 20 18.589 -0.659 -0.143 1.00 1.47 C ATOM 8 OE1 GLU A 20 18.641 -0.036 0.939 1.00 2.00 O ATOM 9 OE2 GLU A 20 18.569 -1.905 -0.214 1.00 1.24 O ATOM 0 HA GLU A 20 16.359 -1.310 -1.304 1.00 0.70 H new ATOM 0 HB2 GLU A 20 17.192 1.259 -2.654 1.00 1.25 H new ATOM 0 HB3 GLU A 20 16.798 1.273 -0.947 1.00 1.25 H new ATOM 0 HG2 GLU A 20 18.909 -0.481 -2.253 1.00 1.46 H new ATOM 0 HG3 GLU A 20 19.222 0.990 -1.353 1.00 1.46 H new ATOM 16 N TYR A 21 14.383 1.180 -2.210 1.00 0.54 N ATOM 17 CA TYR A 21 13.063 1.760 -1.986 1.00 0.47 C ATOM 18 C TYR A 21 12.301 1.930 -3.295 1.00 0.46 C ATOM 19 O TYR A 21 12.839 2.439 -4.280 1.00 0.54 O ATOM 20 CB TYR A 21 13.186 3.117 -1.288 1.00 0.47 C ATOM 21 CG TYR A 21 13.291 3.027 0.218 1.00 0.51 C ATOM 22 CD1 TYR A 21 12.160 2.821 0.998 1.00 0.49 C ATOM 23 CD2 TYR A 21 14.516 3.156 0.859 1.00 0.68 C ATOM 24 CE1 TYR A 21 12.246 2.748 2.374 1.00 0.59 C ATOM 25 CE2 TYR A 21 14.611 3.081 2.235 1.00 0.79 C ATOM 26 CZ TYR A 21 13.473 2.878 2.988 1.00 0.72 C ATOM 27 OH TYR A 21 13.563 2.804 4.359 1.00 0.86 O ATOM 0 H TYR A 21 15.000 1.747 -2.792 1.00 0.54 H new ATOM 0 HA TYR A 21 12.507 1.072 -1.349 1.00 0.47 H new ATOM 0 HB2 TYR A 21 14.065 3.634 -1.673 1.00 0.47 H new ATOM 0 HB3 TYR A 21 12.320 3.726 -1.546 1.00 0.47 H new ATOM 0 HD1 TYR A 21 11.197 2.716 0.520 1.00 0.49 H new ATOM 0 HD2 TYR A 21 15.408 3.317 0.273 1.00 0.68 H new ATOM 0 HE1 TYR A 21 11.357 2.590 2.966 1.00 0.59 H new ATOM 0 HE2 TYR A 21 15.571 3.181 2.719 1.00 0.79 H new ATOM 0 HH TYR A 21 12.817 2.273 4.708 1.00 0.86 H new ATOM 37 N ILE A 22 11.046 1.495 -3.296 1.00 0.45 N ATOM 38 CA ILE A 22 10.191 1.609 -4.471 1.00 0.47 C ATOM 39 C ILE A 22 9.104 2.651 -4.228 1.00 0.46 C ATOM 40 O ILE A 22 8.691 2.876 -3.088 1.00 0.50 O ATOM 41 CB ILE A 22 9.534 0.262 -4.844 1.00 0.55 C ATOM 42 CG1 ILE A 22 8.781 -0.322 -3.647 1.00 0.57 C ATOM 43 CG2 ILE A 22 10.583 -0.720 -5.349 1.00 0.62 C ATOM 44 CD1 ILE A 22 7.860 -1.465 -4.009 1.00 0.68 C ATOM 0 H ILE A 22 10.597 1.058 -2.491 1.00 0.45 H new ATOM 0 HA ILE A 22 10.825 1.916 -5.303 1.00 0.47 H new ATOM 0 HB ILE A 22 8.815 0.440 -5.644 1.00 0.55 H new ATOM 0 HG12 ILE A 22 9.504 -0.669 -2.908 1.00 0.57 H new ATOM 0 HG13 ILE A 22 8.197 0.468 -3.175 1.00 0.57 H new ATOM 0 HG21 ILE A 22 10.103 -1.664 -5.607 1.00 0.62 H new ATOM 0 HG22 ILE A 22 11.072 -0.308 -6.232 1.00 0.62 H new ATOM 0 HG23 ILE A 22 11.326 -0.892 -4.570 1.00 0.62 H new ATOM 0 HD11 ILE A 22 7.360 -1.828 -3.111 1.00 0.68 H new ATOM 0 HD12 ILE A 22 7.114 -1.119 -4.724 1.00 0.68 H new ATOM 0 HD13 ILE A 22 8.441 -2.273 -4.453 1.00 0.68 H new ATOM 56 N LYS A 23 8.648 3.293 -5.298 1.00 0.47 N ATOM 57 CA LYS A 23 7.613 4.314 -5.185 1.00 0.49 C ATOM 58 C LYS A 23 6.240 3.738 -5.512 1.00 0.42 C ATOM 59 O LYS A 23 5.949 3.417 -6.662 1.00 0.51 O ATOM 60 CB LYS A 23 7.920 5.492 -6.115 1.00 0.64 C ATOM 61 CG LYS A 23 7.071 6.725 -5.839 1.00 0.75 C ATOM 62 CD LYS A 23 7.144 7.728 -6.983 1.00 0.95 C ATOM 63 CE LYS A 23 8.560 8.242 -7.195 1.00 1.11 C ATOM 64 NZ LYS A 23 8.640 9.190 -8.341 1.00 1.37 N ATOM 0 H LYS A 23 8.977 3.126 -6.249 1.00 0.47 H new ATOM 0 HA LYS A 23 7.602 4.668 -4.154 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.973 5.757 -6.016 1.00 0.64 H new ATOM 0 HB3 LYS A 23 7.765 5.179 -7.147 1.00 0.64 H new ATOM 0 HG2 LYS A 23 6.035 6.426 -5.683 1.00 0.75 H new ATOM 0 HG3 LYS A 23 7.408 7.199 -4.917 1.00 0.75 H new ATOM 0 HD2 LYS A 23 6.786 7.260 -7.900 1.00 0.95 H new ATOM 0 HD3 LYS A 23 6.480 8.567 -6.774 1.00 0.95 H new ATOM 0 HE2 LYS A 23 8.906 8.738 -6.288 1.00 1.11 H new ATOM 0 HE3 LYS A 23 9.229 7.400 -7.373 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 9.638 9.373 -8.571 1.00 1.37 H new ATOM 0 HZ2 LYS A 23 8.164 8.776 -9.168 1.00 1.37 H new ATOM 0 HZ3 LYS A 23 8.174 10.084 -8.085 1.00 1.37 H new ATOM 78 N LEU A 24 5.405 3.601 -4.489 1.00 0.35 N ATOM 79 CA LEU A 24 4.057 3.075 -4.667 1.00 0.33 C ATOM 80 C LEU A 24 3.026 4.174 -4.441 1.00 0.33 C ATOM 81 O LEU A 24 2.923 4.724 -3.344 1.00 0.34 O ATOM 82 CB LEU A 24 3.805 1.910 -3.705 1.00 0.35 C ATOM 83 CG LEU A 24 4.674 0.672 -3.938 1.00 0.39 C ATOM 84 CD1 LEU A 24 4.433 -0.361 -2.850 1.00 0.49 C ATOM 85 CD2 LEU A 24 4.397 0.074 -5.309 1.00 0.42 C ATOM 0 H LEU A 24 5.638 3.847 -3.527 1.00 0.35 H new ATOM 0 HA LEU A 24 3.962 2.709 -5.689 1.00 0.33 H new ATOM 0 HB2 LEU A 24 3.966 2.260 -2.686 1.00 0.35 H new ATOM 0 HB3 LEU A 24 2.757 1.618 -3.780 1.00 0.35 H new ATOM 0 HG LEU A 24 5.720 0.976 -3.900 1.00 0.39 H new ATOM 0 HD11 LEU A 24 5.059 -1.234 -3.032 1.00 0.49 H new ATOM 0 HD12 LEU A 24 4.682 0.068 -1.879 1.00 0.49 H new ATOM 0 HD13 LEU A 24 3.384 -0.659 -2.857 1.00 0.49 H new ATOM 0 HD21 LEU A 24 5.024 -0.805 -5.456 1.00 0.42 H new ATOM 0 HD22 LEU A 24 3.348 -0.214 -5.375 1.00 0.42 H new ATOM 0 HD23 LEU A 24 4.620 0.812 -6.080 1.00 0.42 H new ATOM 97 N LYS A 25 2.270 4.494 -5.485 1.00 0.37 N ATOM 98 CA LYS A 25 1.253 5.535 -5.398 1.00 0.41 C ATOM 99 C LYS A 25 -0.068 4.980 -4.887 1.00 0.42 C ATOM 100 O LYS A 25 -0.782 4.289 -5.611 1.00 0.46 O ATOM 101 CB LYS A 25 1.037 6.187 -6.762 1.00 0.48 C ATOM 102 CG LYS A 25 2.161 7.114 -7.184 1.00 0.50 C ATOM 103 CD LYS A 25 1.824 7.828 -8.481 1.00 0.64 C ATOM 104 CE LYS A 25 2.805 8.949 -8.772 1.00 0.67 C ATOM 105 NZ LYS A 25 2.508 9.622 -10.067 1.00 0.85 N ATOM 0 H LYS A 25 2.342 4.049 -6.400 1.00 0.37 H new ATOM 0 HA LYS A 25 1.611 6.283 -4.690 1.00 0.41 H new ATOM 0 HB2 LYS A 25 0.922 5.406 -7.513 1.00 0.48 H new ATOM 0 HB3 LYS A 25 0.104 6.749 -6.741 1.00 0.48 H new ATOM 0 HG2 LYS A 25 2.346 7.847 -6.399 1.00 0.50 H new ATOM 0 HG3 LYS A 25 3.081 6.542 -7.309 1.00 0.50 H new ATOM 0 HD2 LYS A 25 1.833 7.113 -9.304 1.00 0.64 H new ATOM 0 HD3 LYS A 25 0.814 8.234 -8.422 1.00 0.64 H new ATOM 0 HE2 LYS A 25 2.770 9.681 -7.965 1.00 0.67 H new ATOM 0 HE3 LYS A 25 3.818 8.548 -8.795 1.00 0.67 H new ATOM 0 HZ1 LYS A 25 3.200 10.381 -10.230 1.00 0.85 H new ATOM 0 HZ2 LYS A 25 2.566 8.929 -10.840 1.00 0.85 H new ATOM 0 HZ3 LYS A 25 1.550 10.026 -10.036 1.00 0.85 H new ATOM 119 N VAL A 26 -0.385 5.283 -3.633 1.00 0.42 N ATOM 120 CA VAL A 26 -1.632 4.831 -3.031 1.00 0.45 C ATOM 121 C VAL A 26 -2.729 5.863 -3.279 1.00 0.49 C ATOM 122 O VAL A 26 -2.809 6.884 -2.594 1.00 0.49 O ATOM 123 CB VAL A 26 -1.475 4.580 -1.517 1.00 0.44 C ATOM 124 CG1 VAL A 26 -2.774 4.068 -0.917 1.00 0.48 C ATOM 125 CG2 VAL A 26 -0.343 3.597 -1.259 1.00 0.43 C ATOM 0 H VAL A 26 0.205 5.840 -3.014 1.00 0.42 H new ATOM 0 HA VAL A 26 -1.907 3.885 -3.497 1.00 0.45 H new ATOM 0 HB VAL A 26 -1.230 5.527 -1.036 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -2.639 3.898 0.151 1.00 0.48 H new ATOM 0 HG12 VAL A 26 -3.561 4.806 -1.071 1.00 0.48 H new ATOM 0 HG13 VAL A 26 -3.054 3.132 -1.401 1.00 0.48 H new ATOM 0 HG21 VAL A 26 -0.244 3.430 -0.187 1.00 0.43 H new ATOM 0 HG22 VAL A 26 -0.562 2.652 -1.755 1.00 0.43 H new ATOM 0 HG23 VAL A 26 0.589 4.005 -1.650 1.00 0.43 H new ATOM 135 N ILE A 27 -3.560 5.590 -4.276 1.00 0.54 N ATOM 136 CA ILE A 27 -4.635 6.492 -4.651 1.00 0.59 C ATOM 137 C ILE A 27 -5.974 6.005 -4.129 1.00 0.63 C ATOM 138 O ILE A 27 -6.431 4.916 -4.476 1.00 0.67 O ATOM 139 CB ILE A 27 -4.724 6.633 -6.174 1.00 0.65 C ATOM 140 CG1 ILE A 27 -3.494 7.373 -6.696 1.00 0.64 C ATOM 141 CG2 ILE A 27 -5.989 7.375 -6.554 1.00 0.72 C ATOM 142 CD1 ILE A 27 -3.497 7.591 -8.195 1.00 0.72 C ATOM 0 H ILE A 27 -3.507 4.743 -4.842 1.00 0.54 H new ATOM 0 HA ILE A 27 -4.407 7.460 -4.205 1.00 0.59 H new ATOM 0 HB ILE A 27 -4.756 5.641 -6.625 1.00 0.65 H new ATOM 0 HG12 ILE A 27 -3.426 8.340 -6.199 1.00 0.64 H new ATOM 0 HG13 ILE A 27 -2.601 6.811 -6.423 1.00 0.64 H new ATOM 0 HG21 ILE A 27 -6.043 7.470 -7.638 1.00 0.72 H new ATOM 0 HG22 ILE A 27 -6.857 6.822 -6.194 1.00 0.72 H new ATOM 0 HG23 ILE A 27 -5.978 8.367 -6.103 1.00 0.72 H new ATOM 0 HD11 ILE A 27 -2.591 8.122 -8.487 1.00 0.72 H new ATOM 0 HD12 ILE A 27 -3.532 6.627 -8.703 1.00 0.72 H new ATOM 0 HD13 ILE A 27 -4.370 8.181 -8.475 1.00 0.72 H new ATOM 154 N GLY A 28 -6.601 6.827 -3.292 1.00 0.64 N ATOM 155 CA GLY A 28 -7.889 6.477 -2.725 1.00 0.69 C ATOM 156 C GLY A 28 -9.039 6.706 -3.686 1.00 0.77 C ATOM 157 O GLY A 28 -8.825 6.874 -4.887 1.00 0.79 O ATOM 0 H GLY A 28 -6.237 7.733 -2.996 1.00 0.64 H new ATOM 0 HA2 GLY A 28 -7.876 5.429 -2.426 1.00 0.69 H new ATOM 0 HA3 GLY A 28 -8.054 7.065 -1.822 1.00 0.69 H new ATOM 161 N GLN A 29 -10.261 6.723 -3.161 1.00 0.82 N ATOM 162 CA GLN A 29 -11.431 6.927 -4.004 1.00 0.90 C ATOM 163 C GLN A 29 -12.158 8.220 -3.665 1.00 0.92 C ATOM 164 O GLN A 29 -13.382 8.253 -3.567 1.00 0.99 O ATOM 165 CB GLN A 29 -12.384 5.738 -3.871 1.00 0.96 C ATOM 166 CG GLN A 29 -13.090 5.413 -5.168 1.00 1.04 C ATOM 167 CD GLN A 29 -12.114 5.328 -6.328 1.00 1.02 C ATOM 168 OE1 GLN A 29 -11.290 4.414 -6.398 1.00 1.00 O ATOM 169 NE2 GLN A 29 -12.191 6.296 -7.237 1.00 1.05 N ATOM 0 H GLN A 29 -10.464 6.600 -2.169 1.00 0.82 H new ATOM 0 HA GLN A 29 -11.086 7.005 -5.035 1.00 0.90 H new ATOM 0 HB2 GLN A 29 -11.825 4.864 -3.537 1.00 0.96 H new ATOM 0 HB3 GLN A 29 -13.125 5.955 -3.102 1.00 0.96 H new ATOM 0 HG2 GLN A 29 -13.620 4.466 -5.067 1.00 1.04 H new ATOM 0 HG3 GLN A 29 -13.839 6.177 -5.377 1.00 1.04 H new ATOM 0 HE21 GLN A 29 -12.889 7.033 -7.139 1.00 1.05 H new ATOM 0 HE22 GLN A 29 -11.552 6.301 -8.032 1.00 1.05 H new ATOM 178 N ASP A 30 -11.383 9.284 -3.495 1.00 0.88 N ATOM 179 CA ASP A 30 -11.920 10.598 -3.166 1.00 0.92 C ATOM 180 C ASP A 30 -10.852 11.670 -3.363 1.00 0.89 C ATOM 181 O ASP A 30 -10.874 12.720 -2.715 1.00 0.91 O ATOM 182 CB ASP A 30 -12.440 10.609 -1.719 1.00 0.92 C ATOM 183 CG ASP A 30 -11.454 10.008 -0.729 1.00 0.86 C ATOM 184 OD1 ASP A 30 -10.327 9.661 -1.142 1.00 0.81 O ATOM 185 OD2 ASP A 30 -11.809 9.884 0.464 1.00 0.88 O ATOM 0 H ASP A 30 -10.367 9.260 -3.581 1.00 0.88 H new ATOM 0 HA ASP A 30 -12.753 10.817 -3.834 1.00 0.92 H new ATOM 0 HB2 ASP A 30 -12.661 11.635 -1.426 1.00 0.92 H new ATOM 0 HB3 ASP A 30 -13.378 10.055 -1.671 1.00 0.92 H new ATOM 190 N SER A 31 -9.928 11.385 -4.280 1.00 0.87 N ATOM 191 CA SER A 31 -8.822 12.277 -4.624 1.00 0.86 C ATOM 192 C SER A 31 -7.746 12.347 -3.532 1.00 0.80 C ATOM 193 O SER A 31 -6.879 13.228 -3.546 1.00 0.81 O ATOM 194 CB SER A 31 -9.351 13.679 -4.938 1.00 0.93 C ATOM 195 OG SER A 31 -8.302 14.535 -5.357 1.00 0.95 O ATOM 0 H SER A 31 -9.927 10.515 -4.812 1.00 0.87 H new ATOM 0 HA SER A 31 -8.344 11.858 -5.509 1.00 0.86 H new ATOM 0 HB2 SER A 31 -10.110 13.619 -5.718 1.00 0.93 H new ATOM 0 HB3 SER A 31 -9.834 14.096 -4.054 1.00 0.93 H new ATOM 0 HG SER A 31 -7.471 14.280 -4.904 1.00 0.95 H new ATOM 201 N SER A 32 -7.807 11.406 -2.593 1.00 0.75 N ATOM 202 CA SER A 32 -6.841 11.332 -1.506 1.00 0.71 C ATOM 203 C SER A 32 -5.627 10.538 -1.971 1.00 0.65 C ATOM 204 O SER A 32 -5.666 9.309 -2.006 1.00 0.62 O ATOM 205 CB SER A 32 -7.466 10.643 -0.294 1.00 0.71 C ATOM 206 OG SER A 32 -6.498 10.400 0.712 1.00 0.69 O ATOM 0 H SER A 32 -8.523 10.680 -2.566 1.00 0.75 H new ATOM 0 HA SER A 32 -6.539 12.341 -1.223 1.00 0.71 H new ATOM 0 HB2 SER A 32 -8.265 11.265 0.109 1.00 0.71 H new ATOM 0 HB3 SER A 32 -7.919 9.701 -0.602 1.00 0.71 H new ATOM 0 HG SER A 32 -6.924 9.960 1.477 1.00 0.69 H new ATOM 212 N GLU A 33 -4.534 11.213 -2.315 1.00 0.64 N ATOM 213 CA GLU A 33 -3.356 10.484 -2.768 1.00 0.59 C ATOM 214 C GLU A 33 -2.255 10.545 -1.721 1.00 0.55 C ATOM 215 O GLU A 33 -2.120 11.539 -1.013 1.00 0.69 O ATOM 216 CB GLU A 33 -2.861 11.030 -4.109 1.00 0.64 C ATOM 217 CG GLU A 33 -1.836 10.133 -4.786 1.00 0.56 C ATOM 218 CD GLU A 33 -1.466 10.608 -6.176 1.00 0.64 C ATOM 219 OE1 GLU A 33 -2.374 10.713 -7.028 1.00 1.12 O ATOM 220 OE2 GLU A 33 -0.270 10.871 -6.415 1.00 0.84 O ATOM 0 H GLU A 33 -4.439 12.228 -2.291 1.00 0.64 H new ATOM 0 HA GLU A 33 -3.635 9.440 -2.911 1.00 0.59 H new ATOM 0 HB2 GLU A 33 -3.713 11.163 -4.776 1.00 0.64 H new ATOM 0 HB3 GLU A 33 -2.423 12.016 -3.952 1.00 0.64 H new ATOM 0 HG2 GLU A 33 -0.937 10.088 -4.171 1.00 0.56 H new ATOM 0 HG3 GLU A 33 -2.231 9.119 -4.847 1.00 0.56 H new ATOM 227 N ILE A 34 -1.496 9.457 -1.601 1.00 0.45 N ATOM 228 CA ILE A 34 -0.402 9.376 -0.637 1.00 0.41 C ATOM 229 C ILE A 34 0.762 8.561 -1.209 1.00 0.37 C ATOM 230 O ILE A 34 0.546 7.505 -1.803 1.00 0.34 O ATOM 231 CB ILE A 34 -0.864 8.737 0.704 1.00 0.42 C ATOM 232 CG1 ILE A 34 -1.967 9.582 1.355 1.00 0.48 C ATOM 233 CG2 ILE A 34 0.314 8.579 1.661 1.00 0.49 C ATOM 234 CD1 ILE A 34 -2.457 9.044 2.683 1.00 0.57 C ATOM 0 H ILE A 34 -1.621 8.615 -2.163 1.00 0.45 H new ATOM 0 HA ILE A 34 -0.073 10.396 -0.440 1.00 0.41 H new ATOM 0 HB ILE A 34 -1.268 7.748 0.486 1.00 0.42 H new ATOM 0 HG12 ILE A 34 -1.594 10.596 1.501 1.00 0.48 H new ATOM 0 HG13 ILE A 34 -2.811 9.649 0.669 1.00 0.48 H new ATOM 0 HG21 ILE A 34 -0.032 8.130 2.592 1.00 0.49 H new ATOM 0 HG22 ILE A 34 1.068 7.937 1.207 1.00 0.49 H new ATOM 0 HG23 ILE A 34 0.748 9.557 1.869 1.00 0.49 H new ATOM 0 HD11 ILE A 34 -3.235 9.698 3.076 1.00 0.57 H new ATOM 0 HD12 ILE A 34 -2.862 8.042 2.542 1.00 0.57 H new ATOM 0 HD13 ILE A 34 -1.627 9.004 3.388 1.00 0.57 H new ATOM 246 N HIS A 35 1.996 9.049 -1.032 1.00 0.41 N ATOM 247 CA HIS A 35 3.167 8.327 -1.528 1.00 0.40 C ATOM 248 C HIS A 35 3.658 7.335 -0.485 1.00 0.40 C ATOM 249 O HIS A 35 3.617 7.605 0.716 1.00 0.58 O ATOM 250 CB HIS A 35 4.297 9.287 -1.896 1.00 0.54 C ATOM 251 CG HIS A 35 4.322 9.657 -3.346 1.00 0.61 C ATOM 252 ND1 HIS A 35 4.734 10.884 -3.819 1.00 0.82 N ATOM 253 CD2 HIS A 35 3.982 8.928 -4.439 1.00 0.77 C ATOM 254 CE1 HIS A 35 4.632 10.863 -5.154 1.00 0.90 C ATOM 255 NE2 HIS A 35 4.182 9.700 -5.581 1.00 0.91 N ATOM 0 H HIS A 35 2.205 9.927 -0.556 1.00 0.41 H new ATOM 0 HA HIS A 35 2.867 7.788 -2.427 1.00 0.40 H new ATOM 0 HB2 HIS A 35 4.200 10.194 -1.300 1.00 0.54 H new ATOM 0 HB3 HIS A 35 5.251 8.831 -1.630 1.00 0.54 H new ATOM 0 HD1 HIS A 35 5.059 11.668 -3.253 1.00 0.82 H new ATOM 0 HD2 HIS A 35 3.615 7.912 -4.426 1.00 0.77 H new ATOM 0 HE1 HIS A 35 4.886 11.692 -5.798 1.00 0.90 H new ATOM 263 N PHE A 36 4.130 6.187 -0.958 1.00 0.39 N ATOM 264 CA PHE A 36 4.600 5.134 -0.072 1.00 0.48 C ATOM 265 C PHE A 36 5.938 4.554 -0.525 1.00 0.45 C ATOM 266 O PHE A 36 6.014 3.873 -1.548 1.00 0.54 O ATOM 267 CB PHE A 36 3.559 4.013 -0.026 1.00 0.65 C ATOM 268 CG PHE A 36 2.979 3.761 1.334 1.00 0.66 C ATOM 269 CD1 PHE A 36 3.725 3.127 2.314 1.00 1.39 C ATOM 270 CD2 PHE A 36 1.679 4.140 1.625 1.00 0.73 C ATOM 271 CE1 PHE A 36 3.183 2.878 3.560 1.00 1.54 C ATOM 272 CE2 PHE A 36 1.134 3.895 2.868 1.00 0.80 C ATOM 273 CZ PHE A 36 1.887 3.263 3.837 1.00 0.99 C ATOM 0 H PHE A 36 4.196 5.964 -1.951 1.00 0.39 H new ATOM 0 HA PHE A 36 4.743 5.572 0.916 1.00 0.48 H new ATOM 0 HB2 PHE A 36 2.749 4.258 -0.713 1.00 0.65 H new ATOM 0 HB3 PHE A 36 4.018 3.093 -0.388 1.00 0.65 H new ATOM 0 HD1 PHE A 36 4.740 2.825 2.102 1.00 1.39 H new ATOM 0 HD2 PHE A 36 1.085 4.633 0.870 1.00 0.73 H new ATOM 0 HE1 PHE A 36 3.773 2.382 4.317 1.00 1.54 H new ATOM 0 HE2 PHE A 36 0.120 4.197 3.083 1.00 0.80 H new ATOM 0 HZ PHE A 36 1.462 3.070 4.811 1.00 0.99 H new ATOM 283 N LYS A 37 6.993 4.832 0.236 1.00 0.43 N ATOM 284 CA LYS A 37 8.311 4.289 -0.066 1.00 0.42 C ATOM 285 C LYS A 37 8.489 2.992 0.710 1.00 0.39 C ATOM 286 O LYS A 37 8.647 3.008 1.928 1.00 0.38 O ATOM 287 CB LYS A 37 9.413 5.288 0.296 1.00 0.47 C ATOM 288 CG LYS A 37 9.559 6.421 -0.705 1.00 0.56 C ATOM 289 CD LYS A 37 10.751 7.305 -0.378 1.00 0.65 C ATOM 290 CE LYS A 37 10.966 8.366 -1.446 1.00 0.80 C ATOM 291 NZ LYS A 37 12.151 9.220 -1.155 1.00 0.94 N ATOM 0 H LYS A 37 6.960 5.428 1.063 1.00 0.43 H new ATOM 0 HA LYS A 37 8.387 4.095 -1.136 1.00 0.42 H new ATOM 0 HB2 LYS A 37 9.202 5.708 1.279 1.00 0.47 H new ATOM 0 HB3 LYS A 37 10.362 4.757 0.373 1.00 0.47 H new ATOM 0 HG2 LYS A 37 9.675 6.009 -1.708 1.00 0.56 H new ATOM 0 HG3 LYS A 37 8.650 7.022 -0.710 1.00 0.56 H new ATOM 0 HD2 LYS A 37 10.595 7.786 0.588 1.00 0.65 H new ATOM 0 HD3 LYS A 37 11.647 6.691 -0.288 1.00 0.65 H new ATOM 0 HE2 LYS A 37 11.096 7.884 -2.415 1.00 0.80 H new ATOM 0 HE3 LYS A 37 10.077 8.992 -1.519 1.00 0.80 H new ATOM 0 HZ1 LYS A 37 12.261 9.929 -1.908 1.00 0.94 H new ATOM 0 HZ2 LYS A 37 12.017 9.701 -0.243 1.00 0.94 H new ATOM 0 HZ3 LYS A 37 13.004 8.627 -1.111 1.00 0.94 H new ATOM 305 N VAL A 38 8.460 1.872 0.000 1.00 0.42 N ATOM 306 CA VAL A 38 8.569 0.564 0.636 1.00 0.44 C ATOM 307 C VAL A 38 9.877 -0.137 0.294 1.00 0.46 C ATOM 308 O VAL A 38 10.302 -0.147 -0.861 1.00 0.52 O ATOM 309 CB VAL A 38 7.385 -0.340 0.212 1.00 0.49 C ATOM 310 CG1 VAL A 38 7.479 -1.719 0.850 1.00 0.60 C ATOM 311 CG2 VAL A 38 6.059 0.317 0.560 1.00 0.53 C ATOM 0 H VAL A 38 8.362 1.842 -1.015 1.00 0.42 H new ATOM 0 HA VAL A 38 8.546 0.734 1.712 1.00 0.44 H new ATOM 0 HB VAL A 38 7.439 -0.469 -0.869 1.00 0.49 H new ATOM 0 HG11 VAL A 38 6.632 -2.326 0.530 1.00 0.60 H new ATOM 0 HG12 VAL A 38 8.407 -2.200 0.542 1.00 0.60 H new ATOM 0 HG13 VAL A 38 7.465 -1.619 1.935 1.00 0.60 H new ATOM 0 HG21 VAL A 38 5.239 -0.333 0.254 1.00 0.53 H new ATOM 0 HG22 VAL A 38 6.007 0.485 1.636 1.00 0.53 H new ATOM 0 HG23 VAL A 38 5.978 1.271 0.040 1.00 0.53 H new ATOM 321 N LYS A 39 10.524 -0.709 1.312 1.00 0.47 N ATOM 322 CA LYS A 39 11.761 -1.448 1.100 1.00 0.53 C ATOM 323 C LYS A 39 11.449 -2.809 0.481 1.00 0.57 C ATOM 324 O LYS A 39 10.392 -3.385 0.733 1.00 0.65 O ATOM 325 CB LYS A 39 12.521 -1.627 2.416 1.00 0.61 C ATOM 326 CG LYS A 39 13.710 -0.692 2.557 1.00 0.53 C ATOM 327 CD LYS A 39 14.517 -0.999 3.808 1.00 1.09 C ATOM 328 CE LYS A 39 15.777 -0.150 3.877 1.00 1.08 C ATOM 329 NZ LYS A 39 16.596 -0.464 5.080 1.00 1.98 N ATOM 0 H LYS A 39 10.211 -0.673 2.282 1.00 0.47 H new ATOM 0 HA LYS A 39 12.393 -0.879 0.418 1.00 0.53 H new ATOM 0 HB2 LYS A 39 11.837 -1.461 3.248 1.00 0.61 H new ATOM 0 HB3 LYS A 39 12.868 -2.658 2.490 1.00 0.61 H new ATOM 0 HG2 LYS A 39 14.350 -0.781 1.679 1.00 0.53 H new ATOM 0 HG3 LYS A 39 13.360 0.340 2.593 1.00 0.53 H new ATOM 0 HD2 LYS A 39 13.905 -0.817 4.691 1.00 1.09 H new ATOM 0 HD3 LYS A 39 14.787 -2.055 3.819 1.00 1.09 H new ATOM 0 HE2 LYS A 39 16.374 -0.313 2.980 1.00 1.08 H new ATOM 0 HE3 LYS A 39 15.503 0.905 3.890 1.00 1.08 H new ATOM 0 HZ1 LYS A 39 17.445 0.137 5.088 1.00 1.98 H new ATOM 0 HZ2 LYS A 39 16.036 -0.284 5.938 1.00 1.98 H new ATOM 0 HZ3 LYS A 39 16.880 -1.464 5.055 1.00 1.98 H new ATOM 343 N MET A 40 12.368 -3.319 -0.334 1.00 0.63 N ATOM 344 CA MET A 40 12.172 -4.611 -0.990 1.00 0.72 C ATOM 345 C MET A 40 12.359 -5.770 -0.011 1.00 0.75 C ATOM 346 O MET A 40 12.086 -6.925 -0.344 1.00 0.85 O ATOM 347 CB MET A 40 13.122 -4.759 -2.179 1.00 0.85 C ATOM 348 CG MET A 40 12.899 -3.718 -3.266 1.00 0.94 C ATOM 349 SD MET A 40 13.575 -4.211 -4.864 1.00 1.31 S ATOM 350 CE MET A 40 15.297 -4.481 -4.451 1.00 1.48 C ATOM 0 H MET A 40 13.252 -2.861 -0.556 1.00 0.63 H new ATOM 0 HA MET A 40 11.145 -4.644 -1.354 1.00 0.72 H new ATOM 0 HB2 MET A 40 14.150 -4.688 -1.824 1.00 0.85 H new ATOM 0 HB3 MET A 40 13.002 -5.753 -2.609 1.00 0.85 H new ATOM 0 HG2 MET A 40 11.830 -3.534 -3.371 1.00 0.94 H new ATOM 0 HG3 MET A 40 13.356 -2.777 -2.959 1.00 0.94 H new ATOM 0 HE1 MET A 40 15.874 -4.616 -5.366 1.00 1.48 H new ATOM 0 HE2 MET A 40 15.680 -3.619 -3.905 1.00 1.48 H new ATOM 0 HE3 MET A 40 15.387 -5.372 -3.830 1.00 1.48 H new ATOM 360 N THR A 41 12.821 -5.455 1.196 1.00 0.74 N ATOM 361 CA THR A 41 13.032 -6.462 2.229 1.00 0.82 C ATOM 362 C THR A 41 11.749 -6.686 3.029 1.00 0.78 C ATOM 363 O THR A 41 11.513 -7.773 3.556 1.00 0.96 O ATOM 364 CB THR A 41 14.161 -6.045 3.195 1.00 0.94 C ATOM 365 OG1 THR A 41 15.120 -5.230 2.510 1.00 1.32 O ATOM 366 CG2 THR A 41 14.859 -7.268 3.774 1.00 1.14 C ATOM 0 H THR A 41 13.057 -4.505 1.483 1.00 0.74 H new ATOM 0 HA THR A 41 13.319 -7.387 1.728 1.00 0.82 H new ATOM 0 HB THR A 41 13.715 -5.476 4.011 1.00 0.94 H new ATOM 0 HG1 THR A 41 15.831 -4.969 3.132 1.00 1.32 H new ATOM 0 HG21 THR A 41 15.651 -6.948 4.452 1.00 1.14 H new ATOM 0 HG22 THR A 41 14.137 -7.875 4.320 1.00 1.14 H new ATOM 0 HG23 THR A 41 15.290 -7.858 2.965 1.00 1.14 H new ATOM 374 N THR A 42 10.921 -5.645 3.105 1.00 0.71 N ATOM 375 CA THR A 42 9.659 -5.714 3.834 1.00 0.73 C ATOM 376 C THR A 42 8.531 -6.212 2.937 1.00 0.66 C ATOM 377 O THR A 42 8.551 -6.004 1.723 1.00 0.63 O ATOM 378 CB THR A 42 9.263 -4.339 4.410 1.00 0.84 C ATOM 379 OG1 THR A 42 9.235 -3.357 3.369 1.00 0.81 O ATOM 380 CG2 THR A 42 10.232 -3.900 5.496 1.00 1.32 C ATOM 0 H THR A 42 11.104 -4.742 2.668 1.00 0.71 H new ATOM 0 HA THR A 42 9.810 -6.416 4.654 1.00 0.73 H new ATOM 0 HB THR A 42 8.270 -4.434 4.849 1.00 0.84 H new ATOM 0 HG1 THR A 42 9.593 -3.745 2.543 1.00 0.81 H new ATOM 0 HG21 THR A 42 9.928 -2.928 5.884 1.00 1.32 H new ATOM 0 HG22 THR A 42 10.227 -4.631 6.305 1.00 1.32 H new ATOM 0 HG23 THR A 42 11.237 -3.827 5.079 1.00 1.32 H new ATOM 388 N HIS A 43 7.550 -6.874 3.544 1.00 0.70 N ATOM 389 CA HIS A 43 6.401 -7.391 2.807 1.00 0.71 C ATOM 390 C HIS A 43 5.410 -6.272 2.513 1.00 0.67 C ATOM 391 O HIS A 43 5.550 -5.157 3.023 1.00 0.67 O ATOM 392 CB HIS A 43 5.706 -8.503 3.601 1.00 0.82 C ATOM 393 CG HIS A 43 6.565 -9.708 3.839 1.00 0.84 C ATOM 394 ND1 HIS A 43 7.281 -9.922 4.995 1.00 0.93 N ATOM 395 CD2 HIS A 43 6.813 -10.777 3.041 1.00 0.97 C ATOM 396 CE1 HIS A 43 7.929 -11.088 4.867 1.00 0.94 C ATOM 397 NE2 HIS A 43 7.678 -11.647 3.699 1.00 0.94 N ATOM 0 H HIS A 43 7.528 -7.065 4.546 1.00 0.70 H new ATOM 0 HA HIS A 43 6.761 -7.804 1.864 1.00 0.71 H new ATOM 0 HB2 HIS A 43 5.384 -8.103 4.562 1.00 0.82 H new ATOM 0 HB3 HIS A 43 4.807 -8.810 3.067 1.00 0.82 H new ATOM 0 HD2 HIS A 43 6.404 -10.929 2.053 1.00 0.97 H new ATOM 0 HE1 HIS A 43 8.573 -11.514 5.622 1.00 0.94 H new ATOM 0 HE2 HIS A 43 8.042 -12.533 3.350 1.00 0.94 H new ATOM 405 N LEU A 44 4.404 -6.568 1.696 1.00 0.66 N ATOM 406 CA LEU A 44 3.391 -5.579 1.349 1.00 0.64 C ATOM 407 C LEU A 44 2.410 -5.376 2.494 1.00 0.63 C ATOM 408 O LEU A 44 1.615 -4.436 2.481 1.00 0.58 O ATOM 409 CB LEU A 44 2.639 -5.991 0.085 1.00 0.64 C ATOM 410 CG LEU A 44 3.460 -5.943 -1.203 1.00 0.69 C ATOM 411 CD1 LEU A 44 2.561 -6.155 -2.407 1.00 0.72 C ATOM 412 CD2 LEU A 44 4.204 -4.620 -1.317 1.00 0.68 C ATOM 0 H LEU A 44 4.269 -7.482 1.263 1.00 0.66 H new ATOM 0 HA LEU A 44 3.903 -4.635 1.160 1.00 0.64 H new ATOM 0 HB2 LEU A 44 2.262 -7.005 0.220 1.00 0.64 H new ATOM 0 HB3 LEU A 44 1.772 -5.341 -0.031 1.00 0.64 H new ATOM 0 HG LEU A 44 4.197 -6.746 -1.174 1.00 0.69 H new ATOM 0 HD11 LEU A 44 3.158 -6.118 -3.318 1.00 0.72 H new ATOM 0 HD12 LEU A 44 2.074 -7.127 -2.331 1.00 0.72 H new ATOM 0 HD13 LEU A 44 1.804 -5.372 -2.438 1.00 0.72 H new ATOM 0 HD21 LEU A 44 4.782 -4.606 -2.241 1.00 0.68 H new ATOM 0 HD22 LEU A 44 3.487 -3.799 -1.325 1.00 0.68 H new ATOM 0 HD23 LEU A 44 4.876 -4.506 -0.466 1.00 0.68 H new ATOM 424 N LYS A 45 2.467 -6.265 3.484 1.00 0.68 N ATOM 425 CA LYS A 45 1.594 -6.162 4.642 1.00 0.70 C ATOM 426 C LYS A 45 2.013 -4.978 5.507 1.00 0.69 C ATOM 427 O LYS A 45 1.188 -4.384 6.195 1.00 0.69 O ATOM 428 CB LYS A 45 1.621 -7.453 5.464 1.00 0.78 C ATOM 429 CG LYS A 45 0.544 -7.498 6.533 1.00 0.82 C ATOM 430 CD LYS A 45 0.636 -8.755 7.375 1.00 0.85 C ATOM 431 CE LYS A 45 -0.434 -8.770 8.452 1.00 0.90 C ATOM 432 NZ LYS A 45 -0.408 -10.026 9.248 1.00 0.93 N ATOM 0 H LYS A 45 3.107 -7.059 3.504 1.00 0.68 H new ATOM 0 HA LYS A 45 0.574 -6.005 4.291 1.00 0.70 H new ATOM 0 HB2 LYS A 45 1.498 -8.305 4.796 1.00 0.78 H new ATOM 0 HB3 LYS A 45 2.598 -7.556 5.936 1.00 0.78 H new ATOM 0 HG2 LYS A 45 0.634 -6.623 7.176 1.00 0.82 H new ATOM 0 HG3 LYS A 45 -0.438 -7.448 6.062 1.00 0.82 H new ATOM 0 HD2 LYS A 45 0.527 -9.632 6.737 1.00 0.85 H new ATOM 0 HD3 LYS A 45 1.622 -8.816 7.836 1.00 0.85 H new ATOM 0 HE2 LYS A 45 -0.292 -7.917 9.116 1.00 0.90 H new ATOM 0 HE3 LYS A 45 -1.414 -8.654 7.990 1.00 0.90 H new ATOM 0 HZ1 LYS A 45 -1.154 -9.994 9.971 1.00 0.93 H new ATOM 0 HZ2 LYS A 45 -0.570 -10.839 8.620 1.00 0.93 H new ATOM 0 HZ3 LYS A 45 0.518 -10.125 9.710 1.00 0.93 H new ATOM 446 N LYS A 46 3.303 -4.634 5.454 1.00 0.71 N ATOM 447 CA LYS A 46 3.828 -3.506 6.218 1.00 0.74 C ATOM 448 C LYS A 46 3.269 -2.200 5.670 1.00 0.64 C ATOM 449 O LYS A 46 3.013 -1.258 6.419 1.00 0.64 O ATOM 450 CB LYS A 46 5.357 -3.494 6.180 1.00 0.81 C ATOM 451 CG LYS A 46 5.995 -4.596 7.012 1.00 0.88 C ATOM 452 CD LYS A 46 5.682 -4.430 8.491 1.00 0.99 C ATOM 453 CE LYS A 46 6.294 -5.544 9.321 1.00 1.10 C ATOM 454 NZ LYS A 46 5.924 -5.428 10.758 1.00 1.27 N ATOM 0 H LYS A 46 3.999 -5.121 4.890 1.00 0.71 H new ATOM 0 HA LYS A 46 3.516 -3.612 7.257 1.00 0.74 H new ATOM 0 HB2 LYS A 46 5.687 -3.593 5.146 1.00 0.81 H new ATOM 0 HB3 LYS A 46 5.714 -2.528 6.537 1.00 0.81 H new ATOM 0 HG2 LYS A 46 5.635 -5.566 6.670 1.00 0.88 H new ATOM 0 HG3 LYS A 46 7.075 -4.586 6.864 1.00 0.88 H new ATOM 0 HD2 LYS A 46 6.060 -3.468 8.838 1.00 0.99 H new ATOM 0 HD3 LYS A 46 4.602 -4.419 8.636 1.00 0.99 H new ATOM 0 HE2 LYS A 46 5.962 -6.508 8.937 1.00 1.10 H new ATOM 0 HE3 LYS A 46 7.379 -5.518 9.222 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 6.360 -6.206 11.293 1.00 1.27 H new ATOM 0 HZ2 LYS A 46 6.263 -4.518 11.131 1.00 1.27 H new ATOM 0 HZ3 LYS A 46 4.890 -5.478 10.855 1.00 1.27 H new ATOM 468 N LEU A 47 3.088 -2.159 4.351 1.00 0.58 N ATOM 469 CA LEU A 47 2.520 -0.994 3.684 1.00 0.50 C ATOM 470 C LEU A 47 1.041 -0.877 4.043 1.00 0.45 C ATOM 471 O LEU A 47 0.509 0.221 4.207 1.00 0.42 O ATOM 472 CB LEU A 47 2.695 -1.124 2.163 1.00 0.50 C ATOM 473 CG LEU A 47 1.685 -0.350 1.308 1.00 0.49 C ATOM 474 CD1 LEU A 47 2.391 0.360 0.166 1.00 0.51 C ATOM 475 CD2 LEU A 47 0.614 -1.286 0.762 1.00 0.63 C ATOM 0 H LEU A 47 3.329 -2.925 3.722 1.00 0.58 H new ATOM 0 HA LEU A 47 3.039 -0.094 4.015 1.00 0.50 H new ATOM 0 HB2 LEU A 47 3.698 -0.787 1.901 1.00 0.50 H new ATOM 0 HB3 LEU A 47 2.634 -2.179 1.898 1.00 0.50 H new ATOM 0 HG LEU A 47 1.204 0.396 1.940 1.00 0.49 H new ATOM 0 HD11 LEU A 47 1.660 0.905 -0.431 1.00 0.51 H new ATOM 0 HD12 LEU A 47 3.123 1.059 0.570 1.00 0.51 H new ATOM 0 HD13 LEU A 47 2.897 -0.374 -0.461 1.00 0.51 H new ATOM 0 HD21 LEU A 47 -0.093 -0.717 0.158 1.00 0.63 H new ATOM 0 HD22 LEU A 47 1.082 -2.054 0.146 1.00 0.63 H new ATOM 0 HD23 LEU A 47 0.086 -1.757 1.591 1.00 0.63 H new ATOM 487 N LYS A 48 0.397 -2.035 4.167 1.00 0.46 N ATOM 488 CA LYS A 48 -1.017 -2.119 4.508 1.00 0.44 C ATOM 489 C LYS A 48 -1.262 -1.666 5.948 1.00 0.48 C ATOM 490 O LYS A 48 -2.235 -0.971 6.230 1.00 0.48 O ATOM 491 CB LYS A 48 -1.498 -3.558 4.314 1.00 0.48 C ATOM 492 CG LYS A 48 -3.004 -3.702 4.187 1.00 0.50 C ATOM 493 CD LYS A 48 -3.396 -5.153 3.947 1.00 0.59 C ATOM 494 CE LYS A 48 -4.900 -5.316 3.819 1.00 0.65 C ATOM 495 NZ LYS A 48 -5.292 -6.747 3.699 1.00 0.77 N ATOM 0 H LYS A 48 0.844 -2.942 4.033 1.00 0.46 H new ATOM 0 HA LYS A 48 -1.578 -1.455 3.851 1.00 0.44 H new ATOM 0 HB2 LYS A 48 -1.029 -3.968 3.420 1.00 0.48 H new ATOM 0 HB3 LYS A 48 -1.157 -4.159 5.157 1.00 0.48 H new ATOM 0 HG2 LYS A 48 -3.485 -3.337 5.094 1.00 0.50 H new ATOM 0 HG3 LYS A 48 -3.364 -3.084 3.365 1.00 0.50 H new ATOM 0 HD2 LYS A 48 -2.912 -5.515 3.040 1.00 0.59 H new ATOM 0 HD3 LYS A 48 -3.032 -5.769 4.770 1.00 0.59 H new ATOM 0 HE2 LYS A 48 -5.389 -4.877 4.689 1.00 0.65 H new ATOM 0 HE3 LYS A 48 -5.252 -4.768 2.945 1.00 0.65 H new ATOM 0 HZ1 LYS A 48 -6.326 -6.818 3.614 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.846 -7.160 2.855 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -4.978 -7.265 4.545 1.00 0.77 H new ATOM 509 N GLU A 49 -0.362 -2.062 6.852 1.00 0.55 N ATOM 510 CA GLU A 49 -0.470 -1.703 8.266 1.00 0.61 C ATOM 511 C GLU A 49 -0.218 -0.213 8.478 1.00 0.61 C ATOM 512 O GLU A 49 -0.908 0.436 9.265 1.00 0.63 O ATOM 513 CB GLU A 49 0.529 -2.512 9.100 1.00 0.71 C ATOM 514 CG GLU A 49 0.235 -4.004 9.144 1.00 0.76 C ATOM 515 CD GLU A 49 1.370 -4.804 9.756 1.00 0.85 C ATOM 516 OE1 GLU A 49 2.314 -5.160 9.018 1.00 0.89 O ATOM 517 OE2 GLU A 49 1.315 -5.077 10.973 1.00 0.95 O ATOM 0 H GLU A 49 0.452 -2.634 6.627 1.00 0.55 H new ATOM 0 HA GLU A 49 -1.485 -1.934 8.589 1.00 0.61 H new ATOM 0 HB2 GLU A 49 1.530 -2.361 8.696 1.00 0.71 H new ATOM 0 HB3 GLU A 49 0.535 -2.123 10.118 1.00 0.71 H new ATOM 0 HG2 GLU A 49 -0.676 -4.174 9.718 1.00 0.76 H new ATOM 0 HG3 GLU A 49 0.046 -4.363 8.132 1.00 0.76 H new ATOM 524 N SER A 50 0.773 0.319 7.767 1.00 0.60 N ATOM 525 CA SER A 50 1.135 1.728 7.873 1.00 0.62 C ATOM 526 C SER A 50 0.050 2.635 7.293 1.00 0.54 C ATOM 527 O SER A 50 -0.203 3.721 7.812 1.00 0.56 O ATOM 528 CB SER A 50 2.464 1.980 7.164 1.00 0.67 C ATOM 529 OG SER A 50 3.530 1.325 7.830 1.00 1.22 O ATOM 0 H SER A 50 1.343 -0.210 7.107 1.00 0.60 H new ATOM 0 HA SER A 50 1.236 1.968 8.931 1.00 0.62 H new ATOM 0 HB2 SER A 50 2.403 1.627 6.134 1.00 0.67 H new ATOM 0 HB3 SER A 50 2.660 3.051 7.123 1.00 0.67 H new ATOM 0 HG SER A 50 3.582 0.394 7.528 1.00 1.22 H new ATOM 535 N TYR A 51 -0.579 2.191 6.209 1.00 0.47 N ATOM 536 CA TYR A 51 -1.640 2.961 5.566 1.00 0.41 C ATOM 537 C TYR A 51 -2.906 2.983 6.420 1.00 0.43 C ATOM 538 O TYR A 51 -3.601 3.995 6.484 1.00 0.44 O ATOM 539 CB TYR A 51 -1.948 2.388 4.181 1.00 0.38 C ATOM 540 CG TYR A 51 -2.971 3.186 3.401 1.00 0.38 C ATOM 541 CD1 TYR A 51 -2.745 4.518 3.075 1.00 0.42 C ATOM 542 CD2 TYR A 51 -4.164 2.605 2.991 1.00 0.45 C ATOM 543 CE1 TYR A 51 -3.679 5.247 2.365 1.00 0.46 C ATOM 544 CE2 TYR A 51 -5.102 3.328 2.279 1.00 0.50 C ATOM 545 CZ TYR A 51 -4.855 4.648 1.970 1.00 0.47 C ATOM 546 OH TYR A 51 -5.787 5.372 1.262 1.00 0.55 O ATOM 0 H TYR A 51 -0.372 1.301 5.756 1.00 0.47 H new ATOM 0 HA TYR A 51 -1.289 3.987 5.457 1.00 0.41 H new ATOM 0 HB2 TYR A 51 -1.024 2.339 3.605 1.00 0.38 H new ATOM 0 HB3 TYR A 51 -2.308 1.365 4.293 1.00 0.38 H new ATOM 0 HD1 TYR A 51 -1.824 4.991 3.382 1.00 0.42 H new ATOM 0 HD2 TYR A 51 -4.362 1.571 3.233 1.00 0.45 H new ATOM 0 HE1 TYR A 51 -3.488 6.282 2.121 1.00 0.46 H new ATOM 0 HE2 TYR A 51 -6.024 2.861 1.966 1.00 0.50 H new ATOM 0 HH TYR A 51 -6.559 4.803 1.060 1.00 0.55 H new ATOM 556 N CYS A 52 -3.197 1.861 7.076 1.00 0.45 N ATOM 557 CA CYS A 52 -4.388 1.738 7.914 1.00 0.49 C ATOM 558 C CYS A 52 -4.319 2.623 9.160 1.00 0.56 C ATOM 559 O CYS A 52 -5.329 3.187 9.575 1.00 0.60 O ATOM 560 CB CYS A 52 -4.599 0.279 8.322 1.00 0.53 C ATOM 561 SG CYS A 52 -5.254 -0.768 7.001 1.00 0.50 S ATOM 0 H CYS A 52 -2.621 1.020 7.043 1.00 0.45 H new ATOM 0 HA CYS A 52 -5.235 2.079 7.319 1.00 0.49 H new ATOM 0 HB2 CYS A 52 -3.649 -0.134 8.661 1.00 0.53 H new ATOM 0 HB3 CYS A 52 -5.282 0.245 9.171 1.00 0.53 H new ATOM 0 HG CYS A 52 -4.275 -1.192 6.258 1.00 0.50 H new ATOM 567 N GLN A 53 -3.134 2.738 9.759 1.00 0.58 N ATOM 568 CA GLN A 53 -2.965 3.560 10.958 1.00 0.67 C ATOM 569 C GLN A 53 -2.892 5.049 10.611 1.00 0.67 C ATOM 570 O GLN A 53 -3.276 5.899 11.415 1.00 0.74 O ATOM 571 CB GLN A 53 -1.721 3.127 11.752 1.00 0.72 C ATOM 572 CG GLN A 53 -0.412 3.221 10.982 1.00 0.73 C ATOM 573 CD GLN A 53 0.347 4.507 11.259 1.00 0.77 C ATOM 574 OE1 GLN A 53 0.264 5.071 12.350 1.00 0.81 O ATOM 575 NE2 GLN A 53 1.091 4.979 10.266 1.00 0.82 N ATOM 0 H GLN A 53 -2.283 2.277 9.437 1.00 0.58 H new ATOM 0 HA GLN A 53 -3.843 3.406 11.586 1.00 0.67 H new ATOM 0 HB2 GLN A 53 -1.645 3.744 12.648 1.00 0.72 H new ATOM 0 HB3 GLN A 53 -1.859 2.098 12.084 1.00 0.72 H new ATOM 0 HG2 GLN A 53 0.218 2.370 11.242 1.00 0.73 H new ATOM 0 HG3 GLN A 53 -0.619 3.150 9.914 1.00 0.73 H new ATOM 0 HE21 GLN A 53 1.132 4.480 9.377 1.00 0.82 H new ATOM 0 HE22 GLN A 53 1.622 5.841 10.392 1.00 0.82 H new ATOM 584 N ARG A 54 -2.401 5.357 9.413 1.00 0.62 N ATOM 585 CA ARG A 54 -2.267 6.741 8.963 1.00 0.64 C ATOM 586 C ARG A 54 -3.565 7.254 8.331 1.00 0.64 C ATOM 587 O ARG A 54 -3.698 8.445 8.045 1.00 0.75 O ATOM 588 CB ARG A 54 -1.115 6.844 7.953 1.00 0.61 C ATOM 589 CG ARG A 54 -0.658 8.267 7.661 1.00 0.70 C ATOM 590 CD ARG A 54 0.075 8.879 8.845 1.00 0.87 C ATOM 591 NE ARG A 54 1.303 8.154 9.168 1.00 0.98 N ATOM 592 CZ ARG A 54 2.211 8.588 10.040 1.00 1.21 C ATOM 593 NH1 ARG A 54 2.043 9.750 10.659 1.00 1.36 N ATOM 594 NH2 ARG A 54 3.292 7.861 10.287 1.00 1.36 N ATOM 0 H ARG A 54 -2.088 4.664 8.733 1.00 0.62 H new ATOM 0 HA ARG A 54 -2.052 7.363 9.832 1.00 0.64 H new ATOM 0 HB2 ARG A 54 -0.266 6.273 8.329 1.00 0.61 H new ATOM 0 HB3 ARG A 54 -1.425 6.376 7.019 1.00 0.61 H new ATOM 0 HG2 ARG A 54 -0.004 8.267 6.789 1.00 0.70 H new ATOM 0 HG3 ARG A 54 -1.522 8.882 7.411 1.00 0.70 H new ATOM 0 HD2 ARG A 54 0.316 9.919 8.623 1.00 0.87 H new ATOM 0 HD3 ARG A 54 -0.582 8.883 9.715 1.00 0.87 H new ATOM 0 HE ARG A 54 1.474 7.265 8.698 1.00 0.98 H new ATOM 0 HH11 ARG A 54 1.216 10.315 10.468 1.00 1.36 H new ATOM 0 HH12 ARG A 54 2.741 10.078 11.326 1.00 1.36 H new ATOM 0 HH21 ARG A 54 3.428 6.970 9.809 1.00 1.36 H new ATOM 0 HH22 ARG A 54 3.988 8.193 10.955 1.00 1.36 H new ATOM 608 N GLN A 55 -4.527 6.358 8.131 1.00 0.59 N ATOM 609 CA GLN A 55 -5.795 6.731 7.515 1.00 0.62 C ATOM 610 C GLN A 55 -6.986 6.463 8.437 1.00 0.68 C ATOM 611 O GLN A 55 -8.085 6.961 8.188 1.00 0.71 O ATOM 612 CB GLN A 55 -5.975 5.962 6.200 1.00 0.57 C ATOM 613 CG GLN A 55 -7.005 6.562 5.256 1.00 0.63 C ATOM 614 CD GLN A 55 -6.556 7.883 4.659 1.00 0.64 C ATOM 615 OE1 GLN A 55 -5.894 7.915 3.622 1.00 0.60 O ATOM 616 NE2 GLN A 55 -6.922 8.981 5.309 1.00 0.76 N ATOM 0 H GLN A 55 -4.453 5.373 8.385 1.00 0.59 H new ATOM 0 HA GLN A 55 -5.765 7.803 7.322 1.00 0.62 H new ATOM 0 HB2 GLN A 55 -5.014 5.914 5.687 1.00 0.57 H new ATOM 0 HB3 GLN A 55 -6.265 4.937 6.430 1.00 0.57 H new ATOM 0 HG2 GLN A 55 -7.209 5.855 4.451 1.00 0.63 H new ATOM 0 HG3 GLN A 55 -7.941 6.711 5.794 1.00 0.63 H new ATOM 0 HE21 GLN A 55 -7.471 8.908 6.166 1.00 0.76 H new ATOM 0 HE22 GLN A 55 -6.654 9.898 4.952 1.00 0.76 H new ATOM 625 N GLY A 56 -6.773 5.696 9.512 1.00 0.71 N ATOM 626 CA GLY A 56 -7.877 5.376 10.403 1.00 0.78 C ATOM 627 C GLY A 56 -8.940 4.494 9.778 1.00 0.77 C ATOM 628 O GLY A 56 -10.110 4.862 9.744 1.00 0.82 O ATOM 0 H GLY A 56 -5.871 5.299 9.776 1.00 0.71 H new ATOM 0 HA2 GLY A 56 -7.482 4.879 11.289 1.00 0.78 H new ATOM 0 HA3 GLY A 56 -8.341 6.304 10.738 1.00 0.78 H new ATOM 632 N VAL A 57 -8.540 3.323 9.299 1.00 0.73 N ATOM 633 CA VAL A 57 -9.464 2.396 8.653 1.00 0.74 C ATOM 634 C VAL A 57 -9.022 0.952 8.880 1.00 0.73 C ATOM 635 O VAL A 57 -7.907 0.585 8.524 1.00 0.68 O ATOM 636 CB VAL A 57 -9.509 2.650 7.135 1.00 0.68 C ATOM 637 CG1 VAL A 57 -10.372 1.613 6.456 1.00 0.71 C ATOM 638 CG2 VAL A 57 -10.035 4.045 6.857 1.00 0.71 C ATOM 0 H VAL A 57 -7.577 2.990 9.346 1.00 0.73 H new ATOM 0 HA VAL A 57 -10.450 2.557 9.089 1.00 0.74 H new ATOM 0 HB VAL A 57 -8.499 2.572 6.734 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -10.395 1.805 5.383 1.00 0.71 H new ATOM 0 HG12 VAL A 57 -9.960 0.621 6.639 1.00 0.71 H new ATOM 0 HG13 VAL A 57 -11.385 1.664 6.855 1.00 0.71 H new ATOM 0 HG21 VAL A 57 -10.063 4.215 5.781 1.00 0.71 H new ATOM 0 HG22 VAL A 57 -11.040 4.143 7.266 1.00 0.71 H new ATOM 0 HG23 VAL A 57 -9.380 4.781 7.324 1.00 0.71 H new ATOM 648 N PRO A 58 -9.899 0.110 9.448 1.00 0.80 N ATOM 649 CA PRO A 58 -9.567 -1.297 9.708 1.00 0.82 C ATOM 650 C PRO A 58 -8.930 -2.043 8.533 1.00 0.76 C ATOM 651 O PRO A 58 -9.349 -1.897 7.386 1.00 0.73 O ATOM 652 CB PRO A 58 -10.908 -1.898 10.135 1.00 0.91 C ATOM 653 CG PRO A 58 -11.912 -1.012 9.474 1.00 0.90 C ATOM 654 CD PRO A 58 -11.326 0.352 9.704 1.00 0.87 C ATOM 0 HA PRO A 58 -8.787 -1.385 10.464 1.00 0.82 H new ATOM 0 HB2 PRO A 58 -11.007 -2.933 9.806 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -11.022 -1.896 11.219 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -12.018 -1.237 8.413 1.00 0.90 H new ATOM 0 HG3 PRO A 58 -12.901 -1.112 9.921 1.00 0.90 H new ATOM 0 HD2 PRO A 58 -11.743 1.096 9.026 1.00 0.87 H new ATOM 0 HD3 PRO A 58 -11.505 0.709 10.718 1.00 0.87 H new ATOM 662 N MET A 59 -7.914 -2.844 8.849 1.00 0.76 N ATOM 663 CA MET A 59 -7.165 -3.630 7.867 1.00 0.72 C ATOM 664 C MET A 59 -8.037 -4.249 6.771 1.00 0.73 C ATOM 665 O MET A 59 -7.608 -4.385 5.618 1.00 0.69 O ATOM 666 CB MET A 59 -6.402 -4.744 8.593 1.00 0.77 C ATOM 667 CG MET A 59 -5.348 -5.465 7.757 1.00 0.74 C ATOM 668 SD MET A 59 -3.888 -4.443 7.466 1.00 0.66 S ATOM 669 CE MET A 59 -3.486 -3.959 9.165 1.00 0.73 C ATOM 0 H MET A 59 -7.583 -2.968 9.806 1.00 0.76 H new ATOM 0 HA MET A 59 -6.486 -2.939 7.368 1.00 0.72 H new ATOM 0 HB2 MET A 59 -5.916 -4.317 9.470 1.00 0.77 H new ATOM 0 HB3 MET A 59 -7.121 -5.479 8.953 1.00 0.77 H new ATOM 0 HG2 MET A 59 -5.051 -6.383 8.264 1.00 0.74 H new ATOM 0 HG3 MET A 59 -5.782 -5.755 6.800 1.00 0.74 H new ATOM 0 HE1 MET A 59 -2.441 -3.654 9.219 1.00 0.73 H new ATOM 0 HE2 MET A 59 -4.123 -3.127 9.467 1.00 0.73 H new ATOM 0 HE3 MET A 59 -3.652 -4.804 9.833 1.00 0.73 H new ATOM 679 N ASN A 60 -9.257 -4.629 7.137 1.00 0.80 N ATOM 680 CA ASN A 60 -10.189 -5.253 6.204 1.00 0.84 C ATOM 681 C ASN A 60 -10.909 -4.247 5.321 1.00 0.82 C ATOM 682 O ASN A 60 -10.855 -4.330 4.097 1.00 0.80 O ATOM 683 CB ASN A 60 -11.229 -6.075 6.970 1.00 0.93 C ATOM 684 CG ASN A 60 -12.069 -5.225 7.911 1.00 0.96 C ATOM 685 OD1 ASN A 60 -11.560 -4.661 8.880 1.00 0.95 O ATOM 686 ND2 ASN A 60 -13.364 -5.125 7.623 1.00 1.01 N ATOM 0 H ASN A 60 -9.626 -4.514 8.081 1.00 0.80 H new ATOM 0 HA ASN A 60 -9.592 -5.894 5.555 1.00 0.84 H new ATOM 0 HB2 ASN A 60 -11.884 -6.579 6.259 1.00 0.93 H new ATOM 0 HB3 ASN A 60 -10.723 -6.852 7.543 1.00 0.93 H new ATOM 0 HD21 ASN A 60 -13.976 -4.564 8.215 1.00 1.01 H new ATOM 0 HD22 ASN A 60 -13.744 -5.609 6.810 1.00 1.01 H new ATOM 693 N SER A 61 -11.590 -3.303 5.963 1.00 0.84 N ATOM 694 CA SER A 61 -12.359 -2.267 5.290 1.00 0.84 C ATOM 695 C SER A 61 -11.966 -2.006 3.837 1.00 0.80 C ATOM 696 O SER A 61 -12.835 -1.839 2.987 1.00 0.85 O ATOM 697 CB SER A 61 -12.277 -0.963 6.093 1.00 0.83 C ATOM 698 OG SER A 61 -13.139 0.040 5.573 1.00 0.85 O ATOM 0 H SER A 61 -11.622 -3.237 6.980 1.00 0.84 H new ATOM 0 HA SER A 61 -13.381 -2.644 5.247 1.00 0.84 H new ATOM 0 HB2 SER A 61 -12.538 -1.161 7.133 1.00 0.83 H new ATOM 0 HB3 SER A 61 -11.250 -0.597 6.086 1.00 0.83 H new ATOM 0 HG SER A 61 -13.307 0.716 6.262 1.00 0.85 H new ATOM 704 N LEU A 62 -10.672 -1.978 3.541 1.00 0.73 N ATOM 705 CA LEU A 62 -10.232 -1.707 2.176 1.00 0.70 C ATOM 706 C LEU A 62 -9.862 -2.954 1.373 1.00 0.72 C ATOM 707 O LEU A 62 -10.263 -4.068 1.702 1.00 0.77 O ATOM 708 CB LEU A 62 -9.031 -0.763 2.196 1.00 0.62 C ATOM 709 CG LEU A 62 -9.079 0.410 3.174 1.00 0.61 C ATOM 710 CD1 LEU A 62 -7.817 1.231 3.004 1.00 0.53 C ATOM 711 CD2 LEU A 62 -10.317 1.259 2.929 1.00 0.67 C ATOM 0 H LEU A 62 -9.921 -2.136 4.213 1.00 0.73 H new ATOM 0 HA LEU A 62 -11.089 -1.255 1.677 1.00 0.70 H new ATOM 0 HB2 LEU A 62 -8.142 -1.353 2.420 1.00 0.62 H new ATOM 0 HB3 LEU A 62 -8.902 -0.360 1.192 1.00 0.62 H new ATOM 0 HG LEU A 62 -9.135 0.038 4.197 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -7.835 2.073 3.695 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -6.947 0.608 3.213 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -7.760 1.603 1.981 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -10.334 2.089 3.635 1.00 0.67 H new ATOM 0 HD22 LEU A 62 -10.296 1.648 1.911 1.00 0.67 H new ATOM 0 HD23 LEU A 62 -11.210 0.649 3.065 1.00 0.67 H new ATOM 723 N ARG A 63 -9.099 -2.732 0.306 1.00 0.69 N ATOM 724 CA ARG A 63 -8.616 -3.783 -0.589 1.00 0.72 C ATOM 725 C ARG A 63 -7.613 -3.116 -1.527 1.00 0.69 C ATOM 726 O ARG A 63 -7.893 -2.040 -2.062 1.00 0.70 O ATOM 727 CB ARG A 63 -9.764 -4.383 -1.404 1.00 0.82 C ATOM 728 CG ARG A 63 -9.305 -5.361 -2.475 1.00 0.86 C ATOM 729 CD ARG A 63 -10.419 -5.696 -3.465 1.00 0.95 C ATOM 730 NE ARG A 63 -11.401 -6.643 -2.936 1.00 1.01 N ATOM 731 CZ ARG A 63 -12.452 -7.084 -3.625 1.00 1.10 C ATOM 732 NH1 ARG A 63 -12.659 -6.658 -4.866 1.00 1.14 N ATOM 733 NH2 ARG A 63 -13.290 -7.957 -3.082 1.00 1.14 N ATOM 0 H ARG A 63 -8.792 -1.798 0.033 1.00 0.69 H new ATOM 0 HA ARG A 63 -8.165 -4.596 -0.019 1.00 0.72 H new ATOM 0 HB2 ARG A 63 -10.450 -4.893 -0.728 1.00 0.82 H new ATOM 0 HB3 ARG A 63 -10.323 -3.576 -1.877 1.00 0.82 H new ATOM 0 HG2 ARG A 63 -8.458 -4.936 -3.014 1.00 0.86 H new ATOM 0 HG3 ARG A 63 -8.954 -6.278 -2.001 1.00 0.86 H new ATOM 0 HD2 ARG A 63 -10.930 -4.776 -3.751 1.00 0.95 H new ATOM 0 HD3 ARG A 63 -9.977 -6.110 -4.371 1.00 0.95 H new ATOM 0 HE ARG A 63 -11.273 -6.985 -1.984 1.00 1.01 H new ATOM 0 HH11 ARG A 63 -12.013 -5.993 -5.291 1.00 1.14 H new ATOM 0 HH12 ARG A 63 -13.464 -6.996 -5.394 1.00 1.14 H new ATOM 0 HH21 ARG A 63 -13.131 -8.294 -2.132 1.00 1.14 H new ATOM 0 HH22 ARG A 63 -14.093 -8.292 -3.614 1.00 1.14 H new ATOM 747 N PHE A 64 -6.456 -3.740 -1.725 1.00 0.66 N ATOM 748 CA PHE A 64 -5.420 -3.168 -2.585 1.00 0.64 C ATOM 749 C PHE A 64 -5.200 -4.007 -3.836 1.00 0.72 C ATOM 750 O PHE A 64 -5.242 -5.235 -3.778 1.00 0.75 O ATOM 751 CB PHE A 64 -4.108 -3.042 -1.806 1.00 0.56 C ATOM 752 CG PHE A 64 -4.250 -2.332 -0.490 1.00 0.50 C ATOM 753 CD1 PHE A 64 -4.989 -2.895 0.548 1.00 0.51 C ATOM 754 CD2 PHE A 64 -3.669 -1.087 -0.291 1.00 0.44 C ATOM 755 CE1 PHE A 64 -5.151 -2.230 1.762 1.00 0.48 C ATOM 756 CE2 PHE A 64 -3.824 -0.413 0.918 1.00 0.40 C ATOM 757 CZ PHE A 64 -4.569 -0.988 1.947 1.00 0.42 C ATOM 0 H PHE A 64 -6.211 -4.637 -1.305 1.00 0.66 H new ATOM 0 HA PHE A 64 -5.757 -2.181 -2.901 1.00 0.64 H new ATOM 0 HB2 PHE A 64 -3.704 -4.039 -1.629 1.00 0.56 H new ATOM 0 HB3 PHE A 64 -3.382 -2.509 -2.419 1.00 0.56 H new ATOM 0 HD1 PHE A 64 -5.445 -3.864 0.409 1.00 0.51 H new ATOM 0 HD2 PHE A 64 -3.090 -0.636 -1.083 1.00 0.44 H new ATOM 0 HE1 PHE A 64 -5.728 -2.682 2.555 1.00 0.48 H new ATOM 0 HE2 PHE A 64 -3.367 0.555 1.059 1.00 0.40 H new ATOM 0 HZ PHE A 64 -4.691 -0.466 2.885 1.00 0.42 H new ATOM 767 N LEU A 65 -4.955 -3.344 -4.962 1.00 0.75 N ATOM 768 CA LEU A 65 -4.751 -4.046 -6.225 1.00 0.83 C ATOM 769 C LEU A 65 -3.499 -3.611 -6.984 1.00 0.84 C ATOM 770 O LEU A 65 -2.954 -2.529 -6.751 1.00 0.80 O ATOM 771 CB LEU A 65 -5.961 -3.840 -7.137 1.00 0.92 C ATOM 772 CG LEU A 65 -7.359 -4.029 -6.549 1.00 0.93 C ATOM 773 CD1 LEU A 65 -8.386 -3.744 -7.632 1.00 1.03 C ATOM 774 CD2 LEU A 65 -7.523 -5.442 -6.006 1.00 0.94 C ATOM 0 H LEU A 65 -4.893 -2.328 -5.026 1.00 0.75 H new ATOM 0 HA LEU A 65 -4.621 -5.095 -5.960 1.00 0.83 H new ATOM 0 HB2 LEU A 65 -5.905 -2.828 -7.539 1.00 0.92 H new ATOM 0 HB3 LEU A 65 -5.861 -4.524 -7.980 1.00 0.92 H new ATOM 0 HG LEU A 65 -7.506 -3.338 -5.719 1.00 0.93 H new ATOM 0 HD11 LEU A 65 -9.389 -3.875 -7.226 1.00 1.03 H new ATOM 0 HD12 LEU A 65 -8.268 -2.719 -7.984 1.00 1.03 H new ATOM 0 HD13 LEU A 65 -8.238 -4.433 -8.464 1.00 1.03 H new ATOM 0 HD21 LEU A 65 -8.524 -5.558 -5.591 1.00 0.94 H new ATOM 0 HD22 LEU A 65 -7.378 -6.161 -6.813 1.00 0.94 H new ATOM 0 HD23 LEU A 65 -6.784 -5.620 -5.225 1.00 0.94 H new ATOM 786 N PHE A 66 -3.062 -4.472 -7.898 1.00 0.91 N ATOM 787 CA PHE A 66 -1.898 -4.210 -8.739 1.00 0.94 C ATOM 788 C PHE A 66 -2.090 -4.952 -10.062 1.00 1.04 C ATOM 789 O PHE A 66 -2.631 -6.060 -10.084 1.00 1.07 O ATOM 790 CB PHE A 66 -0.618 -4.683 -8.051 1.00 0.89 C ATOM 791 CG PHE A 66 0.618 -4.454 -8.868 1.00 0.93 C ATOM 792 CD1 PHE A 66 0.936 -3.182 -9.325 1.00 0.94 C ATOM 793 CD2 PHE A 66 1.457 -5.512 -9.200 1.00 0.97 C ATOM 794 CE1 PHE A 66 2.069 -2.965 -10.108 1.00 0.99 C ATOM 795 CE2 PHE A 66 2.594 -5.308 -9.983 1.00 1.02 C ATOM 796 CZ PHE A 66 2.898 -4.031 -10.436 1.00 1.03 C ATOM 0 H PHE A 66 -3.506 -5.373 -8.077 1.00 0.91 H new ATOM 0 HA PHE A 66 -1.804 -3.139 -8.916 1.00 0.94 H new ATOM 0 HB2 PHE A 66 -0.515 -4.166 -7.097 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -0.706 -5.747 -7.829 1.00 0.89 H new ATOM 0 HD1 PHE A 66 0.297 -2.349 -9.070 1.00 0.94 H new ATOM 0 HD2 PHE A 66 1.225 -6.506 -8.847 1.00 0.97 H new ATOM 0 HE1 PHE A 66 2.302 -1.971 -10.459 1.00 0.99 H new ATOM 0 HE2 PHE A 66 3.235 -6.140 -10.236 1.00 1.02 H new ATOM 0 HZ PHE A 66 3.777 -3.867 -11.042 1.00 1.03 H new ATOM 806 N GLU A 67 -1.650 -4.343 -11.160 1.00 1.10 N ATOM 807 CA GLU A 67 -1.805 -4.947 -12.481 1.00 1.20 C ATOM 808 C GLU A 67 -3.251 -5.409 -12.635 1.00 1.24 C ATOM 809 O GLU A 67 -3.537 -6.383 -13.334 1.00 1.30 O ATOM 810 CB GLU A 67 -0.865 -6.145 -12.650 1.00 1.22 C ATOM 811 CG GLU A 67 0.610 -5.796 -12.818 1.00 1.21 C ATOM 812 CD GLU A 67 1.487 -7.032 -13.022 1.00 1.25 C ATOM 813 OE1 GLU A 67 1.526 -7.896 -12.117 1.00 1.21 O ATOM 814 OE2 GLU A 67 2.138 -7.140 -14.086 1.00 1.32 O ATOM 0 H GLU A 67 -1.185 -3.435 -11.162 1.00 1.10 H new ATOM 0 HA GLU A 67 -1.554 -4.209 -13.243 1.00 1.20 H new ATOM 0 HB2 GLU A 67 -0.971 -6.795 -11.781 1.00 1.22 H new ATOM 0 HB3 GLU A 67 -1.187 -6.719 -13.519 1.00 1.22 H new ATOM 0 HG2 GLU A 67 0.727 -5.128 -13.671 1.00 1.21 H new ATOM 0 HG3 GLU A 67 0.954 -5.252 -11.938 1.00 1.21 H new ATOM 821 N GLY A 68 -4.159 -4.706 -11.970 1.00 1.20 N ATOM 822 CA GLY A 68 -5.558 -5.068 -12.042 1.00 1.24 C ATOM 823 C GLY A 68 -5.920 -6.129 -11.021 1.00 1.20 C ATOM 824 O GLY A 68 -6.936 -6.012 -10.336 1.00 1.18 O ATOM 0 H GLY A 68 -3.952 -3.896 -11.386 1.00 1.20 H new ATOM 0 HA2 GLY A 68 -6.171 -4.182 -11.878 1.00 1.24 H new ATOM 0 HA3 GLY A 68 -5.787 -5.434 -13.043 1.00 1.24 H new ATOM 828 N GLN A 69 -5.090 -7.164 -10.906 1.00 1.20 N ATOM 829 CA GLN A 69 -5.361 -8.242 -9.960 1.00 1.17 C ATOM 830 C GLN A 69 -5.037 -7.906 -8.507 1.00 1.07 C ATOM 831 O GLN A 69 -4.120 -7.132 -8.217 1.00 1.01 O ATOM 832 CB GLN A 69 -4.631 -9.521 -10.383 1.00 1.22 C ATOM 833 CG GLN A 69 -5.191 -10.139 -11.658 1.00 1.32 C ATOM 834 CD GLN A 69 -4.751 -11.578 -11.868 1.00 1.37 C ATOM 835 OE1 GLN A 69 -3.559 -11.870 -11.948 1.00 1.36 O ATOM 836 NE2 GLN A 69 -5.720 -12.483 -11.961 1.00 1.43 N ATOM 0 H GLN A 69 -4.234 -7.278 -11.449 1.00 1.20 H new ATOM 0 HA GLN A 69 -6.440 -8.395 -9.994 1.00 1.17 H new ATOM 0 HB2 GLN A 69 -3.574 -9.297 -10.529 1.00 1.22 H new ATOM 0 HB3 GLN A 69 -4.693 -10.251 -9.576 1.00 1.22 H new ATOM 0 HG2 GLN A 69 -6.280 -10.100 -11.625 1.00 1.32 H new ATOM 0 HG3 GLN A 69 -4.876 -9.541 -12.513 1.00 1.32 H new ATOM 0 HE21 GLN A 69 -6.696 -12.195 -11.889 1.00 1.43 H new ATOM 0 HE22 GLN A 69 -5.488 -13.466 -12.105 1.00 1.43 H new ATOM 845 N ARG A 70 -5.806 -8.505 -7.604 1.00 1.06 N ATOM 846 CA ARG A 70 -5.667 -8.296 -6.169 1.00 0.98 C ATOM 847 C ARG A 70 -4.250 -8.514 -5.650 1.00 0.93 C ATOM 848 O ARG A 70 -3.390 -9.039 -6.357 1.00 0.97 O ATOM 849 CB ARG A 70 -6.639 -9.213 -5.430 1.00 1.01 C ATOM 850 CG ARG A 70 -6.799 -8.903 -3.964 1.00 0.94 C ATOM 851 CD ARG A 70 -8.087 -9.495 -3.443 1.00 0.99 C ATOM 852 NE ARG A 70 -8.428 -8.969 -2.125 1.00 0.94 N ATOM 853 CZ ARG A 70 -9.617 -9.110 -1.549 1.00 0.98 C ATOM 854 NH1 ARG A 70 -10.584 -9.766 -2.178 1.00 1.06 N ATOM 855 NH2 ARG A 70 -9.842 -8.593 -0.347 1.00 0.94 N ATOM 0 H ARG A 70 -6.551 -9.156 -7.852 1.00 1.06 H new ATOM 0 HA ARG A 70 -5.900 -7.248 -5.979 1.00 0.98 H new ATOM 0 HB2 ARG A 70 -7.615 -9.149 -5.910 1.00 1.01 H new ATOM 0 HB3 ARG A 70 -6.298 -10.243 -5.536 1.00 1.01 H new ATOM 0 HG2 ARG A 70 -5.954 -9.305 -3.406 1.00 0.94 H new ATOM 0 HG3 ARG A 70 -6.798 -7.824 -3.811 1.00 0.94 H new ATOM 0 HD2 ARG A 70 -8.896 -9.279 -4.141 1.00 0.99 H new ATOM 0 HD3 ARG A 70 -7.993 -10.580 -3.389 1.00 0.99 H new ATOM 0 HE ARG A 70 -7.707 -8.460 -1.613 1.00 0.94 H new ATOM 0 HH11 ARG A 70 -10.414 -10.161 -3.103 1.00 1.06 H new ATOM 0 HH12 ARG A 70 -11.497 -9.875 -1.737 1.00 1.06 H new ATOM 0 HH21 ARG A 70 -9.101 -8.086 0.137 1.00 0.94 H new ATOM 0 HH22 ARG A 70 -10.756 -8.703 0.093 1.00 0.94 H new ATOM 869 N ILE A 71 -4.014 -8.099 -4.410 1.00 0.85 N ATOM 870 CA ILE A 71 -2.703 -8.238 -3.784 1.00 0.81 C ATOM 871 C ILE A 71 -2.731 -9.138 -2.553 1.00 0.81 C ATOM 872 O ILE A 71 -3.507 -8.918 -1.618 1.00 0.79 O ATOM 873 CB ILE A 71 -2.125 -6.863 -3.377 1.00 0.73 C ATOM 874 CG1 ILE A 71 -1.725 -6.082 -4.629 1.00 0.75 C ATOM 875 CG2 ILE A 71 -0.931 -7.050 -2.454 1.00 0.69 C ATOM 876 CD1 ILE A 71 -1.135 -4.715 -4.342 1.00 0.68 C ATOM 0 H ILE A 71 -4.718 -7.661 -3.815 1.00 0.85 H new ATOM 0 HA ILE A 71 -2.066 -8.701 -4.537 1.00 0.81 H new ATOM 0 HB ILE A 71 -2.886 -6.296 -2.840 1.00 0.73 H new ATOM 0 HG12 ILE A 71 -1.000 -6.668 -5.194 1.00 0.75 H new ATOM 0 HG13 ILE A 71 -2.602 -5.961 -5.265 1.00 0.75 H new ATOM 0 HG21 ILE A 71 -0.532 -6.075 -2.174 1.00 0.69 H new ATOM 0 HG22 ILE A 71 -1.244 -7.585 -1.558 1.00 0.69 H new ATOM 0 HG23 ILE A 71 -0.160 -7.624 -2.968 1.00 0.69 H new ATOM 0 HD11 ILE A 71 -0.877 -4.225 -5.281 1.00 0.68 H new ATOM 0 HD12 ILE A 71 -1.865 -4.109 -3.805 1.00 0.68 H new ATOM 0 HD13 ILE A 71 -0.238 -4.826 -3.733 1.00 0.68 H new ATOM 888 N ALA A 72 -1.864 -10.150 -2.570 1.00 0.85 N ATOM 889 CA ALA A 72 -1.749 -11.105 -1.475 1.00 0.88 C ATOM 890 C ALA A 72 -1.233 -10.398 -0.237 1.00 0.82 C ATOM 891 O ALA A 72 -0.515 -9.404 -0.331 1.00 0.77 O ATOM 892 CB ALA A 72 -0.805 -12.247 -1.860 1.00 0.95 C ATOM 0 H ALA A 72 -1.224 -10.328 -3.344 1.00 0.85 H new ATOM 0 HA ALA A 72 -2.733 -11.526 -1.266 1.00 0.88 H new ATOM 0 HB1 ALA A 72 -0.730 -12.952 -1.032 1.00 0.95 H new ATOM 0 HB2 ALA A 72 -1.195 -12.760 -2.739 1.00 0.95 H new ATOM 0 HB3 ALA A 72 0.182 -11.843 -2.084 1.00 0.95 H new ATOM 898 N ASP A 73 -1.598 -10.924 0.924 1.00 0.85 N ATOM 899 CA ASP A 73 -1.181 -10.344 2.188 1.00 0.81 C ATOM 900 C ASP A 73 0.299 -10.624 2.472 1.00 0.84 C ATOM 901 O ASP A 73 0.940 -9.908 3.243 1.00 0.81 O ATOM 902 CB ASP A 73 -2.050 -10.907 3.307 1.00 0.86 C ATOM 903 CG ASP A 73 -2.103 -10.001 4.508 1.00 0.83 C ATOM 904 OD1 ASP A 73 -2.513 -8.831 4.346 1.00 0.76 O ATOM 905 OD2 ASP A 73 -1.738 -10.460 5.612 1.00 0.88 O ATOM 0 H ASP A 73 -2.184 -11.754 1.014 1.00 0.85 H new ATOM 0 HA ASP A 73 -1.304 -9.262 2.133 1.00 0.81 H new ATOM 0 HB2 ASP A 73 -3.061 -11.067 2.932 1.00 0.86 H new ATOM 0 HB3 ASP A 73 -1.664 -11.881 3.608 1.00 0.86 H new ATOM 910 N ASN A 74 0.832 -11.665 1.839 1.00 0.90 N ATOM 911 CA ASN A 74 2.233 -12.054 2.007 1.00 0.94 C ATOM 912 C ASN A 74 3.055 -11.638 0.799 1.00 0.92 C ATOM 913 O ASN A 74 4.263 -11.859 0.754 1.00 0.95 O ATOM 914 CB ASN A 74 2.340 -13.565 2.201 1.00 1.03 C ATOM 915 CG ASN A 74 1.802 -14.019 3.541 1.00 1.07 C ATOM 916 OD1 ASN A 74 1.621 -15.214 3.777 1.00 1.14 O ATOM 917 ND2 ASN A 74 1.551 -13.065 4.431 1.00 1.02 N ATOM 0 H ASN A 74 0.310 -12.262 1.198 1.00 0.90 H new ATOM 0 HA ASN A 74 2.623 -11.547 2.890 1.00 0.94 H new ATOM 0 HB2 ASN A 74 1.793 -14.070 1.404 1.00 1.03 H new ATOM 0 HB3 ASN A 74 3.384 -13.866 2.112 1.00 1.03 H new ATOM 0 HD21 ASN A 74 1.193 -13.310 5.354 1.00 1.02 H new ATOM 0 HD22 ASN A 74 1.716 -12.087 4.191 1.00 1.02 H new ATOM 924 N HIS A 75 2.385 -11.035 -0.177 1.00 0.88 N ATOM 925 CA HIS A 75 3.027 -10.570 -1.402 1.00 0.87 C ATOM 926 C HIS A 75 4.225 -9.662 -1.109 1.00 0.84 C ATOM 927 O HIS A 75 4.433 -9.238 0.029 1.00 0.82 O ATOM 928 CB HIS A 75 2.013 -9.806 -2.261 1.00 0.83 C ATOM 929 CG HIS A 75 1.857 -10.351 -3.645 1.00 0.89 C ATOM 930 ND1 HIS A 75 2.924 -10.518 -4.504 1.00 0.94 N ATOM 931 CD2 HIS A 75 0.761 -10.770 -4.319 1.00 0.93 C ATOM 932 CE1 HIS A 75 2.489 -11.022 -5.647 1.00 1.00 C ATOM 933 NE2 HIS A 75 1.180 -11.183 -5.560 1.00 0.99 N ATOM 0 H HIS A 75 1.382 -10.855 -0.142 1.00 0.88 H new ATOM 0 HA HIS A 75 3.390 -11.448 -1.937 1.00 0.87 H new ATOM 0 HB2 HIS A 75 1.044 -9.824 -1.763 1.00 0.83 H new ATOM 0 HB3 HIS A 75 2.320 -8.762 -2.325 1.00 0.83 H new ATOM 0 HD2 HIS A 75 -0.254 -10.778 -3.950 1.00 0.93 H new ATOM 0 HE1 HIS A 75 3.099 -11.261 -6.505 1.00 1.00 H new ATOM 0 HE2 HIS A 75 0.578 -11.554 -6.295 1.00 0.99 H new ATOM 941 N THR A 76 5.001 -9.371 -2.151 1.00 0.86 N ATOM 942 CA THR A 76 6.178 -8.512 -2.061 1.00 0.86 C ATOM 943 C THR A 76 6.721 -8.432 -3.473 1.00 0.90 C ATOM 944 O THR A 76 6.620 -9.402 -4.217 1.00 0.95 O ATOM 945 CB THR A 76 7.272 -9.117 -1.149 1.00 0.91 C ATOM 946 OG1 THR A 76 6.802 -9.165 0.203 1.00 0.89 O ATOM 947 CG2 THR A 76 8.542 -8.276 -1.198 1.00 0.92 C ATOM 0 H THR A 76 4.828 -9.729 -3.090 1.00 0.86 H new ATOM 0 HA THR A 76 5.907 -7.544 -1.639 1.00 0.86 H new ATOM 0 HB THR A 76 7.495 -10.123 -1.506 1.00 0.91 H new ATOM 0 HG1 THR A 76 5.948 -8.690 0.269 1.00 0.89 H new ATOM 0 HG21 THR A 76 9.297 -8.720 -0.550 1.00 0.92 H new ATOM 0 HG22 THR A 76 8.917 -8.242 -2.221 1.00 0.92 H new ATOM 0 HG23 THR A 76 8.322 -7.264 -0.858 1.00 0.92 H new ATOM 955 N PRO A 77 7.293 -7.277 -3.869 1.00 0.88 N ATOM 956 CA PRO A 77 7.849 -7.118 -5.219 1.00 0.94 C ATOM 957 C PRO A 77 8.701 -8.323 -5.602 1.00 1.02 C ATOM 958 O PRO A 77 9.072 -8.505 -6.763 1.00 1.08 O ATOM 959 CB PRO A 77 8.662 -5.836 -5.103 1.00 0.93 C ATOM 960 CG PRO A 77 7.828 -5.027 -4.177 1.00 0.84 C ATOM 961 CD PRO A 77 7.443 -6.029 -3.099 1.00 0.83 C ATOM 0 HA PRO A 77 7.095 -7.058 -6.004 1.00 0.94 H new ATOM 0 HB2 PRO A 77 9.658 -6.019 -4.701 1.00 0.93 H new ATOM 0 HB3 PRO A 77 8.793 -5.347 -6.068 1.00 0.93 H new ATOM 0 HG2 PRO A 77 8.384 -4.185 -3.765 1.00 0.84 H new ATOM 0 HG3 PRO A 77 6.951 -4.616 -4.678 1.00 0.84 H new ATOM 0 HD2 PRO A 77 8.211 -6.115 -2.331 1.00 0.83 H new ATOM 0 HD3 PRO A 77 6.518 -5.749 -2.595 1.00 0.83 H new ATOM 969 N LYS A 78 9.009 -9.137 -4.595 1.00 1.03 N ATOM 970 CA LYS A 78 9.783 -10.355 -4.770 1.00 1.11 C ATOM 971 C LYS A 78 8.975 -11.254 -5.699 1.00 1.14 C ATOM 972 O LYS A 78 9.515 -12.145 -6.357 1.00 1.21 O ATOM 973 CB LYS A 78 9.976 -11.036 -3.409 1.00 1.12 C ATOM 974 CG LYS A 78 10.709 -12.370 -3.448 1.00 1.20 C ATOM 975 CD LYS A 78 10.747 -13.008 -2.063 1.00 1.22 C ATOM 976 CE LYS A 78 11.376 -14.393 -2.099 1.00 1.31 C ATOM 977 NZ LYS A 78 11.328 -15.061 -0.766 1.00 1.33 N ATOM 0 H LYS A 78 8.725 -8.966 -3.630 1.00 1.03 H new ATOM 0 HA LYS A 78 10.768 -10.149 -5.189 1.00 1.11 H new ATOM 0 HB2 LYS A 78 10.525 -10.357 -2.756 1.00 1.12 H new ATOM 0 HB3 LYS A 78 8.997 -11.191 -2.957 1.00 1.12 H new ATOM 0 HG2 LYS A 78 10.214 -13.042 -4.149 1.00 1.20 H new ATOM 0 HG3 LYS A 78 11.725 -12.221 -3.813 1.00 1.20 H new ATOM 0 HD2 LYS A 78 11.311 -12.369 -1.383 1.00 1.22 H new ATOM 0 HD3 LYS A 78 9.734 -13.078 -1.667 1.00 1.22 H new ATOM 0 HE2 LYS A 78 10.856 -15.009 -2.833 1.00 1.31 H new ATOM 0 HE3 LYS A 78 12.412 -14.313 -2.428 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 11.766 -16.002 -0.833 1.00 1.33 H new ATOM 0 HZ2 LYS A 78 11.846 -14.486 -0.071 1.00 1.33 H new ATOM 0 HZ3 LYS A 78 10.338 -15.161 -0.463 1.00 1.33 H new ATOM 991 N GLU A 79 7.671 -10.997 -5.749 1.00 1.09 N ATOM 992 CA GLU A 79 6.754 -11.763 -6.576 1.00 1.13 C ATOM 993 C GLU A 79 6.122 -10.910 -7.674 1.00 1.12 C ATOM 994 O GLU A 79 5.839 -11.406 -8.763 1.00 1.18 O ATOM 995 CB GLU A 79 5.644 -12.352 -5.705 1.00 1.10 C ATOM 996 CG GLU A 79 6.139 -13.097 -4.481 1.00 1.12 C ATOM 997 CD GLU A 79 7.016 -14.278 -4.838 1.00 1.20 C ATOM 998 OE1 GLU A 79 6.555 -15.151 -5.603 1.00 1.25 O ATOM 999 OE2 GLU A 79 8.164 -14.335 -4.350 1.00 1.23 O ATOM 0 H GLU A 79 7.224 -10.251 -5.216 1.00 1.09 H new ATOM 0 HA GLU A 79 7.330 -12.556 -7.052 1.00 1.13 H new ATOM 0 HB2 GLU A 79 4.985 -11.546 -5.383 1.00 1.10 H new ATOM 0 HB3 GLU A 79 5.045 -13.031 -6.311 1.00 1.10 H new ATOM 0 HG2 GLU A 79 6.699 -12.412 -3.844 1.00 1.12 H new ATOM 0 HG3 GLU A 79 5.284 -13.445 -3.901 1.00 1.12 H new ATOM 1006 N LEU A 80 5.907 -9.627 -7.384 1.00 1.06 N ATOM 1007 CA LEU A 80 5.285 -8.706 -8.335 1.00 1.05 C ATOM 1008 C LEU A 80 6.257 -7.994 -9.260 1.00 1.10 C ATOM 1009 O LEU A 80 5.842 -7.366 -10.236 1.00 1.12 O ATOM 1010 CB LEU A 80 4.459 -7.662 -7.588 1.00 0.97 C ATOM 1011 CG LEU A 80 3.197 -8.194 -6.919 1.00 0.94 C ATOM 1012 CD1 LEU A 80 2.515 -7.099 -6.118 1.00 0.85 C ATOM 1013 CD2 LEU A 80 2.271 -8.735 -7.990 1.00 1.00 C ATOM 0 H LEU A 80 6.156 -9.200 -6.492 1.00 1.06 H new ATOM 0 HA LEU A 80 4.658 -9.332 -8.970 1.00 1.05 H new ATOM 0 HB2 LEU A 80 5.088 -7.200 -6.827 1.00 0.97 H new ATOM 0 HB3 LEU A 80 4.177 -6.876 -8.288 1.00 0.97 H new ATOM 0 HG LEU A 80 3.457 -8.994 -6.226 1.00 0.94 H new ATOM 0 HD11 LEU A 80 1.616 -7.498 -5.648 1.00 0.85 H new ATOM 0 HD12 LEU A 80 3.195 -6.734 -5.349 1.00 0.85 H new ATOM 0 HD13 LEU A 80 2.243 -6.278 -6.782 1.00 0.85 H new ATOM 0 HD21 LEU A 80 1.363 -9.119 -7.526 1.00 1.00 H new ATOM 0 HD22 LEU A 80 2.013 -7.936 -8.685 1.00 1.00 H new ATOM 0 HD23 LEU A 80 2.770 -9.539 -8.531 1.00 1.00 H new ATOM 1025 N GLY A 81 7.546 -8.085 -8.952 1.00 1.11 N ATOM 1026 CA GLY A 81 8.544 -7.433 -9.778 1.00 1.16 C ATOM 1027 C GLY A 81 8.206 -5.973 -10.015 1.00 1.13 C ATOM 1028 O GLY A 81 8.547 -5.399 -11.047 1.00 1.18 O ATOM 0 H GLY A 81 7.916 -8.595 -8.150 1.00 1.11 H new ATOM 0 HA2 GLY A 81 9.520 -7.508 -9.298 1.00 1.16 H new ATOM 0 HA3 GLY A 81 8.619 -7.950 -10.735 1.00 1.16 H new ATOM 1032 N MET A 82 7.524 -5.374 -9.048 1.00 1.05 N ATOM 1033 CA MET A 82 7.143 -3.979 -9.157 1.00 1.02 C ATOM 1034 C MET A 82 8.382 -3.096 -9.221 1.00 1.05 C ATOM 1035 O MET A 82 9.178 -3.072 -8.283 1.00 1.02 O ATOM 1036 CB MET A 82 6.291 -3.569 -7.952 1.00 0.93 C ATOM 1037 CG MET A 82 5.041 -4.410 -7.755 1.00 0.90 C ATOM 1038 SD MET A 82 3.945 -3.758 -6.469 1.00 0.80 S ATOM 1039 CE MET A 82 4.556 -4.609 -5.019 1.00 0.76 C ATOM 0 H MET A 82 7.227 -5.831 -8.186 1.00 1.05 H new ATOM 0 HA MET A 82 6.563 -3.851 -10.071 1.00 1.02 H new ATOM 0 HB2 MET A 82 6.902 -3.631 -7.052 1.00 0.93 H new ATOM 0 HB3 MET A 82 5.998 -2.525 -8.067 1.00 0.93 H new ATOM 0 HG2 MET A 82 4.495 -4.465 -8.697 1.00 0.90 H new ATOM 0 HG3 MET A 82 5.332 -5.428 -7.495 1.00 0.90 H new ATOM 0 HE1 MET A 82 3.717 -4.896 -4.385 1.00 0.76 H new ATOM 0 HE2 MET A 82 5.102 -5.502 -5.324 1.00 0.76 H new ATOM 0 HE3 MET A 82 5.222 -3.949 -4.463 1.00 0.76 H new ATOM 1049 N GLU A 83 8.552 -2.380 -10.331 1.00 1.11 N ATOM 1050 CA GLU A 83 9.691 -1.481 -10.488 1.00 1.14 C ATOM 1051 C GLU A 83 9.442 -0.261 -9.604 1.00 1.08 C ATOM 1052 O GLU A 83 8.754 -0.355 -8.588 1.00 1.01 O ATOM 1053 CB GLU A 83 9.832 -1.055 -11.947 1.00 1.23 C ATOM 1054 CG GLU A 83 11.104 -1.599 -12.668 1.00 1.31 C ATOM 1055 CD GLU A 83 11.195 -1.216 -14.150 1.00 1.40 C ATOM 1056 OE1 GLU A 83 10.698 -1.991 -15.005 1.00 1.44 O ATOM 1057 OE2 GLU A 83 11.792 -0.157 -14.463 1.00 1.43 O ATOM 0 H GLU A 83 7.919 -2.405 -11.130 1.00 1.11 H new ATOM 0 HA GLU A 83 10.614 -1.982 -10.196 1.00 1.14 H new ATOM 0 HB2 GLU A 83 8.951 -1.388 -12.495 1.00 1.23 H new ATOM 0 HB3 GLU A 83 9.843 0.034 -11.993 1.00 1.23 H new ATOM 0 HG2 GLU A 83 11.989 -1.226 -12.152 1.00 1.31 H new ATOM 0 HG3 GLU A 83 11.120 -2.686 -12.583 1.00 1.31 H new ATOM 1064 N GLU A 84 10.007 0.881 -9.976 1.00 1.12 N ATOM 1065 CA GLU A 84 9.793 2.093 -9.196 1.00 1.08 C ATOM 1066 C GLU A 84 8.652 2.835 -9.872 1.00 1.09 C ATOM 1067 O GLU A 84 8.258 2.486 -10.987 1.00 1.14 O ATOM 1068 CB GLU A 84 11.042 2.982 -9.191 1.00 1.14 C ATOM 1069 CG GLU A 84 12.357 2.273 -8.881 1.00 1.17 C ATOM 1070 CD GLU A 84 13.010 1.672 -10.119 1.00 1.25 C ATOM 1071 OE1 GLU A 84 13.312 2.435 -11.063 1.00 1.31 O ATOM 1072 OE2 GLU A 84 13.226 0.441 -10.146 1.00 1.25 O ATOM 0 H GLU A 84 10.604 0.993 -10.795 1.00 1.12 H new ATOM 0 HA GLU A 84 9.569 1.842 -8.159 1.00 1.08 H new ATOM 0 HB2 GLU A 84 11.129 3.460 -10.167 1.00 1.14 H new ATOM 0 HB3 GLU A 84 10.897 3.776 -8.459 1.00 1.14 H new ATOM 0 HG2 GLU A 84 13.046 2.981 -8.420 1.00 1.17 H new ATOM 0 HG3 GLU A 84 12.176 1.483 -8.152 1.00 1.17 H new ATOM 1079 N GLU A 85 8.114 3.846 -9.199 1.00 1.05 N ATOM 1080 CA GLU A 85 7.023 4.650 -9.753 1.00 1.07 C ATOM 1081 C GLU A 85 5.717 3.869 -9.907 1.00 1.04 C ATOM 1082 O GLU A 85 4.708 4.419 -10.349 1.00 1.06 O ATOM 1083 CB GLU A 85 7.444 5.222 -11.115 1.00 1.17 C ATOM 1084 CG GLU A 85 6.450 6.195 -11.731 1.00 1.21 C ATOM 1085 CD GLU A 85 6.306 7.464 -10.919 1.00 1.19 C ATOM 1086 OE1 GLU A 85 7.306 8.201 -10.795 1.00 1.22 O ATOM 1087 OE2 GLU A 85 5.197 7.719 -10.404 1.00 1.14 O ATOM 0 H GLU A 85 8.414 4.131 -8.267 1.00 1.05 H new ATOM 0 HA GLU A 85 6.830 5.453 -9.042 1.00 1.07 H new ATOM 0 HB2 GLU A 85 8.403 5.727 -11.001 1.00 1.17 H new ATOM 0 HB3 GLU A 85 7.600 4.395 -11.808 1.00 1.17 H new ATOM 0 HG2 GLU A 85 6.772 6.448 -12.741 1.00 1.21 H new ATOM 0 HG3 GLU A 85 5.478 5.710 -11.818 1.00 1.21 H new ATOM 1094 N ASP A 86 5.735 2.591 -9.544 1.00 1.00 N ATOM 1095 CA ASP A 86 4.541 1.759 -9.646 1.00 0.97 C ATOM 1096 C ASP A 86 3.331 2.426 -9.020 1.00 0.92 C ATOM 1097 O ASP A 86 3.437 3.490 -8.408 1.00 0.90 O ATOM 1098 CB ASP A 86 4.766 0.407 -8.970 1.00 0.93 C ATOM 1099 CG ASP A 86 5.109 -0.681 -9.956 1.00 1.00 C ATOM 1100 OD1 ASP A 86 4.297 -0.923 -10.873 1.00 1.05 O ATOM 1101 OD2 ASP A 86 6.187 -1.296 -9.818 1.00 1.01 O ATOM 0 H ASP A 86 6.557 2.111 -9.179 1.00 1.00 H new ATOM 0 HA ASP A 86 4.348 1.615 -10.709 1.00 0.97 H new ATOM 0 HB2 ASP A 86 5.571 0.499 -8.240 1.00 0.93 H new ATOM 0 HB3 ASP A 86 3.868 0.125 -8.420 1.00 0.93 H new ATOM 1106 N VAL A 87 2.177 1.789 -9.174 1.00 0.92 N ATOM 1107 CA VAL A 87 0.938 2.314 -8.624 1.00 0.88 C ATOM 1108 C VAL A 87 0.101 1.201 -8.019 1.00 0.83 C ATOM 1109 O VAL A 87 0.128 0.066 -8.487 1.00 0.86 O ATOM 1110 CB VAL A 87 0.097 3.019 -9.714 1.00 0.97 C ATOM 1111 CG1 VAL A 87 -1.260 3.412 -9.156 1.00 0.94 C ATOM 1112 CG2 VAL A 87 0.833 4.244 -10.225 1.00 1.02 C ATOM 0 H VAL A 87 2.075 0.907 -9.676 1.00 0.92 H new ATOM 0 HA VAL A 87 1.212 3.034 -7.852 1.00 0.88 H new ATOM 0 HB VAL A 87 -0.056 2.330 -10.545 1.00 0.97 H new ATOM 0 HG11 VAL A 87 -1.843 3.907 -9.932 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.788 2.519 -8.820 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -1.124 4.092 -8.315 1.00 0.94 H new ATOM 0 HG21 VAL A 87 0.234 4.735 -10.992 1.00 1.02 H new ATOM 0 HG22 VAL A 87 1.004 4.936 -9.400 1.00 1.02 H new ATOM 0 HG23 VAL A 87 1.790 3.942 -10.650 1.00 1.02 H new ATOM 1122 N ILE A 88 -0.623 1.533 -6.956 1.00 0.76 N ATOM 1123 CA ILE A 88 -1.504 0.583 -6.301 1.00 0.72 C ATOM 1124 C ILE A 88 -2.847 1.266 -6.122 1.00 0.73 C ATOM 1125 O ILE A 88 -2.913 2.445 -5.769 1.00 0.72 O ATOM 1126 CB ILE A 88 -0.992 0.142 -4.908 1.00 0.62 C ATOM 1127 CG1 ILE A 88 0.293 -0.674 -5.046 1.00 0.63 C ATOM 1128 CG2 ILE A 88 -2.042 -0.720 -4.221 1.00 0.60 C ATOM 1129 CD1 ILE A 88 0.792 -1.264 -3.733 1.00 0.56 C ATOM 0 H ILE A 88 -0.614 2.460 -6.530 1.00 0.76 H new ATOM 0 HA ILE A 88 -1.561 -0.312 -6.920 1.00 0.72 H new ATOM 0 HB ILE A 88 -0.795 1.036 -4.317 1.00 0.62 H new ATOM 0 HG12 ILE A 88 0.124 -1.484 -5.756 1.00 0.63 H new ATOM 0 HG13 ILE A 88 1.072 -0.039 -5.467 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -1.676 -1.027 -3.241 1.00 0.60 H new ATOM 0 HG22 ILE A 88 -2.962 -0.147 -4.102 1.00 0.60 H new ATOM 0 HG23 ILE A 88 -2.241 -1.604 -4.828 1.00 0.60 H new ATOM 0 HD11 ILE A 88 1.707 -1.829 -3.912 1.00 0.56 H new ATOM 0 HD12 ILE A 88 0.995 -0.459 -3.026 1.00 0.56 H new ATOM 0 HD13 ILE A 88 0.032 -1.927 -3.320 1.00 0.56 H new ATOM 1141 N GLU A 89 -3.916 0.522 -6.387 1.00 0.77 N ATOM 1142 CA GLU A 89 -5.266 1.043 -6.249 1.00 0.80 C ATOM 1143 C GLU A 89 -5.890 0.457 -4.994 1.00 0.74 C ATOM 1144 O GLU A 89 -5.663 -0.709 -4.671 1.00 0.72 O ATOM 1145 CB GLU A 89 -6.119 0.652 -7.460 1.00 0.90 C ATOM 1146 CG GLU A 89 -6.620 1.824 -8.291 1.00 0.98 C ATOM 1147 CD GLU A 89 -5.568 2.362 -9.243 1.00 1.02 C ATOM 1148 OE1 GLU A 89 -5.142 1.598 -10.140 1.00 1.06 O ATOM 1149 OE2 GLU A 89 -5.167 3.539 -9.097 1.00 1.01 O ATOM 0 H GLU A 89 -3.870 -0.448 -6.700 1.00 0.77 H new ATOM 0 HA GLU A 89 -5.224 2.130 -6.185 1.00 0.80 H new ATOM 0 HB2 GLU A 89 -5.534 -0.007 -8.102 1.00 0.90 H new ATOM 0 HB3 GLU A 89 -6.978 0.078 -7.112 1.00 0.90 H new ATOM 0 HG2 GLU A 89 -7.494 1.511 -8.862 1.00 0.98 H new ATOM 0 HG3 GLU A 89 -6.944 2.624 -7.625 1.00 0.98 H new ATOM 1156 N VAL A 90 -6.659 1.268 -4.280 1.00 0.73 N ATOM 1157 CA VAL A 90 -7.331 0.798 -3.077 1.00 0.69 C ATOM 1158 C VAL A 90 -8.814 1.015 -3.307 1.00 0.77 C ATOM 1159 O VAL A 90 -9.225 2.076 -3.780 1.00 0.82 O ATOM 1160 CB VAL A 90 -6.912 1.590 -1.814 1.00 0.61 C ATOM 1161 CG1 VAL A 90 -7.460 0.909 -0.566 1.00 0.59 C ATOM 1162 CG2 VAL A 90 -5.407 1.693 -1.736 1.00 0.54 C ATOM 0 H VAL A 90 -6.832 2.246 -4.511 1.00 0.73 H new ATOM 0 HA VAL A 90 -7.068 -0.246 -2.904 1.00 0.69 H new ATOM 0 HB VAL A 90 -7.326 2.596 -1.876 1.00 0.61 H new ATOM 0 HG11 VAL A 90 -7.160 1.473 0.317 1.00 0.59 H new ATOM 0 HG12 VAL A 90 -8.548 0.871 -0.620 1.00 0.59 H new ATOM 0 HG13 VAL A 90 -7.064 -0.105 -0.501 1.00 0.59 H new ATOM 0 HG21 VAL A 90 -5.126 2.252 -0.843 1.00 0.54 H new ATOM 0 HG22 VAL A 90 -4.976 0.693 -1.688 1.00 0.54 H new ATOM 0 HG23 VAL A 90 -5.031 2.208 -2.620 1.00 0.54 H new ATOM 1172 N TYR A 91 -9.615 0.009 -2.992 1.00 0.80 N ATOM 1173 CA TYR A 91 -11.048 0.130 -3.166 1.00 0.88 C ATOM 1174 C TYR A 91 -11.747 -0.191 -1.864 1.00 0.87 C ATOM 1175 O TYR A 91 -11.370 -1.129 -1.166 1.00 0.83 O ATOM 1176 CB TYR A 91 -11.546 -0.818 -4.254 1.00 0.96 C ATOM 1177 CG TYR A 91 -11.014 -0.515 -5.634 1.00 1.00 C ATOM 1178 CD1 TYR A 91 -9.712 -0.855 -5.994 1.00 0.96 C ATOM 1179 CD2 TYR A 91 -11.821 0.112 -6.585 1.00 1.08 C ATOM 1180 CE1 TYR A 91 -9.222 -0.579 -7.271 1.00 1.01 C ATOM 1181 CE2 TYR A 91 -11.339 0.392 -7.866 1.00 1.13 C ATOM 1182 CZ TYR A 91 -10.040 0.043 -8.204 1.00 1.10 C ATOM 1183 OH TYR A 91 -9.560 0.318 -9.466 1.00 1.15 O ATOM 0 H TYR A 91 -9.300 -0.887 -2.620 1.00 0.80 H new ATOM 0 HA TYR A 91 -11.272 1.154 -3.466 1.00 0.88 H new ATOM 0 HB2 TYR A 91 -11.268 -1.837 -3.986 1.00 0.96 H new ATOM 0 HB3 TYR A 91 -12.635 -0.781 -4.281 1.00 0.96 H new ATOM 0 HD1 TYR A 91 -9.071 -1.340 -5.273 1.00 0.96 H new ATOM 0 HD2 TYR A 91 -12.833 0.385 -6.326 1.00 1.08 H new ATOM 0 HE1 TYR A 91 -8.209 -0.849 -7.533 1.00 1.01 H new ATOM 0 HE2 TYR A 91 -11.976 0.878 -8.590 1.00 1.13 H new ATOM 0 HH TYR A 91 -10.261 0.754 -9.995 1.00 1.15 H new ATOM 1193 N GLN A 92 -12.755 0.608 -1.532 1.00 0.91 N ATOM 1194 CA GLN A 92 -13.537 0.395 -0.325 1.00 0.92 C ATOM 1195 C GLN A 92 -14.123 -1.004 -0.477 1.00 0.97 C ATOM 1196 O GLN A 92 -14.609 -1.362 -1.556 1.00 1.03 O ATOM 1197 CB GLN A 92 -14.641 1.456 -0.238 1.00 0.98 C ATOM 1198 CG GLN A 92 -15.733 1.209 0.798 1.00 1.02 C ATOM 1199 CD GLN A 92 -15.227 1.177 2.228 1.00 0.97 C ATOM 1200 OE1 GLN A 92 -14.241 1.833 2.568 1.00 0.91 O ATOM 1201 NE2 GLN A 92 -15.922 0.428 3.082 1.00 1.01 N ATOM 0 H GLN A 92 -13.049 1.412 -2.086 1.00 0.91 H new ATOM 0 HA GLN A 92 -12.946 0.478 0.587 1.00 0.92 H new ATOM 0 HB2 GLN A 92 -14.176 2.418 -0.022 1.00 0.98 H new ATOM 0 HB3 GLN A 92 -15.111 1.542 -1.218 1.00 0.98 H new ATOM 0 HG2 GLN A 92 -16.489 1.989 0.708 1.00 1.02 H new ATOM 0 HG3 GLN A 92 -16.224 0.262 0.575 1.00 1.02 H new ATOM 0 HE21 GLN A 92 -16.732 -0.099 2.756 1.00 1.01 H new ATOM 0 HE22 GLN A 92 -15.644 0.381 4.062 1.00 1.01 H new ATOM 1210 N GLU A 93 -14.053 -1.808 0.578 1.00 0.95 N ATOM 1211 CA GLU A 93 -14.579 -3.161 0.493 1.00 1.00 C ATOM 1212 C GLU A 93 -16.091 -3.146 0.646 1.00 1.09 C ATOM 1213 O GLU A 93 -16.649 -2.378 1.433 1.00 1.10 O ATOM 1214 CB GLU A 93 -13.945 -4.069 1.550 1.00 0.97 C ATOM 1215 CG GLU A 93 -14.108 -5.554 1.231 1.00 1.02 C ATOM 1216 CD GLU A 93 -13.492 -5.935 -0.115 1.00 1.02 C ATOM 1217 OE1 GLU A 93 -12.255 -6.129 -0.177 1.00 0.96 O ATOM 1218 OE2 GLU A 93 -14.251 -6.029 -1.109 1.00 1.08 O ATOM 0 H GLU A 93 -13.648 -1.554 1.479 1.00 0.95 H new ATOM 0 HA GLU A 93 -14.326 -3.562 -0.488 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -12.884 -3.835 1.634 1.00 0.97 H new ATOM 0 HB3 GLU A 93 -14.396 -3.859 2.520 1.00 0.97 H new ATOM 0 HG2 GLU A 93 -13.643 -6.145 2.020 1.00 1.02 H new ATOM 0 HG3 GLU A 93 -15.168 -5.807 1.226 1.00 1.02 H new ATOM 1225 N GLN A 94 -16.741 -4.018 -0.119 1.00 1.16 N ATOM 1226 CA GLN A 94 -18.193 -4.114 -0.131 1.00 1.25 C ATOM 1227 C GLN A 94 -18.603 -5.528 -0.507 1.00 1.31 C ATOM 1228 O GLN A 94 -17.762 -6.343 -0.887 1.00 1.28 O ATOM 1229 CB GLN A 94 -18.727 -3.155 -1.178 1.00 1.29 C ATOM 1230 CG GLN A 94 -18.211 -3.502 -2.562 1.00 1.30 C ATOM 1231 CD GLN A 94 -18.496 -2.433 -3.578 1.00 1.33 C ATOM 1232 OE1 GLN A 94 -17.946 -1.329 -3.513 1.00 1.29 O ATOM 1233 NE2 GLN A 94 -19.364 -2.748 -4.532 1.00 1.42 N ATOM 0 H GLN A 94 -16.276 -4.675 -0.745 1.00 1.16 H new ATOM 0 HA GLN A 94 -18.591 -3.868 0.853 1.00 1.25 H new ATOM 0 HB2 GLN A 94 -19.817 -3.183 -1.177 1.00 1.29 H new ATOM 0 HB3 GLN A 94 -18.434 -2.136 -0.924 1.00 1.29 H new ATOM 0 HG2 GLN A 94 -17.135 -3.670 -2.511 1.00 1.30 H new ATOM 0 HG3 GLN A 94 -18.665 -4.437 -2.889 1.00 1.30 H new ATOM 0 HE21 GLN A 94 -19.794 -3.673 -4.545 1.00 1.42 H new ATOM 0 HE22 GLN A 94 -19.601 -2.065 -5.251 1.00 1.42 H new ATOM 1242 N THR A 95 -19.905 -5.797 -0.414 1.00 1.39 N ATOM 1243 CA THR A 95 -20.481 -7.096 -0.754 1.00 1.45 C ATOM 1244 C THR A 95 -21.869 -6.860 -1.342 1.00 1.54 C ATOM 1245 O THR A 95 -22.415 -5.761 -1.231 1.00 1.55 O ATOM 1246 CB THR A 95 -20.639 -7.993 0.490 1.00 1.47 C ATOM 1247 OG1 THR A 95 -21.557 -7.383 1.407 1.00 1.49 O ATOM 1248 CG2 THR A 95 -19.298 -8.192 1.184 1.00 1.39 C ATOM 0 H THR A 95 -20.594 -5.114 -0.098 1.00 1.39 H new ATOM 0 HA THR A 95 -19.815 -7.594 -1.459 1.00 1.45 H new ATOM 0 HB THR A 95 -21.018 -8.964 0.171 1.00 1.47 H new ATOM 0 HG1 THR A 95 -21.659 -7.954 2.197 1.00 1.49 H new ATOM 0 HG21 THR A 95 -19.432 -8.828 2.059 1.00 1.39 H new ATOM 0 HG22 THR A 95 -18.599 -8.666 0.495 1.00 1.39 H new ATOM 0 HG23 THR A 95 -18.902 -7.225 1.495 1.00 1.39 H new ATOM 1256 N GLY A 96 -22.439 -7.887 -1.966 1.00 1.61 N ATOM 1257 CA GLY A 96 -23.764 -7.744 -2.547 1.00 1.70 C ATOM 1258 C GLY A 96 -24.824 -7.531 -1.482 1.00 1.74 C ATOM 1259 O GLY A 96 -24.507 -7.284 -0.319 1.00 1.69 O ATOM 0 H GLY A 96 -22.013 -8.807 -2.080 1.00 1.61 H new ATOM 0 HA2 GLY A 96 -23.769 -6.902 -3.239 1.00 1.70 H new ATOM 0 HA3 GLY A 96 -24.005 -8.635 -3.127 1.00 1.70 H new ATOM 1263 N GLY A 97 -26.087 -7.627 -1.878 1.00 1.82 N ATOM 1264 CA GLY A 97 -27.208 -7.450 -0.954 1.00 1.87 C ATOM 1265 C GLY A 97 -28.427 -8.203 -1.480 1.00 1.97 C ATOM 1266 O GLY A 97 -28.396 -8.743 -2.589 1.00 2.00 O ATOM 0 H GLY A 97 -26.365 -7.828 -2.839 1.00 1.82 H new ATOM 0 HA2 GLY A 97 -26.939 -7.819 0.036 1.00 1.87 H new ATOM 0 HA3 GLY A 97 -27.440 -6.391 -0.847 1.00 1.87 H new TER 1270 GLY A 97 ATOM 1271 N ASP B2705 17.308 -6.824 12.056 1.00 4.63 N ATOM 1272 CA ASP B2705 16.310 -7.518 11.203 1.00 4.28 C ATOM 1273 C ASP B2705 14.965 -6.796 11.241 1.00 3.25 C ATOM 1274 O ASP B2705 14.238 -6.765 10.249 1.00 3.36 O ATOM 1275 CB ASP B2705 16.137 -8.965 11.672 1.00 4.99 C ATOM 1276 CG ASP B2705 15.309 -9.795 10.710 1.00 5.76 C ATOM 1277 OD1 ASP B2705 15.846 -10.190 9.655 1.00 6.28 O ATOM 1278 OD2 ASP B2705 14.125 -10.053 11.014 1.00 6.16 O ATOM 0 HA ASP B2705 16.675 -7.512 10.176 1.00 4.28 H new ATOM 0 HB2 ASP B2705 17.118 -9.424 11.791 1.00 4.99 H new ATOM 0 HB3 ASP B2705 15.662 -8.971 12.653 1.00 4.99 H new ATOM 1285 N ASN B2706 14.645 -6.207 12.392 1.00 2.76 N ATOM 1286 CA ASN B2706 13.385 -5.486 12.567 1.00 2.39 C ATOM 1287 C ASN B2706 13.565 -3.993 12.306 1.00 1.84 C ATOM 1288 O ASN B2706 12.617 -3.215 12.416 1.00 2.37 O ATOM 1289 CB ASN B2706 12.835 -5.705 13.981 1.00 2.90 C ATOM 1290 CG ASN B2706 12.285 -7.105 14.191 1.00 3.58 C ATOM 1291 OD1 ASN B2706 12.766 -8.074 13.601 1.00 3.87 O ATOM 1292 ND2 ASN B2706 11.267 -7.220 15.037 1.00 4.39 N ATOM 0 H ASN B2706 15.242 -6.215 13.219 1.00 2.76 H new ATOM 0 HA ASN B2706 12.672 -5.879 11.842 1.00 2.39 H new ATOM 0 HB2 ASN B2706 13.627 -5.519 14.706 1.00 2.90 H new ATOM 0 HB3 ASN B2706 12.047 -4.978 14.176 1.00 2.90 H new ATOM 0 HD21 ASN B2706 10.855 -8.135 15.218 1.00 4.39 H new ATOM 0 HD22 ASN B2706 10.897 -6.393 15.506 1.00 4.39 H new ATOM 1299 N GLU B2707 14.790 -3.599 11.962 1.00 1.74 N ATOM 1300 CA GLU B2707 15.107 -2.199 11.695 1.00 2.20 C ATOM 1301 C GLU B2707 14.572 -1.743 10.334 1.00 1.81 C ATOM 1302 O GLU B2707 14.518 -0.544 10.057 1.00 2.28 O ATOM 1303 CB GLU B2707 16.620 -1.968 11.767 1.00 3.18 C ATOM 1304 CG GLU B2707 17.228 -2.261 13.134 1.00 3.78 C ATOM 1305 CD GLU B2707 17.592 -3.723 13.314 1.00 3.83 C ATOM 1306 OE1 GLU B2707 18.594 -4.164 12.713 1.00 4.39 O ATOM 1307 OE2 GLU B2707 16.876 -4.427 14.057 1.00 3.75 O ATOM 0 H GLU B2707 15.582 -4.234 11.862 1.00 1.74 H new ATOM 0 HA GLU B2707 14.615 -1.603 12.464 1.00 2.20 H new ATOM 0 HB2 GLU B2707 17.109 -2.595 11.021 1.00 3.18 H new ATOM 0 HB3 GLU B2707 16.832 -0.932 11.501 1.00 3.18 H new ATOM 0 HG2 GLU B2707 18.120 -1.650 13.268 1.00 3.78 H new ATOM 0 HG3 GLU B2707 16.522 -1.969 13.911 1.00 3.78 H new ATOM 1314 N ILE B2708 14.189 -2.699 9.486 1.00 1.35 N ATOM 1315 CA ILE B2708 13.651 -2.376 8.163 1.00 1.26 C ATOM 1316 C ILE B2708 12.243 -1.790 8.283 1.00 0.89 C ATOM 1317 O ILE B2708 11.361 -2.383 8.906 1.00 1.03 O ATOM 1318 CB ILE B2708 13.629 -3.608 7.231 1.00 1.95 C ATOM 1319 CG1 ILE B2708 13.049 -4.829 7.956 1.00 2.57 C ATOM 1320 CG2 ILE B2708 15.034 -3.901 6.719 1.00 2.64 C ATOM 1321 CD1 ILE B2708 12.913 -6.056 7.078 1.00 3.48 C ATOM 0 H ILE B2708 14.241 -3.697 9.690 1.00 1.35 H new ATOM 0 HA ILE B2708 14.314 -1.633 7.720 1.00 1.26 H new ATOM 0 HB ILE B2708 12.986 -3.388 6.379 1.00 1.95 H new ATOM 0 HG12 ILE B2708 13.687 -5.071 8.806 1.00 2.57 H new ATOM 0 HG13 ILE B2708 12.069 -4.570 8.356 1.00 2.57 H new ATOM 0 HG21 ILE B2708 15.008 -4.771 6.063 1.00 2.64 H new ATOM 0 HG22 ILE B2708 15.406 -3.039 6.165 1.00 2.64 H new ATOM 0 HG23 ILE B2708 15.694 -4.102 7.563 1.00 2.64 H new ATOM 0 HD11 ILE B2708 12.496 -6.877 7.662 1.00 3.48 H new ATOM 0 HD12 ILE B2708 12.251 -5.833 6.241 1.00 3.48 H new ATOM 0 HD13 ILE B2708 13.894 -6.342 6.698 1.00 3.48 H new ATOM 1333 N GLU B2709 12.039 -0.620 7.682 1.00 0.95 N ATOM 1334 CA GLU B2709 10.749 0.060 7.750 1.00 0.87 C ATOM 1335 C GLU B2709 10.491 0.903 6.504 1.00 0.65 C ATOM 1336 O GLU B2709 11.421 1.288 5.795 1.00 0.80 O ATOM 1337 CB GLU B2709 10.689 0.952 8.985 1.00 1.45 C ATOM 1338 CG GLU B2709 9.277 1.206 9.488 1.00 2.04 C ATOM 1339 CD GLU B2709 9.235 2.176 10.654 1.00 2.40 C ATOM 1340 OE1 GLU B2709 9.510 1.747 11.794 1.00 2.91 O ATOM 1341 OE2 GLU B2709 8.926 3.364 10.426 1.00 2.74 O ATOM 0 H GLU B2709 12.749 -0.124 7.144 1.00 0.95 H new ATOM 0 HA GLU B2709 9.977 -0.707 7.810 1.00 0.87 H new ATOM 0 HB2 GLU B2709 11.272 0.492 9.783 1.00 1.45 H new ATOM 0 HB3 GLU B2709 11.161 1.907 8.755 1.00 1.45 H new ATOM 0 HG2 GLU B2709 8.671 1.599 8.672 1.00 2.04 H new ATOM 0 HG3 GLU B2709 8.828 0.260 9.792 1.00 2.04 H new ATOM 1348 N VAL B2710 9.213 1.172 6.243 1.00 0.63 N ATOM 1349 CA VAL B2710 8.810 1.971 5.091 1.00 0.56 C ATOM 1350 C VAL B2710 8.552 3.428 5.492 1.00 0.52 C ATOM 1351 O VAL B2710 8.329 3.731 6.665 1.00 0.61 O ATOM 1352 CB VAL B2710 7.539 1.389 4.431 1.00 0.75 C ATOM 1353 CG1 VAL B2710 7.730 -0.087 4.125 1.00 1.34 C ATOM 1354 CG2 VAL B2710 6.313 1.595 5.313 1.00 1.24 C ATOM 0 H VAL B2710 8.436 0.846 6.818 1.00 0.63 H new ATOM 0 HA VAL B2710 9.630 1.941 4.374 1.00 0.56 H new ATOM 0 HB VAL B2710 7.372 1.924 3.496 1.00 0.75 H new ATOM 0 HG11 VAL B2710 6.827 -0.482 3.661 1.00 1.34 H new ATOM 0 HG12 VAL B2710 8.572 -0.211 3.444 1.00 1.34 H new ATOM 0 HG13 VAL B2710 7.929 -0.628 5.050 1.00 1.34 H new ATOM 0 HG21 VAL B2710 5.436 1.175 4.821 1.00 1.24 H new ATOM 0 HG22 VAL B2710 6.466 1.097 6.270 1.00 1.24 H new ATOM 0 HG23 VAL B2710 6.160 2.661 5.480 1.00 1.24 H new ATOM 1364 N ILE B2711 8.596 4.327 4.508 1.00 0.51 N ATOM 1365 CA ILE B2711 8.367 5.749 4.755 1.00 0.51 C ATOM 1366 C ILE B2711 7.040 6.185 4.143 1.00 0.52 C ATOM 1367 O ILE B2711 6.712 5.804 3.019 1.00 0.66 O ATOM 1368 CB ILE B2711 9.500 6.624 4.175 1.00 0.66 C ATOM 1369 CG1 ILE B2711 10.850 5.911 4.299 1.00 0.98 C ATOM 1370 CG2 ILE B2711 9.541 7.969 4.890 1.00 0.83 C ATOM 1371 CD1 ILE B2711 11.960 6.564 3.502 1.00 1.65 C ATOM 0 H ILE B2711 8.788 4.095 3.534 1.00 0.51 H new ATOM 0 HA ILE B2711 8.344 5.887 5.836 1.00 0.51 H new ATOM 0 HB ILE B2711 9.300 6.795 3.117 1.00 0.66 H new ATOM 0 HG12 ILE B2711 11.139 5.880 5.349 1.00 0.98 H new ATOM 0 HG13 ILE B2711 10.737 4.878 3.969 1.00 0.98 H new ATOM 0 HG21 ILE B2711 10.343 8.578 4.474 1.00 0.83 H new ATOM 0 HG22 ILE B2711 8.589 8.482 4.755 1.00 0.83 H new ATOM 0 HG23 ILE B2711 9.720 7.810 5.953 1.00 0.83 H new ATOM 0 HD11 ILE B2711 12.885 6.004 3.639 1.00 1.65 H new ATOM 0 HD12 ILE B2711 11.693 6.571 2.445 1.00 1.65 H new ATOM 0 HD13 ILE B2711 12.102 7.588 3.847 1.00 1.65 H new ATOM 1383 N ILE B2712 6.278 6.988 4.883 1.00 0.60 N ATOM 1384 CA ILE B2712 4.978 7.450 4.406 1.00 0.76 C ATOM 1385 C ILE B2712 4.853 8.969 4.455 1.00 0.66 C ATOM 1386 O ILE B2712 4.595 9.535 5.517 1.00 0.92 O ATOM 1387 CB ILE B2712 3.823 6.872 5.251 1.00 1.23 C ATOM 1388 CG1 ILE B2712 4.213 5.532 5.879 1.00 0.99 C ATOM 1389 CG2 ILE B2712 2.573 6.722 4.396 1.00 1.76 C ATOM 1390 CD1 ILE B2712 3.689 5.358 7.286 1.00 1.49 C ATOM 0 H ILE B2712 6.537 7.330 5.809 1.00 0.60 H new ATOM 0 HA ILE B2712 4.909 7.103 3.375 1.00 0.76 H new ATOM 0 HB ILE B2712 3.612 7.568 6.063 1.00 1.23 H new ATOM 0 HG12 ILE B2712 3.835 4.722 5.255 1.00 0.99 H new ATOM 0 HG13 ILE B2712 5.300 5.446 5.890 1.00 0.99 H new ATOM 0 HG21 ILE B2712 1.764 6.313 5.002 1.00 1.76 H new ATOM 0 HG22 ILE B2712 2.279 7.697 4.008 1.00 1.76 H new ATOM 0 HG23 ILE B2712 2.780 6.048 3.565 1.00 1.76 H new ATOM 0 HD11 ILE B2712 4.001 4.388 7.673 1.00 1.49 H new ATOM 0 HD12 ILE B2712 4.087 6.148 7.923 1.00 1.49 H new ATOM 0 HD13 ILE B2712 2.600 5.413 7.278 1.00 1.49 H new ATOM 1402 N VAL B2713 5.012 9.619 3.299 1.00 0.48 N ATOM 1403 CA VAL B2713 4.878 11.050 3.194 1.00 0.53 C ATOM 1404 C VAL B2713 4.651 11.471 1.746 1.00 0.46 C ATOM 1405 O VAL B2713 5.525 11.320 0.893 1.00 0.73 O ATOM 1406 CB VAL B2713 6.100 11.828 3.748 1.00 0.90 C ATOM 1407 CG1 VAL B2713 5.900 12.201 5.211 1.00 1.67 C ATOM 1408 CG2 VAL B2713 7.390 11.036 3.564 1.00 0.89 C ATOM 0 H VAL B2713 5.237 9.157 2.418 1.00 0.48 H new ATOM 0 HA VAL B2713 4.014 11.304 3.807 1.00 0.53 H new ATOM 0 HB VAL B2713 6.187 12.751 3.174 1.00 0.90 H new ATOM 0 HG11 VAL B2713 6.773 12.745 5.570 1.00 1.67 H new ATOM 0 HG12 VAL B2713 5.015 12.830 5.308 1.00 1.67 H new ATOM 0 HG13 VAL B2713 5.768 11.295 5.803 1.00 1.67 H new ATOM 0 HG21 VAL B2713 8.228 11.608 3.962 1.00 0.89 H new ATOM 0 HG22 VAL B2713 7.313 10.087 4.095 1.00 0.89 H new ATOM 0 HG23 VAL B2713 7.552 10.846 2.503 1.00 0.89 H new ATOM 1418 N TRP B2714 3.457 11.988 1.484 1.00 0.61 N ATOM 1419 CA TRP B2714 3.090 12.465 0.159 1.00 0.78 C ATOM 1420 C TRP B2714 3.389 13.953 0.006 1.00 0.59 C ATOM 1421 O TRP B2714 3.836 14.612 0.945 1.00 0.64 O ATOM 1422 CB TRP B2714 1.608 12.204 -0.102 1.00 1.23 C ATOM 1423 CG TRP B2714 1.222 12.349 -1.547 1.00 1.60 C ATOM 1424 CD1 TRP B2714 1.790 11.731 -2.623 1.00 2.29 C ATOM 1425 CD2 TRP B2714 0.196 13.188 -2.066 1.00 1.43 C ATOM 1426 NE1 TRP B2714 1.176 12.140 -3.782 1.00 2.54 N ATOM 1427 CE2 TRP B2714 0.189 13.034 -3.464 1.00 1.99 C ATOM 1428 CE3 TRP B2714 -0.722 14.052 -1.478 1.00 1.04 C ATOM 1429 CZ2 TRP B2714 -0.703 13.720 -4.283 1.00 2.02 C ATOM 1430 CZ3 TRP B2714 -1.605 14.727 -2.287 1.00 1.13 C ATOM 1431 CH2 TRP B2714 -1.593 14.561 -3.675 1.00 1.52 C ATOM 0 H TRP B2714 2.720 12.088 2.182 1.00 0.61 H new ATOM 0 HA TRP B2714 3.687 11.920 -0.572 1.00 0.78 H new ATOM 0 HB2 TRP B2714 1.359 11.197 0.234 1.00 1.23 H new ATOM 0 HB3 TRP B2714 1.014 12.895 0.496 1.00 1.23 H new ATOM 0 HD1 TRP B2714 2.604 11.023 -2.571 1.00 2.29 H new ATOM 0 HE1 TRP B2714 1.416 11.829 -4.723 1.00 2.54 H new ATOM 0 HE3 TRP B2714 -0.741 14.190 -0.407 1.00 1.04 H new ATOM 0 HZ2 TRP B2714 -0.693 13.593 -5.355 1.00 2.02 H new ATOM 0 HZ3 TRP B2714 -2.323 15.399 -1.841 1.00 1.13 H new ATOM 0 HH2 TRP B2714 -2.301 15.108 -4.279 1.00 1.52 H new ATOM 1442 N GLU B2715 3.127 14.466 -1.190 1.00 0.74 N ATOM 1443 CA GLU B2715 3.289 15.874 -1.482 1.00 0.90 C ATOM 1444 C GLU B2715 2.200 16.302 -2.465 1.00 1.00 C ATOM 1445 O GLU B2715 1.995 15.649 -3.486 1.00 1.22 O ATOM 1446 CB GLU B2715 4.678 16.166 -2.057 1.00 1.30 C ATOM 1447 CG GLU B2715 5.692 16.618 -1.016 1.00 1.65 C ATOM 1448 CD GLU B2715 5.372 17.984 -0.439 1.00 2.28 C ATOM 1449 OE1 GLU B2715 5.668 18.995 -1.109 1.00 2.78 O ATOM 1450 OE2 GLU B2715 4.825 18.040 0.681 1.00 2.86 O ATOM 0 H GLU B2715 2.797 13.913 -1.981 1.00 0.74 H new ATOM 0 HA GLU B2715 3.196 16.443 -0.557 1.00 0.90 H new ATOM 0 HB2 GLU B2715 5.053 15.269 -2.550 1.00 1.30 H new ATOM 0 HB3 GLU B2715 4.589 16.937 -2.823 1.00 1.30 H new ATOM 0 HG2 GLU B2715 5.728 15.887 -0.209 1.00 1.65 H new ATOM 0 HG3 GLU B2715 6.684 16.643 -1.468 1.00 1.65 H new ATOM 1457 N LYS B2716 1.510 17.401 -2.164 1.00 1.01 N ATOM 1458 CA LYS B2716 0.431 17.883 -3.028 1.00 1.14 C ATOM 1459 C LYS B2716 0.970 18.676 -4.212 1.00 1.54 C ATOM 1460 O LYS B2716 2.065 19.236 -4.155 1.00 1.82 O ATOM 1461 CB LYS B2716 -0.556 18.744 -2.236 1.00 1.14 C ATOM 1462 CG LYS B2716 -1.777 17.977 -1.740 1.00 1.00 C ATOM 1463 CD LYS B2716 -2.761 17.667 -2.865 1.00 1.13 C ATOM 1464 CE LYS B2716 -3.625 18.871 -3.208 1.00 1.91 C ATOM 1465 NZ LYS B2716 -4.590 19.187 -2.119 1.00 2.12 N ATOM 0 H LYS B2716 1.676 17.972 -1.335 1.00 1.01 H new ATOM 0 HA LYS B2716 -0.088 17.005 -3.413 1.00 1.14 H new ATOM 0 HB2 LYS B2716 -0.039 19.180 -1.381 1.00 1.14 H new ATOM 0 HB3 LYS B2716 -0.888 19.571 -2.863 1.00 1.14 H new ATOM 0 HG2 LYS B2716 -1.454 17.045 -1.275 1.00 1.00 H new ATOM 0 HG3 LYS B2716 -2.281 18.560 -0.969 1.00 1.00 H new ATOM 0 HD2 LYS B2716 -2.211 17.350 -3.751 1.00 1.13 H new ATOM 0 HD3 LYS B2716 -3.399 16.834 -2.570 1.00 1.13 H new ATOM 0 HE2 LYS B2716 -2.987 19.736 -3.391 1.00 1.91 H new ATOM 0 HE3 LYS B2716 -4.170 18.676 -4.132 1.00 1.91 H new ATOM 0 HZ1 LYS B2716 -5.348 19.793 -2.492 1.00 2.12 H new ATOM 0 HZ2 LYS B2716 -5.001 18.305 -1.752 1.00 2.12 H new ATOM 0 HZ3 LYS B2716 -4.096 19.684 -1.351 1.00 2.12 H new ATOM 1479 N LYS B2717 0.187 18.717 -5.284 1.00 1.64 N ATOM 1480 CA LYS B2717 0.569 19.436 -6.489 1.00 2.06 C ATOM 1481 C LYS B2717 -0.263 20.704 -6.656 1.00 2.07 C ATOM 1482 O LYS B2717 -1.446 20.589 -7.043 1.00 1.91 O ATOM 1483 CB LYS B2717 0.409 18.532 -7.712 1.00 2.26 C ATOM 1484 CG LYS B2717 1.696 17.836 -8.123 1.00 2.77 C ATOM 1485 CD LYS B2717 2.730 18.831 -8.631 1.00 3.42 C ATOM 1486 CE LYS B2717 4.110 18.550 -8.057 1.00 4.08 C ATOM 1487 NZ LYS B2717 4.144 18.726 -6.578 1.00 4.44 N ATOM 1488 OXT LYS B2717 0.274 21.802 -6.399 1.00 2.51 O ATOM 0 H LYS B2717 -0.722 18.257 -5.341 1.00 1.64 H new ATOM 0 HA LYS B2717 1.615 19.728 -6.397 1.00 2.06 H new ATOM 0 HB2 LYS B2717 -0.351 17.779 -7.501 1.00 2.26 H new ATOM 0 HB3 LYS B2717 0.044 19.127 -8.549 1.00 2.26 H new ATOM 0 HG2 LYS B2717 2.103 17.289 -7.272 1.00 2.77 H new ATOM 0 HG3 LYS B2717 1.482 17.103 -8.901 1.00 2.77 H new ATOM 0 HD2 LYS B2717 2.773 18.788 -9.719 1.00 3.42 H new ATOM 0 HD3 LYS B2717 2.424 19.842 -8.364 1.00 3.42 H new ATOM 0 HE2 LYS B2717 4.407 17.532 -8.308 1.00 4.08 H new ATOM 0 HE3 LYS B2717 4.838 19.217 -8.519 1.00 4.08 H new ATOM 0 HZ1 LYS B2717 5.131 18.727 -6.251 1.00 4.44 H new ATOM 0 HZ2 LYS B2717 3.695 19.630 -6.326 1.00 4.44 H new ATOM 0 HZ3 LYS B2717 3.629 17.945 -6.124 1.00 4.44 H new TER 1502 LYS B2717