USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 956 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 27 SER OG : rot 64:sc= 1.29 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.857 X(o=0.43,f=0.8) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.0501 (180deg=0) USER MOD Single : A 2 MET CE :methyl 160:sc= -0.124 (180deg=-0.687) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -4.24! C(o=-4.2!,f=-17!) USER MOD Single : A 14 THR OG1 : rot 107:sc= 1.67 USER MOD Single : A 18 SER OG : rot 5:sc= 1.01 USER MOD Single : A 22 GLN : amide:sc= -0.328 K(o=-0.33,f=-1.6) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.217 USER MOD Single : A 24 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-4.4!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.6!) USER MOD Single : A 35 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.5) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= 1.26 (180deg=0.244) USER MOD Single : A 52 THR OG1 : rot 16:sc= 1.76 USER MOD Single : A 55 SER OG : rot 13:sc= 0.152 USER MOD Single : A 63 GLN : amide:sc= -1.73! C(o=-1.7!,f=-6.9!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -165:sc= -0.054 (180deg=-0.367) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -174:sc= 1.21 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= -0.0862 (180deg=-0.571) USER MOD Single : A 82 HIS : no HD1:sc= -2.99! C(o=-3!,f=-4.2!) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -0.995 (180deg=-1.43) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -1.3 USER MOD Single : A 95 MET CE :methyl 152:sc= -0.311 (180deg=-1.08) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.065 USER MOD Single : A 101 LYS NZ :NH3+ -142:sc= 1.16 (180deg=0.7) USER MOD Single : A 102 MET CE :methyl 147:sc= -3.56! (180deg=-5.86!) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0709 F(o=-1.6!,f=-0.071) USER MOD Single : A 111 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.4!) USER MOD Single : A 112 LYS NZ :NH3+ -168:sc=-0.00636 (180deg=-0.117) USER MOD Single : A 115 SER OG : rot 59:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.751 -5.019 -5.755 1.00 6.29 N ATOM 2 CA ALA A 1 19.630 -5.307 -4.831 1.00 5.64 C ATOM 3 C ALA A 1 19.290 -6.804 -4.843 1.00 5.66 C ATOM 4 O ALA A 1 19.511 -7.483 -5.845 1.00 5.80 O ATOM 5 CB ALA A 1 18.414 -4.464 -5.215 1.00 5.37 C ATOM 0 H1 ALA A 1 21.607 -4.802 -5.205 1.00 6.29 H new ATOM 0 H2 ALA A 1 20.927 -5.849 -6.356 1.00 6.29 H new ATOM 0 H3 ALA A 1 20.507 -4.204 -6.353 1.00 6.29 H new ATOM 0 HA ALA A 1 19.929 -5.044 -3.816 1.00 5.64 H new ATOM 0 HB1 ALA A 1 17.592 -4.679 -4.533 1.00 5.37 H new ATOM 0 HB2 ALA A 1 18.670 -3.406 -5.152 1.00 5.37 H new ATOM 0 HB3 ALA A 1 18.112 -4.704 -6.234 1.00 5.37 H new ATOM 13 N MET A 2 18.765 -7.319 -3.721 1.00 5.85 N ATOM 14 CA MET A 2 18.380 -8.736 -3.623 1.00 6.17 C ATOM 15 C MET A 2 17.286 -8.946 -2.562 1.00 5.91 C ATOM 16 O MET A 2 16.166 -9.324 -2.892 1.00 6.19 O ATOM 17 CB MET A 2 19.590 -9.618 -3.309 1.00 6.73 C ATOM 18 CG MET A 2 19.304 -11.107 -3.444 1.00 7.38 C ATOM 19 SD MET A 2 18.840 -11.574 -5.123 1.00 8.14 S ATOM 20 CE MET A 2 20.312 -11.099 -6.026 1.00 8.79 C ATOM 0 H MET A 2 18.598 -6.779 -2.872 1.00 5.85 H new ATOM 0 HA MET A 2 17.980 -9.029 -4.594 1.00 6.17 H new ATOM 0 HB2 MET A 2 20.408 -9.351 -3.978 1.00 6.73 H new ATOM 0 HB3 MET A 2 19.927 -9.411 -2.293 1.00 6.73 H new ATOM 0 HG2 MET A 2 20.187 -11.672 -3.145 1.00 7.38 H new ATOM 0 HG3 MET A 2 18.502 -11.383 -2.759 1.00 7.38 H new ATOM 0 HE1 MET A 2 20.340 -11.627 -6.979 1.00 8.79 H new ATOM 0 HE2 MET A 2 20.297 -10.024 -6.207 1.00 8.79 H new ATOM 0 HE3 MET A 2 21.196 -11.357 -5.442 1.00 8.79 H new ATOM 30 N GLY A 3 17.616 -8.691 -1.296 1.00 5.74 N ATOM 31 CA GLY A 3 16.647 -8.839 -0.215 1.00 5.81 C ATOM 32 C GLY A 3 15.736 -7.644 -0.063 1.00 5.28 C ATOM 33 O GLY A 3 15.066 -7.247 -1.014 1.00 5.54 O ATOM 0 H GLY A 3 18.541 -8.383 -0.997 1.00 5.74 H new ATOM 0 HA2 GLY A 3 16.042 -9.727 -0.397 1.00 5.81 H new ATOM 0 HA3 GLY A 3 17.180 -9.003 0.722 1.00 5.81 H new ATOM 37 N CYS A 4 15.713 -7.049 1.121 1.00 4.84 N ATOM 38 CA CYS A 4 14.821 -5.937 1.361 1.00 4.49 C ATOM 39 C CYS A 4 15.524 -4.778 2.086 1.00 4.00 C ATOM 40 O CYS A 4 16.658 -4.907 2.543 1.00 4.30 O ATOM 41 CB CYS A 4 13.599 -6.409 2.143 1.00 4.71 C ATOM 42 SG CYS A 4 12.071 -5.513 1.720 1.00 5.14 S ATOM 0 H CYS A 4 16.294 -7.316 1.916 1.00 4.84 H new ATOM 0 HA CYS A 4 14.498 -5.553 0.393 1.00 4.49 H new ATOM 0 HB2 CYS A 4 13.449 -7.473 1.959 1.00 4.71 H new ATOM 0 HB3 CYS A 4 13.794 -6.294 3.209 1.00 4.71 H new ATOM 47 N LYS A 5 14.822 -3.651 2.205 1.00 3.56 N ATOM 48 CA LYS A 5 15.400 -2.402 2.693 1.00 3.21 C ATOM 49 C LYS A 5 14.557 -1.820 3.803 1.00 2.60 C ATOM 50 O LYS A 5 13.358 -2.094 3.872 1.00 2.48 O ATOM 51 CB LYS A 5 15.485 -1.399 1.576 1.00 3.31 C ATOM 52 CG LYS A 5 16.816 -0.653 1.506 1.00 3.91 C ATOM 53 CD LYS A 5 16.927 0.438 2.559 1.00 4.47 C ATOM 54 CE LYS A 5 18.155 1.306 2.324 1.00 5.34 C ATOM 55 NZ LYS A 5 18.234 2.435 3.287 1.00 5.99 N ATOM 0 H LYS A 5 13.833 -3.580 1.964 1.00 3.56 H new ATOM 0 HA LYS A 5 16.398 -2.621 3.073 1.00 3.21 H new ATOM 0 HB2 LYS A 5 15.318 -1.912 0.629 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.680 -0.673 1.692 1.00 3.31 H new ATOM 0 HG2 LYS A 5 17.634 -1.362 1.634 1.00 3.91 H new ATOM 0 HG3 LYS A 5 16.930 -0.211 0.516 1.00 3.91 H new ATOM 0 HD2 LYS A 5 16.031 1.058 2.540 1.00 4.47 H new ATOM 0 HD3 LYS A 5 16.981 -0.013 3.550 1.00 4.47 H new ATOM 0 HE2 LYS A 5 19.053 0.694 2.409 1.00 5.34 H new ATOM 0 HE3 LYS A 5 18.132 1.698 1.307 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 19.085 3.000 3.091 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 17.390 3.035 3.189 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 18.282 2.062 4.256 1.00 5.99 H new ATOM 69 N GLU A 6 15.191 -1.039 4.675 1.00 2.54 N ATOM 70 CA GLU A 6 14.484 -0.247 5.647 1.00 2.10 C ATOM 71 C GLU A 6 13.556 0.716 4.923 1.00 1.84 C ATOM 72 O GLU A 6 13.951 1.800 4.488 1.00 2.27 O ATOM 73 CB GLU A 6 15.504 0.488 6.499 1.00 2.49 C ATOM 74 CG GLU A 6 15.025 0.817 7.892 1.00 2.96 C ATOM 75 CD GLU A 6 14.034 1.960 7.930 1.00 3.57 C ATOM 76 OE1 GLU A 6 12.827 1.702 8.109 1.00 4.01 O ATOM 77 OE2 GLU A 6 14.462 3.124 7.790 1.00 3.94 O ATOM 0 H GLU A 6 16.206 -0.946 4.718 1.00 2.54 H new ATOM 0 HA GLU A 6 13.874 -0.873 6.299 1.00 2.10 H new ATOM 0 HB2 GLU A 6 16.406 -0.120 6.571 1.00 2.49 H new ATOM 0 HB3 GLU A 6 15.783 1.413 5.995 1.00 2.49 H new ATOM 0 HG2 GLU A 6 14.564 -0.069 8.329 1.00 2.96 H new ATOM 0 HG3 GLU A 6 15.884 1.069 8.514 1.00 2.96 H new ATOM 84 N ILE A 7 12.323 0.272 4.805 1.00 1.34 N ATOM 85 CA ILE A 7 11.257 0.975 4.116 1.00 1.10 C ATOM 86 C ILE A 7 9.976 0.612 4.861 1.00 0.99 C ATOM 87 O ILE A 7 10.010 -0.293 5.700 1.00 1.30 O ATOM 88 CB ILE A 7 11.135 0.541 2.622 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.445 0.606 1.874 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.152 1.416 1.891 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.791 1.982 1.466 1.00 2.00 C ATOM 0 H ILE A 7 12.023 -0.619 5.199 1.00 1.34 H new ATOM 0 HA ILE A 7 11.453 2.047 4.110 1.00 1.10 H new ATOM 0 HB ILE A 7 10.799 -0.495 2.649 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.240 0.205 2.503 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.388 -0.029 0.990 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.083 1.096 0.851 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.172 1.335 2.362 1.00 1.29 H new ATOM 0 HG23 ILE A 7 10.488 2.452 1.930 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.741 1.975 0.932 1.00 2.00 H new ATOM 0 HD12 ILE A 7 12.011 2.375 0.814 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.877 2.613 2.351 1.00 2.00 H new ATOM 103 N GLU A 8 8.848 1.248 4.573 1.00 0.87 N ATOM 104 CA GLU A 8 7.650 0.963 5.362 1.00 0.93 C ATOM 105 C GLU A 8 6.368 1.336 4.614 1.00 0.86 C ATOM 106 O GLU A 8 6.253 2.463 4.165 1.00 1.29 O ATOM 107 CB GLU A 8 7.765 1.719 6.681 1.00 1.41 C ATOM 108 CG GLU A 8 6.539 1.632 7.545 1.00 1.71 C ATOM 109 CD GLU A 8 6.686 2.398 8.846 1.00 2.31 C ATOM 110 OE1 GLU A 8 6.499 1.798 9.928 1.00 2.70 O ATOM 111 OE2 GLU A 8 6.996 3.607 8.794 1.00 2.71 O ATOM 0 H GLU A 8 8.734 1.938 3.831 1.00 0.87 H new ATOM 0 HA GLU A 8 7.585 -0.109 5.549 1.00 0.93 H new ATOM 0 HB2 GLU A 8 8.617 1.330 7.238 1.00 1.41 H new ATOM 0 HB3 GLU A 8 7.974 2.768 6.470 1.00 1.41 H new ATOM 0 HG2 GLU A 8 5.683 2.020 6.994 1.00 1.71 H new ATOM 0 HG3 GLU A 8 6.328 0.586 7.766 1.00 1.71 H new ATOM 118 N ILE A 9 5.408 0.381 4.502 1.00 0.65 N ATOM 119 CA ILE A 9 4.160 0.580 3.728 1.00 0.68 C ATOM 120 C ILE A 9 3.011 1.074 4.595 1.00 0.53 C ATOM 121 O ILE A 9 2.851 0.617 5.724 1.00 0.68 O ATOM 122 CB ILE A 9 3.621 -0.693 3.002 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.204 -2.004 3.501 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.813 -0.588 1.512 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.351 -2.456 2.685 1.00 1.21 C ATOM 0 H ILE A 9 5.478 -0.537 4.941 1.00 0.65 H new ATOM 0 HA ILE A 9 4.465 1.319 2.987 1.00 0.68 H new ATOM 0 HB ILE A 9 2.559 -0.720 3.245 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.522 -1.886 4.537 1.00 0.93 H new ATOM 0 HG13 ILE A 9 3.429 -2.771 3.491 1.00 0.93 H new ATOM 0 HG21 ILE A 9 3.429 -1.488 1.031 1.00 1.34 H new ATOM 0 HG22 ILE A 9 3.275 0.282 1.136 1.00 1.34 H new ATOM 0 HG23 ILE A 9 4.875 -0.482 1.289 1.00 1.34 H new ATOM 0 HD11 ILE A 9 5.732 -3.397 3.082 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.029 -2.601 1.654 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.139 -1.703 2.716 1.00 1.21 H new ATOM 137 N VAL A 10 2.180 1.985 4.063 1.00 0.51 N ATOM 138 CA VAL A 10 0.926 2.287 4.737 1.00 0.46 C ATOM 139 C VAL A 10 -0.253 2.186 3.783 1.00 0.41 C ATOM 140 O VAL A 10 -0.224 2.708 2.671 1.00 0.44 O ATOM 141 CB VAL A 10 0.922 3.654 5.473 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.822 4.670 4.787 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.508 4.194 5.614 1.00 0.77 C ATOM 0 H VAL A 10 2.351 2.503 3.201 1.00 0.51 H new ATOM 0 HA VAL A 10 0.821 1.526 5.511 1.00 0.46 H new ATOM 0 HB VAL A 10 1.326 3.487 6.471 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.790 5.612 5.334 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.845 4.296 4.769 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.476 4.831 3.766 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.486 5.152 6.133 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.946 4.327 4.625 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.109 3.487 6.185 1.00 0.77 H new ATOM 153 N ILE A 11 -1.268 1.473 4.235 1.00 0.40 N ATOM 154 CA ILE A 11 -2.503 1.326 3.517 1.00 0.40 C ATOM 155 C ILE A 11 -3.633 1.886 4.376 1.00 0.44 C ATOM 156 O ILE A 11 -3.835 1.451 5.511 1.00 0.50 O ATOM 157 CB ILE A 11 -2.770 -0.162 3.184 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.830 -0.665 2.096 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.218 -0.388 2.802 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.859 0.194 0.877 1.00 0.59 C ATOM 0 H ILE A 11 -1.249 0.976 5.125 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.444 1.872 2.576 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.570 -0.740 4.086 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.813 -0.702 2.487 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.105 -1.684 1.825 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.374 -1.442 2.574 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.863 -0.097 3.631 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.461 0.213 1.925 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.172 -0.208 0.132 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.869 0.210 0.467 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.557 1.208 1.139 1.00 0.59 H new ATOM 172 N LYS A 12 -4.312 2.888 3.860 1.00 0.46 N ATOM 173 CA LYS A 12 -5.419 3.512 4.554 1.00 0.52 C ATOM 174 C LYS A 12 -6.725 3.146 3.854 1.00 0.50 C ATOM 175 O LYS A 12 -6.692 2.523 2.805 1.00 0.62 O ATOM 176 CB LYS A 12 -5.203 5.020 4.530 1.00 0.55 C ATOM 177 CG LYS A 12 -5.738 5.735 5.742 1.00 0.72 C ATOM 178 CD LYS A 12 -5.384 7.212 5.685 1.00 1.32 C ATOM 179 CE LYS A 12 -5.933 7.987 6.865 1.00 1.65 C ATOM 180 NZ LYS A 12 -5.488 9.406 6.842 1.00 2.08 N ATOM 0 H LYS A 12 -4.112 3.294 2.946 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.474 3.167 5.586 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.135 5.222 4.443 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.679 5.431 3.639 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.820 5.616 5.794 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -5.324 5.290 6.647 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -4.300 7.321 5.656 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.773 7.640 4.761 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -7.022 7.946 6.853 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -5.607 7.518 7.793 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -5.882 9.907 7.664 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -4.449 9.445 6.878 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -5.821 9.860 5.968 1.00 2.08 H new ATOM 194 N ASN A 13 -7.862 3.477 4.450 1.00 0.55 N ATOM 195 CA ASN A 13 -9.153 3.356 3.768 1.00 0.59 C ATOM 196 C ASN A 13 -10.128 4.359 4.354 1.00 0.58 C ATOM 197 O ASN A 13 -10.244 4.455 5.575 1.00 0.95 O ATOM 198 CB ASN A 13 -9.712 1.946 3.894 1.00 1.01 C ATOM 199 CG ASN A 13 -10.995 1.765 3.125 1.00 2.06 C ATOM 200 OD1 ASN A 13 -10.983 1.465 1.947 1.00 2.81 O ATOM 201 ND2 ASN A 13 -12.115 1.929 3.789 1.00 2.71 N ATOM 0 H ASN A 13 -7.922 3.832 5.404 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.007 3.563 2.708 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.972 1.231 3.534 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.887 1.720 4.946 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -13.011 1.805 3.317 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -12.090 2.181 4.777 1.00 2.71 H new ATOM 208 N THR A 14 -10.828 5.122 3.514 1.00 0.47 N ATOM 209 CA THR A 14 -11.617 6.228 4.059 1.00 0.74 C ATOM 210 C THR A 14 -12.486 6.998 3.058 1.00 0.54 C ATOM 211 O THR A 14 -11.990 7.807 2.293 1.00 0.70 O ATOM 212 CB THR A 14 -10.680 7.231 4.755 1.00 1.38 C ATOM 213 OG1 THR A 14 -11.317 8.502 4.930 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.437 7.390 3.928 1.00 1.78 C ATOM 0 H THR A 14 -10.867 5.005 2.501 1.00 0.47 H new ATOM 0 HA THR A 14 -12.314 5.750 4.747 1.00 0.74 H new ATOM 0 HB THR A 14 -10.427 6.848 5.744 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.551 8.623 5.874 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.766 8.099 4.413 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.938 6.426 3.832 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.703 7.761 2.938 1.00 1.78 H new ATOM 222 N LEU A 15 -13.790 6.750 3.056 1.00 0.49 N ATOM 223 CA LEU A 15 -14.713 7.777 2.613 1.00 0.68 C ATOM 224 C LEU A 15 -15.143 8.569 3.828 1.00 0.84 C ATOM 225 O LEU A 15 -15.243 9.796 3.813 1.00 1.18 O ATOM 226 CB LEU A 15 -15.967 7.247 1.922 1.00 0.88 C ATOM 227 CG LEU A 15 -15.732 6.577 0.596 1.00 0.97 C ATOM 228 CD1 LEU A 15 -14.848 5.409 0.788 1.00 0.90 C ATOM 229 CD2 LEU A 15 -17.037 6.184 -0.072 1.00 1.39 C ATOM 0 H LEU A 15 -14.219 5.872 3.348 1.00 0.49 H new ATOM 0 HA LEU A 15 -14.184 8.377 1.873 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -16.457 6.537 2.588 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.659 8.076 1.775 1.00 0.88 H new ATOM 0 HG LEU A 15 -15.243 7.285 -0.073 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -14.676 4.921 -0.172 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -13.896 5.738 1.204 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -15.319 4.705 1.474 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -16.826 5.703 -1.027 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -17.581 5.492 0.571 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -17.642 7.075 -0.240 1.00 1.39 H new ATOM 241 N GLY A 16 -15.388 7.814 4.885 1.00 0.72 N ATOM 242 CA GLY A 16 -15.840 8.347 6.141 1.00 0.87 C ATOM 243 C GLY A 16 -16.132 7.218 7.104 1.00 0.77 C ATOM 244 O GLY A 16 -15.655 6.103 6.882 1.00 1.27 O ATOM 0 H GLY A 16 -15.274 6.800 4.886 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.081 9.007 6.560 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.736 8.948 5.989 1.00 0.87 H new ATOM 248 N PRO A 17 -16.918 7.467 8.163 1.00 0.67 N ATOM 249 CA PRO A 17 -17.178 6.487 9.230 1.00 0.76 C ATOM 250 C PRO A 17 -17.494 5.077 8.721 1.00 0.88 C ATOM 251 O PRO A 17 -18.349 4.895 7.857 1.00 1.27 O ATOM 252 CB PRO A 17 -18.392 7.076 9.943 1.00 1.02 C ATOM 253 CG PRO A 17 -18.251 8.545 9.760 1.00 1.42 C ATOM 254 CD PRO A 17 -17.630 8.737 8.404 1.00 1.13 C ATOM 0 HA PRO A 17 -16.299 6.347 9.859 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.323 6.709 9.511 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.402 6.806 10.999 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.220 9.040 9.819 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -17.625 8.977 10.541 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.385 8.924 7.640 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -16.948 9.587 8.393 1.00 1.13 H new ATOM 262 N SER A 18 -16.770 4.097 9.267 1.00 1.06 N ATOM 263 CA SER A 18 -16.966 2.665 8.989 1.00 1.31 C ATOM 264 C SER A 18 -16.816 2.313 7.504 1.00 1.10 C ATOM 265 O SER A 18 -17.494 1.422 6.993 1.00 1.50 O ATOM 266 CB SER A 18 -18.313 2.161 9.542 1.00 1.75 C ATOM 267 OG SER A 18 -19.428 2.804 8.941 1.00 2.18 O ATOM 0 H SER A 18 -16.015 4.276 9.929 1.00 1.06 H new ATOM 0 HA SER A 18 -16.164 2.146 9.514 1.00 1.31 H new ATOM 0 HB2 SER A 18 -18.388 1.086 9.380 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.342 2.324 10.619 1.00 1.75 H new ATOM 0 HG SER A 18 -19.117 3.397 8.225 1.00 2.18 H new ATOM 273 N ARG A 19 -15.936 3.019 6.808 1.00 0.81 N ATOM 274 CA ARG A 19 -15.478 2.564 5.503 1.00 0.66 C ATOM 275 C ARG A 19 -14.272 1.671 5.722 1.00 0.64 C ATOM 276 O ARG A 19 -13.229 2.146 6.174 1.00 1.02 O ATOM 277 CB ARG A 19 -15.112 3.736 4.574 1.00 0.68 C ATOM 278 CG ARG A 19 -16.263 4.308 3.766 1.00 1.15 C ATOM 279 CD ARG A 19 -17.437 4.777 4.615 1.00 1.94 C ATOM 280 NE ARG A 19 -18.349 3.693 4.980 1.00 2.51 N ATOM 281 CZ ARG A 19 -19.654 3.867 5.198 1.00 3.32 C ATOM 282 NH1 ARG A 19 -20.197 5.073 5.070 1.00 3.76 N ATOM 283 NH2 ARG A 19 -20.412 2.834 5.542 1.00 3.99 N ATOM 0 H ARG A 19 -15.528 3.900 7.121 1.00 0.81 H new ATOM 0 HA ARG A 19 -16.285 2.020 5.012 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.681 4.535 5.177 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -14.336 3.403 3.885 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -15.897 5.147 3.174 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -16.614 3.551 3.064 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -17.057 5.246 5.523 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.990 5.541 4.069 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.966 2.752 5.073 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -19.616 5.868 4.805 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -21.195 5.203 5.237 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.997 1.907 5.640 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -21.410 2.967 5.709 1.00 3.99 H new ATOM 297 N ILE A 20 -14.413 0.382 5.435 1.00 0.52 N ATOM 298 CA ILE A 20 -13.362 -0.582 5.747 1.00 0.51 C ATOM 299 C ILE A 20 -13.139 -1.569 4.602 1.00 0.54 C ATOM 300 O ILE A 20 -14.049 -2.303 4.218 1.00 0.76 O ATOM 301 CB ILE A 20 -13.701 -1.368 7.033 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.261 -0.404 8.082 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.482 -2.111 7.553 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.743 -0.602 9.479 1.00 0.83 C ATOM 0 H ILE A 20 -15.239 -0.019 4.990 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.446 -0.011 5.898 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.459 -2.118 6.808 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.037 0.616 7.770 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.347 -0.501 8.098 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.747 -2.656 8.459 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.133 -2.813 6.796 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.690 -1.397 7.778 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.201 0.130 10.144 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.991 -1.607 9.820 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -12.661 -0.473 9.487 1.00 0.83 H new ATOM 316 N LEU A 21 -11.926 -1.570 4.063 1.00 0.50 N ATOM 317 CA LEU A 21 -11.529 -2.529 3.035 1.00 0.55 C ATOM 318 C LEU A 21 -10.542 -3.520 3.606 1.00 0.52 C ATOM 319 O LEU A 21 -9.958 -3.282 4.661 1.00 0.75 O ATOM 320 CB LEU A 21 -10.896 -1.842 1.821 1.00 0.72 C ATOM 321 CG LEU A 21 -11.875 -1.190 0.849 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.138 -0.724 -0.389 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.990 -2.149 0.472 1.00 2.20 C ATOM 0 H LEU A 21 -11.192 -0.911 4.323 1.00 0.50 H new ATOM 0 HA LEU A 21 -12.434 -3.040 2.706 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -10.203 -1.080 2.177 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -10.306 -2.579 1.276 1.00 0.72 H new ATOM 0 HG LEU A 21 -12.327 -0.329 1.341 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.843 -0.260 -1.079 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.375 0.001 -0.107 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -10.665 -1.578 -0.874 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -13.673 -1.658 -0.221 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.564 -3.033 -0.002 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -13.534 -2.445 1.369 1.00 2.20 H new ATOM 335 N GLN A 22 -10.378 -4.637 2.926 1.00 0.47 N ATOM 336 CA GLN A 22 -9.418 -5.629 3.314 1.00 0.47 C ATOM 337 C GLN A 22 -8.329 -5.714 2.244 1.00 0.42 C ATOM 338 O GLN A 22 -8.594 -6.099 1.105 1.00 0.51 O ATOM 339 CB GLN A 22 -10.138 -6.959 3.488 1.00 0.60 C ATOM 340 CG GLN A 22 -9.237 -8.076 3.936 1.00 0.71 C ATOM 341 CD GLN A 22 -9.962 -9.406 4.001 1.00 0.97 C ATOM 342 OE1 GLN A 22 -10.880 -9.662 3.224 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.578 -10.252 4.941 1.00 1.34 N ATOM 0 H GLN A 22 -10.911 -4.875 2.089 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.943 -5.367 4.259 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.940 -6.836 4.216 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.605 -7.237 2.543 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -8.393 -8.157 3.250 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.828 -7.839 4.918 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -8.812 -10.005 5.568 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.048 -11.152 5.040 1.00 1.34 H new ATOM 352 N TYR A 23 -7.114 -5.338 2.605 1.00 0.42 N ATOM 353 CA TYR A 23 -6.020 -5.256 1.644 1.00 0.42 C ATOM 354 C TYR A 23 -5.067 -6.423 1.890 1.00 0.41 C ATOM 355 O TYR A 23 -5.066 -7.001 2.978 1.00 0.49 O ATOM 356 CB TYR A 23 -5.288 -3.913 1.778 1.00 0.52 C ATOM 357 CG TYR A 23 -4.276 -3.901 2.893 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.676 -3.881 4.218 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.926 -3.899 2.612 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.746 -3.863 5.240 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.987 -3.881 3.619 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.427 -3.893 4.960 1.00 0.63 C ATOM 363 OH TYR A 23 -1.464 -3.848 5.944 1.00 0.74 O ATOM 0 H TYR A 23 -6.857 -5.083 3.559 1.00 0.42 H new ATOM 0 HA TYR A 23 -6.413 -5.316 0.629 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.787 -3.684 0.838 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -6.019 -3.123 1.950 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.729 -3.879 4.456 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.599 -3.912 1.583 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.077 -3.825 6.267 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.933 -3.858 3.387 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.813 -4.260 6.762 1.00 0.74 H new ATOM 373 N HIS A 24 -4.275 -6.789 0.899 1.00 0.50 N ATOM 374 CA HIS A 24 -3.319 -7.873 1.070 1.00 0.57 C ATOM 375 C HIS A 24 -1.996 -7.538 0.396 1.00 0.60 C ATOM 376 O HIS A 24 -1.830 -7.764 -0.794 1.00 0.58 O ATOM 377 CB HIS A 24 -3.901 -9.165 0.476 1.00 0.61 C ATOM 378 CG HIS A 24 -3.055 -10.390 0.671 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.873 -10.397 1.384 1.00 0.75 N ATOM 380 CD2 HIS A 24 -3.246 -11.665 0.253 1.00 0.85 C ATOM 381 CE1 HIS A 24 -1.379 -11.623 1.397 1.00 0.88 C ATOM 382 NE2 HIS A 24 -2.191 -12.412 0.719 1.00 0.94 N ATOM 0 H HIS A 24 -4.272 -6.358 -0.025 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.132 -8.012 2.135 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.880 -9.343 0.921 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -4.059 -9.017 -0.592 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -4.075 -12.027 -0.337 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.463 -11.928 1.882 1.00 0.88 H new ATOM 0 HE2 HIS A 24 -2.057 -13.412 0.566 1.00 0.94 H new ATOM 391 N CYS A 25 -1.049 -7.021 1.164 1.00 0.71 N ATOM 392 CA CYS A 25 0.284 -6.761 0.642 1.00 0.74 C ATOM 393 C CYS A 25 1.209 -7.951 0.865 1.00 0.91 C ATOM 394 O CYS A 25 1.449 -8.365 1.993 1.00 1.01 O ATOM 395 CB CYS A 25 0.859 -5.484 1.251 1.00 0.79 C ATOM 396 SG CYS A 25 1.925 -4.564 0.098 1.00 1.12 S ATOM 0 H CYS A 25 -1.177 -6.774 2.145 1.00 0.71 H new ATOM 0 HA CYS A 25 0.204 -6.614 -0.435 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.040 -4.840 1.572 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.432 -5.739 2.142 1.00 0.79 H new ATOM 401 N ARG A 26 1.661 -8.537 -0.237 1.00 1.14 N ATOM 402 CA ARG A 26 2.510 -9.722 -0.199 1.00 1.38 C ATOM 403 C ARG A 26 3.263 -9.897 -1.497 1.00 1.87 C ATOM 404 O ARG A 26 2.661 -10.016 -2.561 1.00 2.24 O ATOM 405 CB ARG A 26 1.722 -10.981 0.166 1.00 1.45 C ATOM 406 CG ARG A 26 2.402 -12.301 -0.200 1.00 2.13 C ATOM 407 CD ARG A 26 2.046 -12.759 -1.608 1.00 2.66 C ATOM 408 NE ARG A 26 2.902 -13.850 -2.068 1.00 3.26 N ATOM 409 CZ ARG A 26 3.517 -13.869 -3.253 1.00 4.00 C ATOM 410 NH1 ARG A 26 3.372 -12.858 -4.104 1.00 4.21 N ATOM 411 NH2 ARG A 26 4.271 -14.904 -3.589 1.00 4.86 N ATOM 0 H ARG A 26 1.451 -8.206 -1.179 1.00 1.14 H new ATOM 0 HA ARG A 26 3.243 -9.567 0.593 1.00 1.38 H new ATOM 0 HB2 ARG A 26 1.532 -10.973 1.239 1.00 1.45 H new ATOM 0 HB3 ARG A 26 0.752 -10.940 -0.330 1.00 1.45 H new ATOM 0 HG2 ARG A 26 3.483 -12.186 -0.119 1.00 2.13 H new ATOM 0 HG3 ARG A 26 2.109 -13.069 0.515 1.00 2.13 H new ATOM 0 HD2 ARG A 26 1.005 -13.082 -1.631 1.00 2.66 H new ATOM 0 HD3 ARG A 26 2.133 -11.917 -2.295 1.00 2.66 H new ATOM 0 HE ARG A 26 3.038 -14.646 -1.445 1.00 3.26 H new ATOM 0 HH11 ARG A 26 2.788 -12.060 -3.854 1.00 4.21 H new ATOM 0 HH12 ARG A 26 3.845 -12.880 -5.007 1.00 4.21 H new ATOM 0 HH21 ARG A 26 4.381 -15.686 -2.943 1.00 4.86 H new ATOM 0 HH22 ARG A 26 4.741 -14.920 -4.494 1.00 4.86 H new ATOM 425 N SER A 27 4.563 -9.861 -1.388 1.00 2.10 N ATOM 426 CA SER A 27 5.480 -10.210 -2.472 1.00 2.66 C ATOM 427 C SER A 27 6.902 -10.116 -1.952 1.00 2.39 C ATOM 428 O SER A 27 7.126 -9.640 -0.837 1.00 2.70 O ATOM 429 CB SER A 27 5.296 -9.352 -3.740 1.00 3.73 C ATOM 430 OG SER A 27 4.237 -9.834 -4.549 1.00 4.43 O ATOM 0 H SER A 27 5.038 -9.584 -0.529 1.00 2.10 H new ATOM 0 HA SER A 27 5.253 -11.230 -2.784 1.00 2.66 H new ATOM 0 HB2 SER A 27 5.095 -8.319 -3.455 1.00 3.73 H new ATOM 0 HB3 SER A 27 6.222 -9.350 -4.315 1.00 3.73 H new ATOM 0 HG SER A 27 3.391 -9.759 -4.060 1.00 4.43 H new ATOM 436 N GLY A 28 7.853 -10.598 -2.724 1.00 2.45 N ATOM 437 CA GLY A 28 9.240 -10.413 -2.366 1.00 2.54 C ATOM 438 C GLY A 28 9.773 -11.557 -1.533 1.00 2.68 C ATOM 439 O GLY A 28 10.725 -12.224 -1.938 1.00 3.22 O ATOM 0 H GLY A 28 7.694 -11.113 -3.590 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.838 -10.317 -3.272 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.349 -9.481 -1.812 1.00 2.54 H new ATOM 443 N ASN A 29 9.143 -11.804 -0.384 1.00 2.60 N ATOM 444 CA ASN A 29 9.586 -12.869 0.516 1.00 2.96 C ATOM 445 C ASN A 29 8.700 -12.960 1.757 1.00 2.76 C ATOM 446 O ASN A 29 8.469 -14.047 2.290 1.00 3.04 O ATOM 447 CB ASN A 29 11.041 -12.635 0.944 1.00 3.49 C ATOM 448 CG ASN A 29 11.592 -13.750 1.812 1.00 4.17 C ATOM 449 OD1 ASN A 29 11.513 -13.696 3.040 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.161 -14.764 1.181 1.00 4.63 N ATOM 0 H ASN A 29 8.329 -11.284 -0.056 1.00 2.60 H new ATOM 0 HA ASN A 29 9.511 -13.810 -0.030 1.00 2.96 H new ATOM 0 HB2 ASN A 29 11.663 -12.533 0.055 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.106 -11.693 1.488 1.00 3.49 H new ATOM 0 HD21 ASN A 29 12.555 -15.540 1.713 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.206 -14.770 0.162 1.00 4.63 H new ATOM 457 N THR A 30 8.190 -11.823 2.207 1.00 2.45 N ATOM 458 CA THR A 30 7.490 -11.765 3.478 1.00 2.33 C ATOM 459 C THR A 30 5.977 -11.663 3.288 1.00 2.07 C ATOM 460 O THR A 30 5.493 -10.886 2.461 1.00 2.10 O ATOM 461 CB THR A 30 7.995 -10.573 4.304 1.00 2.45 C ATOM 462 OG1 THR A 30 9.102 -9.958 3.628 1.00 2.93 O ATOM 463 CG2 THR A 30 8.438 -11.023 5.685 1.00 2.70 C ATOM 0 H THR A 30 8.248 -10.933 1.712 1.00 2.45 H new ATOM 0 HA THR A 30 7.697 -12.693 4.011 1.00 2.33 H new ATOM 0 HB THR A 30 7.180 -9.858 4.414 1.00 2.45 H new ATOM 0 HG1 THR A 30 9.424 -9.196 4.154 1.00 2.93 H new ATOM 0 HG21 THR A 30 8.792 -10.162 6.252 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.597 -11.480 6.206 1.00 2.70 H new ATOM 0 HG23 THR A 30 9.244 -11.751 5.589 1.00 2.70 H new ATOM 471 N ASN A 31 5.236 -12.453 4.061 1.00 1.97 N ATOM 472 CA ASN A 31 3.783 -12.501 3.941 1.00 1.75 C ATOM 473 C ASN A 31 3.105 -11.990 5.208 1.00 1.78 C ATOM 474 O ASN A 31 2.814 -12.759 6.127 1.00 2.34 O ATOM 475 CB ASN A 31 3.304 -13.930 3.658 1.00 2.09 C ATOM 476 CG ASN A 31 3.642 -14.416 2.262 1.00 2.43 C ATOM 477 OD1 ASN A 31 4.652 -14.030 1.677 1.00 2.89 O ATOM 478 ND2 ASN A 31 2.790 -15.266 1.712 1.00 2.98 N ATOM 0 H ASN A 31 5.619 -13.069 4.778 1.00 1.97 H new ATOM 0 HA ASN A 31 3.509 -11.855 3.107 1.00 1.75 H new ATOM 0 HB2 ASN A 31 3.751 -14.606 4.387 1.00 2.09 H new ATOM 0 HB3 ASN A 31 2.224 -13.977 3.799 1.00 2.09 H new ATOM 0 HD21 ASN A 31 2.961 -15.623 0.772 1.00 2.98 H new ATOM 0 HD22 ASN A 31 1.962 -15.564 2.228 1.00 2.98 H new ATOM 485 N VAL A 32 2.867 -10.687 5.252 1.00 1.39 N ATOM 486 CA VAL A 32 2.098 -10.063 6.326 1.00 1.52 C ATOM 487 C VAL A 32 1.137 -9.064 5.690 1.00 1.38 C ATOM 488 O VAL A 32 1.307 -7.851 5.807 1.00 2.10 O ATOM 489 CB VAL A 32 3.003 -9.329 7.349 1.00 2.13 C ATOM 490 CG1 VAL A 32 2.213 -8.933 8.586 1.00 2.68 C ATOM 491 CG2 VAL A 32 4.205 -10.179 7.735 1.00 2.64 C ATOM 0 H VAL A 32 3.200 -10.031 4.546 1.00 1.39 H new ATOM 0 HA VAL A 32 1.565 -10.841 6.873 1.00 1.52 H new ATOM 0 HB VAL A 32 3.372 -8.422 6.870 1.00 2.13 H new ATOM 0 HG11 VAL A 32 2.870 -8.420 9.288 1.00 2.68 H new ATOM 0 HG12 VAL A 32 1.398 -8.269 8.300 1.00 2.68 H new ATOM 0 HG13 VAL A 32 1.804 -9.826 9.058 1.00 2.68 H new ATOM 0 HG21 VAL A 32 4.819 -9.636 8.453 1.00 2.64 H new ATOM 0 HG22 VAL A 32 3.862 -11.112 8.183 1.00 2.64 H new ATOM 0 HG23 VAL A 32 4.796 -10.399 6.846 1.00 2.64 H new ATOM 501 N GLY A 33 0.135 -9.587 4.998 1.00 1.00 N ATOM 502 CA GLY A 33 -0.612 -8.767 4.073 1.00 1.43 C ATOM 503 C GLY A 33 -2.059 -8.516 4.433 1.00 0.99 C ATOM 504 O GLY A 33 -2.533 -7.393 4.284 1.00 1.13 O ATOM 0 H GLY A 33 -0.171 -10.558 5.061 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.108 -7.805 3.982 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.579 -9.238 3.091 1.00 1.43 H new ATOM 508 N VAL A 34 -2.773 -9.539 4.877 1.00 0.80 N ATOM 509 CA VAL A 34 -4.224 -9.433 4.980 1.00 0.56 C ATOM 510 C VAL A 34 -4.677 -8.778 6.277 1.00 0.63 C ATOM 511 O VAL A 34 -4.637 -9.386 7.352 1.00 1.03 O ATOM 512 CB VAL A 34 -4.931 -10.790 4.848 1.00 0.89 C ATOM 513 CG1 VAL A 34 -6.431 -10.572 4.740 1.00 1.17 C ATOM 514 CG2 VAL A 34 -4.410 -11.560 3.651 1.00 1.06 C ATOM 0 H VAL A 34 -2.383 -10.436 5.167 1.00 0.80 H new ATOM 0 HA VAL A 34 -4.510 -8.799 4.141 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.721 -11.385 5.737 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.933 -11.535 4.646 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.790 -10.061 5.634 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -6.648 -9.963 3.862 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.927 -12.517 3.581 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -4.587 -10.984 2.743 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.340 -11.734 3.768 1.00 1.06 H new ATOM 524 N GLN A 35 -5.111 -7.537 6.152 1.00 0.63 N ATOM 525 CA GLN A 35 -5.724 -6.795 7.234 1.00 0.85 C ATOM 526 C GLN A 35 -6.750 -5.835 6.672 1.00 0.70 C ATOM 527 O GLN A 35 -6.825 -5.633 5.458 1.00 0.82 O ATOM 528 CB GLN A 35 -4.665 -6.048 8.042 1.00 1.45 C ATOM 529 CG GLN A 35 -4.026 -6.921 9.099 1.00 2.06 C ATOM 530 CD GLN A 35 -3.065 -6.175 10.002 1.00 2.71 C ATOM 531 OE1 GLN A 35 -2.399 -5.229 9.583 1.00 3.16 O ATOM 532 NE2 GLN A 35 -2.988 -6.594 11.255 1.00 3.28 N ATOM 0 H GLN A 35 -5.046 -7.010 5.281 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.224 -7.492 7.906 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.894 -5.674 7.368 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -5.120 -5.180 8.518 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -4.809 -7.371 9.709 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -3.493 -7.737 8.611 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -3.556 -7.382 11.565 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -2.360 -6.129 11.911 1.00 3.28 H new ATOM 541 N TYR A 36 -7.555 -5.263 7.545 1.00 0.78 N ATOM 542 CA TYR A 36 -8.584 -4.336 7.117 1.00 0.73 C ATOM 543 C TYR A 36 -8.224 -2.920 7.516 1.00 0.78 C ATOM 544 O TYR A 36 -7.447 -2.706 8.449 1.00 1.06 O ATOM 545 CB TYR A 36 -9.940 -4.707 7.675 1.00 0.94 C ATOM 546 CG TYR A 36 -9.962 -4.729 9.158 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.582 -5.855 9.839 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.367 -3.623 9.859 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.606 -5.888 11.216 1.00 3.04 C ATOM 550 CE2 TYR A 36 -10.398 -3.627 11.231 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.017 -4.766 11.913 1.00 3.57 C ATOM 552 OH TYR A 36 -10.045 -4.782 13.288 1.00 4.60 O ATOM 0 H TYR A 36 -7.517 -5.423 8.552 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.644 -4.395 6.030 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.683 -3.996 7.315 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.228 -5.688 7.297 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.260 -6.727 9.290 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -10.666 -2.734 9.323 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.307 -6.780 11.746 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -10.717 -2.748 11.772 1.00 3.13 H new ATOM 0 HH TYR A 36 -10.357 -3.914 13.619 1.00 4.60 H new ATOM 562 N LEU A 37 -8.794 -1.960 6.817 1.00 0.72 N ATOM 563 CA LEU A 37 -8.483 -0.565 7.054 1.00 0.89 C ATOM 564 C LEU A 37 -9.730 0.174 7.484 1.00 0.70 C ATOM 565 O LEU A 37 -10.667 0.316 6.699 1.00 0.61 O ATOM 566 CB LEU A 37 -7.947 0.122 5.793 1.00 1.23 C ATOM 567 CG LEU A 37 -6.843 -0.576 5.011 1.00 1.93 C ATOM 568 CD1 LEU A 37 -5.775 -1.113 5.937 1.00 2.72 C ATOM 569 CD2 LEU A 37 -7.402 -1.671 4.116 1.00 2.57 C ATOM 0 H LEU A 37 -9.478 -2.121 6.077 1.00 0.72 H new ATOM 0 HA LEU A 37 -7.719 -0.536 7.831 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -8.787 0.279 5.116 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.580 1.107 6.080 1.00 1.23 H new ATOM 0 HG LEU A 37 -6.377 0.167 4.363 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -5.000 -1.606 5.351 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -5.335 -0.290 6.501 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -6.219 -1.830 6.628 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.587 -2.148 3.572 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -7.915 -2.414 4.727 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -8.106 -1.237 3.406 1.00 2.57 H new ATOM 581 N ASN A 38 -9.748 0.644 8.714 1.00 0.78 N ATOM 582 CA ASN A 38 -10.862 1.443 9.180 1.00 0.73 C ATOM 583 C ASN A 38 -10.703 2.865 8.707 1.00 0.68 C ATOM 584 O ASN A 38 -9.635 3.262 8.237 1.00 0.75 O ATOM 585 CB ASN A 38 -10.991 1.418 10.704 1.00 0.94 C ATOM 586 CG ASN A 38 -9.762 1.947 11.423 1.00 1.62 C ATOM 587 OD1 ASN A 38 -9.672 3.137 11.727 1.00 2.32 O ATOM 588 ND2 ASN A 38 -8.812 1.068 11.709 1.00 2.29 N ATOM 0 H ASN A 38 -9.012 0.489 9.403 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.772 1.011 8.765 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -11.857 2.011 10.997 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -11.180 0.395 11.028 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -7.969 1.369 12.198 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -8.924 0.090 11.440 1.00 2.29 H new ATOM 595 N PHE A 39 -11.763 3.629 8.843 1.00 0.68 N ATOM 596 CA PHE A 39 -11.750 5.015 8.406 1.00 0.72 C ATOM 597 C PHE A 39 -10.738 5.817 9.211 1.00 0.83 C ATOM 598 O PHE A 39 -10.789 5.829 10.443 1.00 1.66 O ATOM 599 CB PHE A 39 -13.142 5.629 8.501 1.00 0.85 C ATOM 600 CG PHE A 39 -13.154 7.134 8.574 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.796 7.885 7.464 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.520 7.800 9.739 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.802 9.264 7.510 1.00 1.80 C ATOM 604 CE2 PHE A 39 -13.524 9.181 9.786 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.189 9.910 8.743 1.00 2.03 C ATOM 0 H PHE A 39 -12.645 3.319 9.251 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.448 5.043 7.359 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.725 5.315 7.635 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.642 5.230 9.384 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.509 7.384 6.552 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -13.803 7.233 10.614 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.524 9.847 6.644 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -13.810 9.675 10.703 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.203 10.988 8.808 1.00 2.03 H new ATOM 615 N LYS A 40 -9.798 6.437 8.488 1.00 0.86 N ATOM 616 CA LYS A 40 -8.734 7.265 9.069 1.00 0.97 C ATOM 617 C LYS A 40 -7.625 6.404 9.670 1.00 0.72 C ATOM 618 O LYS A 40 -6.489 6.854 9.834 1.00 1.17 O ATOM 619 CB LYS A 40 -9.279 8.218 10.129 1.00 1.52 C ATOM 620 CG LYS A 40 -8.280 9.280 10.558 1.00 2.18 C ATOM 621 CD LYS A 40 -8.859 10.220 11.601 1.00 2.89 C ATOM 622 CE LYS A 40 -10.026 11.023 11.051 1.00 3.36 C ATOM 623 NZ LYS A 40 -10.512 12.023 12.032 1.00 3.76 N ATOM 0 H LYS A 40 -9.754 6.377 7.471 1.00 0.86 H new ATOM 0 HA LYS A 40 -8.316 7.857 8.255 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -10.173 8.706 9.742 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -9.583 7.642 11.003 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -7.389 8.798 10.960 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -7.966 9.855 9.687 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -9.189 9.644 12.466 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -8.082 10.900 11.949 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -9.720 11.530 10.136 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -10.840 10.348 10.785 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -11.308 12.552 11.623 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -10.827 11.537 12.896 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -9.742 12.682 12.266 1.00 3.76 H new ATOM 637 N GLY A 41 -7.951 5.165 9.977 1.00 0.71 N ATOM 638 CA GLY A 41 -7.001 4.283 10.594 1.00 1.13 C ATOM 639 C GLY A 41 -6.080 3.647 9.584 1.00 0.94 C ATOM 640 O GLY A 41 -6.492 2.803 8.788 1.00 1.09 O ATOM 0 H GLY A 41 -8.868 4.753 9.807 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.411 4.839 11.323 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -7.532 3.504 11.141 1.00 1.13 H new ATOM 644 N THR A 42 -4.836 4.069 9.614 1.00 0.82 N ATOM 645 CA THR A 42 -3.818 3.534 8.735 1.00 0.68 C ATOM 646 C THR A 42 -3.336 2.186 9.233 1.00 0.65 C ATOM 647 O THR A 42 -3.271 1.946 10.437 1.00 0.75 O ATOM 648 CB THR A 42 -2.632 4.497 8.645 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.476 5.194 9.888 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.832 5.487 7.516 1.00 0.71 C ATOM 0 H THR A 42 -4.500 4.793 10.249 1.00 0.82 H new ATOM 0 HA THR A 42 -4.258 3.410 7.745 1.00 0.68 H new ATOM 0 HB THR A 42 -1.730 3.920 8.441 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.715 5.808 9.826 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.978 6.163 7.469 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.922 4.949 6.572 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.741 6.063 7.693 1.00 0.71 H new ATOM 658 N ARG A 43 -3.000 1.313 8.308 1.00 0.58 N ATOM 659 CA ARG A 43 -2.502 0.003 8.652 1.00 0.58 C ATOM 660 C ARG A 43 -1.107 -0.115 8.095 1.00 0.52 C ATOM 661 O ARG A 43 -0.917 -0.198 6.879 1.00 0.50 O ATOM 662 CB ARG A 43 -3.406 -1.076 8.083 1.00 0.67 C ATOM 663 CG ARG A 43 -3.249 -2.435 8.747 1.00 0.86 C ATOM 664 CD ARG A 43 -3.936 -2.482 10.108 1.00 1.27 C ATOM 665 NE ARG A 43 -3.294 -1.607 11.092 1.00 1.59 N ATOM 666 CZ ARG A 43 -3.949 -0.744 11.871 1.00 2.26 C ATOM 667 NH1 ARG A 43 -5.266 -0.615 11.772 1.00 2.74 N ATOM 668 NH2 ARG A 43 -3.280 -0.005 12.745 1.00 3.01 N ATOM 0 H ARG A 43 -3.064 1.491 7.306 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.486 -0.128 9.734 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -4.443 -0.754 8.180 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -3.203 -1.179 7.017 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.669 -3.206 8.101 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -2.189 -2.661 8.866 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -4.980 -2.191 9.994 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -3.930 -3.507 10.479 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.280 -1.661 11.188 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -5.784 -1.178 11.097 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -5.760 0.047 12.371 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -2.267 -0.097 12.821 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -3.778 0.655 13.342 1.00 3.01 H new ATOM 682 N ILE A 44 -0.129 -0.097 8.974 1.00 0.52 N ATOM 683 CA ILE A 44 1.231 0.087 8.538 1.00 0.51 C ATOM 684 C ILE A 44 2.076 -1.151 8.714 1.00 0.58 C ATOM 685 O ILE A 44 2.181 -1.724 9.800 1.00 0.66 O ATOM 686 CB ILE A 44 1.905 1.273 9.241 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.084 2.533 9.038 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.285 1.490 8.674 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.088 2.810 10.142 1.00 0.61 C ATOM 0 H ILE A 44 -0.250 -0.206 9.981 1.00 0.52 H new ATOM 0 HA ILE A 44 1.165 0.300 7.471 1.00 0.51 H new ATOM 0 HB ILE A 44 1.976 1.051 10.306 1.00 0.53 H new ATOM 0 HG12 ILE A 44 1.760 3.384 8.952 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.548 2.455 8.092 1.00 0.56 H new ATOM 0 HG21 ILE A 44 3.757 2.333 9.178 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.886 0.594 8.826 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.211 1.700 7.607 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.456 3.728 9.919 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.615 1.980 10.215 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.616 2.923 11.089 1.00 0.61 H new ATOM 701 N ILE A 45 2.646 -1.557 7.609 1.00 0.61 N ATOM 702 CA ILE A 45 3.604 -2.623 7.555 1.00 0.74 C ATOM 703 C ILE A 45 5.002 -2.078 7.487 1.00 0.77 C ATOM 704 O ILE A 45 5.227 -1.016 6.918 1.00 0.79 O ATOM 705 CB ILE A 45 3.372 -3.423 6.319 1.00 0.95 C ATOM 706 CG1 ILE A 45 1.988 -3.916 6.331 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.352 -4.563 6.166 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.595 -4.402 4.984 1.00 1.20 C ATOM 0 H ILE A 45 2.449 -1.142 6.699 1.00 0.61 H new ATOM 0 HA ILE A 45 3.489 -3.233 8.451 1.00 0.74 H new ATOM 0 HB ILE A 45 3.533 -2.775 5.457 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.890 -4.723 7.058 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.315 -3.119 6.647 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.134 -5.110 5.249 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.366 -4.167 6.120 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.263 -5.236 7.019 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.567 -4.763 5.013 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.673 -3.586 4.266 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.256 -5.214 4.683 1.00 1.20 H new ATOM 720 N LYS A 46 5.945 -2.814 8.009 1.00 0.90 N ATOM 721 CA LYS A 46 7.325 -2.409 7.873 1.00 0.97 C ATOM 722 C LYS A 46 8.269 -3.593 7.983 1.00 1.10 C ATOM 723 O LYS A 46 7.920 -4.624 8.551 1.00 1.20 O ATOM 724 CB LYS A 46 7.699 -1.354 8.918 1.00 1.10 C ATOM 725 CG LYS A 46 7.930 -1.907 10.314 1.00 1.35 C ATOM 726 CD LYS A 46 8.390 -0.814 11.259 1.00 1.85 C ATOM 727 CE LYS A 46 8.591 -1.337 12.668 1.00 2.11 C ATOM 728 NZ LYS A 46 9.040 -0.263 13.593 1.00 2.65 N ATOM 0 H LYS A 46 5.793 -3.681 8.524 1.00 0.90 H new ATOM 0 HA LYS A 46 7.430 -1.974 6.879 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.602 -0.840 8.590 1.00 1.10 H new ATOM 0 HB3 LYS A 46 6.906 -0.608 8.963 1.00 1.10 H new ATOM 0 HG2 LYS A 46 7.010 -2.354 10.689 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.677 -2.699 10.277 1.00 1.35 H new ATOM 0 HD2 LYS A 46 9.323 -0.386 10.893 1.00 1.85 H new ATOM 0 HD3 LYS A 46 7.654 -0.010 11.271 1.00 1.85 H new ATOM 0 HE2 LYS A 46 7.658 -1.766 13.034 1.00 2.11 H new ATOM 0 HE3 LYS A 46 9.328 -2.140 12.657 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 9.167 -0.657 14.547 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 9.943 0.129 13.257 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 8.325 0.491 13.623 1.00 2.65 H new ATOM 742 N PHE A 47 9.458 -3.406 7.428 1.00 1.20 N ATOM 743 CA PHE A 47 10.567 -4.371 7.505 1.00 1.41 C ATOM 744 C PHE A 47 11.832 -3.657 7.067 1.00 1.59 C ATOM 745 O PHE A 47 11.755 -2.654 6.355 1.00 1.68 O ATOM 746 CB PHE A 47 10.346 -5.624 6.633 1.00 1.50 C ATOM 747 CG PHE A 47 9.474 -6.675 7.261 1.00 1.87 C ATOM 748 CD1 PHE A 47 8.471 -7.294 6.528 1.00 2.53 C ATOM 749 CD2 PHE A 47 9.640 -7.028 8.592 1.00 2.17 C ATOM 750 CE1 PHE A 47 7.655 -8.239 7.115 1.00 3.14 C ATOM 751 CE2 PHE A 47 8.828 -7.977 9.178 1.00 2.69 C ATOM 752 CZ PHE A 47 7.834 -8.582 8.439 1.00 3.10 C ATOM 0 H PHE A 47 9.692 -2.566 6.899 1.00 1.20 H new ATOM 0 HA PHE A 47 10.638 -4.727 8.533 1.00 1.41 H new ATOM 0 HB2 PHE A 47 9.900 -5.318 5.686 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.315 -6.065 6.401 1.00 1.50 H new ATOM 0 HD1 PHE A 47 8.328 -7.034 5.490 1.00 2.53 H new ATOM 0 HD2 PHE A 47 10.414 -6.554 9.177 1.00 2.17 H new ATOM 0 HE1 PHE A 47 6.875 -8.711 6.537 1.00 3.14 H new ATOM 0 HE2 PHE A 47 8.971 -8.246 10.214 1.00 2.69 H new ATOM 0 HZ PHE A 47 7.196 -9.324 8.896 1.00 3.10 H new ATOM 762 N LYS A 48 12.990 -4.161 7.470 1.00 1.83 N ATOM 763 CA LYS A 48 14.213 -3.405 7.274 1.00 2.13 C ATOM 764 C LYS A 48 15.195 -4.079 6.319 1.00 2.50 C ATOM 765 O LYS A 48 14.880 -5.076 5.664 1.00 3.01 O ATOM 766 CB LYS A 48 14.872 -3.090 8.618 1.00 2.46 C ATOM 767 CG LYS A 48 15.538 -4.285 9.289 1.00 3.10 C ATOM 768 CD LYS A 48 15.979 -3.964 10.712 1.00 3.81 C ATOM 769 CE LYS A 48 17.010 -2.841 10.765 1.00 4.36 C ATOM 770 NZ LYS A 48 18.268 -3.189 10.051 1.00 4.90 N ATOM 0 H LYS A 48 13.106 -5.067 7.923 1.00 1.83 H new ATOM 0 HA LYS A 48 13.927 -2.469 6.794 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.619 -2.310 8.469 1.00 2.46 H new ATOM 0 HB3 LYS A 48 14.118 -2.684 9.292 1.00 2.46 H new ATOM 0 HG2 LYS A 48 14.844 -5.126 9.305 1.00 3.10 H new ATOM 0 HG3 LYS A 48 16.402 -4.596 8.702 1.00 3.10 H new ATOM 0 HD2 LYS A 48 15.108 -3.682 11.304 1.00 3.81 H new ATOM 0 HD3 LYS A 48 16.399 -4.860 11.170 1.00 3.81 H new ATOM 0 HE2 LYS A 48 16.584 -1.940 10.325 1.00 4.36 H new ATOM 0 HE3 LYS A 48 17.238 -2.610 11.806 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 19.081 -3.011 10.674 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 18.249 -4.194 9.785 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 18.354 -2.606 9.194 1.00 4.90 H new ATOM 784 N ASP A 49 16.387 -3.508 6.263 1.00 2.76 N ATOM 785 CA ASP A 49 17.387 -3.812 5.252 1.00 3.32 C ATOM 786 C ASP A 49 18.094 -5.142 5.478 1.00 3.36 C ATOM 787 O ASP A 49 17.959 -5.769 6.533 1.00 3.77 O ATOM 788 CB ASP A 49 18.422 -2.683 5.241 1.00 4.26 C ATOM 789 CG ASP A 49 19.027 -2.447 6.615 1.00 4.93 C ATOM 790 OD1 ASP A 49 20.248 -2.639 6.774 1.00 5.45 O ATOM 791 OD2 ASP A 49 18.274 -2.086 7.549 1.00 5.24 O ATOM 0 H ASP A 49 16.693 -2.804 6.935 1.00 2.76 H new ATOM 0 HA ASP A 49 16.870 -3.895 4.296 1.00 3.32 H new ATOM 0 HB2 ASP A 49 19.215 -2.926 4.533 1.00 4.26 H new ATOM 0 HB3 ASP A 49 17.952 -1.764 4.890 1.00 4.26 H new ATOM 796 N ASP A 50 18.823 -5.569 4.450 1.00 3.50 N ATOM 797 CA ASP A 50 19.727 -6.712 4.546 1.00 3.96 C ATOM 798 C ASP A 50 20.858 -6.580 3.550 1.00 4.13 C ATOM 799 O ASP A 50 21.396 -7.570 3.044 1.00 4.41 O ATOM 800 CB ASP A 50 18.994 -8.056 4.392 1.00 4.66 C ATOM 801 CG ASP A 50 18.188 -8.179 3.115 1.00 5.23 C ATOM 802 OD1 ASP A 50 18.799 -8.175 2.021 1.00 5.65 O ATOM 803 OD2 ASP A 50 16.945 -8.250 3.190 1.00 5.56 O ATOM 0 H ASP A 50 18.804 -5.133 3.528 1.00 3.50 H new ATOM 0 HA ASP A 50 20.151 -6.708 5.550 1.00 3.96 H new ATOM 0 HB2 ASP A 50 19.726 -8.863 4.426 1.00 4.66 H new ATOM 0 HB3 ASP A 50 18.328 -8.194 5.244 1.00 4.66 H new ATOM 808 N GLY A 51 21.230 -5.336 3.290 1.00 4.42 N ATOM 809 CA GLY A 51 22.306 -5.055 2.370 1.00 5.01 C ATOM 810 C GLY A 51 21.846 -5.139 0.938 1.00 5.12 C ATOM 811 O GLY A 51 22.500 -4.638 0.026 1.00 5.72 O ATOM 0 H GLY A 51 20.799 -4.510 3.706 1.00 4.42 H new ATOM 0 HA2 GLY A 51 22.704 -4.060 2.567 1.00 5.01 H new ATOM 0 HA3 GLY A 51 23.120 -5.762 2.534 1.00 5.01 H new ATOM 815 N THR A 52 20.704 -5.768 0.752 1.00 4.86 N ATOM 816 CA THR A 52 20.128 -5.929 -0.580 1.00 5.25 C ATOM 817 C THR A 52 18.633 -5.638 -0.571 1.00 5.04 C ATOM 818 O THR A 52 17.994 -5.824 0.443 1.00 4.76 O ATOM 819 CB THR A 52 20.399 -7.316 -1.144 1.00 5.76 C ATOM 820 OG1 THR A 52 20.090 -8.345 -0.195 1.00 5.54 O ATOM 821 CG2 THR A 52 21.839 -7.447 -1.597 1.00 6.40 C ATOM 0 H THR A 52 20.151 -6.179 1.504 1.00 4.86 H new ATOM 0 HA THR A 52 20.615 -5.203 -1.231 1.00 5.25 H new ATOM 0 HB THR A 52 19.745 -7.442 -2.007 1.00 5.76 H new ATOM 0 HG1 THR A 52 19.531 -7.974 0.519 1.00 5.54 H new ATOM 0 HG21 THR A 52 22.005 -8.448 -1.996 1.00 6.40 H new ATOM 0 HG22 THR A 52 22.045 -6.709 -2.372 1.00 6.40 H new ATOM 0 HG23 THR A 52 22.504 -7.279 -0.750 1.00 6.40 H new ATOM 829 N GLU A 53 18.087 -5.134 -1.691 1.00 5.50 N ATOM 830 CA GLU A 53 16.740 -4.580 -1.700 1.00 5.71 C ATOM 831 C GLU A 53 15.893 -4.961 -2.935 1.00 5.89 C ATOM 832 O GLU A 53 15.145 -4.131 -3.439 1.00 6.33 O ATOM 833 CB GLU A 53 16.890 -3.066 -1.684 1.00 6.53 C ATOM 834 CG GLU A 53 18.070 -2.561 -0.868 1.00 6.78 C ATOM 835 CD GLU A 53 19.342 -2.372 -1.683 1.00 7.39 C ATOM 836 OE1 GLU A 53 19.640 -3.218 -2.556 1.00 7.81 O ATOM 837 OE2 GLU A 53 20.063 -1.388 -1.432 1.00 7.67 O ATOM 0 H GLU A 53 18.562 -5.103 -2.593 1.00 5.50 H new ATOM 0 HA GLU A 53 16.215 -4.987 -0.836 1.00 5.71 H new ATOM 0 HB2 GLU A 53 16.995 -2.712 -2.710 1.00 6.53 H new ATOM 0 HB3 GLU A 53 15.975 -2.626 -1.288 1.00 6.53 H new ATOM 0 HG2 GLU A 53 17.801 -1.611 -0.406 1.00 6.78 H new ATOM 0 HG3 GLU A 53 18.268 -3.264 -0.059 1.00 6.78 H new ATOM 844 N ARG A 54 15.989 -6.188 -3.429 1.00 5.89 N ATOM 845 CA ARG A 54 15.265 -6.549 -4.669 1.00 6.41 C ATOM 846 C ARG A 54 13.859 -7.135 -4.434 1.00 5.90 C ATOM 847 O ARG A 54 12.993 -6.992 -5.299 1.00 6.48 O ATOM 848 CB ARG A 54 16.080 -7.535 -5.511 1.00 7.06 C ATOM 849 CG ARG A 54 15.433 -7.908 -6.837 1.00 7.90 C ATOM 850 CD ARG A 54 16.276 -8.913 -7.604 1.00 8.75 C ATOM 851 NE ARG A 54 15.621 -9.354 -8.834 1.00 9.31 N ATOM 852 CZ ARG A 54 16.217 -10.082 -9.779 1.00 10.15 C ATOM 853 NH1 ARG A 54 17.498 -10.417 -9.662 1.00 10.53 N ATOM 854 NH2 ARG A 54 15.532 -10.467 -10.850 1.00 10.77 N ATOM 0 H ARG A 54 16.540 -6.940 -3.015 1.00 5.89 H new ATOM 0 HA ARG A 54 15.133 -5.607 -5.201 1.00 6.41 H new ATOM 0 HB2 ARG A 54 17.061 -7.103 -5.707 1.00 7.06 H new ATOM 0 HB3 ARG A 54 16.242 -8.443 -4.931 1.00 7.06 H new ATOM 0 HG2 ARG A 54 14.443 -8.326 -6.655 1.00 7.90 H new ATOM 0 HG3 ARG A 54 15.295 -7.011 -7.441 1.00 7.90 H new ATOM 0 HD2 ARG A 54 17.240 -8.466 -7.847 1.00 8.75 H new ATOM 0 HD3 ARG A 54 16.476 -9.777 -6.970 1.00 8.75 H new ATOM 0 HE ARG A 54 14.647 -9.088 -8.979 1.00 9.31 H new ATOM 0 HH11 ARG A 54 18.031 -10.117 -8.846 1.00 10.53 H new ATOM 0 HH12 ARG A 54 17.948 -10.974 -10.388 1.00 10.53 H new ATOM 0 HH21 ARG A 54 14.551 -10.206 -10.949 1.00 10.77 H new ATOM 0 HH22 ARG A 54 15.987 -11.024 -11.573 1.00 10.77 H new ATOM 868 N SER A 55 13.635 -7.776 -3.284 1.00 5.08 N ATOM 869 CA SER A 55 12.440 -8.606 -3.067 1.00 4.86 C ATOM 870 C SER A 55 11.138 -7.840 -3.319 1.00 3.87 C ATOM 871 O SER A 55 10.599 -7.877 -4.431 1.00 3.94 O ATOM 872 CB SER A 55 12.460 -9.165 -1.649 1.00 5.52 C ATOM 873 OG SER A 55 13.676 -9.841 -1.387 1.00 6.28 O ATOM 0 H SER A 55 14.266 -7.738 -2.484 1.00 5.08 H new ATOM 0 HA SER A 55 12.469 -9.422 -3.790 1.00 4.86 H new ATOM 0 HB2 SER A 55 12.329 -8.354 -0.933 1.00 5.52 H new ATOM 0 HB3 SER A 55 11.623 -9.849 -1.512 1.00 5.52 H new ATOM 0 HG SER A 55 14.327 -9.626 -2.087 1.00 6.28 H new ATOM 879 N ARG A 56 10.627 -7.191 -2.274 1.00 3.37 N ATOM 880 CA ARG A 56 9.568 -6.194 -2.409 1.00 2.70 C ATOM 881 C ARG A 56 8.156 -6.770 -2.625 1.00 2.24 C ATOM 882 O ARG A 56 7.978 -7.780 -3.292 1.00 2.47 O ATOM 883 CB ARG A 56 9.981 -5.237 -3.527 1.00 3.43 C ATOM 884 CG ARG A 56 8.948 -5.052 -4.627 1.00 4.15 C ATOM 885 CD ARG A 56 9.574 -4.430 -5.862 1.00 4.75 C ATOM 886 NE ARG A 56 10.695 -5.224 -6.362 1.00 5.53 N ATOM 887 CZ ARG A 56 11.294 -5.019 -7.532 1.00 6.18 C ATOM 888 NH1 ARG A 56 10.894 -4.034 -8.326 1.00 6.21 N ATOM 889 NH2 ARG A 56 12.301 -5.796 -7.901 1.00 7.08 N ATOM 0 H ARG A 56 10.935 -7.341 -1.313 1.00 3.37 H new ATOM 0 HA ARG A 56 9.472 -5.669 -1.459 1.00 2.70 H new ATOM 0 HB2 ARG A 56 10.202 -4.264 -3.089 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.905 -5.602 -3.975 1.00 3.43 H new ATOM 0 HG2 ARG A 56 8.508 -6.016 -4.884 1.00 4.15 H new ATOM 0 HG3 ARG A 56 8.138 -4.418 -4.267 1.00 4.15 H new ATOM 0 HD2 ARG A 56 8.820 -4.335 -6.643 1.00 4.75 H new ATOM 0 HD3 ARG A 56 9.918 -3.423 -5.627 1.00 4.75 H new ATOM 0 HE ARG A 56 11.040 -5.984 -5.776 1.00 5.53 H new ATOM 0 HH11 ARG A 56 10.124 -3.430 -8.040 1.00 6.21 H new ATOM 0 HH12 ARG A 56 11.357 -3.881 -9.222 1.00 6.21 H new ATOM 0 HH21 ARG A 56 12.615 -6.549 -7.289 1.00 7.08 H new ATOM 0 HH22 ARG A 56 12.762 -5.642 -8.797 1.00 7.08 H new ATOM 903 N TRP A 57 7.145 -6.059 -2.085 1.00 1.83 N ATOM 904 CA TRP A 57 5.777 -6.584 -1.994 1.00 1.49 C ATOM 905 C TRP A 57 4.868 -6.024 -3.098 1.00 1.19 C ATOM 906 O TRP A 57 5.247 -5.117 -3.841 1.00 1.43 O ATOM 907 CB TRP A 57 5.113 -6.268 -0.636 1.00 1.69 C ATOM 908 CG TRP A 57 5.884 -6.698 0.591 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.235 -6.878 0.727 1.00 1.56 C ATOM 910 CD2 TRP A 57 5.320 -6.985 1.873 1.00 2.78 C ATOM 911 NE1 TRP A 57 7.533 -7.272 2.013 1.00 1.85 N ATOM 912 CE2 TRP A 57 6.373 -7.345 2.729 1.00 2.70 C ATOM 913 CE3 TRP A 57 4.021 -6.978 2.377 1.00 3.91 C ATOM 914 CZ2 TRP A 57 6.163 -7.691 4.057 1.00 3.65 C ATOM 915 CZ3 TRP A 57 3.814 -7.323 3.697 1.00 4.90 C ATOM 916 CH2 TRP A 57 4.882 -7.675 4.523 1.00 4.75 C ATOM 0 H TRP A 57 7.256 -5.118 -1.706 1.00 1.83 H new ATOM 0 HA TRP A 57 5.882 -7.663 -2.109 1.00 1.49 H new ATOM 0 HB2 TRP A 57 4.944 -5.193 -0.577 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.134 -6.746 -0.612 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.961 -6.732 -0.059 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.466 -7.476 2.371 1.00 1.85 H new ATOM 0 HE3 TRP A 57 3.189 -6.707 1.744 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 6.987 -7.964 4.700 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 2.811 -7.321 4.097 1.00 4.90 H new ATOM 0 HH2 TRP A 57 4.690 -7.940 5.552 1.00 4.75 H new ATOM 927 N ASN A 58 3.677 -6.610 -3.202 1.00 0.91 N ATOM 928 CA ASN A 58 2.567 -6.063 -3.989 1.00 0.71 C ATOM 929 C ASN A 58 1.284 -6.254 -3.178 1.00 0.59 C ATOM 930 O ASN A 58 1.095 -7.324 -2.598 1.00 0.71 O ATOM 931 CB ASN A 58 2.424 -6.794 -5.331 1.00 0.74 C ATOM 932 CG ASN A 58 3.522 -6.462 -6.319 1.00 1.23 C ATOM 933 OD1 ASN A 58 4.581 -7.089 -6.324 1.00 2.05 O ATOM 934 ND2 ASN A 58 3.268 -5.488 -7.180 1.00 1.91 N ATOM 0 H ASN A 58 3.450 -7.489 -2.737 1.00 0.91 H new ATOM 0 HA ASN A 58 2.756 -5.010 -4.197 1.00 0.71 H new ATOM 0 HB2 ASN A 58 2.420 -7.869 -5.152 1.00 0.74 H new ATOM 0 HB3 ASN A 58 1.460 -6.541 -5.773 1.00 0.74 H new ATOM 0 HD21 ASN A 58 3.963 -5.233 -7.881 1.00 1.91 H new ATOM 0 HD22 ASN A 58 2.377 -4.993 -7.142 1.00 1.91 H new ATOM 941 N CYS A 59 0.404 -5.259 -3.104 1.00 0.55 N ATOM 942 CA CYS A 59 -0.797 -5.414 -2.277 1.00 0.50 C ATOM 943 C CYS A 59 -2.073 -5.439 -3.110 1.00 0.44 C ATOM 944 O CYS A 59 -2.188 -4.759 -4.119 1.00 0.56 O ATOM 945 CB CYS A 59 -0.874 -4.347 -1.170 1.00 0.60 C ATOM 946 SG CYS A 59 0.649 -3.360 -0.942 1.00 0.76 S ATOM 0 H CYS A 59 0.490 -4.365 -3.587 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.712 -6.386 -1.791 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.698 -3.670 -1.395 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.115 -4.839 -0.228 1.00 0.60 H new ATOM 951 N LEU A 60 -3.039 -6.221 -2.636 1.00 0.36 N ATOM 952 CA LEU A 60 -4.217 -6.581 -3.397 1.00 0.34 C ATOM 953 C LEU A 60 -5.454 -6.339 -2.533 1.00 0.29 C ATOM 954 O LEU A 60 -5.582 -6.901 -1.451 1.00 0.32 O ATOM 955 CB LEU A 60 -4.094 -8.058 -3.802 1.00 0.44 C ATOM 956 CG LEU A 60 -5.188 -8.612 -4.712 1.00 1.27 C ATOM 957 CD1 LEU A 60 -5.157 -7.948 -6.076 1.00 1.90 C ATOM 958 CD2 LEU A 60 -5.039 -10.118 -4.855 1.00 1.85 C ATOM 0 H LEU A 60 -3.019 -6.624 -1.699 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.309 -5.976 -4.299 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.134 -8.196 -4.301 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.070 -8.659 -2.893 1.00 0.44 H new ATOM 0 HG LEU A 60 -6.152 -8.392 -4.253 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -5.947 -8.364 -6.701 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -5.311 -6.875 -5.962 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.190 -8.128 -6.546 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -5.825 -10.501 -5.506 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.065 -10.348 -5.287 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -5.120 -10.586 -3.874 1.00 1.85 H new ATOM 970 N PHE A 61 -6.345 -5.493 -3.011 1.00 0.29 N ATOM 971 CA PHE A 61 -7.459 -4.991 -2.208 1.00 0.28 C ATOM 972 C PHE A 61 -8.769 -5.701 -2.516 1.00 0.37 C ATOM 973 O PHE A 61 -9.237 -5.646 -3.637 1.00 0.48 O ATOM 974 CB PHE A 61 -7.668 -3.514 -2.512 1.00 0.32 C ATOM 975 CG PHE A 61 -6.675 -2.601 -1.875 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.402 -2.453 -2.400 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.028 -1.856 -0.767 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.509 -1.579 -1.829 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.141 -0.990 -0.201 1.00 0.57 C ATOM 980 CZ PHE A 61 -4.878 -0.841 -0.731 1.00 0.37 C ATOM 0 H PHE A 61 -6.324 -5.131 -3.964 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.200 -5.167 -1.164 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.633 -3.371 -3.592 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.667 -3.227 -2.185 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.109 -3.029 -3.265 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.017 -1.961 -0.345 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.517 -1.472 -2.243 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.430 -0.417 0.668 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.181 -0.147 -0.285 1.00 0.37 H new ATOM 990 N ARG A 62 -9.393 -6.295 -1.512 1.00 0.47 N ATOM 991 CA ARG A 62 -10.649 -7.017 -1.715 1.00 0.66 C ATOM 992 C ARG A 62 -11.750 -6.423 -0.833 1.00 0.89 C ATOM 993 O ARG A 62 -11.496 -5.513 -0.040 1.00 1.05 O ATOM 994 CB ARG A 62 -10.476 -8.499 -1.372 1.00 0.84 C ATOM 995 CG ARG A 62 -9.974 -8.758 0.039 1.00 1.49 C ATOM 996 CD ARG A 62 -9.759 -10.243 0.287 1.00 1.88 C ATOM 997 NE ARG A 62 -10.999 -11.007 0.166 1.00 2.29 N ATOM 998 CZ ARG A 62 -11.049 -12.297 -0.165 1.00 2.86 C ATOM 999 NH1 ARG A 62 -9.928 -12.961 -0.435 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -12.219 -12.921 -0.225 1.00 3.63 N ATOM 0 H ARG A 62 -9.056 -6.295 -0.549 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.931 -6.921 -2.764 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -11.432 -9.005 -1.504 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.779 -8.945 -2.081 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -9.039 -8.222 0.198 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -10.692 -8.367 0.760 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -9.027 -10.626 -0.424 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -9.341 -10.387 1.283 1.00 1.88 H new ATOM 0 HE ARG A 62 -11.879 -10.524 0.346 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -9.028 -12.483 -0.389 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -9.968 -13.948 -0.688 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -13.079 -12.413 -0.018 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -12.258 -13.908 -0.478 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.967 -6.944 -0.970 1.00 1.13 N ATOM 1015 CA GLN A 63 -14.075 -6.548 -0.102 1.00 1.48 C ATOM 1016 C GLN A 63 -15.111 -7.661 -0.026 1.00 2.09 C ATOM 1017 O GLN A 63 -15.487 -8.105 1.059 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.730 -5.251 -0.585 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.856 -4.755 0.316 1.00 2.15 C ATOM 1020 CD GLN A 63 -15.370 -4.301 1.683 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -14.377 -4.804 2.213 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -16.072 -3.347 2.269 1.00 3.03 N ATOM 0 H GLN A 63 -13.212 -7.641 -1.673 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.669 -6.369 0.893 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.968 -4.475 -0.658 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -15.123 -5.406 -1.590 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -16.368 -3.927 -0.174 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -16.589 -5.552 0.444 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -16.888 -2.954 1.801 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -15.797 -3.004 3.190 1.00 3.03 H new ATOM 1031 N GLY A 64 -15.569 -8.102 -1.184 1.00 2.55 N ATOM 1032 CA GLY A 64 -16.441 -9.259 -1.239 1.00 3.28 C ATOM 1033 C GLY A 64 -17.712 -9.031 -2.011 1.00 3.41 C ATOM 1034 O GLY A 64 -18.585 -8.264 -1.594 1.00 3.88 O ATOM 0 H GLY A 64 -15.354 -7.682 -2.088 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -15.898 -10.089 -1.690 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -16.694 -9.559 -0.222 1.00 3.28 H new ATOM 1038 N ILE A 65 -17.785 -9.720 -3.142 1.00 3.49 N ATOM 1039 CA ILE A 65 -18.886 -9.648 -4.082 1.00 3.94 C ATOM 1040 C ILE A 65 -18.405 -10.217 -5.407 1.00 4.01 C ATOM 1041 O ILE A 65 -17.225 -10.084 -5.728 1.00 4.32 O ATOM 1042 CB ILE A 65 -19.335 -8.200 -4.291 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -20.565 -8.113 -5.201 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -18.179 -7.413 -4.852 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -21.786 -8.816 -4.647 1.00 5.57 C ATOM 0 H ILE A 65 -17.052 -10.365 -3.437 1.00 3.49 H new ATOM 0 HA ILE A 65 -19.733 -10.213 -3.693 1.00 3.94 H new ATOM 0 HB ILE A 65 -19.633 -7.776 -3.332 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -20.807 -7.064 -5.370 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -20.319 -8.544 -6.172 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -18.484 -6.378 -5.006 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -17.344 -7.444 -4.152 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -17.872 -7.846 -5.804 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -22.615 -8.711 -5.347 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -21.564 -9.874 -4.504 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -22.060 -8.371 -3.690 1.00 5.57 H new ATOM 1057 N ASN A 66 -19.245 -10.902 -6.165 1.00 4.06 N ATOM 1058 CA ASN A 66 -18.843 -11.166 -7.528 1.00 4.27 C ATOM 1059 C ASN A 66 -19.732 -10.419 -8.498 1.00 4.09 C ATOM 1060 O ASN A 66 -20.544 -11.006 -9.211 1.00 4.26 O ATOM 1061 CB ASN A 66 -18.891 -12.666 -7.828 1.00 4.76 C ATOM 1062 CG ASN A 66 -17.861 -13.452 -7.044 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -16.728 -13.637 -7.493 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -18.245 -13.927 -5.871 1.00 6.08 N ATOM 0 H ASN A 66 -20.155 -11.265 -5.880 1.00 4.06 H new ATOM 0 HA ASN A 66 -17.817 -10.819 -7.649 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -19.886 -13.047 -7.597 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -18.729 -12.825 -8.894 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -17.594 -14.469 -5.302 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -19.192 -13.752 -5.535 1.00 6.08 H new ATOM 1071 N MET A 67 -19.573 -9.111 -8.500 1.00 4.09 N ATOM 1072 CA MET A 67 -19.771 -8.285 -9.669 1.00 4.13 C ATOM 1073 C MET A 67 -18.392 -7.911 -10.165 1.00 3.60 C ATOM 1074 O MET A 67 -18.122 -7.795 -11.359 1.00 3.77 O ATOM 1075 CB MET A 67 -20.591 -7.034 -9.338 1.00 4.54 C ATOM 1076 CG MET A 67 -22.011 -7.340 -8.887 1.00 5.19 C ATOM 1077 SD MET A 67 -22.952 -8.262 -10.120 1.00 6.00 S ATOM 1078 CE MET A 67 -23.002 -7.081 -11.467 1.00 6.30 C ATOM 0 H MET A 67 -19.297 -8.584 -7.671 1.00 4.09 H new ATOM 0 HA MET A 67 -20.333 -8.824 -10.432 1.00 4.13 H new ATOM 0 HB2 MET A 67 -20.082 -6.473 -8.554 1.00 4.54 H new ATOM 0 HB3 MET A 67 -20.628 -6.391 -10.217 1.00 4.54 H new ATOM 0 HG2 MET A 67 -21.978 -7.912 -7.960 1.00 5.19 H new ATOM 0 HG3 MET A 67 -22.527 -6.405 -8.667 1.00 5.19 H new ATOM 0 HE1 MET A 67 -23.760 -7.384 -12.189 1.00 6.30 H new ATOM 0 HE2 MET A 67 -23.248 -6.094 -11.076 1.00 6.30 H new ATOM 0 HE3 MET A 67 -22.029 -7.046 -11.956 1.00 6.30 H new ATOM 1088 N LYS A 68 -17.528 -7.755 -9.165 1.00 3.30 N ATOM 1089 CA LYS A 68 -16.202 -7.177 -9.286 1.00 3.12 C ATOM 1090 C LYS A 68 -15.412 -7.569 -8.050 1.00 2.78 C ATOM 1091 O LYS A 68 -16.017 -7.889 -7.031 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.308 -5.656 -9.302 1.00 3.71 C ATOM 1093 CG LYS A 68 -16.906 -5.070 -10.575 1.00 4.30 C ATOM 1094 CD LYS A 68 -17.107 -3.566 -10.458 1.00 4.85 C ATOM 1095 CE LYS A 68 -18.200 -3.231 -9.456 1.00 5.37 C ATOM 1096 NZ LYS A 68 -18.330 -1.768 -9.236 1.00 5.81 N ATOM 0 H LYS A 68 -17.747 -8.041 -8.211 1.00 3.30 H new ATOM 0 HA LYS A 68 -15.725 -7.529 -10.201 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.914 -5.339 -8.453 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -15.313 -5.235 -9.158 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -16.250 -5.286 -11.419 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -17.862 -5.550 -10.783 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -16.173 -3.095 -10.152 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -17.366 -3.155 -11.433 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -19.151 -3.629 -9.811 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -17.983 -3.722 -8.507 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -19.087 -1.587 -8.546 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -17.432 -1.390 -8.872 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -18.563 -1.301 -10.136 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.088 -7.542 -8.114 1.00 2.52 N ATOM 1111 CA PHE A 69 -13.282 -7.761 -6.918 1.00 2.44 C ATOM 1112 C PHE A 69 -11.818 -7.411 -7.140 1.00 2.04 C ATOM 1113 O PHE A 69 -11.297 -7.553 -8.247 1.00 2.83 O ATOM 1114 CB PHE A 69 -13.401 -9.214 -6.425 1.00 3.01 C ATOM 1115 CG PHE A 69 -13.173 -10.264 -7.482 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -11.887 -10.597 -7.876 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -14.240 -10.909 -8.088 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -11.671 -11.550 -8.851 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -14.030 -11.865 -9.062 1.00 5.20 C ATOM 1120 CZ PHE A 69 -12.765 -12.218 -9.419 1.00 6.01 C ATOM 0 H PHE A 69 -13.554 -7.373 -8.967 1.00 2.52 H new ATOM 0 HA PHE A 69 -13.676 -7.092 -6.153 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -12.683 -9.369 -5.619 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.394 -9.358 -5.999 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -11.043 -10.105 -7.415 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -15.249 -10.660 -7.794 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -10.666 -11.779 -9.174 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -14.875 -12.335 -9.543 1.00 5.20 H new ATOM 0 HZ PHE A 69 -12.605 -13.009 -10.137 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.190 -6.894 -6.082 1.00 1.22 N ATOM 1131 CA PHE A 70 -9.734 -6.797 -5.988 1.00 0.92 C ATOM 1132 C PHE A 70 -9.101 -5.666 -6.790 1.00 0.79 C ATOM 1133 O PHE A 70 -9.581 -5.266 -7.844 1.00 1.19 O ATOM 1134 CB PHE A 70 -9.100 -8.105 -6.391 1.00 1.37 C ATOM 1135 CG PHE A 70 -8.843 -9.027 -5.249 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.230 -8.592 -4.086 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.227 -10.340 -5.343 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.013 -9.462 -3.045 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -9.018 -11.210 -4.320 1.00 3.59 C ATOM 1140 CZ PHE A 70 -8.327 -10.693 -3.104 1.00 3.63 C ATOM 0 H PHE A 70 -11.679 -6.530 -5.264 1.00 1.22 H new ATOM 0 HA PHE A 70 -9.539 -6.563 -4.941 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -9.748 -8.605 -7.111 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -8.158 -7.900 -6.899 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -7.920 -7.561 -3.997 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -9.704 -10.689 -6.247 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.558 -9.086 -2.141 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -9.341 -12.239 -4.385 1.00 3.59 H new ATOM 0 HZ PHE A 70 -8.096 -11.356 -2.283 1.00 3.63 H new ATOM 1150 N THR A 71 -7.989 -5.188 -6.258 1.00 0.58 N ATOM 1151 CA THR A 71 -7.126 -4.224 -6.940 1.00 0.49 C ATOM 1152 C THR A 71 -5.715 -4.360 -6.407 1.00 0.40 C ATOM 1153 O THR A 71 -5.501 -4.384 -5.200 1.00 0.49 O ATOM 1154 CB THR A 71 -7.611 -2.753 -6.826 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.417 -2.104 -8.087 1.00 0.81 O ATOM 1156 CG2 THR A 71 -6.876 -1.942 -5.742 1.00 0.48 C ATOM 0 H THR A 71 -7.652 -5.457 -5.333 1.00 0.58 H new ATOM 0 HA THR A 71 -7.161 -4.460 -8.003 1.00 0.49 H new ATOM 0 HB THR A 71 -8.662 -2.790 -6.541 1.00 0.56 H new ATOM 0 HG1 THR A 71 -7.634 -1.152 -8.002 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.267 -0.925 -5.720 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.030 -2.411 -4.770 1.00 0.48 H new ATOM 0 HG23 THR A 71 -5.810 -1.916 -5.967 1.00 0.48 H new ATOM 1164 N GLU A 72 -4.750 -4.502 -7.283 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.396 -4.669 -6.823 1.00 0.45 C ATOM 1166 C GLU A 72 -2.575 -3.423 -7.075 1.00 0.47 C ATOM 1167 O GLU A 72 -2.307 -3.054 -8.220 1.00 0.57 O ATOM 1168 CB GLU A 72 -2.731 -5.886 -7.466 1.00 0.63 C ATOM 1169 CG GLU A 72 -1.333 -6.155 -6.928 1.00 1.19 C ATOM 1170 CD GLU A 72 -0.806 -7.528 -7.294 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -0.299 -7.695 -8.421 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -0.877 -8.442 -6.444 1.00 1.80 O ATOM 0 H GLU A 72 -4.873 -4.505 -8.296 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.440 -4.839 -5.747 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -3.354 -6.764 -7.298 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -2.676 -5.736 -8.544 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -0.651 -5.397 -7.312 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.343 -6.054 -5.843 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.190 -2.774 -5.996 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.258 -1.677 -6.069 1.00 0.52 C ATOM 1181 C VAL A 73 0.116 -2.219 -5.742 1.00 0.64 C ATOM 1182 O VAL A 73 0.271 -2.993 -4.792 1.00 0.76 O ATOM 1183 CB VAL A 73 -1.567 -0.544 -5.074 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -0.982 0.768 -5.572 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.052 -0.407 -4.815 1.00 0.53 C ATOM 0 H VAL A 73 -2.513 -2.992 -5.053 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.325 -1.256 -7.072 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.099 -0.801 -4.124 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -1.208 1.561 -4.859 1.00 0.66 H new ATOM 0 HG12 VAL A 73 0.099 0.669 -5.674 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -1.417 1.016 -6.540 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.225 0.404 -4.107 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -3.566 -0.188 -5.751 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.436 -1.339 -4.400 1.00 0.53 H new ATOM 1195 N GLU A 74 1.099 -1.861 -6.539 1.00 0.80 N ATOM 1196 CA GLU A 74 2.463 -2.231 -6.249 1.00 0.96 C ATOM 1197 C GLU A 74 2.839 -1.646 -4.906 1.00 0.98 C ATOM 1198 O GLU A 74 2.651 -0.449 -4.672 1.00 1.16 O ATOM 1199 CB GLU A 74 3.388 -1.675 -7.325 1.00 1.24 C ATOM 1200 CG GLU A 74 2.911 -1.935 -8.741 1.00 1.49 C ATOM 1201 CD GLU A 74 3.720 -1.166 -9.762 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.451 -1.805 -10.548 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.632 0.080 -9.779 1.00 2.02 O ATOM 0 H GLU A 74 0.977 -1.315 -7.392 1.00 0.80 H new ATOM 0 HA GLU A 74 2.560 -3.317 -6.229 1.00 0.96 H new ATOM 0 HB2 GLU A 74 3.493 -0.600 -7.179 1.00 1.24 H new ATOM 0 HB3 GLU A 74 4.379 -2.112 -7.200 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.977 -3.002 -8.955 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.861 -1.657 -8.827 1.00 1.49 H new ATOM 1210 N ALA A 75 3.348 -2.493 -4.021 1.00 1.06 N ATOM 1211 CA ALA A 75 3.762 -2.037 -2.715 1.00 1.12 C ATOM 1212 C ALA A 75 4.838 -1.030 -2.906 1.00 1.43 C ATOM 1213 O ALA A 75 4.886 -0.052 -2.204 1.00 1.80 O ATOM 1214 CB ALA A 75 4.289 -3.149 -1.842 1.00 1.02 C ATOM 0 H ALA A 75 3.481 -3.490 -4.188 1.00 1.06 H new ATOM 0 HA ALA A 75 2.890 -1.621 -2.211 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.584 -2.743 -0.874 1.00 1.02 H new ATOM 0 HB2 ALA A 75 3.511 -3.899 -1.699 1.00 1.02 H new ATOM 0 HB3 ALA A 75 5.153 -3.609 -2.321 1.00 1.02 H new ATOM 1220 N TYR A 76 5.706 -1.289 -3.869 1.00 1.71 N ATOM 1221 CA TYR A 76 6.713 -0.307 -4.228 1.00 2.10 C ATOM 1222 C TYR A 76 7.573 -0.764 -5.398 1.00 2.93 C ATOM 1223 O TYR A 76 8.392 -1.671 -5.263 1.00 3.37 O ATOM 1224 CB TYR A 76 7.591 -0.009 -3.013 1.00 2.06 C ATOM 1225 CG TYR A 76 8.265 1.354 -3.062 1.00 2.42 C ATOM 1226 CD1 TYR A 76 7.620 2.451 -3.618 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.547 1.542 -2.559 1.00 2.63 C ATOM 1228 CE1 TYR A 76 8.230 3.686 -3.673 1.00 3.55 C ATOM 1229 CE2 TYR A 76 10.159 2.775 -2.608 1.00 3.23 C ATOM 1230 CZ TYR A 76 9.496 3.847 -3.137 1.00 3.62 C ATOM 1231 OH TYR A 76 10.111 5.078 -3.219 1.00 4.28 O ATOM 0 H TYR A 76 5.735 -2.155 -4.408 1.00 1.71 H new ATOM 0 HA TYR A 76 6.196 0.599 -4.545 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.981 -0.070 -2.112 1.00 2.06 H new ATOM 0 HB3 TYR A 76 8.357 -0.780 -2.932 1.00 2.06 H new ATOM 0 HD1 TYR A 76 6.622 2.334 -4.015 1.00 3.02 H new ATOM 0 HD2 TYR A 76 10.073 0.706 -2.122 1.00 2.63 H new ATOM 0 HE1 TYR A 76 7.723 4.522 -4.131 1.00 3.55 H new ATOM 0 HE2 TYR A 76 11.163 2.895 -2.228 1.00 3.23 H new ATOM 0 HH TYR A 76 10.994 5.031 -2.797 1.00 4.28 H new ATOM 1241 N ARG A 77 7.368 -0.141 -6.553 1.00 3.45 N ATOM 1242 CA ARG A 77 8.249 -0.342 -7.695 1.00 4.39 C ATOM 1243 C ARG A 77 8.629 0.999 -8.309 1.00 4.69 C ATOM 1244 O ARG A 77 7.947 1.493 -9.206 1.00 4.62 O ATOM 1245 CB ARG A 77 7.600 -1.217 -8.771 1.00 5.09 C ATOM 1246 CG ARG A 77 7.258 -2.623 -8.315 1.00 5.52 C ATOM 1247 CD ARG A 77 7.387 -3.616 -9.459 1.00 6.16 C ATOM 1248 NE ARG A 77 6.694 -3.164 -10.665 1.00 6.62 N ATOM 1249 CZ ARG A 77 6.989 -3.584 -11.893 1.00 7.29 C ATOM 1250 NH1 ARG A 77 7.911 -4.520 -12.075 1.00 7.66 N ATOM 1251 NH2 ARG A 77 6.351 -3.076 -12.940 1.00 7.82 N ATOM 0 H ARG A 77 6.599 0.507 -6.722 1.00 3.45 H new ATOM 0 HA ARG A 77 9.139 -0.853 -7.328 1.00 4.39 H new ATOM 0 HB2 ARG A 77 6.689 -0.729 -9.118 1.00 5.09 H new ATOM 0 HB3 ARG A 77 8.273 -1.279 -9.626 1.00 5.09 H new ATOM 0 HG2 ARG A 77 7.920 -2.915 -7.499 1.00 5.52 H new ATOM 0 HG3 ARG A 77 6.241 -2.644 -7.924 1.00 5.52 H new ATOM 0 HD2 ARG A 77 8.442 -3.772 -9.685 1.00 6.16 H new ATOM 0 HD3 ARG A 77 6.982 -4.579 -9.149 1.00 6.16 H new ATOM 0 HE ARG A 77 5.939 -2.486 -10.559 1.00 6.62 H new ATOM 0 HH11 ARG A 77 8.397 -4.920 -11.272 1.00 7.66 H new ATOM 0 HH12 ARG A 77 8.134 -4.839 -13.018 1.00 7.66 H new ATOM 0 HH21 ARG A 77 5.634 -2.363 -12.804 1.00 7.82 H new ATOM 0 HH22 ARG A 77 6.578 -3.398 -13.881 1.00 7.82 H new ATOM 1265 N PRO A 78 9.713 1.615 -7.825 1.00 5.32 N ATOM 1266 CA PRO A 78 10.229 2.849 -8.389 1.00 5.79 C ATOM 1267 C PRO A 78 11.265 2.576 -9.475 1.00 6.24 C ATOM 1268 O PRO A 78 11.357 1.456 -9.980 1.00 6.84 O ATOM 1269 CB PRO A 78 10.867 3.521 -7.178 1.00 6.56 C ATOM 1270 CG PRO A 78 11.329 2.396 -6.308 1.00 6.72 C ATOM 1271 CD PRO A 78 10.518 1.172 -6.675 1.00 5.88 C ATOM 0 HA PRO A 78 9.464 3.455 -8.874 1.00 5.79 H new ATOM 0 HB2 PRO A 78 11.700 4.158 -7.474 1.00 6.56 H new ATOM 0 HB3 PRO A 78 10.151 4.155 -6.656 1.00 6.56 H new ATOM 0 HG2 PRO A 78 12.393 2.209 -6.456 1.00 6.72 H new ATOM 0 HG3 PRO A 78 11.192 2.645 -5.256 1.00 6.72 H new ATOM 0 HD2 PRO A 78 11.160 0.331 -6.937 1.00 5.88 H new ATOM 0 HD3 PRO A 78 9.888 0.847 -5.847 1.00 5.88 H new ATOM 1279 N ASP A 79 12.042 3.586 -9.834 1.00 6.17 N ATOM 1280 CA ASP A 79 13.092 3.406 -10.827 1.00 6.76 C ATOM 1281 C ASP A 79 14.172 2.464 -10.306 1.00 6.75 C ATOM 1282 O ASP A 79 14.592 2.562 -9.150 1.00 6.33 O ATOM 1283 CB ASP A 79 13.693 4.743 -11.236 1.00 6.97 C ATOM 1284 CG ASP A 79 14.928 4.570 -12.089 1.00 7.82 C ATOM 1285 OD1 ASP A 79 14.801 4.112 -13.242 1.00 8.31 O ATOM 1286 OD2 ASP A 79 16.027 4.882 -11.602 1.00 8.19 O ATOM 0 H ASP A 79 11.968 4.531 -9.457 1.00 6.17 H new ATOM 0 HA ASP A 79 12.644 2.955 -11.712 1.00 6.76 H new ATOM 0 HB2 ASP A 79 12.951 5.321 -11.786 1.00 6.97 H new ATOM 0 HB3 ASP A 79 13.946 5.315 -10.343 1.00 6.97 H new ATOM 1291 N LEU A 80 14.631 1.567 -11.176 1.00 7.42 N ATOM 1292 CA LEU A 80 15.502 0.464 -10.778 1.00 7.70 C ATOM 1293 C LEU A 80 16.924 0.905 -10.447 1.00 7.67 C ATOM 1294 O LEU A 80 17.759 0.087 -10.056 1.00 7.65 O ATOM 1295 CB LEU A 80 15.505 -0.632 -11.859 1.00 8.65 C ATOM 1296 CG LEU A 80 15.705 -0.156 -13.307 1.00 9.25 C ATOM 1297 CD1 LEU A 80 17.150 0.244 -13.568 1.00 9.43 C ATOM 1298 CD2 LEU A 80 15.271 -1.239 -14.281 1.00 9.75 C ATOM 0 H LEU A 80 14.411 1.584 -12.172 1.00 7.42 H new ATOM 0 HA LEU A 80 15.090 0.059 -9.854 1.00 7.70 H new ATOM 0 HB2 LEU A 80 16.294 -1.346 -11.621 1.00 8.65 H new ATOM 0 HB3 LEU A 80 14.559 -1.171 -11.803 1.00 8.65 H new ATOM 0 HG LEU A 80 15.084 0.727 -13.458 1.00 9.25 H new ATOM 0 HD11 LEU A 80 17.255 0.575 -14.601 1.00 9.43 H new ATOM 0 HD12 LEU A 80 17.430 1.056 -12.897 1.00 9.43 H new ATOM 0 HD13 LEU A 80 17.802 -0.612 -13.393 1.00 9.43 H new ATOM 0 HD21 LEU A 80 15.418 -0.889 -15.303 1.00 9.75 H new ATOM 0 HD22 LEU A 80 15.866 -2.137 -14.116 1.00 9.75 H new ATOM 0 HD23 LEU A 80 14.217 -1.469 -14.124 1.00 9.75 H new ATOM 1310 N LYS A 81 17.196 2.185 -10.592 1.00 7.90 N ATOM 1311 CA LYS A 81 18.506 2.722 -10.240 1.00 8.21 C ATOM 1312 C LYS A 81 18.521 3.163 -8.786 1.00 7.50 C ATOM 1313 O LYS A 81 19.559 3.547 -8.248 1.00 7.67 O ATOM 1314 CB LYS A 81 18.889 3.883 -11.154 1.00 9.15 C ATOM 1315 CG LYS A 81 19.123 3.462 -12.592 1.00 9.83 C ATOM 1316 CD LYS A 81 19.606 4.621 -13.443 1.00 10.54 C ATOM 1317 CE LYS A 81 20.035 4.148 -14.821 1.00 11.27 C ATOM 1318 NZ LYS A 81 21.156 3.172 -14.746 1.00 11.75 N ATOM 0 H LYS A 81 16.535 2.875 -10.949 1.00 7.90 H new ATOM 0 HA LYS A 81 19.244 1.931 -10.375 1.00 8.21 H new ATOM 0 HB2 LYS A 81 18.099 4.634 -11.126 1.00 9.15 H new ATOM 0 HB3 LYS A 81 19.793 4.356 -10.770 1.00 9.15 H new ATOM 0 HG2 LYS A 81 19.858 2.658 -12.621 1.00 9.83 H new ATOM 0 HG3 LYS A 81 18.198 3.064 -13.010 1.00 9.83 H new ATOM 0 HD2 LYS A 81 18.811 5.360 -13.540 1.00 10.54 H new ATOM 0 HD3 LYS A 81 20.442 5.115 -12.948 1.00 10.54 H new ATOM 0 HE2 LYS A 81 19.186 3.689 -15.328 1.00 11.27 H new ATOM 0 HE3 LYS A 81 20.339 5.005 -15.421 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 21.662 3.154 -15.655 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 21.812 3.454 -13.990 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 20.779 2.225 -14.541 1.00 11.75 H new ATOM 1332 N HIS A 82 17.361 3.098 -8.154 1.00 6.91 N ATOM 1333 CA HIS A 82 17.237 3.436 -6.747 1.00 6.47 C ATOM 1334 C HIS A 82 17.309 2.170 -5.911 1.00 5.53 C ATOM 1335 O HIS A 82 16.481 1.275 -6.074 1.00 5.01 O ATOM 1336 CB HIS A 82 15.906 4.145 -6.474 1.00 6.67 C ATOM 1337 CG HIS A 82 15.732 5.429 -7.219 1.00 7.18 C ATOM 1338 ND1 HIS A 82 14.978 5.535 -8.370 1.00 7.40 N ATOM 1339 CD2 HIS A 82 16.205 6.673 -6.966 1.00 7.76 C ATOM 1340 CE1 HIS A 82 14.996 6.787 -8.789 1.00 8.08 C ATOM 1341 NE2 HIS A 82 15.731 7.497 -7.957 1.00 8.33 N ATOM 0 H HIS A 82 16.487 2.813 -8.597 1.00 6.91 H new ATOM 0 HA HIS A 82 18.054 4.106 -6.480 1.00 6.47 H new ATOM 0 HB2 HIS A 82 15.089 3.473 -6.735 1.00 6.67 H new ATOM 0 HB3 HIS A 82 15.826 4.344 -5.405 1.00 6.67 H new ATOM 0 HD2 HIS A 82 16.837 6.963 -6.139 1.00 7.76 H new ATOM 0 HE1 HIS A 82 14.493 7.166 -9.666 1.00 8.08 H new ATOM 0 HE2 HIS A 82 15.918 8.497 -8.036 1.00 8.33 H new ATOM 1350 N PRO A 83 18.313 2.047 -5.035 1.00 5.57 N ATOM 1351 CA PRO A 83 18.386 0.915 -4.124 1.00 4.95 C ATOM 1352 C PRO A 83 17.444 1.104 -2.937 1.00 4.13 C ATOM 1353 O PRO A 83 17.627 1.999 -2.105 1.00 4.33 O ATOM 1354 CB PRO A 83 19.846 0.929 -3.671 1.00 5.64 C ATOM 1355 CG PRO A 83 20.275 2.354 -3.782 1.00 6.46 C ATOM 1356 CD PRO A 83 19.446 2.976 -4.876 1.00 6.50 C ATOM 0 HA PRO A 83 18.088 -0.026 -4.586 1.00 4.95 H new ATOM 0 HB2 PRO A 83 19.945 0.566 -2.648 1.00 5.64 H new ATOM 0 HB3 PRO A 83 20.460 0.283 -4.299 1.00 5.64 H new ATOM 0 HG2 PRO A 83 20.124 2.877 -2.838 1.00 6.46 H new ATOM 0 HG3 PRO A 83 21.337 2.420 -4.017 1.00 6.46 H new ATOM 0 HD2 PRO A 83 19.108 3.975 -4.602 1.00 6.50 H new ATOM 0 HD3 PRO A 83 20.014 3.075 -5.801 1.00 6.50 H new ATOM 1364 N LEU A 84 16.443 0.242 -2.881 1.00 3.60 N ATOM 1365 CA LEU A 84 15.468 0.193 -1.804 1.00 3.05 C ATOM 1366 C LEU A 84 14.459 -0.880 -2.130 1.00 2.76 C ATOM 1367 O LEU A 84 14.460 -1.416 -3.236 1.00 3.30 O ATOM 1368 CB LEU A 84 14.781 1.547 -1.536 1.00 3.01 C ATOM 1369 CG LEU A 84 14.318 2.333 -2.775 1.00 4.01 C ATOM 1370 CD1 LEU A 84 13.203 1.615 -3.512 1.00 4.57 C ATOM 1371 CD2 LEU A 84 13.883 3.735 -2.380 1.00 4.67 C ATOM 0 H LEU A 84 16.282 -0.461 -3.602 1.00 3.60 H new ATOM 0 HA LEU A 84 15.992 -0.044 -0.878 1.00 3.05 H new ATOM 0 HB2 LEU A 84 13.914 1.371 -0.899 1.00 3.01 H new ATOM 0 HB3 LEU A 84 15.470 2.174 -0.971 1.00 3.01 H new ATOM 0 HG LEU A 84 15.165 2.406 -3.457 1.00 4.01 H new ATOM 0 HD11 LEU A 84 12.904 2.202 -4.380 1.00 4.57 H new ATOM 0 HD12 LEU A 84 13.554 0.636 -3.839 1.00 4.57 H new ATOM 0 HD13 LEU A 84 12.349 1.490 -2.847 1.00 4.57 H new ATOM 0 HD21 LEU A 84 13.558 4.279 -3.267 1.00 4.67 H new ATOM 0 HD22 LEU A 84 13.058 3.674 -1.670 1.00 4.67 H new ATOM 0 HD23 LEU A 84 14.720 4.259 -1.919 1.00 4.67 H new ATOM 1383 N CYS A 85 13.603 -1.192 -1.188 1.00 2.66 N ATOM 1384 CA CYS A 85 12.788 -2.375 -1.311 1.00 3.24 C ATOM 1385 C CYS A 85 11.317 -2.033 -1.510 1.00 3.77 C ATOM 1386 O CYS A 85 10.970 -1.006 -2.076 1.00 4.31 O ATOM 1387 CB CYS A 85 12.988 -3.249 -0.076 1.00 3.79 C ATOM 1388 SG CYS A 85 12.344 -4.951 -0.210 1.00 4.64 S ATOM 0 H CYS A 85 13.453 -0.650 -0.337 1.00 2.66 H new ATOM 0 HA CYS A 85 13.101 -2.924 -2.199 1.00 3.24 H new ATOM 0 HB2 CYS A 85 14.054 -3.298 0.145 1.00 3.79 H new ATOM 0 HB3 CYS A 85 12.509 -2.763 0.774 1.00 3.79 H new ATOM 1393 N GLY A 86 10.475 -2.905 -1.001 1.00 4.00 N ATOM 1394 CA GLY A 86 9.096 -2.981 -1.438 1.00 4.75 C ATOM 1395 C GLY A 86 8.105 -2.357 -0.504 1.00 4.42 C ATOM 1396 O GLY A 86 6.944 -2.743 -0.503 1.00 5.13 O ATOM 0 H GLY A 86 10.724 -3.579 -0.276 1.00 4.00 H new ATOM 0 HA2 GLY A 86 9.011 -2.498 -2.411 1.00 4.75 H new ATOM 0 HA3 GLY A 86 8.831 -4.029 -1.579 1.00 4.75 H new ATOM 1400 N LYS A 87 8.543 -1.446 0.330 1.00 3.51 N ATOM 1401 CA LYS A 87 7.624 -0.842 1.266 1.00 3.25 C ATOM 1402 C LYS A 87 7.323 0.599 0.836 1.00 2.57 C ATOM 1403 O LYS A 87 8.036 1.148 0.003 1.00 2.57 O ATOM 1404 CB LYS A 87 8.165 -0.927 2.697 1.00 3.54 C ATOM 1405 CG LYS A 87 8.387 -2.328 3.253 1.00 4.49 C ATOM 1406 CD LYS A 87 9.704 -2.928 2.804 1.00 5.19 C ATOM 1407 CE LYS A 87 10.045 -4.142 3.636 1.00 6.18 C ATOM 1408 NZ LYS A 87 9.003 -5.197 3.537 1.00 6.95 N ATOM 0 H LYS A 87 9.505 -1.112 0.382 1.00 3.51 H new ATOM 0 HA LYS A 87 6.684 -1.394 1.260 1.00 3.25 H new ATOM 0 HB2 LYS A 87 9.112 -0.389 2.737 1.00 3.54 H new ATOM 0 HB3 LYS A 87 7.473 -0.403 3.356 1.00 3.54 H new ATOM 0 HG2 LYS A 87 8.360 -2.292 4.342 1.00 4.49 H new ATOM 0 HG3 LYS A 87 7.569 -2.975 2.936 1.00 4.49 H new ATOM 0 HD2 LYS A 87 9.643 -3.207 1.752 1.00 5.19 H new ATOM 0 HD3 LYS A 87 10.497 -2.185 2.892 1.00 5.19 H new ATOM 0 HE2 LYS A 87 11.003 -4.547 3.310 1.00 6.18 H new ATOM 0 HE3 LYS A 87 10.162 -3.846 4.678 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 9.351 -6.071 3.981 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 8.141 -4.880 4.025 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 8.787 -5.379 2.536 1.00 6.95 H new ATOM 1422 N ARG A 88 6.260 1.207 1.357 1.00 2.48 N ATOM 1423 CA ARG A 88 5.739 2.410 0.719 1.00 2.17 C ATOM 1424 C ARG A 88 4.945 3.354 1.619 1.00 1.70 C ATOM 1425 O ARG A 88 4.416 3.012 2.654 1.00 2.18 O ATOM 1426 CB ARG A 88 4.898 2.063 -0.506 1.00 3.14 C ATOM 1427 CG ARG A 88 4.844 3.153 -1.572 1.00 3.80 C ATOM 1428 CD ARG A 88 4.054 2.701 -2.792 1.00 4.78 C ATOM 1429 NE ARG A 88 4.156 3.649 -3.903 1.00 5.43 N ATOM 1430 CZ ARG A 88 3.668 3.426 -5.126 1.00 6.34 C ATOM 1431 NH1 ARG A 88 3.052 2.282 -5.412 1.00 6.69 N ATOM 1432 NH2 ARG A 88 3.808 4.349 -6.067 1.00 7.15 N ATOM 0 H ARG A 88 5.758 0.900 2.190 1.00 2.48 H new ATOM 0 HA ARG A 88 6.638 2.957 0.437 1.00 2.17 H new ATOM 0 HB2 ARG A 88 5.295 1.153 -0.956 1.00 3.14 H new ATOM 0 HB3 ARG A 88 3.882 1.841 -0.181 1.00 3.14 H new ATOM 0 HG2 ARG A 88 4.388 4.050 -1.154 1.00 3.80 H new ATOM 0 HG3 ARG A 88 5.857 3.421 -1.872 1.00 3.80 H new ATOM 0 HD2 ARG A 88 4.416 1.725 -3.116 1.00 4.78 H new ATOM 0 HD3 ARG A 88 3.006 2.577 -2.518 1.00 4.78 H new ATOM 0 HE ARG A 88 4.630 4.536 -3.732 1.00 5.43 H new ATOM 0 HH11 ARG A 88 2.949 1.565 -4.694 1.00 6.69 H new ATOM 0 HH12 ARG A 88 2.683 2.122 -6.349 1.00 6.69 H new ATOM 0 HH21 ARG A 88 4.287 5.225 -5.855 1.00 7.15 H new ATOM 0 HH22 ARG A 88 3.437 4.184 -7.003 1.00 7.15 H new ATOM 1446 N TYR A 89 4.776 4.525 1.097 1.00 1.34 N ATOM 1447 CA TYR A 89 4.020 5.585 1.705 1.00 1.31 C ATOM 1448 C TYR A 89 2.567 5.294 1.359 1.00 1.05 C ATOM 1449 O TYR A 89 2.287 4.264 0.741 1.00 1.43 O ATOM 1450 CB TYR A 89 4.476 6.937 1.153 1.00 2.13 C ATOM 1451 CG TYR A 89 5.974 7.146 1.254 1.00 2.67 C ATOM 1452 CD1 TYR A 89 6.834 6.642 0.288 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.527 7.865 2.309 1.00 2.94 C ATOM 1454 CE1 TYR A 89 8.198 6.847 0.369 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.889 8.071 2.398 1.00 3.68 C ATOM 1456 CZ TYR A 89 8.727 7.498 1.452 1.00 4.27 C ATOM 1457 OH TYR A 89 10.079 7.776 1.502 1.00 5.18 O ATOM 0 H TYR A 89 5.176 4.786 0.196 1.00 1.34 H new ATOM 0 HA TYR A 89 4.160 5.633 2.785 1.00 1.31 H new ATOM 0 HB2 TYR A 89 4.174 7.017 0.109 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.967 7.734 1.694 1.00 2.13 H new ATOM 0 HD1 TYR A 89 6.430 6.080 -0.541 1.00 3.40 H new ATOM 0 HD2 TYR A 89 5.879 8.269 3.072 1.00 2.94 H new ATOM 0 HE1 TYR A 89 8.846 6.495 -0.420 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.298 8.672 3.196 1.00 3.68 H new ATOM 0 HH TYR A 89 10.286 8.243 2.338 1.00 5.18 H new ATOM 1467 N GLU A 90 1.640 6.071 1.865 1.00 0.79 N ATOM 1468 CA GLU A 90 0.281 5.590 2.023 1.00 0.71 C ATOM 1469 C GLU A 90 -0.508 5.613 0.737 1.00 0.53 C ATOM 1470 O GLU A 90 -0.751 6.652 0.130 1.00 0.63 O ATOM 1471 CB GLU A 90 -0.439 6.445 3.061 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.956 6.359 2.991 1.00 1.28 C ATOM 1473 CD GLU A 90 -2.625 7.519 3.695 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -3.685 7.974 3.222 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -2.081 7.996 4.717 1.00 2.07 O ATOM 0 H GLU A 90 1.795 7.031 2.173 1.00 0.79 H new ATOM 0 HA GLU A 90 0.347 4.551 2.345 1.00 0.71 H new ATOM 0 HB2 GLU A 90 -0.114 6.140 4.056 1.00 1.07 H new ATOM 0 HB3 GLU A 90 -0.138 7.485 2.932 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -2.270 6.339 1.947 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -2.287 5.423 3.441 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.872 4.416 0.330 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.886 4.229 -0.666 1.00 0.43 C ATOM 1484 C LEU A 91 -3.171 3.973 0.079 1.00 0.43 C ATOM 1485 O LEU A 91 -3.293 2.990 0.809 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.566 3.047 -1.582 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.075 2.844 -1.872 1.00 0.93 C ATOM 1488 CD1 LEU A 91 0.194 1.430 -2.355 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.403 3.858 -2.900 1.00 1.02 C ATOM 0 H LEU A 91 -0.468 3.549 0.685 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.955 5.109 -1.305 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -1.961 2.137 -1.129 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.090 3.186 -2.528 1.00 0.50 H new ATOM 0 HG LEU A 91 0.479 2.996 -0.946 1.00 0.93 H new ATOM 0 HD11 LEU A 91 1.259 1.310 -2.554 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.114 0.719 -1.589 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.369 1.245 -3.269 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.464 3.703 -3.098 1.00 1.02 H new ATOM 0 HD22 LEU A 91 -0.160 3.732 -3.825 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.249 4.866 -2.516 1.00 1.02 H new ATOM 1501 N SER A 92 -4.111 4.858 -0.070 1.00 0.43 N ATOM 1502 CA SER A 92 -5.321 4.754 0.687 1.00 0.48 C ATOM 1503 C SER A 92 -6.365 4.109 -0.157 1.00 0.43 C ATOM 1504 O SER A 92 -6.360 4.215 -1.374 1.00 0.51 O ATOM 1505 CB SER A 92 -5.803 6.112 1.162 1.00 0.59 C ATOM 1506 OG SER A 92 -6.949 6.003 1.994 1.00 1.23 O ATOM 0 H SER A 92 -4.064 5.655 -0.705 1.00 0.43 H new ATOM 0 HA SER A 92 -5.125 4.149 1.572 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.003 6.611 1.709 1.00 0.59 H new ATOM 0 HB3 SER A 92 -6.038 6.736 0.300 1.00 0.59 H new ATOM 0 HG SER A 92 -7.230 6.896 2.282 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.256 3.451 0.497 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.263 2.712 -0.175 1.00 0.54 C ATOM 1514 C ALA A 93 -9.546 3.482 -0.137 1.00 0.62 C ATOM 1515 O ALA A 93 -9.792 4.248 0.806 1.00 0.83 O ATOM 1516 CB ALA A 93 -8.426 1.355 0.426 1.00 0.66 C ATOM 0 H ALA A 93 -7.307 3.410 1.515 1.00 0.52 H new ATOM 0 HA ALA A 93 -7.968 2.566 -1.214 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -9.204 0.811 -0.109 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -7.486 0.809 0.352 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -8.707 1.453 1.475 1.00 0.66 H new ATOM 1522 N ARG A 94 -10.349 3.298 -1.155 1.00 0.91 N ATOM 1523 CA ARG A 94 -11.557 4.059 -1.296 1.00 1.26 C ATOM 1524 C ARG A 94 -11.233 5.533 -1.451 1.00 0.70 C ATOM 1525 O ARG A 94 -10.343 5.886 -2.219 1.00 1.17 O ATOM 1526 CB ARG A 94 -12.492 3.774 -0.163 1.00 2.35 C ATOM 1527 CG ARG A 94 -12.870 2.300 -0.076 1.00 3.37 C ATOM 1528 CD ARG A 94 -14.044 2.038 0.853 1.00 4.38 C ATOM 1529 NE ARG A 94 -15.333 2.279 0.203 1.00 5.11 N ATOM 1530 CZ ARG A 94 -16.443 1.587 0.474 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -16.423 0.611 1.374 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -17.575 1.862 -0.158 1.00 6.80 N ATOM 0 H ARG A 94 -10.183 2.622 -1.901 1.00 0.91 H new ATOM 0 HA ARG A 94 -12.077 3.756 -2.205 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -12.028 4.083 0.774 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -13.396 4.371 -0.283 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -13.115 1.935 -1.073 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -12.007 1.730 0.269 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -14.004 1.007 1.203 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -13.958 2.677 1.732 1.00 4.38 H new ATOM 0 HE ARG A 94 -15.387 3.018 -0.498 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -15.557 0.386 1.863 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -17.274 0.086 1.576 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -17.602 2.606 -0.856 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -18.419 1.330 0.053 1.00 6.80 H new ATOM 1546 N MET A 95 -11.902 6.395 -0.710 1.00 0.84 N ATOM 1547 CA MET A 95 -12.080 7.768 -1.160 1.00 1.41 C ATOM 1548 C MET A 95 -12.511 7.748 -2.629 1.00 1.48 C ATOM 1549 O MET A 95 -12.164 8.634 -3.409 1.00 2.12 O ATOM 1550 CB MET A 95 -10.790 8.572 -1.002 1.00 2.09 C ATOM 1551 CG MET A 95 -10.081 8.327 0.312 1.00 2.32 C ATOM 1552 SD MET A 95 -8.905 9.629 0.736 1.00 3.26 S ATOM 1553 CE MET A 95 -9.996 11.044 0.892 1.00 3.27 C ATOM 0 H MET A 95 -12.326 6.178 0.192 1.00 0.84 H new ATOM 0 HA MET A 95 -12.845 8.248 -0.549 1.00 1.41 H new ATOM 0 HB2 MET A 95 -10.115 8.325 -1.821 1.00 2.09 H new ATOM 0 HB3 MET A 95 -11.021 9.634 -1.088 1.00 2.09 H new ATOM 0 HG2 MET A 95 -10.822 8.242 1.107 1.00 2.32 H new ATOM 0 HG3 MET A 95 -9.556 7.373 0.262 1.00 2.32 H new ATOM 0 HE1 MET A 95 -9.566 11.759 1.594 1.00 3.27 H new ATOM 0 HE2 MET A 95 -10.117 11.519 -0.082 1.00 3.27 H new ATOM 0 HE3 MET A 95 -10.968 10.715 1.259 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.258 6.694 -2.983 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.700 6.432 -4.342 1.00 1.45 C ATOM 1565 C ASP A 96 -12.538 6.087 -5.282 1.00 1.30 C ATOM 1566 O ASP A 96 -12.623 6.318 -6.488 1.00 1.97 O ATOM 1567 CB ASP A 96 -14.507 7.601 -4.880 1.00 1.76 C ATOM 1568 CG ASP A 96 -15.783 7.842 -4.099 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -16.727 7.030 -4.230 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -15.857 8.845 -3.358 1.00 2.86 O ATOM 0 H ASP A 96 -13.573 5.992 -2.314 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.343 5.553 -4.304 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -13.894 8.502 -4.854 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -14.755 7.415 -5.925 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.472 5.506 -4.727 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.320 5.043 -5.522 1.00 0.62 C ATOM 1577 C ALA A 97 -9.315 4.328 -4.633 1.00 0.60 C ATOM 1578 O ALA A 97 -9.667 3.734 -3.630 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.609 6.213 -6.224 1.00 0.55 C ATOM 0 H ALA A 97 -11.378 5.342 -3.725 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.707 4.359 -6.278 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.765 5.833 -6.800 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.308 6.715 -6.892 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.249 6.921 -5.477 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.080 4.312 -5.073 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.955 4.055 -4.218 1.00 0.34 C ATOM 1587 C ILE A 98 -6.009 5.239 -4.346 1.00 0.32 C ATOM 1588 O ILE A 98 -5.447 5.501 -5.413 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.263 2.720 -4.550 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.091 1.570 -3.961 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -4.820 2.706 -3.996 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -6.594 1.110 -2.639 1.00 0.50 C ATOM 0 H ILE A 98 -7.829 4.480 -6.047 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.287 3.951 -3.185 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.200 2.598 -5.631 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.128 1.891 -3.861 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.083 0.731 -4.657 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.346 1.755 -4.240 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.251 3.521 -4.443 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -4.845 2.832 -2.914 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -7.222 0.296 -2.277 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -5.567 0.759 -2.738 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -6.628 1.937 -1.930 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.896 5.978 -3.262 1.00 0.40 N ATOM 1605 CA TYR A 99 -5.233 7.269 -3.274 1.00 0.53 C ATOM 1606 C TYR A 99 -3.753 7.141 -2.986 1.00 0.63 C ATOM 1607 O TYR A 99 -3.344 6.434 -2.075 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.877 8.212 -2.256 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.942 9.111 -2.843 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -8.097 8.571 -3.392 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -6.797 10.491 -2.844 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -9.078 9.380 -3.929 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -7.775 11.308 -3.380 1.00 2.26 C ATOM 1614 CZ TYR A 99 -8.887 10.778 -3.920 1.00 2.77 C ATOM 1615 OH TYR A 99 -9.888 11.560 -4.456 1.00 3.67 O ATOM 0 H TYR A 99 -6.259 5.703 -2.349 1.00 0.40 H new ATOM 0 HA TYR A 99 -5.349 7.684 -4.275 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -6.317 7.619 -1.454 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -5.100 8.831 -1.806 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -8.230 7.499 -3.399 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -5.908 10.933 -2.420 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.976 8.951 -4.349 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -7.645 12.380 -3.365 1.00 2.26 H new ATOM 0 HH TYR A 99 -9.636 12.505 -4.389 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.965 7.833 -3.776 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.536 7.897 -3.573 1.00 0.91 C ATOM 1627 C PHE A 100 -1.221 9.092 -2.676 1.00 1.25 C ATOM 1628 O PHE A 100 -1.323 10.240 -3.111 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.845 8.038 -4.932 1.00 1.20 C ATOM 1630 CG PHE A 100 0.645 8.192 -4.874 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.231 9.437 -5.011 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.458 7.092 -4.655 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.600 9.583 -4.934 1.00 2.83 C ATOM 1634 CE2 PHE A 100 2.828 7.231 -4.580 1.00 2.91 C ATOM 1635 CZ PHE A 100 3.404 8.475 -4.820 1.00 3.12 C ATOM 0 H PHE A 100 -3.297 8.368 -4.578 1.00 0.72 H new ATOM 0 HA PHE A 100 -1.174 6.989 -3.091 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.081 7.161 -5.535 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -1.264 8.902 -5.448 1.00 1.20 H new ATOM 0 HD1 PHE A 100 0.610 10.304 -5.180 1.00 2.22 H new ATOM 0 HD2 PHE A 100 1.014 6.114 -4.542 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.040 10.569 -4.963 1.00 2.83 H new ATOM 0 HE2 PHE A 100 3.449 6.381 -4.337 1.00 2.91 H new ATOM 0 HZ PHE A 100 4.476 8.569 -4.916 1.00 3.12 H new ATOM 1645 N LYS A 101 -0.880 8.831 -1.422 1.00 1.07 N ATOM 1646 CA LYS A 101 -0.665 9.900 -0.461 1.00 1.43 C ATOM 1647 C LYS A 101 0.719 9.822 0.176 1.00 1.37 C ATOM 1648 O LYS A 101 1.159 8.769 0.639 1.00 1.55 O ATOM 1649 CB LYS A 101 -1.758 9.868 0.613 1.00 2.06 C ATOM 1650 CG LYS A 101 -1.515 10.815 1.779 1.00 2.92 C ATOM 1651 CD LYS A 101 -2.729 10.886 2.692 1.00 3.76 C ATOM 1652 CE LYS A 101 -2.385 11.473 4.050 1.00 4.58 C ATOM 1653 NZ LYS A 101 -1.438 10.608 4.802 1.00 5.15 N ATOM 0 H LYS A 101 -0.747 7.891 -1.049 1.00 1.07 H new ATOM 0 HA LYS A 101 -0.719 10.847 -0.997 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -2.713 10.117 0.151 1.00 2.06 H new ATOM 0 HB3 LYS A 101 -1.845 8.852 0.997 1.00 2.06 H new ATOM 0 HG2 LYS A 101 -0.648 10.480 2.348 1.00 2.92 H new ATOM 0 HG3 LYS A 101 -1.283 11.810 1.400 1.00 2.92 H new ATOM 0 HD2 LYS A 101 -3.503 11.492 2.220 1.00 3.76 H new ATOM 0 HD3 LYS A 101 -3.143 9.886 2.823 1.00 3.76 H new ATOM 0 HE2 LYS A 101 -1.947 12.462 3.918 1.00 4.58 H new ATOM 0 HE3 LYS A 101 -3.298 11.604 4.631 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 -1.691 10.612 5.811 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 -1.490 9.636 4.436 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 -0.470 10.970 4.686 1.00 5.15 H new ATOM 1667 N MET A 102 1.391 10.959 0.186 1.00 1.76 N ATOM 1668 CA MET A 102 2.709 11.095 0.786 1.00 2.21 C ATOM 1669 C MET A 102 3.061 12.567 0.844 1.00 2.42 C ATOM 1670 O MET A 102 2.422 13.374 0.177 1.00 2.62 O ATOM 1671 CB MET A 102 3.777 10.349 -0.023 1.00 2.82 C ATOM 1672 CG MET A 102 3.967 10.892 -1.433 1.00 3.61 C ATOM 1673 SD MET A 102 5.462 10.270 -2.232 1.00 4.57 S ATOM 1674 CE MET A 102 5.214 8.504 -2.092 1.00 5.14 C ATOM 0 H MET A 102 1.036 11.822 -0.225 1.00 1.76 H new ATOM 0 HA MET A 102 2.684 10.661 1.785 1.00 2.21 H new ATOM 0 HB2 MET A 102 4.727 10.403 0.509 1.00 2.82 H new ATOM 0 HB3 MET A 102 3.505 9.295 -0.083 1.00 2.82 H new ATOM 0 HG2 MET A 102 3.100 10.627 -2.039 1.00 3.61 H new ATOM 0 HG3 MET A 102 4.008 11.981 -1.395 1.00 3.61 H new ATOM 0 HE1 MET A 102 5.649 8.006 -2.958 1.00 5.14 H new ATOM 0 HE2 MET A 102 5.695 8.140 -1.184 1.00 5.14 H new ATOM 0 HE3 MET A 102 4.146 8.289 -2.048 1.00 5.14 H new ATOM 1684 N ASP A 103 4.056 12.925 1.635 1.00 2.92 N ATOM 1685 CA ASP A 103 4.526 14.301 1.656 1.00 3.46 C ATOM 1686 C ASP A 103 5.260 14.612 0.370 1.00 3.62 C ATOM 1687 O ASP A 103 5.569 13.696 -0.396 1.00 3.77 O ATOM 1688 CB ASP A 103 5.442 14.562 2.838 1.00 4.39 C ATOM 1689 CG ASP A 103 4.741 14.373 4.166 1.00 5.03 C ATOM 1690 OD1 ASP A 103 4.786 13.251 4.708 1.00 5.64 O ATOM 1691 OD2 ASP A 103 4.154 15.351 4.679 1.00 5.25 O ATOM 0 H ASP A 103 4.550 12.292 2.264 1.00 2.92 H new ATOM 0 HA ASP A 103 3.655 14.949 1.754 1.00 3.46 H new ATOM 0 HB2 ASP A 103 6.299 13.891 2.784 1.00 4.39 H new ATOM 0 HB3 ASP A 103 5.829 15.579 2.776 1.00 4.39 H new ATOM 1696 N GLU A 104 5.525 15.900 0.142 1.00 4.02 N ATOM 1697 CA GLU A 104 6.126 16.387 -1.102 1.00 4.43 C ATOM 1698 C GLU A 104 5.093 16.401 -2.227 1.00 4.28 C ATOM 1699 O GLU A 104 5.217 17.150 -3.197 1.00 4.73 O ATOM 1700 CB GLU A 104 7.335 15.537 -1.501 1.00 4.95 C ATOM 1701 CG GLU A 104 7.926 15.884 -2.859 1.00 5.34 C ATOM 1702 CD GLU A 104 8.836 14.799 -3.398 1.00 6.03 C ATOM 1703 OE1 GLU A 104 8.366 13.970 -4.210 1.00 6.26 O ATOM 1704 OE2 GLU A 104 10.026 14.771 -3.021 1.00 6.61 O ATOM 0 H GLU A 104 5.328 16.638 0.818 1.00 4.02 H new ATOM 0 HA GLU A 104 6.471 17.407 -0.930 1.00 4.43 H new ATOM 0 HB2 GLU A 104 8.109 15.649 -0.742 1.00 4.95 H new ATOM 0 HB3 GLU A 104 7.041 14.487 -1.504 1.00 4.95 H new ATOM 0 HG2 GLU A 104 7.117 16.059 -3.568 1.00 5.34 H new ATOM 0 HG3 GLU A 104 8.487 16.815 -2.779 1.00 5.34 H new ATOM 1711 N ARG A 105 4.057 15.589 -2.079 1.00 3.93 N ATOM 1712 CA ARG A 105 3.090 15.383 -3.151 1.00 3.96 C ATOM 1713 C ARG A 105 1.658 15.456 -2.626 1.00 3.41 C ATOM 1714 O ARG A 105 1.407 15.209 -1.449 1.00 3.35 O ATOM 1715 CB ARG A 105 3.343 14.022 -3.809 1.00 4.49 C ATOM 1716 CG ARG A 105 4.756 13.872 -4.346 1.00 4.98 C ATOM 1717 CD ARG A 105 4.984 12.512 -4.975 1.00 5.81 C ATOM 1718 NE ARG A 105 6.372 12.343 -5.399 1.00 6.29 N ATOM 1719 CZ ARG A 105 6.746 11.633 -6.460 1.00 7.10 C ATOM 1720 NH1 ARG A 105 5.833 11.042 -7.227 1.00 7.50 N ATOM 1721 NH2 ARG A 105 8.033 11.522 -6.762 1.00 7.74 N ATOM 0 H ARG A 105 3.863 15.061 -1.228 1.00 3.93 H new ATOM 0 HA ARG A 105 3.214 16.176 -3.888 1.00 3.96 H new ATOM 0 HB2 ARG A 105 3.152 13.233 -3.082 1.00 4.49 H new ATOM 0 HB3 ARG A 105 2.634 13.883 -4.625 1.00 4.49 H new ATOM 0 HG2 ARG A 105 4.947 14.650 -5.085 1.00 4.98 H new ATOM 0 HG3 ARG A 105 5.469 14.021 -3.535 1.00 4.98 H new ATOM 0 HD2 ARG A 105 4.723 11.731 -4.260 1.00 5.81 H new ATOM 0 HD3 ARG A 105 4.323 12.392 -5.833 1.00 5.81 H new ATOM 0 HE ARG A 105 7.099 12.798 -4.847 1.00 6.29 H new ATOM 0 HH11 ARG A 105 4.842 11.133 -7.002 1.00 7.50 H new ATOM 0 HH12 ARG A 105 6.124 10.499 -8.040 1.00 7.50 H new ATOM 0 HH21 ARG A 105 8.735 11.981 -6.181 1.00 7.74 H new ATOM 0 HH22 ARG A 105 8.321 10.978 -7.575 1.00 7.74 H new ATOM 1735 N PRO A 106 0.706 15.830 -3.491 1.00 3.33 N ATOM 1736 CA PRO A 106 -0.711 15.858 -3.140 1.00 3.10 C ATOM 1737 C PRO A 106 -1.367 14.482 -3.275 1.00 2.43 C ATOM 1738 O PRO A 106 -1.145 13.778 -4.263 1.00 2.29 O ATOM 1739 CB PRO A 106 -1.292 16.834 -4.161 1.00 3.53 C ATOM 1740 CG PRO A 106 -0.430 16.682 -5.368 1.00 4.00 C ATOM 1741 CD PRO A 106 0.939 16.280 -4.878 1.00 3.83 C ATOM 0 HA PRO A 106 -0.879 16.148 -2.103 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -2.332 16.598 -4.386 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -1.271 17.857 -3.786 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -0.837 15.927 -6.041 1.00 4.00 H new ATOM 0 HG3 PRO A 106 -0.381 17.616 -5.928 1.00 4.00 H new ATOM 0 HD2 PRO A 106 1.364 15.484 -5.490 1.00 3.83 H new ATOM 0 HD3 PRO A 106 1.637 17.116 -4.914 1.00 3.83 H new ATOM 1749 N PRO A 107 -2.167 14.073 -2.272 1.00 2.31 N ATOM 1750 CA PRO A 107 -2.897 12.803 -2.316 1.00 1.85 C ATOM 1751 C PRO A 107 -3.820 12.730 -3.528 1.00 1.51 C ATOM 1752 O PRO A 107 -4.800 13.472 -3.627 1.00 1.80 O ATOM 1753 CB PRO A 107 -3.708 12.789 -1.011 1.00 2.23 C ATOM 1754 CG PRO A 107 -3.675 14.190 -0.498 1.00 2.91 C ATOM 1755 CD PRO A 107 -2.408 14.805 -1.021 1.00 2.93 C ATOM 0 HA PRO A 107 -2.227 11.948 -2.405 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -4.732 12.462 -1.190 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -3.275 12.097 -0.288 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -4.547 14.749 -0.838 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -3.693 14.205 0.592 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -2.523 15.875 -1.197 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -1.583 14.684 -0.319 1.00 2.93 H new ATOM 1763 N GLN A 108 -3.504 11.832 -4.448 1.00 1.09 N ATOM 1764 CA GLN A 108 -4.193 11.776 -5.729 1.00 0.94 C ATOM 1765 C GLN A 108 -4.770 10.389 -6.001 1.00 0.70 C ATOM 1766 O GLN A 108 -4.208 9.380 -5.577 1.00 0.64 O ATOM 1767 CB GLN A 108 -3.221 12.161 -6.845 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.934 11.348 -6.837 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.855 11.927 -7.734 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.826 13.246 -7.856 1.00 2.57 O flip ATOM 1771 NE2 GLN A 108 -0.040 11.194 -8.297 1.00 2.71 N flip ATOM 0 H GLN A 108 -2.773 11.130 -4.331 1.00 1.09 H new ATOM 0 HA GLN A 108 -5.025 12.480 -5.697 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.716 12.033 -7.807 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.974 13.219 -6.752 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -1.556 11.289 -5.816 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -2.154 10.329 -7.155 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -0.096 10.183 -8.178 1.00 2.71 H new ATOM 0 HE22 GLN A 108 0.691 11.599 -8.882 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.918 10.332 -6.697 1.00 0.68 N ATOM 1781 CA PRO A 109 -6.515 9.073 -7.157 1.00 0.55 C ATOM 1782 C PRO A 109 -5.596 8.342 -8.128 1.00 0.56 C ATOM 1783 O PRO A 109 -5.588 8.627 -9.327 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.787 9.515 -7.884 1.00 0.65 C ATOM 1785 CG PRO A 109 -8.076 10.878 -7.368 1.00 0.82 C ATOM 1786 CD PRO A 109 -6.740 11.493 -7.075 1.00 0.91 C ATOM 0 HA PRO A 109 -6.700 8.384 -6.332 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.640 9.526 -8.964 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.613 8.834 -7.682 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -8.625 11.467 -8.103 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -8.692 10.834 -6.470 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -6.334 12.009 -7.945 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -6.800 12.225 -6.269 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.822 7.406 -7.606 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.833 6.700 -8.404 1.00 0.61 C ATOM 1796 C LEU A 110 -4.445 5.495 -9.058 1.00 0.51 C ATOM 1797 O LEU A 110 -4.119 5.132 -10.187 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.698 6.228 -7.516 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.399 5.878 -8.246 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -0.711 7.135 -8.758 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.471 5.084 -7.339 1.00 1.61 C ATOM 0 H LEU A 110 -4.859 7.116 -6.629 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.463 7.385 -9.166 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.485 7.006 -6.782 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -3.032 5.350 -6.963 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.648 5.256 -9.106 1.00 1.22 H new ATOM 0 HD11 LEU A 110 0.210 6.862 -9.273 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -1.373 7.656 -9.450 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -0.476 7.789 -7.918 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.447 4.845 -7.877 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -0.231 5.676 -6.456 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.963 4.161 -7.033 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.355 4.911 -8.334 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.904 3.614 -8.671 1.00 0.48 C ATOM 1815 C ASN A 111 -7.292 3.586 -8.131 1.00 0.42 C ATOM 1816 O ASN A 111 -7.795 4.614 -7.711 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.076 2.471 -8.043 1.00 0.60 C ATOM 1818 CG ASN A 111 -3.818 2.121 -8.829 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -2.809 1.711 -8.256 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -3.870 2.263 -10.144 1.00 1.75 N ATOM 0 H ASN A 111 -5.745 5.319 -7.484 1.00 0.42 H new ATOM 0 HA ASN A 111 -5.886 3.466 -9.751 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.793 2.754 -7.029 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.702 1.583 -7.963 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -3.057 2.030 -10.715 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -4.723 2.606 -10.587 1.00 1.75 H new ATOM 1827 N LYS A 112 -7.924 2.446 -8.154 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.132 2.272 -7.426 1.00 0.60 C ATOM 1829 C LYS A 112 -9.248 0.856 -6.953 1.00 0.72 C ATOM 1830 O LYS A 112 -8.886 -0.076 -7.664 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.325 2.629 -8.283 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.409 1.870 -9.599 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.716 2.156 -10.322 1.00 1.68 C ATOM 1834 CE LYS A 112 -11.777 1.456 -11.670 1.00 2.31 C ATOM 1835 NZ LYS A 112 -10.794 2.015 -12.636 1.00 2.93 N ATOM 0 H LYS A 112 -7.614 1.625 -8.674 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.113 2.936 -6.562 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.235 2.442 -7.712 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.296 3.698 -8.496 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.570 2.150 -10.236 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.323 0.800 -9.410 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.553 1.830 -9.704 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -11.825 3.231 -10.465 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -11.586 0.392 -11.534 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.782 1.549 -12.081 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -11.003 1.657 -13.590 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -10.857 3.053 -12.634 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -9.834 1.726 -12.360 1.00 2.93 H new ATOM 1849 N TRP A 113 -9.745 0.713 -5.748 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.036 -0.582 -5.188 1.00 0.97 C ATOM 1851 C TRP A 113 -11.168 -1.210 -5.965 1.00 1.02 C ATOM 1852 O TRP A 113 -11.742 -0.582 -6.860 1.00 1.12 O ATOM 1853 CB TRP A 113 -10.467 -0.454 -3.741 1.00 1.07 C ATOM 1854 CG TRP A 113 -11.710 0.380 -3.601 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.815 1.729 -3.766 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.029 -0.090 -3.298 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -13.115 2.128 -3.590 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.880 1.029 -3.295 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -13.573 -1.351 -3.028 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.243 0.925 -3.035 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -14.925 -1.452 -2.768 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.747 -0.319 -2.773 1.00 2.20 C ATOM 0 H TRP A 113 -9.959 1.494 -5.128 1.00 0.77 H new ATOM 0 HA TRP A 113 -9.137 -1.195 -5.244 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -10.646 -1.446 -3.326 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -9.661 -0.006 -3.160 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.993 2.388 -4.001 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -13.457 3.086 -3.666 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -12.946 -2.230 -3.023 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.881 1.797 -3.040 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -15.355 -2.420 -2.558 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.801 -0.430 -2.566 1.00 2.20 H new ATOM 1873 N ARG A 114 -11.522 -2.424 -5.621 1.00 1.34 N ATOM 1874 CA ARG A 114 -12.585 -3.070 -6.330 1.00 1.50 C ATOM 1875 C ARG A 114 -13.287 -4.105 -5.504 1.00 1.82 C ATOM 1876 O ARG A 114 -12.728 -4.685 -4.571 1.00 2.41 O ATOM 1877 CB ARG A 114 -12.046 -3.665 -7.608 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.028 -4.471 -8.440 1.00 2.76 C ATOM 1879 CD ARG A 114 -12.560 -4.605 -9.881 1.00 3.56 C ATOM 1880 NE ARG A 114 -11.211 -5.153 -9.979 1.00 4.38 N ATOM 1881 CZ ARG A 114 -10.500 -5.190 -11.103 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -11.013 -4.722 -12.235 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -9.276 -5.698 -11.093 1.00 6.29 N ATOM 0 H ARG A 114 -11.098 -2.970 -4.871 1.00 1.34 H new ATOM 0 HA ARG A 114 -13.336 -2.316 -6.567 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -11.658 -2.855 -8.226 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -11.202 -4.307 -7.357 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.150 -5.462 -8.002 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -14.006 -3.990 -8.417 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -13.251 -5.248 -10.426 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -12.588 -3.627 -10.362 1.00 3.56 H new ATOM 0 HE ARG A 114 -10.786 -5.532 -9.132 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -11.956 -4.332 -12.245 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -10.464 -4.752 -13.094 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -8.881 -6.060 -10.225 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -8.729 -5.727 -11.953 1.00 6.29 H new ATOM 1897 N SER A 115 -14.486 -4.327 -5.975 1.00 2.02 N ATOM 1898 CA SER A 115 -15.549 -5.129 -5.363 1.00 2.76 C ATOM 1899 C SER A 115 -16.866 -4.374 -5.509 1.00 3.19 C ATOM 1900 O SER A 115 -17.522 -4.095 -4.485 1.00 3.60 O ATOM 1901 CB SER A 115 -15.312 -5.440 -3.888 1.00 3.33 C ATOM 1902 OG SER A 115 -14.340 -6.460 -3.714 1.00 4.01 O ATOM 1903 OXT SER A 115 -17.210 -4.010 -6.652 1.00 3.62 O ATOM 0 H SER A 115 -14.782 -3.927 -6.865 1.00 2.02 H new ATOM 0 HA SER A 115 -15.569 -6.088 -5.881 1.00 2.76 H new ATOM 0 HB2 SER A 115 -14.986 -4.536 -3.374 1.00 3.33 H new ATOM 0 HB3 SER A 115 -16.250 -5.749 -3.426 1.00 3.33 H new ATOM 0 HG SER A 115 -13.494 -6.179 -4.122 1.00 4.01 H new TER 1909 SER A 115