USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 996 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 48 SER OG : rot -137:sc= 1.22 USER MOD Set 1.2: A 66 HIS : no HE2:sc= -6.24! C(o=-5!,f=-18!) USER MOD Set 2.1: A 42 MET CE :methyl 163:sc= -0.0767 (180deg=-0.42) USER MOD Set 2.2: A 76 THR OG1 : rot 90:sc= 1.12 USER MOD Set 3.1: A 37 THR OG1 : rot -41:sc= 1.83 USER MOD Set 3.2: A 39 CYS SG : rot -78:sc= 0.736 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 HIS : no HE2:sc= -1.99! C(o=-2!,f=-7.6!) USER MOD Set 5.1: A 1 GLN : amide:sc= -3.64! K(o=-7.9!,f=-3.1) USER MOD Set 5.2: A 3 GLN : amide:sc= -4.26! C(o=-7.9!,f=-3.1!) USER MOD Single : A 1 GLN N :NH3+ -110:sc= 0.13 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.6) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.201) USER MOD Single : A 32 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.14) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 1.07 (180deg=0.886) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.12) USER MOD Single : A 49 MET CE :methyl 148:sc= -2.52 (180deg=-5.13!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.1) USER MOD Single : A 58 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.023) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0.405 (180deg=0.341) USER MOD Single : A 63 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.52) USER MOD Single : A 68 ASN : amide:sc= 0.926 K(o=0.93,f=-0.34) USER MOD Single : A 81 GLN : amide:sc= 0.609 K(o=0.61,f=-8.2!) USER MOD Single : A 82 ASN : amide:sc= -0.0947 K(o=-0.095,f=-4!) USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= -0.0405 (180deg=-0.27) USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= -1.42 (180deg=-1.95) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc=-0.000102 (180deg=-0.0497) USER MOD Single : A 97 LYS NZ :NH3+ -151:sc= 0.197 (180deg=-0.364) USER MOD Single : A 108 SER OG : rot -58:sc= 1.05 USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= -0.0424 (180deg=-0.227) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 165:sc= -0.0385 (180deg=-0.376) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 163:sc= -0.138 (180deg=-0.645) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.229 15.145 -12.279 1.00 0.76 N ATOM 2 CA GLN A 1 -9.521 14.797 -11.028 1.00 0.55 C ATOM 3 C GLN A 1 -8.332 13.914 -11.353 1.00 0.49 C ATOM 4 O GLN A 1 -8.213 13.411 -12.470 1.00 0.60 O ATOM 5 CB GLN A 1 -10.458 14.059 -10.062 1.00 0.52 C ATOM 6 CG GLN A 1 -10.543 12.564 -10.311 1.00 0.69 C ATOM 7 CD GLN A 1 -11.754 11.921 -9.669 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.823 11.847 -10.269 1.00 1.40 O ATOM 9 NE2 GLN A 1 -11.593 11.435 -8.452 1.00 0.88 N ATOM 0 H1 GLN A 1 -10.087 16.154 -12.489 1.00 0.76 H new ATOM 0 H2 GLN A 1 -9.853 14.572 -13.061 1.00 0.76 H new ATOM 0 H3 GLN A 1 -11.245 14.954 -12.167 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.182 15.716 -10.550 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.118 14.229 -9.040 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.457 14.488 -10.141 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -10.570 12.382 -11.385 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -9.641 12.087 -9.929 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -10.689 11.516 -7.986 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -12.372 10.979 -7.978 1.00 0.88 H new ATOM 20 N LEU A 2 -7.466 13.714 -10.381 1.00 0.39 N ATOM 21 CA LEU A 2 -6.362 12.797 -10.542 1.00 0.36 C ATOM 22 C LEU A 2 -6.518 11.627 -9.597 1.00 0.26 C ATOM 23 O LEU A 2 -6.839 11.805 -8.420 1.00 0.27 O ATOM 24 CB LEU A 2 -5.025 13.491 -10.278 1.00 0.48 C ATOM 25 CG LEU A 2 -4.361 14.120 -11.497 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.083 14.835 -11.085 1.00 1.45 C ATOM 27 CD2 LEU A 2 -4.066 13.055 -12.544 1.00 1.32 C ATOM 0 H LEU A 2 -7.507 14.175 -9.472 1.00 0.39 H new ATOM 0 HA LEU A 2 -6.369 12.440 -11.572 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.180 14.268 -9.529 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -4.337 12.764 -9.846 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.042 14.851 -11.933 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -2.616 15.281 -11.963 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -3.320 15.617 -10.364 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -2.396 14.120 -10.633 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -3.592 13.517 -13.410 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.398 12.305 -12.122 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.997 12.579 -12.851 1.00 1.32 H new ATOM 39 N GLN A 3 -6.319 10.433 -10.115 1.00 0.24 N ATOM 40 CA GLN A 3 -6.232 9.266 -9.272 1.00 0.22 C ATOM 41 C GLN A 3 -4.878 8.624 -9.489 1.00 0.22 C ATOM 42 O GLN A 3 -4.456 8.432 -10.630 1.00 0.25 O ATOM 43 CB GLN A 3 -7.325 8.235 -9.596 1.00 0.24 C ATOM 44 CG GLN A 3 -8.707 8.809 -9.886 1.00 0.26 C ATOM 45 CD GLN A 3 -9.831 7.830 -9.556 1.00 0.26 C ATOM 46 OE1 GLN A 3 -10.956 8.235 -9.265 1.00 0.33 O ATOM 47 NE2 GLN A 3 -9.533 6.534 -9.577 1.00 0.25 N ATOM 0 H GLN A 3 -6.215 10.248 -11.113 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.367 9.581 -8.237 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.005 7.652 -10.460 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.407 7.544 -8.757 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -8.845 9.723 -9.308 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.768 9.085 -10.939 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -8.590 6.231 -9.823 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -10.247 5.843 -9.348 1.00 0.25 H new ATOM 56 N GLU A 4 -4.192 8.302 -8.414 1.00 0.22 N ATOM 57 CA GLU A 4 -2.959 7.553 -8.528 1.00 0.25 C ATOM 58 C GLU A 4 -3.129 6.239 -7.810 1.00 0.23 C ATOM 59 O GLU A 4 -3.389 6.206 -6.607 1.00 0.27 O ATOM 60 CB GLU A 4 -1.770 8.315 -7.952 1.00 0.30 C ATOM 61 CG GLU A 4 -1.757 9.787 -8.314 1.00 0.28 C ATOM 62 CD GLU A 4 -0.355 10.370 -8.347 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.340 10.342 -7.311 1.00 0.75 O ATOM 64 OE2 GLU A 4 0.070 10.839 -9.426 1.00 0.88 O ATOM 0 H GLU A 4 -4.463 8.544 -7.461 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.749 7.388 -9.585 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.778 8.217 -6.866 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.848 7.854 -8.307 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.225 9.921 -9.289 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.359 10.340 -7.593 1.00 0.28 H new ATOM 71 N LYS A 5 -3.000 5.157 -8.543 1.00 0.24 N ATOM 72 CA LYS A 5 -3.227 3.856 -7.970 1.00 0.25 C ATOM 73 C LYS A 5 -1.909 3.143 -7.810 1.00 0.25 C ATOM 74 O LYS A 5 -1.212 2.860 -8.787 1.00 0.30 O ATOM 75 CB LYS A 5 -4.174 2.992 -8.814 1.00 0.30 C ATOM 76 CG LYS A 5 -5.425 3.703 -9.326 1.00 0.40 C ATOM 77 CD LYS A 5 -5.162 4.515 -10.587 1.00 0.66 C ATOM 78 CE LYS A 5 -4.694 3.634 -11.737 1.00 1.21 C ATOM 79 NZ LYS A 5 -4.389 4.425 -12.958 1.00 1.43 N ATOM 0 H LYS A 5 -2.741 5.154 -9.530 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.704 4.008 -7.002 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.620 2.605 -9.669 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.483 2.133 -8.219 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.201 2.965 -9.529 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.808 4.362 -8.547 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -6.072 5.040 -10.878 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.408 5.274 -10.380 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -3.805 3.082 -11.432 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -5.464 2.897 -11.966 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -4.074 3.786 -13.716 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.243 4.932 -13.265 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -3.636 5.111 -12.748 1.00 1.43 H new ATOM 93 N LEU A 6 -1.578 2.864 -6.578 1.00 0.23 N ATOM 94 CA LEU A 6 -0.370 2.153 -6.260 1.00 0.25 C ATOM 95 C LEU A 6 -0.740 0.699 -6.026 1.00 0.24 C ATOM 96 O LEU A 6 -1.222 0.328 -4.954 1.00 0.24 O ATOM 97 CB LEU A 6 0.278 2.805 -5.040 1.00 0.26 C ATOM 98 CG LEU A 6 0.281 4.338 -5.098 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.642 4.936 -3.756 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.237 4.838 -6.173 1.00 0.30 C ATOM 0 H LEU A 6 -2.139 3.123 -5.766 1.00 0.23 H new ATOM 0 HA LEU A 6 0.360 2.193 -7.069 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.250 2.484 -4.142 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.305 2.450 -4.950 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.728 4.660 -5.354 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.636 6.024 -3.829 1.00 0.32 H new ATOM 0 HD12 LEU A 6 -0.085 4.618 -3.009 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.636 4.598 -3.462 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.222 5.928 -6.195 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.247 4.494 -5.951 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.927 4.451 -7.144 1.00 0.30 H new ATOM 112 N TYR A 7 -0.582 -0.099 -7.071 1.00 0.27 N ATOM 113 CA TYR A 7 -1.099 -1.458 -7.091 1.00 0.27 C ATOM 114 C TYR A 7 -0.266 -2.406 -6.256 1.00 0.29 C ATOM 115 O TYR A 7 0.966 -2.412 -6.325 1.00 0.38 O ATOM 116 CB TYR A 7 -1.194 -1.982 -8.527 1.00 0.32 C ATOM 117 CG TYR A 7 -2.540 -1.745 -9.166 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.873 -0.513 -9.709 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.486 -2.762 -9.213 1.00 0.36 C ATOM 120 CE1 TYR A 7 -4.111 -0.301 -10.286 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.724 -2.558 -9.784 1.00 0.46 C ATOM 122 CZ TYR A 7 -5.033 -1.326 -10.320 1.00 0.56 C ATOM 123 OH TYR A 7 -6.272 -1.117 -10.879 1.00 0.69 O ATOM 0 H TYR A 7 -0.095 0.175 -7.924 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.096 -1.418 -6.652 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.424 -1.503 -9.132 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.982 -3.051 -8.530 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.154 0.293 -9.681 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.247 -3.729 -8.795 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.355 0.663 -10.708 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.448 -3.359 -9.811 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.800 -1.941 -10.823 1.00 0.69 H new ATOM 133 N VAL A 8 -0.963 -3.195 -5.462 1.00 0.24 N ATOM 134 CA VAL A 8 -0.360 -4.280 -4.726 1.00 0.26 C ATOM 135 C VAL A 8 -1.146 -5.549 -5.009 1.00 0.26 C ATOM 136 O VAL A 8 -2.282 -5.702 -4.578 1.00 0.26 O ATOM 137 CB VAL A 8 -0.357 -3.992 -3.211 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.732 -2.994 -2.857 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.722 -3.477 -2.766 1.00 1.27 C ATOM 0 H VAL A 8 -1.967 -3.098 -5.311 1.00 0.24 H new ATOM 0 HA VAL A 8 0.676 -4.395 -5.044 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.150 -4.923 -2.684 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.717 -2.805 -1.784 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.703 -3.400 -3.140 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.558 -2.061 -3.393 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.704 -3.278 -1.694 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.956 -2.557 -3.302 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.482 -4.227 -2.983 1.00 1.27 H new ATOM 149 N PRO A 9 -0.552 -6.489 -5.727 1.00 0.32 N ATOM 150 CA PRO A 9 -1.265 -7.681 -6.146 1.00 0.37 C ATOM 151 C PRO A 9 -1.543 -8.608 -4.973 1.00 0.34 C ATOM 152 O PRO A 9 -0.702 -9.413 -4.581 1.00 0.35 O ATOM 153 CB PRO A 9 -0.327 -8.318 -7.165 1.00 0.44 C ATOM 154 CG PRO A 9 1.032 -7.835 -6.791 1.00 0.43 C ATOM 155 CD PRO A 9 0.843 -6.471 -6.184 1.00 0.39 C ATOM 0 HA PRO A 9 -2.248 -7.462 -6.563 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.384 -9.406 -7.128 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.586 -8.020 -8.181 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.504 -8.514 -6.081 1.00 0.43 H new ATOM 0 HG3 PRO A 9 1.681 -7.785 -7.665 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.534 -6.300 -5.358 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.016 -5.680 -6.913 1.00 0.39 H new ATOM 163 N VAL A 10 -2.724 -8.461 -4.398 1.00 0.34 N ATOM 164 CA VAL A 10 -3.127 -9.254 -3.247 1.00 0.36 C ATOM 165 C VAL A 10 -3.208 -10.731 -3.623 1.00 0.43 C ATOM 166 O VAL A 10 -3.039 -11.618 -2.792 1.00 0.47 O ATOM 167 CB VAL A 10 -4.484 -8.777 -2.692 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.612 -9.051 -3.675 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.765 -9.409 -1.338 1.00 0.52 C ATOM 0 H VAL A 10 -3.428 -7.793 -4.713 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.374 -9.124 -2.470 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.429 -7.697 -2.554 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.555 -8.703 -3.253 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.416 -8.525 -4.609 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.674 -10.122 -3.868 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.727 -9.058 -0.965 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.789 -10.494 -1.441 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.980 -9.129 -0.636 1.00 0.52 H new ATOM 179 N LYS A 11 -3.454 -10.976 -4.900 1.00 0.49 N ATOM 180 CA LYS A 11 -3.480 -12.331 -5.432 1.00 0.58 C ATOM 181 C LYS A 11 -2.068 -12.915 -5.460 1.00 0.53 C ATOM 182 O LYS A 11 -1.882 -14.132 -5.461 1.00 0.60 O ATOM 183 CB LYS A 11 -4.089 -12.348 -6.837 1.00 0.72 C ATOM 184 CG LYS A 11 -5.544 -11.905 -6.880 1.00 1.27 C ATOM 185 CD LYS A 11 -6.152 -12.126 -8.256 1.00 1.76 C ATOM 186 CE LYS A 11 -5.515 -11.231 -9.306 1.00 2.24 C ATOM 187 NZ LYS A 11 -6.037 -11.521 -10.668 1.00 2.93 N ATOM 0 H LYS A 11 -3.640 -10.250 -5.592 1.00 0.49 H new ATOM 0 HA LYS A 11 -4.102 -12.945 -4.780 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.502 -11.698 -7.486 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -4.014 -13.357 -7.244 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -6.116 -12.458 -6.135 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -5.612 -10.850 -6.616 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -6.028 -13.170 -8.545 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -7.224 -11.932 -8.215 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -5.706 -10.187 -9.058 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -4.434 -11.369 -9.294 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -5.579 -10.891 -11.357 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -5.833 -12.510 -10.915 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -7.065 -11.365 -10.686 1.00 2.93 H new ATOM 201 N GLU A 12 -1.080 -12.029 -5.488 1.00 0.45 N ATOM 202 CA GLU A 12 0.319 -12.425 -5.429 1.00 0.44 C ATOM 203 C GLU A 12 0.732 -12.715 -3.998 1.00 0.39 C ATOM 204 O GLU A 12 1.529 -13.617 -3.733 1.00 0.43 O ATOM 205 CB GLU A 12 1.199 -11.329 -6.006 1.00 0.46 C ATOM 206 CG GLU A 12 1.079 -11.200 -7.515 1.00 0.60 C ATOM 207 CD GLU A 12 1.418 -12.482 -8.244 1.00 0.77 C ATOM 208 OE1 GLU A 12 2.621 -12.769 -8.419 1.00 0.97 O ATOM 209 OE2 GLU A 12 0.488 -13.208 -8.643 1.00 0.96 O ATOM 0 H GLU A 12 -1.226 -11.022 -5.552 1.00 0.45 H new ATOM 0 HA GLU A 12 0.443 -13.332 -6.020 1.00 0.44 H new ATOM 0 HB2 GLU A 12 0.934 -10.378 -5.544 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.238 -11.531 -5.746 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.062 -10.901 -7.769 1.00 0.60 H new ATOM 0 HG3 GLU A 12 1.741 -10.406 -7.861 1.00 0.60 H new ATOM 216 N TYR A 13 0.179 -11.947 -3.075 1.00 0.34 N ATOM 217 CA TYR A 13 0.489 -12.107 -1.667 1.00 0.35 C ATOM 218 C TYR A 13 -0.788 -12.361 -0.880 1.00 0.39 C ATOM 219 O TYR A 13 -1.290 -11.469 -0.196 1.00 0.40 O ATOM 220 CB TYR A 13 1.178 -10.858 -1.120 1.00 0.34 C ATOM 221 CG TYR A 13 2.288 -10.324 -1.995 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.020 -9.471 -3.055 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.606 -10.684 -1.762 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.036 -8.999 -3.864 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.626 -10.219 -2.557 1.00 0.48 C ATOM 226 CZ TYR A 13 4.315 -9.308 -3.601 1.00 0.46 C ATOM 227 OH TYR A 13 5.359 -8.912 -4.413 1.00 0.53 O ATOM 0 H TYR A 13 -0.490 -11.204 -3.278 1.00 0.34 H new ATOM 0 HA TYR A 13 1.162 -12.958 -1.560 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.431 -10.076 -0.984 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.586 -11.085 -0.135 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.001 -9.171 -3.251 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.836 -11.344 -0.938 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.799 -8.377 -4.714 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.644 -10.540 -2.391 1.00 0.48 H new ATOM 0 HH TYR A 13 6.205 -9.240 -4.042 1.00 0.53 H new ATOM 237 N PRO A 14 -1.361 -13.568 -0.986 1.00 0.47 N ATOM 238 CA PRO A 14 -2.578 -13.915 -0.259 1.00 0.55 C ATOM 239 C PRO A 14 -2.323 -13.978 1.238 1.00 0.59 C ATOM 240 O PRO A 14 -3.245 -13.861 2.050 1.00 0.68 O ATOM 241 CB PRO A 14 -2.958 -15.299 -0.805 1.00 0.64 C ATOM 242 CG PRO A 14 -2.140 -15.472 -2.042 1.00 0.75 C ATOM 243 CD PRO A 14 -0.887 -14.682 -1.815 1.00 0.52 C ATOM 0 HA PRO A 14 -3.368 -13.177 -0.396 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.742 -16.082 -0.078 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -4.024 -15.355 -1.027 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -1.913 -16.524 -2.217 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.677 -15.111 -2.920 1.00 0.75 H new ATOM 0 HD2 PRO A 14 -0.123 -15.270 -1.307 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.451 -14.334 -2.752 1.00 0.52 H new ATOM 251 N ASP A 15 -1.058 -14.140 1.598 1.00 0.57 N ATOM 252 CA ASP A 15 -0.664 -14.240 2.992 1.00 0.67 C ATOM 253 C ASP A 15 -0.318 -12.868 3.551 1.00 0.62 C ATOM 254 O ASP A 15 -0.229 -12.692 4.767 1.00 0.76 O ATOM 255 CB ASP A 15 0.538 -15.170 3.135 1.00 0.78 C ATOM 256 CG ASP A 15 1.779 -14.625 2.453 1.00 1.64 C ATOM 257 OD1 ASP A 15 1.691 -14.264 1.261 1.00 2.43 O ATOM 258 OD2 ASP A 15 2.840 -14.546 3.109 1.00 2.15 O ATOM 0 H ASP A 15 -0.284 -14.205 0.937 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.503 -14.648 3.555 1.00 0.67 H new ATOM 0 HB2 ASP A 15 0.748 -15.327 4.193 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.292 -16.144 2.711 1.00 0.78 H new ATOM 263 N PHE A 16 -0.149 -11.895 2.671 1.00 0.48 N ATOM 264 CA PHE A 16 0.104 -10.535 3.103 1.00 0.43 C ATOM 265 C PHE A 16 -1.123 -9.688 2.865 1.00 0.37 C ATOM 266 O PHE A 16 -1.470 -9.351 1.733 1.00 0.36 O ATOM 267 CB PHE A 16 1.311 -9.924 2.392 1.00 0.41 C ATOM 268 CG PHE A 16 1.825 -8.696 3.093 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.630 -8.819 4.213 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.495 -7.423 2.650 1.00 0.34 C ATOM 271 CE1 PHE A 16 3.095 -7.701 4.877 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.961 -6.302 3.307 1.00 0.36 C ATOM 273 CZ PHE A 16 2.760 -6.440 4.422 1.00 0.49 C ATOM 0 H PHE A 16 -0.183 -12.022 1.660 1.00 0.48 H new ATOM 0 HA PHE A 16 0.332 -10.561 4.168 1.00 0.43 H new ATOM 0 HB2 PHE A 16 2.108 -10.665 2.331 1.00 0.41 H new ATOM 0 HB3 PHE A 16 1.036 -9.667 1.369 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.898 -9.802 4.572 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.865 -7.308 1.780 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.720 -7.812 5.751 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.700 -5.318 2.948 1.00 0.36 H new ATOM 0 HZ PHE A 16 3.123 -5.564 4.939 1.00 0.49 H new ATOM 283 N ASN A 17 -1.776 -9.353 3.949 1.00 0.37 N ATOM 284 CA ASN A 17 -2.965 -8.539 3.907 1.00 0.35 C ATOM 285 C ASN A 17 -2.597 -7.076 3.772 1.00 0.30 C ATOM 286 O ASN A 17 -2.384 -6.403 4.771 1.00 0.30 O ATOM 287 CB ASN A 17 -3.789 -8.749 5.179 1.00 0.45 C ATOM 288 CG ASN A 17 -2.927 -9.063 6.397 1.00 0.74 C ATOM 289 OD1 ASN A 17 -2.756 -10.227 6.758 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.331 -8.042 7.003 1.00 0.71 N ATOM 0 H ASN A 17 -1.498 -9.638 4.888 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.558 -8.835 3.042 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.377 -7.853 5.377 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.494 -9.564 5.019 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -1.709 -8.211 7.794 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.495 -7.089 6.678 1.00 0.71 H new ATOM 297 N PHE A 18 -2.496 -6.585 2.540 1.00 0.28 N ATOM 298 CA PHE A 18 -2.175 -5.180 2.324 1.00 0.26 C ATOM 299 C PHE A 18 -3.195 -4.279 3.004 1.00 0.27 C ATOM 300 O PHE A 18 -2.838 -3.272 3.592 1.00 0.27 O ATOM 301 CB PHE A 18 -2.092 -4.851 0.838 1.00 0.24 C ATOM 302 CG PHE A 18 -0.960 -5.542 0.148 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.334 -5.195 0.467 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.176 -6.528 -0.807 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.400 -5.811 -0.140 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.105 -7.153 -1.427 1.00 0.25 C ATOM 307 CZ PHE A 18 1.184 -6.788 -1.087 1.00 0.25 C ATOM 0 H PHE A 18 -2.630 -7.130 1.689 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.197 -4.997 2.768 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.029 -5.132 0.357 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -1.981 -3.774 0.716 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.513 -4.427 1.205 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.185 -6.809 -1.068 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.408 -5.530 0.125 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.276 -7.919 -2.169 1.00 0.25 H new ATOM 0 HZ PHE A 18 2.024 -7.270 -1.565 1.00 0.25 H new ATOM 317 N VAL A 19 -4.461 -4.651 2.941 1.00 0.31 N ATOM 318 CA VAL A 19 -5.499 -3.922 3.642 1.00 0.32 C ATOM 319 C VAL A 19 -5.314 -4.000 5.155 1.00 0.29 C ATOM 320 O VAL A 19 -5.304 -2.974 5.829 1.00 0.27 O ATOM 321 CB VAL A 19 -6.896 -4.423 3.248 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.313 -3.805 1.928 1.00 1.34 C ATOM 323 CG2 VAL A 19 -6.926 -5.943 3.160 1.00 1.13 C ATOM 0 H VAL A 19 -4.794 -5.456 2.410 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.413 -2.877 3.344 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.603 -4.119 4.020 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.305 -4.165 1.655 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.335 -2.720 2.025 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.599 -4.085 1.153 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -7.927 -6.272 2.879 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.210 -6.278 2.409 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.663 -6.369 4.128 1.00 1.13 H new ATOM 333 N GLY A 20 -5.130 -5.208 5.682 1.00 0.33 N ATOM 334 CA GLY A 20 -4.877 -5.369 7.108 1.00 0.35 C ATOM 335 C GLY A 20 -3.552 -4.753 7.518 1.00 0.32 C ATOM 336 O GLY A 20 -3.265 -4.578 8.699 1.00 0.38 O ATOM 0 H GLY A 20 -5.151 -6.078 5.150 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.684 -4.906 7.675 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.878 -6.429 7.360 1.00 0.35 H new ATOM 340 N ARG A 21 -2.741 -4.440 6.524 1.00 0.29 N ATOM 341 CA ARG A 21 -1.469 -3.777 6.733 1.00 0.32 C ATOM 342 C ARG A 21 -1.638 -2.260 6.675 1.00 0.31 C ATOM 343 O ARG A 21 -1.063 -1.534 7.484 1.00 0.39 O ATOM 344 CB ARG A 21 -0.452 -4.265 5.678 1.00 0.33 C ATOM 345 CG ARG A 21 0.619 -3.242 5.317 1.00 0.56 C ATOM 346 CD ARG A 21 1.876 -3.393 6.162 1.00 0.52 C ATOM 347 NE ARG A 21 1.616 -4.050 7.447 1.00 1.51 N ATOM 348 CZ ARG A 21 2.428 -4.951 8.003 1.00 2.26 C ATOM 349 NH1 ARG A 21 3.581 -5.262 7.427 1.00 2.34 N ATOM 350 NH2 ARG A 21 2.085 -5.534 9.141 1.00 3.20 N ATOM 0 H ARG A 21 -2.948 -4.640 5.545 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.091 -4.029 7.724 1.00 0.32 H new ATOM 0 HB2 ARG A 21 0.034 -5.167 6.050 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -0.991 -4.544 4.773 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.878 -3.348 4.264 1.00 0.56 H new ATOM 0 HG3 ARG A 21 0.216 -2.238 5.447 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.616 -3.969 5.606 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.309 -2.409 6.342 1.00 0.52 H new ATOM 0 HE ARG A 21 0.762 -3.803 7.947 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.852 -4.812 6.553 1.00 2.34 H new ATOM 0 HH12 ARG A 21 4.197 -5.952 7.858 1.00 2.34 H new ATOM 0 HH21 ARG A 21 1.202 -5.294 9.591 1.00 3.20 H new ATOM 0 HH22 ARG A 21 2.704 -6.223 9.568 1.00 3.20 H new ATOM 364 N ILE A 22 -2.433 -1.789 5.720 1.00 0.27 N ATOM 365 CA ILE A 22 -2.568 -0.358 5.478 1.00 0.31 C ATOM 366 C ILE A 22 -3.696 0.282 6.293 1.00 0.28 C ATOM 367 O ILE A 22 -3.458 1.204 7.072 1.00 0.32 O ATOM 368 CB ILE A 22 -2.832 -0.100 3.972 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.627 -0.526 3.128 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.172 1.357 3.709 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.340 0.174 3.504 1.00 0.99 C ATOM 0 H ILE A 22 -2.993 -2.377 5.102 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.630 0.100 5.793 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.692 -0.704 3.682 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.487 -1.602 3.229 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.843 -0.330 2.078 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.351 1.502 2.644 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.068 1.628 4.268 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.342 1.987 4.027 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.467 -0.180 2.863 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.460 1.250 3.376 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.098 -0.043 4.545 1.00 0.99 H new ATOM 383 N LEU A 23 -4.918 -0.213 6.128 1.00 0.30 N ATOM 384 CA LEU A 23 -6.067 0.396 6.795 1.00 0.35 C ATOM 385 C LEU A 23 -6.573 -0.425 7.979 1.00 0.37 C ATOM 386 O LEU A 23 -7.348 0.079 8.791 1.00 0.47 O ATOM 387 CB LEU A 23 -7.214 0.760 5.814 1.00 0.59 C ATOM 388 CG LEU A 23 -7.733 -0.302 4.819 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.657 -0.731 3.835 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.326 -1.504 5.534 1.00 1.15 C ATOM 0 H LEU A 23 -5.139 -1.022 5.547 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.696 1.336 7.204 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -8.063 1.088 6.413 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -6.884 1.620 5.231 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.532 0.170 4.248 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.064 -1.478 3.154 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -6.320 0.134 3.265 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -5.815 -1.157 4.380 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.679 -2.227 4.799 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.564 -1.967 6.161 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.161 -1.182 6.156 1.00 1.15 H new ATOM 402 N GLY A 24 -6.116 -1.676 8.072 1.00 0.35 N ATOM 403 CA GLY A 24 -6.599 -2.603 9.095 1.00 0.45 C ATOM 404 C GLY A 24 -6.654 -2.002 10.488 1.00 0.56 C ATOM 405 O GLY A 24 -7.719 -1.580 10.941 1.00 0.70 O ATOM 0 H GLY A 24 -5.411 -2.070 7.449 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.595 -2.948 8.818 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.952 -3.480 9.113 1.00 0.45 H new ATOM 409 N PRO A 25 -5.525 -1.967 11.206 1.00 0.59 N ATOM 410 CA PRO A 25 -5.447 -1.323 12.510 1.00 0.74 C ATOM 411 C PRO A 25 -5.047 0.147 12.409 1.00 0.75 C ATOM 412 O PRO A 25 -5.214 0.915 13.357 1.00 0.90 O ATOM 413 CB PRO A 25 -4.358 -2.131 13.209 1.00 0.85 C ATOM 414 CG PRO A 25 -3.437 -2.567 12.112 1.00 0.77 C ATOM 415 CD PRO A 25 -4.245 -2.595 10.833 1.00 0.57 C ATOM 0 HA PRO A 25 -6.404 -1.314 13.032 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -3.833 -1.528 13.950 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -4.778 -2.988 13.736 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -2.596 -1.880 12.020 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -3.022 -3.552 12.327 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.748 -2.044 10.035 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -4.390 -3.614 10.475 1.00 0.57 H new ATOM 423 N ARG A 26 -4.517 0.535 11.256 1.00 0.64 N ATOM 424 CA ARG A 26 -3.948 1.863 11.087 1.00 0.71 C ATOM 425 C ARG A 26 -4.659 2.661 9.997 1.00 0.59 C ATOM 426 O ARG A 26 -4.052 3.520 9.358 1.00 0.63 O ATOM 427 CB ARG A 26 -2.454 1.744 10.775 1.00 0.88 C ATOM 428 CG ARG A 26 -1.665 1.133 11.918 1.00 1.34 C ATOM 429 CD ARG A 26 -0.202 0.936 11.564 1.00 1.33 C ATOM 430 NE ARG A 26 0.549 0.388 12.692 1.00 1.92 N ATOM 431 CZ ARG A 26 1.641 -0.369 12.575 1.00 2.49 C ATOM 432 NH1 ARG A 26 2.101 -0.705 11.376 1.00 2.67 N ATOM 433 NH2 ARG A 26 2.260 -0.808 13.665 1.00 3.43 N ATOM 0 H ARG A 26 -4.470 -0.053 10.424 1.00 0.64 H new ATOM 0 HA ARG A 26 -4.087 2.408 12.021 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -2.321 1.135 9.881 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -2.054 2.733 10.550 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -1.741 1.776 12.795 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -2.104 0.173 12.188 1.00 1.34 H new ATOM 0 HD2 ARG A 26 -0.120 0.265 10.709 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.233 1.889 11.264 1.00 1.33 H new ATOM 0 HE ARG A 26 0.215 0.599 13.633 1.00 1.92 H new ATOM 0 HH11 ARG A 26 1.619 -0.384 10.536 1.00 2.67 H new ATOM 0 HH12 ARG A 26 2.937 -1.284 11.294 1.00 2.67 H new ATOM 0 HH21 ARG A 26 1.900 -0.566 14.588 1.00 3.43 H new ATOM 0 HH22 ARG A 26 3.095 -1.387 13.579 1.00 3.43 H new ATOM 447 N GLY A 27 -5.958 2.407 9.817 1.00 0.54 N ATOM 448 CA GLY A 27 -6.751 3.170 8.859 1.00 0.56 C ATOM 449 C GLY A 27 -6.724 4.663 9.134 1.00 0.58 C ATOM 450 O GLY A 27 -7.076 5.471 8.269 1.00 0.56 O ATOM 0 H GLY A 27 -6.476 1.685 10.318 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.376 2.983 7.853 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.782 2.818 8.885 1.00 0.56 H new ATOM 454 N LEU A 28 -6.292 5.021 10.343 1.00 0.64 N ATOM 455 CA LEU A 28 -6.111 6.412 10.741 1.00 0.68 C ATOM 456 C LEU A 28 -5.315 7.182 9.696 1.00 0.58 C ATOM 457 O LEU A 28 -5.650 8.322 9.372 1.00 0.55 O ATOM 458 CB LEU A 28 -5.382 6.499 12.090 1.00 0.82 C ATOM 459 CG LEU A 28 -6.232 6.231 13.339 1.00 1.46 C ATOM 460 CD1 LEU A 28 -7.414 7.182 13.386 1.00 1.96 C ATOM 461 CD2 LEU A 28 -6.701 4.784 13.390 1.00 2.25 C ATOM 0 H LEU A 28 -6.058 4.350 11.075 1.00 0.64 H new ATOM 0 HA LEU A 28 -7.102 6.856 10.833 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.556 5.788 12.079 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.946 7.494 12.180 1.00 0.82 H new ATOM 0 HG LEU A 28 -5.609 6.406 14.216 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -8.008 6.980 14.277 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -7.053 8.210 13.416 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -8.031 7.040 12.499 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -7.300 4.627 14.287 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -7.303 4.565 12.508 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -5.836 4.122 13.412 1.00 2.25 H new ATOM 473 N THR A 29 -4.280 6.546 9.150 1.00 0.56 N ATOM 474 CA THR A 29 -3.407 7.209 8.195 1.00 0.52 C ATOM 475 C THR A 29 -4.181 7.623 6.947 1.00 0.42 C ATOM 476 O THR A 29 -4.017 8.738 6.470 1.00 0.41 O ATOM 477 CB THR A 29 -2.178 6.343 7.810 1.00 0.58 C ATOM 478 OG1 THR A 29 -1.285 7.098 6.978 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.583 5.067 7.086 1.00 0.48 C ATOM 0 H THR A 29 -4.030 5.578 9.354 1.00 0.56 H new ATOM 0 HA THR A 29 -3.027 8.104 8.688 1.00 0.52 H new ATOM 0 HB THR A 29 -1.678 6.061 8.737 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.512 6.544 6.741 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.691 4.492 6.836 1.00 0.48 H new ATOM 0 HG22 THR A 29 -3.229 4.472 7.731 1.00 0.48 H new ATOM 0 HG23 THR A 29 -3.119 5.322 6.172 1.00 0.48 H new ATOM 487 N ALA A 30 -5.059 6.755 6.458 1.00 0.39 N ATOM 488 CA ALA A 30 -5.825 7.048 5.253 1.00 0.34 C ATOM 489 C ALA A 30 -6.710 8.265 5.481 1.00 0.32 C ATOM 490 O ALA A 30 -6.810 9.153 4.632 1.00 0.28 O ATOM 491 CB ALA A 30 -6.660 5.843 4.847 1.00 0.38 C ATOM 0 H ALA A 30 -5.258 5.846 6.876 1.00 0.39 H new ATOM 0 HA ALA A 30 -5.133 7.269 4.441 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.225 6.079 3.946 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -6.004 4.995 4.652 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.350 5.590 5.652 1.00 0.38 H new ATOM 497 N LYS A 31 -7.308 8.313 6.664 1.00 0.38 N ATOM 498 CA LYS A 31 -8.165 9.417 7.053 1.00 0.41 C ATOM 499 C LYS A 31 -7.369 10.714 7.113 1.00 0.38 C ATOM 500 O LYS A 31 -7.835 11.770 6.686 1.00 0.39 O ATOM 501 CB LYS A 31 -8.775 9.135 8.423 1.00 0.49 C ATOM 502 CG LYS A 31 -9.821 10.153 8.855 1.00 1.16 C ATOM 503 CD LYS A 31 -11.018 10.152 7.918 1.00 1.63 C ATOM 504 CE LYS A 31 -12.059 11.184 8.326 1.00 2.36 C ATOM 505 NZ LYS A 31 -12.564 10.957 9.707 1.00 3.09 N ATOM 0 H LYS A 31 -7.211 7.589 7.376 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.957 9.521 6.311 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -9.230 8.145 8.410 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -7.978 9.110 9.166 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -10.151 9.929 9.869 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -9.375 11.148 8.877 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -10.683 10.357 6.901 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -11.472 9.161 7.911 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -11.625 12.182 8.259 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -12.894 11.152 7.626 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -13.395 11.559 9.876 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -12.831 9.958 9.819 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -11.819 11.195 10.393 1.00 3.09 H new ATOM 519 N GLN A 32 -6.156 10.621 7.641 1.00 0.38 N ATOM 520 CA GLN A 32 -5.306 11.790 7.802 1.00 0.40 C ATOM 521 C GLN A 32 -4.908 12.356 6.453 1.00 0.32 C ATOM 522 O GLN A 32 -4.840 13.569 6.277 1.00 0.33 O ATOM 523 CB GLN A 32 -4.047 11.451 8.608 1.00 0.47 C ATOM 524 CG GLN A 32 -4.336 10.962 10.014 1.00 0.55 C ATOM 525 CD GLN A 32 -5.271 11.881 10.767 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.837 12.817 11.442 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.562 11.632 10.640 1.00 0.64 N ATOM 0 H GLN A 32 -5.740 9.748 7.965 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.880 12.539 8.348 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.481 10.686 8.076 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.413 12.336 8.664 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.773 9.965 9.965 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.399 10.873 10.564 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.876 10.846 10.071 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.245 12.226 11.111 1.00 0.64 H new ATOM 536 N LEU A 33 -4.667 11.476 5.495 1.00 0.28 N ATOM 537 CA LEU A 33 -4.183 11.910 4.198 1.00 0.25 C ATOM 538 C LEU A 33 -5.254 12.704 3.478 1.00 0.21 C ATOM 539 O LEU A 33 -4.979 13.778 2.965 1.00 0.22 O ATOM 540 CB LEU A 33 -3.735 10.720 3.341 1.00 0.28 C ATOM 541 CG LEU A 33 -2.886 9.666 4.063 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.210 8.740 3.066 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.863 10.316 4.986 1.00 1.61 C ATOM 0 H LEU A 33 -4.797 10.469 5.590 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.315 12.549 4.360 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.622 10.232 2.937 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.166 11.100 2.493 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.554 9.067 4.682 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.614 8.001 3.602 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.968 8.231 2.470 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.563 9.322 2.410 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.278 9.542 5.483 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.200 10.954 4.402 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.379 10.917 5.735 1.00 1.61 H new ATOM 555 N GLU A 34 -6.486 12.229 3.496 1.00 0.21 N ATOM 556 CA GLU A 34 -7.540 12.938 2.796 1.00 0.25 C ATOM 557 C GLU A 34 -7.884 14.232 3.511 1.00 0.29 C ATOM 558 O GLU A 34 -8.117 15.264 2.877 1.00 0.33 O ATOM 559 CB GLU A 34 -8.790 12.078 2.624 1.00 0.31 C ATOM 560 CG GLU A 34 -9.177 11.274 3.855 1.00 0.38 C ATOM 561 CD GLU A 34 -10.520 10.587 3.708 1.00 0.54 C ATOM 562 OE1 GLU A 34 -10.585 9.536 3.035 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.514 11.084 4.270 1.00 0.87 O ATOM 0 H GLU A 34 -6.777 11.377 3.975 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.163 13.174 1.801 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.625 12.723 2.350 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.632 11.391 1.792 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.410 10.525 4.050 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.205 11.935 4.721 1.00 0.38 H new ATOM 570 N ALA A 35 -7.884 14.178 4.831 1.00 0.30 N ATOM 571 CA ALA A 35 -8.205 15.346 5.629 1.00 0.36 C ATOM 572 C ALA A 35 -7.151 16.443 5.463 1.00 0.35 C ATOM 573 O ALA A 35 -7.486 17.624 5.330 1.00 0.42 O ATOM 574 CB ALA A 35 -8.353 14.965 7.094 1.00 0.40 C ATOM 0 H ALA A 35 -7.666 13.340 5.371 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.156 15.742 5.273 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.594 15.853 7.678 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -9.153 14.233 7.200 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.418 14.536 7.455 1.00 0.40 H new ATOM 580 N GLU A 36 -5.881 16.050 5.455 1.00 0.30 N ATOM 581 CA GLU A 36 -4.788 17.016 5.420 1.00 0.34 C ATOM 582 C GLU A 36 -4.381 17.387 3.996 1.00 0.31 C ATOM 583 O GLU A 36 -4.311 18.567 3.661 1.00 0.41 O ATOM 584 CB GLU A 36 -3.562 16.480 6.162 1.00 0.38 C ATOM 585 CG GLU A 36 -3.816 16.140 7.622 1.00 0.74 C ATOM 586 CD GLU A 36 -4.397 17.296 8.404 1.00 1.25 C ATOM 587 OE1 GLU A 36 -3.733 18.349 8.489 1.00 1.69 O ATOM 588 OE2 GLU A 36 -5.526 17.162 8.922 1.00 1.73 O ATOM 0 H GLU A 36 -5.584 15.074 5.472 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.160 17.913 5.914 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.203 15.587 5.650 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.765 17.221 6.107 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.497 15.291 7.679 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.880 15.829 8.085 1.00 0.74 H new ATOM 595 N THR A 37 -4.125 16.386 3.157 1.00 0.24 N ATOM 596 CA THR A 37 -3.482 16.632 1.868 1.00 0.26 C ATOM 597 C THR A 37 -4.443 17.224 0.840 1.00 0.28 C ATOM 598 O THR A 37 -4.018 17.874 -0.113 1.00 0.35 O ATOM 599 CB THR A 37 -2.856 15.352 1.275 1.00 0.28 C ATOM 600 OG1 THR A 37 -3.879 14.462 0.829 1.00 0.25 O ATOM 601 CG2 THR A 37 -1.987 14.639 2.298 1.00 0.29 C ATOM 0 H THR A 37 -4.349 15.408 3.343 1.00 0.24 H new ATOM 0 HA THR A 37 -2.694 17.356 2.076 1.00 0.26 H new ATOM 0 HB THR A 37 -2.233 15.650 0.432 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.611 14.452 1.480 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.560 13.741 1.850 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.183 15.302 2.618 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.593 14.361 3.160 1.00 0.29 H new ATOM 609 N GLY A 38 -5.734 16.999 1.036 1.00 0.28 N ATOM 610 CA GLY A 38 -6.716 17.422 0.057 1.00 0.35 C ATOM 611 C GLY A 38 -6.977 16.347 -0.967 1.00 0.35 C ATOM 612 O GLY A 38 -7.695 16.563 -1.944 1.00 0.44 O ATOM 0 H GLY A 38 -6.120 16.531 1.856 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -7.647 17.678 0.562 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -6.366 18.325 -0.443 1.00 0.35 H new ATOM 616 N CYS A 39 -6.375 15.187 -0.755 1.00 0.29 N ATOM 617 CA CYS A 39 -6.772 14.006 -1.485 1.00 0.26 C ATOM 618 C CYS A 39 -7.921 13.372 -0.759 1.00 0.35 C ATOM 619 O CYS A 39 -8.348 13.849 0.284 1.00 0.73 O ATOM 620 CB CYS A 39 -5.635 12.978 -1.621 1.00 0.37 C ATOM 621 SG CYS A 39 -5.211 12.116 -0.091 1.00 1.29 S ATOM 0 H CYS A 39 -5.617 15.044 -0.088 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.049 14.312 -2.494 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.918 12.240 -2.371 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.746 13.487 -1.994 1.00 0.37 H new ATOM 0 HG CYS A 39 -4.479 12.890 0.654 1.00 1.29 H new ATOM 627 N LYS A 40 -8.465 12.358 -1.353 1.00 0.28 N ATOM 628 CA LYS A 40 -9.264 11.419 -0.637 1.00 0.27 C ATOM 629 C LYS A 40 -8.722 10.063 -1.023 1.00 0.24 C ATOM 630 O LYS A 40 -9.099 9.505 -2.051 1.00 0.26 O ATOM 631 CB LYS A 40 -10.742 11.606 -1.014 1.00 0.35 C ATOM 632 CG LYS A 40 -11.747 10.894 -0.109 1.00 1.07 C ATOM 633 CD LYS A 40 -11.688 9.376 -0.236 1.00 1.36 C ATOM 634 CE LYS A 40 -12.816 8.703 0.534 1.00 1.62 C ATOM 635 NZ LYS A 40 -12.914 9.204 1.931 1.00 2.51 N ATOM 0 H LYS A 40 -8.367 12.159 -2.349 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.218 11.546 0.445 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.968 12.672 -1.010 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.886 11.253 -2.035 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.558 11.174 0.927 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -12.753 11.235 -0.353 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -11.748 9.096 -1.288 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -10.728 9.017 0.136 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.761 8.878 0.019 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -12.654 7.625 0.546 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.588 8.618 2.464 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -11.979 9.155 2.384 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -13.244 10.190 1.924 1.00 2.51 H new ATOM 649 N ILE A 41 -7.793 9.560 -0.231 1.00 0.22 N ATOM 650 CA ILE A 41 -7.145 8.315 -0.563 1.00 0.21 C ATOM 651 C ILE A 41 -8.028 7.154 -0.166 1.00 0.23 C ATOM 652 O ILE A 41 -8.317 6.925 1.007 1.00 0.29 O ATOM 653 CB ILE A 41 -5.742 8.189 0.079 1.00 0.21 C ATOM 654 CG1 ILE A 41 -5.135 6.813 -0.208 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.799 8.437 1.581 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.728 6.650 0.323 1.00 0.25 C ATOM 0 H ILE A 41 -7.476 9.993 0.637 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.994 8.299 -1.642 1.00 0.21 H new ATOM 0 HB ILE A 41 -5.104 8.952 -0.368 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.772 6.045 0.232 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -5.130 6.645 -1.285 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.799 8.342 2.004 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -6.179 9.441 1.770 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.461 7.706 2.046 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -3.362 5.652 0.083 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -3.077 7.395 -0.136 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.729 6.786 1.404 1.00 0.25 H new ATOM 668 N MET A 42 -8.482 6.440 -1.167 1.00 0.20 N ATOM 669 CA MET A 42 -9.363 5.336 -0.950 1.00 0.21 C ATOM 670 C MET A 42 -8.641 4.070 -1.316 1.00 0.20 C ATOM 671 O MET A 42 -7.998 3.988 -2.363 1.00 0.21 O ATOM 672 CB MET A 42 -10.642 5.484 -1.778 1.00 0.26 C ATOM 673 CG MET A 42 -10.401 5.567 -3.279 1.00 0.29 C ATOM 674 SD MET A 42 -11.935 5.627 -4.227 1.00 0.45 S ATOM 675 CE MET A 42 -12.607 7.194 -3.674 1.00 1.43 C ATOM 0 H MET A 42 -8.249 6.612 -2.145 1.00 0.20 H new ATOM 0 HA MET A 42 -9.656 5.306 0.099 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.296 4.637 -1.572 1.00 0.26 H new ATOM 0 HB3 MET A 42 -11.170 6.381 -1.455 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.807 6.454 -3.499 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.815 4.705 -3.597 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.380 7.523 -4.368 1.00 1.43 H new ATOM 0 HE2 MET A 42 -13.038 7.075 -2.680 1.00 1.43 H new ATOM 0 HE3 MET A 42 -11.812 7.938 -3.637 1.00 1.43 H new ATOM 685 N VAL A 43 -8.715 3.091 -0.454 1.00 0.22 N ATOM 686 CA VAL A 43 -8.146 1.818 -0.767 1.00 0.25 C ATOM 687 C VAL A 43 -9.123 1.082 -1.661 1.00 0.27 C ATOM 688 O VAL A 43 -10.324 1.094 -1.417 1.00 0.41 O ATOM 689 CB VAL A 43 -7.825 0.996 0.494 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.802 -0.068 0.161 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.314 1.898 1.610 1.00 0.79 C ATOM 0 H VAL A 43 -9.161 3.154 0.461 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.195 1.965 -1.278 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.739 0.515 0.843 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.576 -0.649 1.056 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.201 -0.728 -0.609 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.890 0.405 -0.204 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.093 1.296 2.492 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.407 2.406 1.281 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.075 2.638 1.857 1.00 0.79 H new ATOM 701 N ARG A 44 -8.618 0.493 -2.715 1.00 0.29 N ATOM 702 CA ARG A 44 -9.462 -0.145 -3.704 1.00 0.31 C ATOM 703 C ARG A 44 -9.017 -1.573 -3.896 1.00 0.38 C ATOM 704 O ARG A 44 -7.935 -1.945 -3.464 1.00 0.71 O ATOM 705 CB ARG A 44 -9.412 0.597 -5.044 1.00 0.33 C ATOM 706 CG ARG A 44 -10.060 1.975 -5.041 1.00 0.37 C ATOM 707 CD ARG A 44 -10.283 2.471 -6.452 1.00 0.50 C ATOM 708 NE ARG A 44 -11.288 3.527 -6.508 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.797 4.002 -7.643 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.388 3.516 -8.810 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.709 4.964 -7.609 1.00 1.10 N ATOM 0 H ARG A 44 -7.619 0.440 -2.915 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.490 -0.120 -3.344 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.370 0.703 -5.345 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.901 -0.016 -5.800 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -11.012 1.932 -4.512 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.426 2.678 -4.500 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.343 2.844 -6.858 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.596 1.639 -7.083 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.619 3.924 -5.629 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -10.684 2.779 -8.837 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -11.778 3.880 -9.679 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -13.020 5.340 -6.713 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.099 5.328 -8.478 1.00 1.10 H new ATOM 725 N GLY A 45 -9.830 -2.369 -4.555 1.00 0.26 N ATOM 726 CA GLY A 45 -9.495 -3.757 -4.703 1.00 0.29 C ATOM 727 C GLY A 45 -9.945 -4.576 -3.522 1.00 0.29 C ATOM 728 O GLY A 45 -10.752 -4.127 -2.699 1.00 0.33 O ATOM 0 H GLY A 45 -10.708 -2.082 -4.987 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.956 -4.146 -5.611 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.417 -3.859 -4.825 1.00 0.29 H new ATOM 732 N LYS A 46 -9.429 -5.781 -3.454 1.00 0.39 N ATOM 733 CA LYS A 46 -9.844 -6.754 -2.468 1.00 0.50 C ATOM 734 C LYS A 46 -9.488 -6.348 -1.042 1.00 0.50 C ATOM 735 O LYS A 46 -8.318 -6.276 -0.686 1.00 0.62 O ATOM 736 CB LYS A 46 -9.172 -8.085 -2.766 1.00 0.74 C ATOM 737 CG LYS A 46 -10.123 -9.252 -2.759 1.00 0.90 C ATOM 738 CD LYS A 46 -11.084 -9.181 -3.936 1.00 0.94 C ATOM 739 CE LYS A 46 -10.341 -9.031 -5.259 1.00 0.72 C ATOM 740 NZ LYS A 46 -11.277 -8.896 -6.407 1.00 1.45 N ATOM 0 H LYS A 46 -8.703 -6.117 -4.087 1.00 0.39 H new ATOM 0 HA LYS A 46 -10.930 -6.826 -2.533 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.686 -8.028 -3.740 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -8.388 -8.261 -2.029 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -9.560 -10.184 -2.801 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -10.686 -9.261 -1.826 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -11.696 -10.083 -3.962 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -11.763 -8.339 -3.802 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.692 -8.156 -5.214 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -9.698 -9.897 -5.415 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -10.738 -8.899 -7.296 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -11.946 -9.692 -6.405 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -11.803 -8.002 -6.323 1.00 1.45 H new ATOM 754 N GLY A 47 -10.499 -6.098 -0.223 1.00 0.57 N ATOM 755 CA GLY A 47 -10.257 -5.981 1.203 1.00 0.68 C ATOM 756 C GLY A 47 -10.639 -4.633 1.751 1.00 0.51 C ATOM 757 O GLY A 47 -10.718 -4.448 2.963 1.00 0.60 O ATOM 0 H GLY A 47 -11.469 -5.975 -0.513 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -10.820 -6.754 1.727 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -9.201 -6.164 1.404 1.00 0.68 H new ATOM 761 N SER A 48 -10.909 -3.703 0.856 1.00 0.54 N ATOM 762 CA SER A 48 -11.387 -2.385 1.235 1.00 0.72 C ATOM 763 C SER A 48 -12.794 -2.468 1.844 1.00 1.02 C ATOM 764 O SER A 48 -13.322 -1.479 2.346 1.00 1.43 O ATOM 765 CB SER A 48 -11.421 -1.494 -0.007 1.00 0.82 C ATOM 766 OG SER A 48 -12.090 -0.267 0.243 1.00 1.31 O ATOM 0 H SER A 48 -10.804 -3.837 -0.150 1.00 0.54 H new ATOM 0 HA SER A 48 -10.713 -1.966 1.983 1.00 0.72 H new ATOM 0 HB2 SER A 48 -10.402 -1.292 -0.337 1.00 0.82 H new ATOM 0 HB3 SER A 48 -11.921 -2.022 -0.819 1.00 0.82 H new ATOM 0 HG SER A 48 -12.676 -0.054 -0.513 1.00 1.31 H new ATOM 772 N MET A 49 -13.377 -3.666 1.819 1.00 1.18 N ATOM 773 CA MET A 49 -14.811 -3.826 1.979 1.00 1.58 C ATOM 774 C MET A 49 -15.254 -4.527 3.269 1.00 1.30 C ATOM 775 O MET A 49 -16.160 -4.048 3.944 1.00 1.70 O ATOM 776 CB MET A 49 -15.361 -4.560 0.746 1.00 2.49 C ATOM 777 CG MET A 49 -14.446 -5.643 0.168 1.00 3.25 C ATOM 778 SD MET A 49 -14.378 -7.141 1.172 1.00 4.35 S ATOM 779 CE MET A 49 -13.250 -8.168 0.236 1.00 5.15 C ATOM 0 H MET A 49 -12.870 -4.541 1.688 1.00 1.18 H new ATOM 0 HA MET A 49 -15.226 -2.822 2.066 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.315 -5.016 1.011 1.00 2.49 H new ATOM 0 HB3 MET A 49 -15.564 -3.825 -0.033 1.00 2.49 H new ATOM 0 HG2 MET A 49 -14.790 -5.902 -0.833 1.00 3.25 H new ATOM 0 HG3 MET A 49 -13.439 -5.239 0.064 1.00 3.25 H new ATOM 0 HE1 MET A 49 -12.685 -8.803 0.918 1.00 5.15 H new ATOM 0 HE2 MET A 49 -13.815 -8.792 -0.457 1.00 5.15 H new ATOM 0 HE3 MET A 49 -12.562 -7.535 -0.324 1.00 5.15 H new ATOM 789 N ARG A 50 -14.619 -5.636 3.621 1.00 0.89 N ATOM 790 CA ARG A 50 -15.190 -6.564 4.608 1.00 1.28 C ATOM 791 C ARG A 50 -14.980 -6.131 6.058 1.00 1.22 C ATOM 792 O ARG A 50 -14.965 -6.971 6.960 1.00 1.55 O ATOM 793 CB ARG A 50 -14.663 -7.992 4.401 1.00 1.65 C ATOM 794 CG ARG A 50 -13.194 -8.194 4.728 1.00 2.14 C ATOM 795 CD ARG A 50 -12.295 -7.603 3.663 1.00 2.26 C ATOM 796 NE ARG A 50 -10.935 -8.120 3.770 1.00 3.05 N ATOM 797 CZ ARG A 50 -10.011 -7.643 4.608 1.00 3.84 C ATOM 798 NH1 ARG A 50 -10.248 -6.552 5.331 1.00 4.04 N ATOM 799 NH2 ARG A 50 -8.840 -8.254 4.700 1.00 4.74 N ATOM 0 H ARG A 50 -13.714 -5.921 3.245 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.265 -6.545 4.431 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -15.252 -8.672 5.016 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -14.830 -8.276 3.362 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -12.969 -7.734 5.690 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -12.987 -9.259 4.828 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -12.697 -7.833 2.676 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -12.282 -6.517 3.757 1.00 2.26 H new ATOM 0 HE ARG A 50 -10.672 -8.898 3.164 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -11.143 -6.070 5.249 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -9.534 -6.197 5.968 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -8.650 -9.081 4.134 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -8.127 -7.898 5.337 1.00 4.74 H new ATOM 813 N ASP A 51 -14.822 -4.841 6.292 1.00 0.99 N ATOM 814 CA ASP A 51 -14.841 -4.327 7.653 1.00 1.15 C ATOM 815 C ASP A 51 -16.226 -4.576 8.227 1.00 1.27 C ATOM 816 O ASP A 51 -17.217 -4.392 7.520 1.00 1.24 O ATOM 817 CB ASP A 51 -14.502 -2.837 7.684 1.00 1.25 C ATOM 818 CG ASP A 51 -13.090 -2.577 8.170 1.00 1.85 C ATOM 819 OD1 ASP A 51 -12.137 -2.895 7.426 1.00 1.97 O ATOM 820 OD2 ASP A 51 -12.926 -2.061 9.292 1.00 2.67 O ATOM 0 H ASP A 51 -14.681 -4.136 5.569 1.00 0.99 H new ATOM 0 HA ASP A 51 -14.087 -4.837 8.252 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -14.622 -2.419 6.685 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -15.208 -2.320 8.333 1.00 1.25 H new ATOM 825 N LYS A 52 -16.296 -4.972 9.496 1.00 1.46 N ATOM 826 CA LYS A 52 -17.532 -5.512 10.074 1.00 1.63 C ATOM 827 C LYS A 52 -18.716 -4.579 9.856 1.00 1.60 C ATOM 828 O LYS A 52 -19.810 -5.010 9.476 1.00 1.65 O ATOM 829 CB LYS A 52 -17.357 -5.752 11.575 1.00 1.89 C ATOM 830 CG LYS A 52 -16.286 -6.768 11.923 1.00 2.13 C ATOM 831 CD LYS A 52 -16.176 -6.954 13.423 1.00 2.73 C ATOM 832 CE LYS A 52 -15.124 -7.987 13.777 1.00 3.39 C ATOM 833 NZ LYS A 52 -15.018 -8.182 15.245 1.00 4.02 N ATOM 0 H LYS A 52 -15.512 -4.930 10.147 1.00 1.46 H new ATOM 0 HA LYS A 52 -17.737 -6.454 9.566 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -17.113 -4.805 12.057 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -18.307 -6.086 11.991 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -16.519 -7.723 11.451 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -15.326 -6.441 11.523 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -15.926 -6.002 13.892 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -17.141 -7.263 13.825 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -15.371 -8.936 13.301 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -14.158 -7.673 13.381 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -14.289 -8.895 15.449 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -14.758 -7.282 15.697 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -15.933 -8.505 15.619 1.00 4.02 H new ATOM 847 N LYS A 53 -18.489 -3.299 10.065 1.00 1.58 N ATOM 848 CA LYS A 53 -19.547 -2.326 9.907 1.00 1.61 C ATOM 849 C LYS A 53 -19.981 -2.222 8.452 1.00 1.43 C ATOM 850 O LYS A 53 -21.171 -2.185 8.149 1.00 1.45 O ATOM 851 CB LYS A 53 -19.106 -0.960 10.419 1.00 1.70 C ATOM 852 CG LYS A 53 -17.841 -0.421 9.767 1.00 1.61 C ATOM 853 CD LYS A 53 -17.547 1.000 10.214 1.00 1.81 C ATOM 854 CE LYS A 53 -18.658 1.960 9.815 1.00 2.29 C ATOM 855 NZ LYS A 53 -18.382 3.348 10.268 1.00 2.51 N ATOM 0 H LYS A 53 -17.588 -2.911 10.343 1.00 1.58 H new ATOM 0 HA LYS A 53 -20.398 -2.664 10.498 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -19.915 -0.247 10.258 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -18.946 -1.023 11.495 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -16.998 -1.065 10.019 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -17.950 -0.447 8.683 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -17.420 1.021 11.296 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -16.606 1.331 9.776 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -18.775 1.949 8.731 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -19.602 1.620 10.242 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -19.163 3.970 9.976 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -18.295 3.364 11.304 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -17.495 3.683 9.841 1.00 2.51 H new ATOM 869 N LYS A 54 -19.012 -2.192 7.556 1.00 1.31 N ATOM 870 CA LYS A 54 -19.294 -2.019 6.147 1.00 1.17 C ATOM 871 C LYS A 54 -20.044 -3.211 5.597 1.00 1.19 C ATOM 872 O LYS A 54 -21.115 -3.061 5.043 1.00 1.21 O ATOM 873 CB LYS A 54 -18.005 -1.767 5.372 1.00 1.09 C ATOM 874 CG LYS A 54 -17.492 -0.348 5.560 1.00 1.22 C ATOM 875 CD LYS A 54 -16.026 -0.220 5.172 1.00 1.37 C ATOM 876 CE LYS A 54 -15.388 1.040 5.748 1.00 1.53 C ATOM 877 NZ LYS A 54 -15.995 2.290 5.219 1.00 2.16 N ATOM 0 H LYS A 54 -18.022 -2.286 7.782 1.00 1.31 H new ATOM 0 HA LYS A 54 -19.934 -1.145 6.027 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -17.242 -2.474 5.699 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -18.178 -1.952 4.312 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -18.088 0.337 4.957 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -17.620 -0.050 6.601 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -15.480 -1.096 5.524 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -15.939 -0.206 4.086 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -15.485 1.026 6.834 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -14.321 1.037 5.523 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -15.522 3.113 5.645 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -15.880 2.321 4.186 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -17.007 2.312 5.456 1.00 2.16 H new ATOM 891 N GLU A 55 -19.519 -4.397 5.804 1.00 1.26 N ATOM 892 CA GLU A 55 -20.145 -5.598 5.270 1.00 1.33 C ATOM 893 C GLU A 55 -21.574 -5.786 5.781 1.00 1.46 C ATOM 894 O GLU A 55 -22.385 -6.445 5.129 1.00 1.53 O ATOM 895 CB GLU A 55 -19.310 -6.822 5.628 1.00 1.44 C ATOM 896 CG GLU A 55 -18.945 -6.872 7.100 1.00 1.58 C ATOM 897 CD GLU A 55 -18.585 -8.265 7.567 1.00 1.79 C ATOM 898 OE1 GLU A 55 -19.482 -9.128 7.641 1.00 1.96 O ATOM 899 OE2 GLU A 55 -17.402 -8.508 7.878 1.00 2.05 O ATOM 0 H GLU A 55 -18.664 -4.562 6.335 1.00 1.26 H new ATOM 0 HA GLU A 55 -20.195 -5.481 4.187 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -19.863 -7.724 5.364 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -18.398 -6.821 5.032 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -18.104 -6.203 7.284 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -19.783 -6.501 7.690 1.00 1.58 H new ATOM 906 N GLU A 56 -21.886 -5.210 6.935 1.00 1.51 N ATOM 907 CA GLU A 56 -23.237 -5.316 7.470 1.00 1.64 C ATOM 908 C GLU A 56 -24.174 -4.287 6.842 1.00 1.57 C ATOM 909 O GLU A 56 -25.183 -4.638 6.239 1.00 1.62 O ATOM 910 CB GLU A 56 -23.228 -5.162 8.991 1.00 1.78 C ATOM 911 CG GLU A 56 -22.774 -6.413 9.726 1.00 1.87 C ATOM 912 CD GLU A 56 -23.708 -7.588 9.498 1.00 2.05 C ATOM 913 OE1 GLU A 56 -24.808 -7.608 10.085 1.00 2.33 O ATOM 914 OE2 GLU A 56 -23.346 -8.499 8.722 1.00 2.40 O ATOM 0 H GLU A 56 -21.235 -4.674 7.509 1.00 1.51 H new ATOM 0 HA GLU A 56 -23.611 -6.308 7.217 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -22.572 -4.334 9.260 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -24.230 -4.897 9.327 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -21.770 -6.681 9.396 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -22.713 -6.202 10.794 1.00 1.87 H new ATOM 921 N GLN A 57 -23.826 -3.021 6.970 1.00 1.48 N ATOM 922 CA GLN A 57 -24.733 -1.936 6.576 1.00 1.47 C ATOM 923 C GLN A 57 -24.263 -1.257 5.293 1.00 1.36 C ATOM 924 O GLN A 57 -25.057 -0.958 4.402 1.00 1.40 O ATOM 925 CB GLN A 57 -24.832 -0.914 7.707 1.00 1.55 C ATOM 926 CG GLN A 57 -23.489 -0.309 8.033 1.00 1.59 C ATOM 927 CD GLN A 57 -23.298 0.014 9.489 1.00 1.75 C ATOM 928 OE1 GLN A 57 -24.212 0.459 10.182 1.00 2.37 O ATOM 929 NE2 GLN A 57 -22.112 -0.298 9.966 1.00 1.85 N ATOM 0 H GLN A 57 -22.928 -2.709 7.341 1.00 1.48 H new ATOM 0 HA GLN A 57 -25.717 -2.364 6.384 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -25.528 -0.124 7.424 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -25.240 -1.394 8.596 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -22.706 -0.999 7.719 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -23.362 0.603 7.450 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -21.392 -0.664 9.343 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -21.913 -0.174 10.959 1.00 1.85 H new ATOM 938 N ASN A 58 -22.957 -1.034 5.214 1.00 1.27 N ATOM 939 CA ASN A 58 -22.332 -0.346 4.104 1.00 1.21 C ATOM 940 C ASN A 58 -22.011 -1.338 2.995 1.00 1.16 C ATOM 941 O ASN A 58 -21.179 -1.082 2.123 1.00 1.13 O ATOM 942 CB ASN A 58 -21.062 0.334 4.604 1.00 1.21 C ATOM 943 CG ASN A 58 -21.335 1.399 5.655 1.00 1.55 C ATOM 944 OD1 ASN A 58 -20.524 1.612 6.557 1.00 2.20 O ATOM 945 ND2 ASN A 58 -22.467 2.082 5.546 1.00 1.95 N ATOM 0 H ASN A 58 -22.297 -1.333 5.932 1.00 1.27 H new ATOM 0 HA ASN A 58 -23.009 0.407 3.699 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -20.393 -0.419 5.022 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -20.543 0.788 3.760 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -22.690 2.812 6.223 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -23.115 1.877 4.785 1.00 1.95 H new ATOM 952 N ARG A 59 -22.648 -2.495 3.072 1.00 1.20 N ATOM 953 CA ARG A 59 -22.487 -3.528 2.070 1.00 1.22 C ATOM 954 C ARG A 59 -22.963 -3.043 0.707 1.00 1.19 C ATOM 955 O ARG A 59 -23.907 -2.255 0.600 1.00 1.24 O ATOM 956 CB ARG A 59 -23.223 -4.806 2.483 1.00 1.36 C ATOM 957 CG ARG A 59 -24.725 -4.652 2.658 1.00 1.47 C ATOM 958 CD ARG A 59 -25.334 -5.936 3.197 1.00 1.69 C ATOM 959 NE ARG A 59 -26.793 -5.881 3.289 1.00 2.08 N ATOM 960 CZ ARG A 59 -27.487 -6.347 4.325 1.00 2.67 C ATOM 961 NH1 ARG A 59 -26.852 -6.810 5.399 1.00 2.95 N ATOM 962 NH2 ARG A 59 -28.814 -6.330 4.298 1.00 3.45 N ATOM 0 H ARG A 59 -23.287 -2.741 3.828 1.00 1.20 H new ATOM 0 HA ARG A 59 -21.425 -3.760 1.992 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -23.036 -5.574 1.732 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -22.798 -5.166 3.420 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -24.935 -3.829 3.341 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -25.184 -4.398 1.702 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -25.047 -6.767 2.552 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -24.921 -6.141 4.184 1.00 1.69 H new ATOM 0 HE ARG A 59 -27.308 -5.462 2.515 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -25.832 -6.808 5.429 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -27.385 -7.167 6.192 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -29.303 -5.960 3.483 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -29.345 -6.687 5.092 1.00 3.45 H new ATOM 976 N GLY A 60 -22.265 -3.485 -0.323 1.00 1.15 N ATOM 977 CA GLY A 60 -22.597 -3.095 -1.689 1.00 1.15 C ATOM 978 C GLY A 60 -22.102 -1.698 -2.048 1.00 1.07 C ATOM 979 O GLY A 60 -22.257 -1.246 -3.181 1.00 1.09 O ATOM 0 H GLY A 60 -21.465 -4.113 -0.244 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.165 -3.817 -2.382 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -23.678 -3.136 -1.820 1.00 1.15 H new ATOM 983 N LYS A 61 -21.501 -1.023 -1.083 1.00 1.00 N ATOM 984 CA LYS A 61 -20.991 0.338 -1.266 1.00 0.95 C ATOM 985 C LYS A 61 -19.559 0.308 -1.811 1.00 0.80 C ATOM 986 O LYS A 61 -18.977 -0.762 -1.881 1.00 0.77 O ATOM 987 CB LYS A 61 -21.077 1.111 0.052 1.00 1.04 C ATOM 988 CG LYS A 61 -22.493 1.175 0.607 1.00 1.55 C ATOM 989 CD LYS A 61 -23.442 1.867 -0.357 1.00 2.06 C ATOM 990 CE LYS A 61 -24.892 1.578 -0.008 1.00 2.55 C ATOM 991 NZ LYS A 61 -25.255 0.161 -0.282 1.00 3.16 N ATOM 0 H LYS A 61 -21.349 -1.398 -0.147 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.609 0.855 -2.001 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -20.424 0.640 0.787 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.706 2.124 -0.101 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.851 0.165 0.809 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -22.488 1.707 1.558 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -23.268 2.943 -0.333 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -23.237 1.534 -1.374 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -25.063 1.800 1.045 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.542 2.237 -0.583 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -26.285 0.043 -0.194 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -24.958 -0.093 -1.246 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -24.776 -0.459 0.402 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.007 1.477 -2.246 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.687 1.641 -2.898 1.00 0.66 C ATOM 1007 C PRO A 62 -16.613 0.581 -2.635 1.00 0.58 C ATOM 1008 O PRO A 62 -15.840 0.259 -3.529 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.254 2.947 -2.260 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.494 3.776 -2.292 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.655 2.804 -2.183 1.00 0.85 C ATOM 0 HA PRO A 62 -17.787 1.580 -3.982 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -16.897 2.797 -1.241 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.443 3.416 -2.816 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.506 4.491 -1.469 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.554 4.352 -3.215 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.203 2.938 -1.251 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.369 2.940 -2.995 1.00 0.85 H new ATOM 1019 N ASN A 63 -16.572 0.022 -1.451 1.00 0.64 N ATOM 1020 CA ASN A 63 -15.571 -0.987 -1.117 1.00 0.63 C ATOM 1021 C ASN A 63 -15.834 -2.253 -1.904 1.00 0.56 C ATOM 1022 O ASN A 63 -14.915 -2.962 -2.298 1.00 0.51 O ATOM 1023 CB ASN A 63 -15.607 -1.292 0.367 1.00 0.79 C ATOM 1024 CG ASN A 63 -16.332 -0.235 1.167 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -15.735 0.736 1.626 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -17.628 -0.420 1.328 1.00 1.06 N ATOM 0 H ASN A 63 -17.218 0.243 -0.693 1.00 0.64 H new ATOM 0 HA ASN A 63 -14.585 -0.600 -1.374 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.092 -2.255 0.523 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -14.587 -1.385 0.738 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -18.179 0.259 1.853 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -18.079 -1.242 0.928 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.106 -2.507 -2.126 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.572 -3.625 -2.919 1.00 0.62 C ATOM 1035 C TRP A 64 -17.682 -3.179 -4.365 1.00 0.60 C ATOM 1036 O TRP A 64 -17.749 -3.992 -5.281 1.00 0.66 O ATOM 1037 CB TRP A 64 -18.922 -4.091 -2.382 1.00 0.78 C ATOM 1038 CG TRP A 64 -18.930 -4.145 -0.882 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -19.284 -3.146 -0.023 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.514 -5.240 -0.069 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -19.125 -3.559 1.277 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -18.648 -4.845 1.276 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.041 -6.520 -0.350 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -18.319 -5.692 2.334 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.718 -7.354 0.698 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -17.855 -6.938 2.026 1.00 1.18 C ATOM 0 H TRP A 64 -17.860 -1.931 -1.753 1.00 0.61 H new ATOM 0 HA TRP A 64 -16.874 -4.460 -2.860 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.705 -3.415 -2.727 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.153 -5.078 -2.784 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -19.638 -2.171 -0.322 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -19.328 -3.001 2.107 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.929 -6.853 -1.371 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -18.428 -5.373 3.360 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.352 -8.348 0.490 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -17.588 -7.616 2.823 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.697 -1.861 -4.547 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.671 -1.254 -5.868 1.00 0.55 C ATOM 1059 C GLU A 65 -16.318 -1.492 -6.532 1.00 0.48 C ATOM 1060 O GLU A 65 -16.234 -1.979 -7.653 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.953 0.243 -5.762 1.00 0.59 C ATOM 1062 CG GLU A 65 -17.507 1.044 -6.973 1.00 0.69 C ATOM 1063 CD GLU A 65 -17.783 2.525 -6.816 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -16.959 3.223 -6.184 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -18.826 2.996 -7.307 1.00 1.59 O ATOM 0 H GLU A 65 -17.727 -1.187 -3.782 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.445 -1.714 -6.482 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -19.023 0.391 -5.616 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.453 0.634 -4.876 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.440 0.891 -7.134 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -18.020 0.673 -7.860 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.258 -1.144 -5.818 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.899 -1.357 -6.306 1.00 0.38 C ATOM 1074 C HIS A 66 -13.356 -2.700 -5.837 1.00 0.36 C ATOM 1075 O HIS A 66 -12.208 -3.039 -6.099 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.951 -0.217 -5.908 1.00 0.38 C ATOM 1077 CG HIS A 66 -13.004 0.187 -4.471 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.272 1.478 -4.062 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.766 -0.519 -3.349 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.186 1.545 -2.749 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.881 0.347 -2.286 1.00 0.47 N ATOM 0 H HIS A 66 -15.311 -0.711 -4.896 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.951 -1.365 -7.395 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.930 -0.516 -6.147 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -13.180 0.654 -6.522 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.501 2.257 -4.679 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.529 -1.571 -3.294 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.339 2.432 -2.152 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.185 -3.449 -5.119 1.00 0.38 N ATOM 1091 CA LEU A 67 -13.861 -4.827 -4.742 1.00 0.40 C ATOM 1092 C LEU A 67 -13.595 -5.662 -5.981 1.00 0.41 C ATOM 1093 O LEU A 67 -12.929 -6.699 -5.937 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.024 -5.447 -3.963 1.00 0.48 C ATOM 1095 CG LEU A 67 -14.964 -6.964 -3.772 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -13.770 -7.345 -2.919 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -16.251 -7.476 -3.149 1.00 1.59 C ATOM 0 H LEU A 67 -15.092 -3.126 -4.783 1.00 0.38 H new ATOM 0 HA LEU A 67 -12.969 -4.811 -4.116 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.070 -4.978 -2.980 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.953 -5.201 -4.477 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.850 -7.429 -4.751 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -13.743 -8.427 -2.794 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -12.854 -7.013 -3.407 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -13.854 -6.869 -1.942 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -16.189 -8.557 -3.021 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -16.398 -7.004 -2.178 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -17.091 -7.236 -3.800 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.086 -5.170 -7.093 1.00 0.43 N ATOM 1110 CA ASN A 68 -14.026 -5.898 -8.343 1.00 0.47 C ATOM 1111 C ASN A 68 -12.701 -5.614 -9.045 1.00 0.44 C ATOM 1112 O ASN A 68 -12.475 -6.031 -10.180 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.230 -5.507 -9.212 1.00 0.57 C ATOM 1114 CG ASN A 68 -16.538 -5.620 -8.437 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -17.178 -6.670 -8.419 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -16.944 -4.531 -7.793 1.00 0.58 N ATOM 0 H ASN A 68 -14.537 -4.258 -7.160 1.00 0.43 H new ATOM 0 HA ASN A 68 -14.074 -6.971 -8.158 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -15.105 -4.485 -9.570 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.270 -6.150 -10.091 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -17.814 -4.548 -7.260 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.386 -3.678 -7.831 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.826 -4.908 -8.338 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.474 -4.631 -8.806 1.00 0.37 C ATOM 1125 C GLU A 69 -9.465 -5.460 -8.013 1.00 0.32 C ATOM 1126 O GLU A 69 -9.822 -6.128 -7.038 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.135 -3.152 -8.605 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.100 -2.179 -9.266 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.709 -0.732 -9.024 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.700 -0.298 -7.854 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -10.422 -0.017 -10.003 1.00 1.39 O ATOM 0 H GLU A 69 -12.035 -4.511 -7.422 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.424 -4.886 -9.865 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.106 -2.943 -7.536 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.133 -2.968 -8.993 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.130 -2.371 -10.338 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.106 -2.351 -8.883 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.206 -5.406 -8.430 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.112 -5.970 -7.647 1.00 0.30 C ATOM 1140 C ASP A 70 -6.720 -4.971 -6.578 1.00 0.22 C ATOM 1141 O ASP A 70 -6.783 -3.763 -6.811 1.00 0.24 O ATOM 1142 CB ASP A 70 -5.900 -6.295 -8.518 1.00 0.41 C ATOM 1143 CG ASP A 70 -4.910 -7.235 -7.844 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -5.152 -7.611 -6.672 1.00 1.10 O ATOM 1145 OD2 ASP A 70 -3.882 -7.579 -8.465 1.00 1.21 O ATOM 0 H ASP A 70 -7.916 -4.976 -9.308 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.451 -6.904 -7.198 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.241 -6.745 -9.450 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.390 -5.368 -8.780 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.355 -5.468 -5.412 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.083 -4.617 -4.263 1.00 0.17 C ATOM 1152 C LEU A 71 -5.042 -3.547 -4.592 1.00 0.17 C ATOM 1153 O LEU A 71 -3.940 -3.845 -5.024 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.603 -5.463 -3.083 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.379 -4.687 -1.792 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.598 -3.841 -1.492 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.094 -5.639 -0.642 1.00 0.79 C ATOM 0 H LEU A 71 -6.238 -6.465 -5.232 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.012 -4.114 -3.995 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.335 -6.249 -2.896 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.671 -5.955 -3.362 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.514 -4.035 -1.913 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.437 -3.286 -0.568 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.766 -3.142 -2.311 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.470 -4.486 -1.381 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -4.936 -5.068 0.273 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -5.941 -6.312 -0.508 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.200 -6.221 -0.865 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.425 -2.296 -4.457 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.485 -1.204 -4.608 1.00 0.17 C ATOM 1171 C HIS A 72 -4.889 -0.026 -3.735 1.00 0.17 C ATOM 1172 O HIS A 72 -6.037 0.075 -3.313 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.366 -0.781 -6.073 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.649 -0.326 -6.711 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.565 -1.199 -7.251 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -6.142 0.915 -6.933 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.559 -0.520 -7.783 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.331 0.766 -7.607 1.00 0.29 N ATOM 0 H HIS A 72 -6.380 -2.009 -4.243 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.505 -1.552 -4.281 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.637 0.026 -6.144 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.970 -1.619 -6.646 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.486 -2.216 -7.241 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.686 1.848 -6.636 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.418 -0.946 -8.281 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.963 0.878 -3.493 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.280 2.102 -2.773 1.00 0.19 C ATOM 1189 C VAL A 73 -4.372 3.241 -3.770 1.00 0.20 C ATOM 1190 O VAL A 73 -3.618 3.279 -4.744 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.248 2.435 -1.671 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.280 1.381 -0.576 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.848 2.564 -2.249 1.00 0.29 C ATOM 0 H VAL A 73 -2.988 0.793 -3.781 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.233 1.957 -2.265 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.519 3.397 -1.236 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.547 1.631 0.191 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.275 1.348 -0.131 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -3.041 0.407 -1.002 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -1.145 2.798 -1.450 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.561 1.624 -2.721 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.833 3.362 -2.991 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.313 4.135 -3.571 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.568 5.165 -4.555 1.00 0.18 C ATOM 1205 C LEU A 74 -5.729 6.515 -3.905 1.00 0.18 C ATOM 1206 O LEU A 74 -6.687 6.757 -3.175 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.826 4.802 -5.349 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.015 5.515 -6.691 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -8.110 4.839 -7.487 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.370 6.973 -6.496 1.00 0.80 C ATOM 0 H LEU A 74 -5.910 4.172 -2.745 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.713 5.225 -5.229 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.816 3.727 -5.532 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.695 5.011 -4.726 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.071 5.457 -7.233 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.237 5.353 -8.440 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.839 3.799 -7.669 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -9.044 4.877 -6.926 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -7.497 7.450 -7.468 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.299 7.049 -5.930 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -6.570 7.472 -5.949 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.793 7.394 -4.177 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.953 8.773 -3.798 1.00 0.18 C ATOM 1224 C ILE A 75 -5.760 9.488 -4.863 1.00 0.18 C ATOM 1225 O ILE A 75 -5.292 9.716 -5.981 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.603 9.489 -3.599 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.552 8.907 -4.538 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.157 9.408 -2.150 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.336 9.784 -4.693 1.00 0.30 C ATOM 0 H ILE A 75 -3.919 7.178 -4.656 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.473 8.798 -2.840 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.728 10.544 -3.845 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.242 7.931 -4.164 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.001 8.745 -5.518 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.202 9.920 -2.034 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.903 9.883 -1.513 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -3.045 8.363 -1.862 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.630 9.309 -5.374 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.634 10.752 -5.096 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.863 9.926 -3.721 1.00 0.30 H new ATOM 1241 N THR A 76 -6.983 9.813 -4.511 1.00 0.17 N ATOM 1242 CA THR A 76 -7.871 10.524 -5.403 1.00 0.20 C ATOM 1243 C THR A 76 -7.926 11.987 -5.018 1.00 0.19 C ATOM 1244 O THR A 76 -8.493 12.347 -3.992 1.00 0.22 O ATOM 1245 CB THR A 76 -9.291 9.948 -5.322 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.296 8.758 -4.523 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.811 9.621 -6.699 1.00 0.31 C ATOM 0 H THR A 76 -7.389 9.593 -3.602 1.00 0.17 H new ATOM 0 HA THR A 76 -7.489 10.415 -6.418 1.00 0.20 H new ATOM 0 HB THR A 76 -9.936 10.699 -4.865 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.462 8.994 -3.586 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.819 9.214 -6.620 1.00 0.31 H new ATOM 0 HG22 THR A 76 -9.832 10.527 -7.305 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.158 8.885 -7.169 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.332 12.829 -5.833 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.346 14.243 -5.579 1.00 0.25 C ATOM 1257 C VAL A 77 -8.075 14.961 -6.697 1.00 0.33 C ATOM 1258 O VAL A 77 -7.794 14.751 -7.877 1.00 0.44 O ATOM 1259 CB VAL A 77 -5.909 14.801 -5.450 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.048 14.400 -6.639 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -5.919 16.314 -5.305 1.00 0.86 C ATOM 0 H VAL A 77 -6.833 12.553 -6.679 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.865 14.413 -4.636 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.476 14.366 -4.549 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.045 14.809 -6.516 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -4.992 13.313 -6.698 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.489 14.791 -7.556 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -4.895 16.678 -5.216 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.388 16.760 -6.182 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.481 16.590 -4.413 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.044 15.771 -6.328 1.00 0.37 N ATOM 1272 CA GLU A 78 -9.659 16.645 -7.291 1.00 0.50 C ATOM 1273 C GLU A 78 -8.707 17.804 -7.490 1.00 0.63 C ATOM 1274 O GLU A 78 -8.699 18.769 -6.723 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.029 17.101 -6.803 1.00 0.63 C ATOM 1276 CG GLU A 78 -11.980 15.939 -6.559 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.355 16.394 -6.131 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -13.527 16.729 -4.942 1.00 1.63 O ATOM 1279 OE2 GLU A 78 -14.272 16.424 -6.979 1.00 1.55 O ATOM 0 H GLU A 78 -9.416 15.839 -5.381 1.00 0.37 H new ATOM 0 HA GLU A 78 -9.834 16.139 -8.240 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -10.911 17.669 -5.880 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.467 17.775 -7.539 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.065 15.346 -7.470 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.562 15.287 -5.792 1.00 0.62 H new ATOM 1286 N ASP A 79 -7.870 17.657 -8.504 1.00 0.66 N ATOM 1287 CA ASP A 79 -6.653 18.440 -8.624 1.00 0.84 C ATOM 1288 C ASP A 79 -6.926 19.924 -8.753 1.00 0.75 C ATOM 1289 O ASP A 79 -7.651 20.375 -9.639 1.00 1.08 O ATOM 1290 CB ASP A 79 -5.833 17.949 -9.818 1.00 1.20 C ATOM 1291 CG ASP A 79 -6.607 18.003 -11.122 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -7.530 17.187 -11.311 1.00 2.05 O ATOM 1293 OD2 ASP A 79 -6.287 18.861 -11.975 1.00 1.81 O ATOM 0 H ASP A 79 -8.015 16.993 -9.265 1.00 0.66 H new ATOM 0 HA ASP A 79 -6.086 18.299 -7.704 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -4.932 18.556 -9.909 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -5.509 16.924 -9.635 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.345 20.672 -7.836 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.334 22.113 -7.919 1.00 1.17 C ATOM 1300 C ALA A 80 -4.995 22.573 -8.466 1.00 1.09 C ATOM 1301 O ALA A 80 -4.923 23.465 -9.313 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.594 22.723 -6.550 1.00 1.85 C ATOM 0 H ALA A 80 -5.869 20.296 -7.016 1.00 0.91 H new ATOM 0 HA ALA A 80 -7.126 22.444 -8.591 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -6.583 23.810 -6.628 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.567 22.395 -6.185 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -5.818 22.401 -5.855 1.00 1.85 H new ATOM 1308 N GLN A 81 -3.929 21.935 -7.992 1.00 1.04 N ATOM 1309 CA GLN A 81 -2.582 22.337 -8.354 1.00 1.65 C ATOM 1310 C GLN A 81 -1.565 21.296 -7.878 1.00 0.98 C ATOM 1311 O GLN A 81 -1.920 20.329 -7.179 1.00 0.75 O ATOM 1312 CB GLN A 81 -2.287 23.715 -7.743 1.00 2.75 C ATOM 1313 CG GLN A 81 -1.079 24.423 -8.328 1.00 3.72 C ATOM 1314 CD GLN A 81 -1.005 25.869 -7.895 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -0.434 26.186 -6.855 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -1.583 26.752 -8.694 1.00 5.39 N ATOM 0 H GLN A 81 -3.976 21.138 -7.357 1.00 1.04 H new ATOM 0 HA GLN A 81 -2.501 22.405 -9.439 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -3.163 24.351 -7.875 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.137 23.597 -6.670 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -0.171 23.905 -8.019 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -1.121 24.372 -9.416 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -2.046 26.441 -9.548 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -1.566 27.744 -8.456 1.00 5.39 H new ATOM 1325 N ASN A 82 -0.305 21.497 -8.262 1.00 0.84 N ATOM 1326 CA ASN A 82 0.783 20.599 -7.881 1.00 0.71 C ATOM 1327 C ASN A 82 0.850 20.440 -6.371 1.00 0.59 C ATOM 1328 O ASN A 82 1.096 19.348 -5.876 1.00 0.56 O ATOM 1329 CB ASN A 82 2.139 21.112 -8.384 1.00 1.13 C ATOM 1330 CG ASN A 82 2.211 21.272 -9.891 1.00 1.74 C ATOM 1331 OD1 ASN A 82 1.241 21.669 -10.539 1.00 2.48 O ATOM 1332 ND2 ASN A 82 3.361 20.946 -10.464 1.00 2.28 N ATOM 0 H ASN A 82 -0.011 22.282 -8.843 1.00 0.84 H new ATOM 0 HA ASN A 82 0.574 19.635 -8.344 1.00 0.71 H new ATOM 0 HB2 ASN A 82 2.350 22.073 -7.915 1.00 1.13 H new ATOM 0 HB3 ASN A 82 2.920 20.422 -8.063 1.00 1.13 H new ATOM 0 HD21 ASN A 82 3.466 21.020 -11.476 1.00 2.28 H new ATOM 0 HD22 ASN A 82 4.141 20.621 -9.893 1.00 2.28 H new ATOM 1339 N ARG A 83 0.609 21.530 -5.644 1.00 0.65 N ATOM 1340 CA ARG A 83 0.655 21.500 -4.185 1.00 0.63 C ATOM 1341 C ARG A 83 -0.296 20.446 -3.629 1.00 0.46 C ATOM 1342 O ARG A 83 0.005 19.801 -2.623 1.00 0.43 O ATOM 1343 CB ARG A 83 0.322 22.870 -3.583 1.00 0.81 C ATOM 1344 CG ARG A 83 1.475 23.863 -3.616 1.00 1.66 C ATOM 1345 CD ARG A 83 1.722 24.410 -5.012 1.00 2.10 C ATOM 1346 NE ARG A 83 2.983 25.146 -5.095 1.00 2.64 N ATOM 1347 CZ ARG A 83 3.147 26.283 -5.773 1.00 3.34 C ATOM 1348 NH1 ARG A 83 2.119 26.863 -6.375 1.00 3.68 N ATOM 1349 NH2 ARG A 83 4.344 26.851 -5.837 1.00 4.17 N ATOM 0 H ARG A 83 0.381 22.441 -6.041 1.00 0.65 H new ATOM 0 HA ARG A 83 1.675 21.239 -3.902 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -0.524 23.295 -4.122 1.00 0.81 H new ATOM 0 HB3 ARG A 83 0.005 22.733 -2.549 1.00 0.81 H new ATOM 0 HG2 ARG A 83 1.261 24.688 -2.937 1.00 1.66 H new ATOM 0 HG3 ARG A 83 2.381 23.378 -3.252 1.00 1.66 H new ATOM 0 HD2 ARG A 83 1.734 23.587 -5.727 1.00 2.10 H new ATOM 0 HD3 ARG A 83 0.899 25.067 -5.295 1.00 2.10 H new ATOM 0 HE ARG A 83 3.790 24.765 -4.602 1.00 2.64 H new ATOM 0 HH11 ARG A 83 1.192 26.440 -6.322 1.00 3.68 H new ATOM 0 HH12 ARG A 83 2.254 27.732 -6.891 1.00 3.68 H new ATOM 0 HH21 ARG A 83 5.140 26.418 -5.368 1.00 4.17 H new ATOM 0 HH22 ARG A 83 4.469 27.720 -6.356 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.433 20.260 -4.299 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.387 19.246 -3.888 1.00 0.38 C ATOM 1365 C ALA A 84 -1.776 17.873 -4.051 1.00 0.29 C ATOM 1366 O ALA A 84 -1.528 17.180 -3.065 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.688 19.338 -4.685 1.00 0.49 C ATOM 0 H ALA A 84 -1.709 20.796 -5.121 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.629 19.418 -2.839 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.376 18.563 -4.348 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.141 20.317 -4.531 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.476 19.199 -5.745 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.484 17.504 -5.299 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.997 16.154 -5.583 1.00 0.26 C ATOM 1375 C GLU A 85 0.312 15.876 -4.850 1.00 0.28 C ATOM 1376 O GLU A 85 0.566 14.752 -4.426 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.815 15.922 -7.085 1.00 0.34 C ATOM 1378 CG GLU A 85 0.255 16.798 -7.720 1.00 0.49 C ATOM 1379 CD GLU A 85 0.589 16.385 -9.138 1.00 0.79 C ATOM 1380 OE1 GLU A 85 1.411 15.463 -9.321 1.00 1.31 O ATOM 1381 OE2 GLU A 85 0.020 16.976 -10.082 1.00 1.24 O ATOM 0 H GLU A 85 -1.574 18.108 -6.116 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.756 15.460 -5.222 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.560 14.876 -7.253 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.765 16.103 -7.588 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.083 17.834 -7.719 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.159 16.757 -7.112 1.00 0.49 H new ATOM 1388 N LEU A 86 1.123 16.912 -4.685 1.00 0.30 N ATOM 1389 CA LEU A 86 2.409 16.794 -4.012 1.00 0.36 C ATOM 1390 C LEU A 86 2.226 16.354 -2.564 1.00 0.28 C ATOM 1391 O LEU A 86 2.973 15.519 -2.051 1.00 0.28 O ATOM 1392 CB LEU A 86 3.133 18.140 -4.048 1.00 0.47 C ATOM 1393 CG LEU A 86 4.622 18.101 -3.702 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.374 17.188 -4.656 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.206 19.503 -3.738 1.00 1.47 C ATOM 0 H LEU A 86 0.909 17.854 -5.012 1.00 0.30 H new ATOM 0 HA LEU A 86 3.002 16.041 -4.531 1.00 0.36 H new ATOM 0 HB2 LEU A 86 3.022 18.565 -5.045 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.635 18.818 -3.355 1.00 0.47 H new ATOM 0 HG LEU A 86 4.731 17.702 -2.694 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.431 17.176 -4.391 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.971 16.178 -4.586 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.260 17.555 -5.676 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.267 19.462 -3.490 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.083 19.923 -4.736 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.688 20.132 -3.014 1.00 1.47 H new ATOM 1407 N LYS A 87 1.218 16.913 -1.919 1.00 0.24 N ATOM 1408 CA LYS A 87 0.968 16.638 -0.517 1.00 0.22 C ATOM 1409 C LYS A 87 0.467 15.205 -0.329 1.00 0.18 C ATOM 1410 O LYS A 87 0.928 14.485 0.559 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.045 17.647 0.025 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.092 17.723 1.538 1.00 0.29 C ATOM 1413 CD LYS A 87 -1.003 18.846 2.001 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.988 18.995 3.512 1.00 1.40 C ATOM 1415 NZ LYS A 87 0.357 19.372 4.021 1.00 1.74 N ATOM 0 H LYS A 87 0.557 17.562 -2.346 1.00 0.24 H new ATOM 0 HA LYS A 87 1.899 16.737 0.040 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.194 18.634 -0.371 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.036 17.386 -0.346 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.445 16.774 1.942 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.913 17.882 1.929 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.689 19.783 1.540 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -2.021 18.651 1.665 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.713 19.752 3.809 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.300 18.057 3.972 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 0.278 19.693 5.007 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 0.989 18.548 3.975 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 0.746 20.140 3.438 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.468 14.791 -1.171 1.00 0.19 N ATOM 1430 CA LEU A 88 -1.016 13.442 -1.095 1.00 0.21 C ATOM 1431 C LEU A 88 -0.018 12.391 -1.558 1.00 0.21 C ATOM 1432 O LEU A 88 0.017 11.291 -1.013 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.319 13.333 -1.879 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.359 14.066 -3.210 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -2.487 13.081 -4.354 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.515 15.045 -3.216 1.00 1.33 C ATOM 0 H LEU A 88 -0.863 15.367 -1.914 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.230 13.245 -0.044 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.523 12.278 -2.062 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -3.128 13.711 -1.254 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.428 14.617 -3.342 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -2.514 13.623 -5.299 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -1.633 12.404 -4.348 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -3.406 12.507 -4.238 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.542 15.570 -4.171 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.450 14.504 -3.072 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.385 15.766 -2.409 1.00 1.33 H new ATOM 1448 N LYS A 89 0.800 12.722 -2.546 1.00 0.26 N ATOM 1449 CA LYS A 89 1.760 11.758 -3.066 1.00 0.31 C ATOM 1450 C LYS A 89 2.826 11.439 -2.019 1.00 0.29 C ATOM 1451 O LYS A 89 3.292 10.309 -1.935 1.00 0.30 O ATOM 1452 CB LYS A 89 2.382 12.230 -4.396 1.00 0.41 C ATOM 1453 CG LYS A 89 3.329 13.418 -4.300 1.00 0.47 C ATOM 1454 CD LYS A 89 4.763 13.004 -3.985 1.00 0.90 C ATOM 1455 CE LYS A 89 5.546 12.602 -5.234 1.00 1.05 C ATOM 1456 NZ LYS A 89 4.976 11.413 -5.931 1.00 2.07 N ATOM 0 H LYS A 89 0.820 13.636 -2.998 1.00 0.26 H new ATOM 0 HA LYS A 89 1.223 10.835 -3.285 1.00 0.31 H new ATOM 0 HB2 LYS A 89 2.922 11.394 -4.840 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.575 12.487 -5.082 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.312 13.968 -5.241 1.00 0.47 H new ATOM 0 HG3 LYS A 89 2.974 14.099 -3.527 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.275 13.829 -3.490 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.751 12.169 -3.284 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.569 13.444 -5.926 1.00 1.05 H new ATOM 0 HE3 LYS A 89 6.578 12.390 -4.955 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 5.632 11.099 -6.675 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 4.836 10.643 -5.246 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 4.063 11.666 -6.359 1.00 2.07 H new ATOM 1470 N ARG A 90 3.207 12.428 -1.215 1.00 0.27 N ATOM 1471 CA ARG A 90 4.181 12.189 -0.155 1.00 0.30 C ATOM 1472 C ARG A 90 3.551 11.332 0.946 1.00 0.25 C ATOM 1473 O ARG A 90 4.191 10.437 1.498 1.00 0.28 O ATOM 1474 CB ARG A 90 4.749 13.518 0.398 1.00 0.36 C ATOM 1475 CG ARG A 90 3.811 14.317 1.302 1.00 0.35 C ATOM 1476 CD ARG A 90 3.925 13.882 2.757 1.00 0.75 C ATOM 1477 NE ARG A 90 2.931 14.523 3.621 1.00 1.44 N ATOM 1478 CZ ARG A 90 2.860 14.324 4.939 1.00 1.98 C ATOM 1479 NH1 ARG A 90 3.765 13.562 5.544 1.00 2.10 N ATOM 1480 NH2 ARG A 90 1.899 14.898 5.654 1.00 2.93 N ATOM 0 H ARG A 90 2.863 13.386 -1.275 1.00 0.27 H new ATOM 0 HA ARG A 90 5.026 11.640 -0.571 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.660 13.298 0.955 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.035 14.148 -0.445 1.00 0.36 H new ATOM 0 HG2 ARG A 90 4.044 15.379 1.220 1.00 0.35 H new ATOM 0 HG3 ARG A 90 2.783 14.189 0.963 1.00 0.35 H new ATOM 0 HD2 ARG A 90 3.809 12.800 2.818 1.00 0.75 H new ATOM 0 HD3 ARG A 90 4.924 14.117 3.124 1.00 0.75 H new ATOM 0 HE ARG A 90 2.256 15.156 3.192 1.00 1.44 H new ATOM 0 HH11 ARG A 90 4.513 13.130 5.001 1.00 2.10 H new ATOM 0 HH12 ARG A 90 3.712 13.409 6.551 1.00 2.10 H new ATOM 0 HH21 ARG A 90 1.210 15.495 5.196 1.00 2.93 H new ATOM 0 HH22 ARG A 90 1.850 14.742 6.661 1.00 2.93 H new ATOM 1494 N ALA A 91 2.280 11.587 1.236 1.00 0.22 N ATOM 1495 CA ALA A 91 1.560 10.822 2.245 1.00 0.23 C ATOM 1496 C ALA A 91 1.328 9.389 1.775 1.00 0.21 C ATOM 1497 O ALA A 91 1.480 8.425 2.530 1.00 0.24 O ATOM 1498 CB ALA A 91 0.239 11.495 2.559 1.00 0.26 C ATOM 0 H ALA A 91 1.728 12.317 0.786 1.00 0.22 H new ATOM 0 HA ALA A 91 2.165 10.788 3.151 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.293 10.917 3.314 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.424 12.501 2.936 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.365 11.552 1.653 1.00 0.26 H new ATOM 1504 N VAL A 92 0.961 9.258 0.515 1.00 0.18 N ATOM 1505 CA VAL A 92 0.746 7.960 -0.083 1.00 0.19 C ATOM 1506 C VAL A 92 2.074 7.211 -0.217 1.00 0.22 C ATOM 1507 O VAL A 92 2.107 5.984 -0.239 1.00 0.24 O ATOM 1508 CB VAL A 92 0.026 8.081 -1.442 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.010 8.287 -2.584 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.856 6.866 -1.677 1.00 0.26 C ATOM 0 H VAL A 92 0.805 10.043 -0.117 1.00 0.18 H new ATOM 0 HA VAL A 92 0.095 7.383 0.574 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.609 8.966 -1.413 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.465 8.368 -3.524 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.578 9.202 -2.414 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.694 7.439 -2.633 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.359 6.962 -2.639 1.00 0.26 H new ATOM 0 HG22 VAL A 92 -0.242 5.965 -1.677 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.600 6.798 -0.884 1.00 0.26 H new ATOM 1520 N GLU A 93 3.166 7.965 -0.318 1.00 0.25 N ATOM 1521 CA GLU A 93 4.504 7.385 -0.323 1.00 0.31 C ATOM 1522 C GLU A 93 4.805 6.711 1.010 1.00 0.31 C ATOM 1523 O GLU A 93 5.522 5.707 1.063 1.00 0.33 O ATOM 1524 CB GLU A 93 5.542 8.461 -0.622 1.00 0.39 C ATOM 1525 CG GLU A 93 6.055 8.431 -2.048 1.00 0.71 C ATOM 1526 CD GLU A 93 7.325 7.617 -2.183 1.00 1.14 C ATOM 1527 OE1 GLU A 93 8.397 8.114 -1.780 1.00 1.61 O ATOM 1528 OE2 GLU A 93 7.264 6.484 -2.698 1.00 1.63 O ATOM 0 H GLU A 93 3.149 8.982 -0.398 1.00 0.25 H new ATOM 0 HA GLU A 93 4.549 6.627 -1.105 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.106 9.440 -0.422 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.384 8.342 0.060 1.00 0.39 H new ATOM 0 HG2 GLU A 93 5.287 8.014 -2.700 1.00 0.71 H new ATOM 0 HG3 GLU A 93 6.241 9.450 -2.387 1.00 0.71 H new ATOM 1535 N GLU A 94 4.254 7.262 2.086 1.00 0.31 N ATOM 1536 CA GLU A 94 4.328 6.610 3.386 1.00 0.34 C ATOM 1537 C GLU A 94 3.641 5.251 3.288 1.00 0.29 C ATOM 1538 O GLU A 94 4.160 4.236 3.761 1.00 0.29 O ATOM 1539 CB GLU A 94 3.653 7.462 4.465 1.00 0.42 C ATOM 1540 CG GLU A 94 4.082 8.922 4.458 1.00 0.90 C ATOM 1541 CD GLU A 94 5.558 9.109 4.732 1.00 1.40 C ATOM 1542 OE1 GLU A 94 5.947 9.144 5.918 1.00 1.62 O ATOM 1543 OE2 GLU A 94 6.337 9.203 3.760 1.00 2.09 O ATOM 0 H GLU A 94 3.755 8.152 2.084 1.00 0.31 H new ATOM 0 HA GLU A 94 5.374 6.484 3.666 1.00 0.34 H new ATOM 0 HB2 GLU A 94 2.572 7.411 4.331 1.00 0.42 H new ATOM 0 HB3 GLU A 94 3.874 7.034 5.443 1.00 0.42 H new ATOM 0 HG2 GLU A 94 3.840 9.361 3.490 1.00 0.90 H new ATOM 0 HG3 GLU A 94 3.508 9.467 5.207 1.00 0.90 H new ATOM 1550 N VAL A 95 2.483 5.235 2.626 1.00 0.28 N ATOM 1551 CA VAL A 95 1.792 3.980 2.344 1.00 0.26 C ATOM 1552 C VAL A 95 2.658 3.077 1.483 1.00 0.25 C ATOM 1553 O VAL A 95 2.693 1.877 1.692 1.00 0.26 O ATOM 1554 CB VAL A 95 0.436 4.194 1.637 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.068 2.882 1.035 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.584 4.777 2.604 1.00 0.62 C ATOM 0 H VAL A 95 2.009 6.069 2.279 1.00 0.28 H new ATOM 0 HA VAL A 95 1.600 3.512 3.309 1.00 0.26 H new ATOM 0 HB VAL A 95 0.577 4.907 0.824 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.025 3.052 0.541 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.656 2.514 0.308 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.195 2.143 1.827 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.533 4.921 2.088 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.725 4.092 3.440 1.00 0.62 H new ATOM 0 HG23 VAL A 95 -0.225 5.736 2.977 1.00 0.62 H new ATOM 1566 N LYS A 96 3.365 3.659 0.530 1.00 0.26 N ATOM 1567 CA LYS A 96 4.234 2.893 -0.352 1.00 0.30 C ATOM 1568 C LYS A 96 5.290 2.103 0.422 1.00 0.33 C ATOM 1569 O LYS A 96 5.733 1.048 -0.026 1.00 0.39 O ATOM 1570 CB LYS A 96 4.873 3.793 -1.403 1.00 0.36 C ATOM 1571 CG LYS A 96 3.914 4.134 -2.533 1.00 0.88 C ATOM 1572 CD LYS A 96 4.577 4.957 -3.625 1.00 1.20 C ATOM 1573 CE LYS A 96 5.798 4.260 -4.210 1.00 1.69 C ATOM 1574 NZ LYS A 96 5.490 2.907 -4.744 1.00 2.00 N ATOM 0 H LYS A 96 3.355 4.662 0.345 1.00 0.26 H new ATOM 0 HA LYS A 96 3.609 2.163 -0.866 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.215 4.713 -0.930 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.754 3.299 -1.814 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.521 3.213 -2.963 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.064 4.686 -2.131 1.00 0.88 H new ATOM 0 HD2 LYS A 96 3.856 5.151 -4.419 1.00 1.20 H new ATOM 0 HD3 LYS A 96 4.873 5.925 -3.219 1.00 1.20 H new ATOM 0 HE2 LYS A 96 6.213 4.875 -5.009 1.00 1.69 H new ATOM 0 HE3 LYS A 96 6.566 4.176 -3.441 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 6.336 2.515 -5.204 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.200 2.284 -3.964 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 4.718 2.975 -5.438 1.00 2.00 H new ATOM 1588 N LYS A 97 5.703 2.612 1.575 1.00 0.33 N ATOM 1589 CA LYS A 97 6.623 1.875 2.430 1.00 0.39 C ATOM 1590 C LYS A 97 5.874 0.775 3.186 1.00 0.35 C ATOM 1591 O LYS A 97 6.431 -0.283 3.486 1.00 0.45 O ATOM 1592 CB LYS A 97 7.305 2.819 3.424 1.00 0.49 C ATOM 1593 CG LYS A 97 8.388 2.164 4.281 1.00 1.09 C ATOM 1594 CD LYS A 97 9.660 1.866 3.488 1.00 1.89 C ATOM 1595 CE LYS A 97 9.587 0.555 2.711 1.00 2.76 C ATOM 1596 NZ LYS A 97 9.466 -0.626 3.608 1.00 3.43 N ATOM 0 H LYS A 97 5.419 3.522 1.937 1.00 0.33 H new ATOM 0 HA LYS A 97 7.387 1.418 1.801 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.748 3.648 2.872 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.546 3.243 4.082 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.630 2.819 5.118 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.001 1.237 4.704 1.00 1.09 H new ATOM 0 HD2 LYS A 97 9.847 2.684 2.792 1.00 1.89 H new ATOM 0 HD3 LYS A 97 10.508 1.829 4.172 1.00 1.89 H new ATOM 0 HE2 LYS A 97 8.733 0.583 2.034 1.00 2.76 H new ATOM 0 HE3 LYS A 97 10.480 0.450 2.094 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 9.896 -1.455 3.150 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 9.956 -0.433 4.505 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 8.461 -0.817 3.797 1.00 3.43 H new ATOM 1610 N LEU A 98 4.610 1.043 3.492 1.00 0.30 N ATOM 1611 CA LEU A 98 3.769 0.098 4.226 1.00 0.33 C ATOM 1612 C LEU A 98 3.217 -1.005 3.318 1.00 0.27 C ATOM 1613 O LEU A 98 3.157 -2.160 3.723 1.00 0.35 O ATOM 1614 CB LEU A 98 2.611 0.835 4.913 1.00 0.45 C ATOM 1615 CG LEU A 98 2.909 1.422 6.301 1.00 0.83 C ATOM 1616 CD1 LEU A 98 4.095 2.372 6.267 1.00 1.70 C ATOM 1617 CD2 LEU A 98 1.678 2.134 6.837 1.00 1.29 C ATOM 0 H LEU A 98 4.140 1.913 3.242 1.00 0.30 H new ATOM 0 HA LEU A 98 4.398 -0.375 4.980 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.286 1.646 4.261 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.773 0.145 5.006 1.00 0.45 H new ATOM 0 HG LEU A 98 3.168 0.598 6.965 1.00 0.83 H new ATOM 0 HD11 LEU A 98 4.274 2.766 7.267 1.00 1.70 H new ATOM 0 HD12 LEU A 98 4.980 1.837 5.924 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.882 3.195 5.585 1.00 1.70 H new ATOM 0 HD21 LEU A 98 1.897 2.548 7.821 1.00 1.29 H new ATOM 0 HD22 LEU A 98 1.400 2.940 6.158 1.00 1.29 H new ATOM 0 HD23 LEU A 98 0.853 1.425 6.916 1.00 1.29 H new ATOM 1629 N LEU A 99 2.836 -0.653 2.092 1.00 0.21 N ATOM 1630 CA LEU A 99 2.243 -1.617 1.164 1.00 0.22 C ATOM 1631 C LEU A 99 3.279 -2.610 0.627 1.00 0.25 C ATOM 1632 O LEU A 99 3.003 -3.372 -0.297 1.00 0.43 O ATOM 1633 CB LEU A 99 1.511 -0.910 0.008 1.00 0.36 C ATOM 1634 CG LEU A 99 2.293 0.150 -0.779 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.428 -0.459 -1.585 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.357 0.924 -1.695 1.00 1.30 C ATOM 0 H LEU A 99 2.927 0.291 1.717 1.00 0.21 H new ATOM 0 HA LEU A 99 1.507 -2.187 1.731 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.176 -1.673 -0.695 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.617 -0.437 0.415 1.00 0.36 H new ATOM 0 HG LEU A 99 2.736 0.832 -0.053 1.00 0.38 H new ATOM 0 HD11 LEU A 99 3.954 0.328 -2.126 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.122 -0.963 -0.913 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.024 -1.180 -2.296 1.00 1.29 H new ATOM 0 HD21 LEU A 99 1.925 1.673 -2.247 1.00 1.30 H new ATOM 0 HD22 LEU A 99 0.884 0.237 -2.397 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.590 1.418 -1.098 1.00 1.30 H new ATOM 1648 N VAL A 100 4.475 -2.579 1.188 1.00 0.32 N ATOM 1649 CA VAL A 100 5.487 -3.561 0.855 1.00 0.36 C ATOM 1650 C VAL A 100 5.164 -4.880 1.553 1.00 0.37 C ATOM 1651 O VAL A 100 4.999 -4.918 2.770 1.00 0.45 O ATOM 1652 CB VAL A 100 6.898 -3.081 1.262 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.947 -4.144 0.972 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.246 -1.786 0.547 1.00 1.29 C ATOM 0 H VAL A 100 4.767 -1.884 1.875 1.00 0.32 H new ATOM 0 HA VAL A 100 5.483 -3.703 -0.226 1.00 0.36 H new ATOM 0 HB VAL A 100 6.892 -2.898 2.337 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.929 -3.777 1.269 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.713 -5.049 1.533 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.951 -4.369 -0.094 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.243 -1.462 0.845 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.224 -1.948 -0.531 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.520 -1.017 0.813 1.00 1.29 H new ATOM 1664 N PRO A 101 5.066 -5.974 0.778 1.00 0.39 N ATOM 1665 CA PRO A 101 4.699 -7.315 1.284 1.00 0.49 C ATOM 1666 C PRO A 101 5.787 -7.971 2.132 1.00 0.65 C ATOM 1667 O PRO A 101 5.856 -9.195 2.236 1.00 0.88 O ATOM 1668 CB PRO A 101 4.500 -8.109 0.001 1.00 0.64 C ATOM 1669 CG PRO A 101 5.406 -7.450 -0.972 1.00 0.60 C ATOM 1670 CD PRO A 101 5.292 -5.992 -0.676 1.00 0.45 C ATOM 0 HA PRO A 101 3.832 -7.268 1.943 1.00 0.49 H new ATOM 0 HB2 PRO A 101 4.757 -9.159 0.138 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.463 -8.075 -0.333 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.432 -7.798 -0.855 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.111 -7.669 -1.998 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.197 -5.451 -0.952 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.467 -5.532 -1.220 1.00 0.45 H new ATOM 1735 N ASP A 107 14.941 -7.253 2.766 1.00 9.76 N ATOM 1736 CA ASP A 107 16.243 -7.611 2.214 1.00 10.43 C ATOM 1737 C ASP A 107 17.032 -6.372 1.821 1.00 10.48 C ATOM 1738 O ASP A 107 18.259 -6.407 1.745 1.00 11.15 O ATOM 1739 CB ASP A 107 16.088 -8.552 1.013 1.00 10.67 C ATOM 1740 CG ASP A 107 15.164 -8.000 -0.056 1.00 11.41 C ATOM 1741 OD1 ASP A 107 13.943 -8.255 0.014 1.00 11.57 O ATOM 1742 OD2 ASP A 107 15.659 -7.308 -0.972 1.00 11.98 O ATOM 0 HA ASP A 107 16.799 -8.135 2.991 1.00 10.43 H new ATOM 0 HB2 ASP A 107 17.069 -8.740 0.576 1.00 10.67 H new ATOM 0 HB3 ASP A 107 15.704 -9.512 1.358 1.00 10.67 H new ATOM 1747 N SER A 108 16.327 -5.275 1.609 1.00 9.96 N ATOM 1748 CA SER A 108 16.963 -4.005 1.302 1.00 10.24 C ATOM 1749 C SER A 108 17.816 -3.550 2.477 1.00 10.41 C ATOM 1750 O SER A 108 18.843 -2.910 2.299 1.00 11.07 O ATOM 1751 CB SER A 108 15.894 -2.960 0.979 1.00 9.88 C ATOM 1752 OG SER A 108 16.468 -1.783 0.436 1.00 10.00 O ATOM 0 H SER A 108 15.308 -5.238 1.644 1.00 9.96 H new ATOM 0 HA SER A 108 17.611 -4.127 0.434 1.00 10.24 H new ATOM 0 HB2 SER A 108 15.178 -3.377 0.271 1.00 9.88 H new ATOM 0 HB3 SER A 108 15.340 -2.712 1.884 1.00 9.88 H new ATOM 0 HG SER A 108 17.116 -1.412 1.071 1.00 10.00 H new ATOM 1758 N LEU A 109 17.399 -3.927 3.673 1.00 10.02 N ATOM 1759 CA LEU A 109 18.095 -3.540 4.891 1.00 10.41 C ATOM 1760 C LEU A 109 19.481 -4.173 4.939 1.00 11.26 C ATOM 1761 O LEU A 109 20.443 -3.557 5.395 1.00 11.94 O ATOM 1762 CB LEU A 109 17.274 -3.969 6.108 1.00 10.12 C ATOM 1763 CG LEU A 109 15.866 -3.369 6.176 1.00 9.48 C ATOM 1764 CD1 LEU A 109 14.986 -4.168 7.125 1.00 9.47 C ATOM 1765 CD2 LEU A 109 15.931 -1.911 6.610 1.00 9.65 C ATOM 0 H LEU A 109 16.574 -4.506 3.829 1.00 10.02 H new ATOM 0 HA LEU A 109 18.214 -2.457 4.902 1.00 10.41 H new ATOM 0 HB2 LEU A 109 17.191 -5.056 6.108 1.00 10.12 H new ATOM 0 HB3 LEU A 109 17.817 -3.691 7.011 1.00 10.12 H new ATOM 0 HG LEU A 109 15.425 -3.416 5.180 1.00 9.48 H new ATOM 0 HD11 LEU A 109 13.991 -3.725 7.158 1.00 9.47 H new ATOM 0 HD12 LEU A 109 14.913 -5.197 6.774 1.00 9.47 H new ATOM 0 HD13 LEU A 109 15.423 -4.155 8.124 1.00 9.47 H new ATOM 0 HD21 LEU A 109 14.923 -1.499 6.653 1.00 9.65 H new ATOM 0 HD22 LEU A 109 16.393 -1.845 7.595 1.00 9.65 H new ATOM 0 HD23 LEU A 109 16.524 -1.344 5.892 1.00 9.65 H new ATOM 1777 N LYS A 110 19.574 -5.402 4.448 1.00 11.40 N ATOM 1778 CA LYS A 110 20.834 -6.132 4.441 1.00 12.34 C ATOM 1779 C LYS A 110 21.648 -5.788 3.199 1.00 12.93 C ATOM 1780 O LYS A 110 22.840 -5.496 3.284 1.00 13.70 O ATOM 1781 CB LYS A 110 20.582 -7.641 4.488 1.00 12.53 C ATOM 1782 CG LYS A 110 19.693 -8.080 5.639 1.00 12.99 C ATOM 1783 CD LYS A 110 19.516 -9.589 5.654 1.00 13.18 C ATOM 1784 CE LYS A 110 18.571 -10.033 6.760 1.00 13.26 C ATOM 1785 NZ LYS A 110 19.025 -9.577 8.101 1.00 13.83 N ATOM 0 H LYS A 110 18.789 -5.915 4.048 1.00 11.40 H new ATOM 0 HA LYS A 110 21.397 -5.838 5.326 1.00 12.34 H new ATOM 0 HB2 LYS A 110 20.125 -7.953 3.549 1.00 12.53 H new ATOM 0 HB3 LYS A 110 21.539 -8.157 4.563 1.00 12.53 H new ATOM 0 HG2 LYS A 110 20.129 -7.753 6.583 1.00 12.99 H new ATOM 0 HG3 LYS A 110 18.719 -7.598 5.554 1.00 12.99 H new ATOM 0 HD2 LYS A 110 19.129 -9.920 4.690 1.00 13.18 H new ATOM 0 HD3 LYS A 110 20.486 -10.068 5.790 1.00 13.18 H new ATOM 0 HE2 LYS A 110 17.573 -9.641 6.563 1.00 13.26 H new ATOM 0 HE3 LYS A 110 18.493 -11.120 6.755 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 18.464 -10.052 8.837 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 20.030 -9.812 8.226 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 18.898 -8.548 8.179 1.00 13.83 H new ATOM 1799 N LYS A 111 20.983 -5.808 2.047 1.00 12.70 N ATOM 1800 CA LYS A 111 21.647 -5.589 0.768 1.00 13.45 C ATOM 1801 C LYS A 111 22.251 -4.190 0.703 1.00 13.69 C ATOM 1802 O LYS A 111 23.334 -3.994 0.147 1.00 14.58 O ATOM 1803 CB LYS A 111 20.654 -5.783 -0.379 1.00 13.35 C ATOM 1804 CG LYS A 111 21.314 -6.050 -1.720 1.00 13.65 C ATOM 1805 CD LYS A 111 21.981 -7.416 -1.745 1.00 14.12 C ATOM 1806 CE LYS A 111 22.514 -7.755 -3.124 1.00 14.42 C ATOM 1807 NZ LYS A 111 23.077 -9.129 -3.175 1.00 14.52 N ATOM 0 H LYS A 111 19.979 -5.975 1.975 1.00 12.70 H new ATOM 0 HA LYS A 111 22.453 -6.317 0.671 1.00 13.45 H new ATOM 0 HB2 LYS A 111 19.992 -6.615 -0.138 1.00 13.35 H new ATOM 0 HB3 LYS A 111 20.030 -4.893 -0.462 1.00 13.35 H new ATOM 0 HG2 LYS A 111 20.568 -5.993 -2.513 1.00 13.65 H new ATOM 0 HG3 LYS A 111 22.055 -5.277 -1.923 1.00 13.65 H new ATOM 0 HD2 LYS A 111 22.798 -7.435 -1.024 1.00 14.12 H new ATOM 0 HD3 LYS A 111 21.265 -8.177 -1.435 1.00 14.12 H new ATOM 0 HE2 LYS A 111 21.712 -7.663 -3.856 1.00 14.42 H new ATOM 0 HE3 LYS A 111 23.284 -7.036 -3.403 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 23.431 -9.324 -4.133 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 23.859 -9.209 -2.494 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 22.336 -9.817 -2.933 1.00 14.52 H new ATOM 1821 N MET A 112 21.553 -3.222 1.283 1.00 13.03 N ATOM 1822 CA MET A 112 22.041 -1.850 1.317 1.00 13.43 C ATOM 1823 C MET A 112 23.222 -1.716 2.259 1.00 13.93 C ATOM 1824 O MET A 112 24.092 -0.885 2.043 1.00 14.71 O ATOM 1825 CB MET A 112 20.938 -0.872 1.718 1.00 12.78 C ATOM 1826 CG MET A 112 19.923 -0.621 0.616 1.00 12.65 C ATOM 1827 SD MET A 112 18.521 0.366 1.174 1.00 12.08 S ATOM 1828 CE MET A 112 19.340 1.899 1.606 1.00 12.60 C ATOM 0 H MET A 112 20.649 -3.361 1.735 1.00 13.03 H new ATOM 0 HA MET A 112 22.368 -1.600 0.308 1.00 13.43 H new ATOM 0 HB2 MET A 112 20.421 -1.259 2.596 1.00 12.78 H new ATOM 0 HB3 MET A 112 21.391 0.076 2.007 1.00 12.78 H new ATOM 0 HG2 MET A 112 20.413 -0.112 -0.215 1.00 12.65 H new ATOM 0 HG3 MET A 112 19.561 -1.576 0.236 1.00 12.65 H new ATOM 0 HE1 MET A 112 18.598 2.690 1.713 1.00 12.60 H new ATOM 0 HE2 MET A 112 19.874 1.773 2.548 1.00 12.60 H new ATOM 0 HE3 MET A 112 20.047 2.168 0.821 1.00 12.60 H new ATOM 1838 N LYS A 113 23.265 -2.537 3.295 1.00 13.65 N ATOM 1839 CA LYS A 113 24.396 -2.511 4.213 1.00 14.28 C ATOM 1840 C LYS A 113 25.627 -3.081 3.512 1.00 15.23 C ATOM 1841 O LYS A 113 26.743 -2.616 3.706 1.00 16.03 O ATOM 1842 CB LYS A 113 24.069 -3.307 5.485 1.00 13.94 C ATOM 1843 CG LYS A 113 24.888 -2.920 6.719 1.00 14.60 C ATOM 1844 CD LYS A 113 26.231 -3.636 6.791 1.00 15.23 C ATOM 1845 CE LYS A 113 27.393 -2.714 6.450 1.00 16.15 C ATOM 1846 NZ LYS A 113 28.703 -3.402 6.588 1.00 16.72 N ATOM 0 H LYS A 113 22.543 -3.221 3.521 1.00 13.65 H new ATOM 0 HA LYS A 113 24.603 -1.482 4.508 1.00 14.28 H new ATOM 0 HB2 LYS A 113 23.011 -3.178 5.714 1.00 13.94 H new ATOM 0 HB3 LYS A 113 24.224 -4.367 5.282 1.00 13.94 H new ATOM 0 HG2 LYS A 113 25.057 -1.843 6.713 1.00 14.60 H new ATOM 0 HG3 LYS A 113 24.313 -3.148 7.616 1.00 14.60 H new ATOM 0 HD2 LYS A 113 26.372 -4.040 7.793 1.00 15.23 H new ATOM 0 HD3 LYS A 113 26.227 -4.482 6.104 1.00 15.23 H new ATOM 0 HE2 LYS A 113 27.280 -2.349 5.429 1.00 16.15 H new ATOM 0 HE3 LYS A 113 27.370 -1.843 7.104 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 29.469 -2.741 6.347 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 28.822 -3.728 7.568 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 28.736 -4.219 5.945 1.00 16.72 H new ATOM 1860 N LEU A 114 25.412 -4.063 2.657 1.00 15.27 N ATOM 1861 CA LEU A 114 26.512 -4.705 1.965 1.00 16.25 C ATOM 1862 C LEU A 114 26.974 -3.884 0.762 1.00 16.89 C ATOM 1863 O LEU A 114 28.112 -3.411 0.715 1.00 17.72 O ATOM 1864 CB LEU A 114 26.096 -6.105 1.508 1.00 16.24 C ATOM 1865 CG LEU A 114 25.663 -7.058 2.624 1.00 16.63 C ATOM 1866 CD1 LEU A 114 25.123 -8.353 2.039 1.00 17.08 C ATOM 1867 CD2 LEU A 114 26.823 -7.343 3.564 1.00 16.95 C ATOM 0 H LEU A 114 24.490 -4.432 2.426 1.00 15.27 H new ATOM 0 HA LEU A 114 27.346 -4.780 2.662 1.00 16.25 H new ATOM 0 HB2 LEU A 114 25.275 -6.008 0.798 1.00 16.24 H new ATOM 0 HB3 LEU A 114 26.930 -6.556 0.971 1.00 16.24 H new ATOM 0 HG LEU A 114 24.868 -6.579 3.195 1.00 16.63 H new ATOM 0 HD11 LEU A 114 24.820 -9.019 2.847 1.00 17.08 H new ATOM 0 HD12 LEU A 114 24.263 -8.135 1.406 1.00 17.08 H new ATOM 0 HD13 LEU A 114 25.899 -8.835 1.444 1.00 17.08 H new ATOM 0 HD21 LEU A 114 26.495 -8.022 4.351 1.00 16.95 H new ATOM 0 HD22 LEU A 114 27.640 -7.801 3.006 1.00 16.95 H new ATOM 0 HD23 LEU A 114 27.167 -6.410 4.010 1.00 16.95 H new ATOM 1879 N MET A 115 26.079 -3.697 -0.200 1.00 16.60 N ATOM 1880 CA MET A 115 26.447 -3.092 -1.475 1.00 17.37 C ATOM 1881 C MET A 115 26.214 -1.584 -1.489 1.00 17.30 C ATOM 1882 O MET A 115 27.086 -0.819 -1.907 1.00 18.16 O ATOM 1883 CB MET A 115 25.661 -3.740 -2.616 1.00 17.40 C ATOM 1884 CG MET A 115 26.011 -3.182 -3.986 1.00 18.36 C ATOM 1885 SD MET A 115 25.043 -3.929 -5.314 1.00 18.37 S ATOM 1886 CE MET A 115 23.392 -3.394 -4.874 1.00 17.17 C ATOM 0 H MET A 115 25.095 -3.955 -0.122 1.00 16.60 H new ATOM 0 HA MET A 115 27.514 -3.266 -1.613 1.00 17.37 H new ATOM 0 HB2 MET A 115 25.848 -4.814 -2.611 1.00 17.40 H new ATOM 0 HB3 MET A 115 24.595 -3.601 -2.437 1.00 17.40 H new ATOM 0 HG2 MET A 115 25.849 -2.104 -3.986 1.00 18.36 H new ATOM 0 HG3 MET A 115 27.071 -3.345 -4.180 1.00 18.36 H new ATOM 0 HE1 MET A 115 22.731 -3.508 -5.733 1.00 17.17 H new ATOM 0 HE2 MET A 115 23.021 -4.001 -4.048 1.00 17.17 H new ATOM 0 HE3 MET A 115 23.417 -2.347 -4.573 1.00 17.17 H new ATOM 1896 N GLU A 116 25.046 -1.161 -1.028 1.00 16.38 N ATOM 1897 CA GLU A 116 24.645 0.237 -1.136 1.00 16.41 C ATOM 1898 C GLU A 116 25.420 1.122 -0.163 1.00 16.77 C ATOM 1899 O GLU A 116 25.428 2.345 -0.288 1.00 17.19 O ATOM 1900 CB GLU A 116 23.144 0.373 -0.901 1.00 15.41 C ATOM 1901 CG GLU A 116 22.308 -0.470 -1.856 1.00 15.12 C ATOM 1902 CD GLU A 116 22.375 0.010 -3.294 1.00 15.91 C ATOM 1903 OE1 GLU A 116 23.490 0.131 -3.842 1.00 16.27 O ATOM 1904 OE2 GLU A 116 21.304 0.246 -3.892 1.00 16.29 O ATOM 0 H GLU A 116 24.359 -1.764 -0.576 1.00 16.38 H new ATOM 0 HA GLU A 116 24.880 0.575 -2.145 1.00 16.41 H new ATOM 0 HB2 GLU A 116 22.916 0.083 0.125 1.00 15.41 H new ATOM 0 HB3 GLU A 116 22.860 1.420 -1.007 1.00 15.41 H new ATOM 0 HG2 GLU A 116 22.648 -1.505 -1.809 1.00 15.12 H new ATOM 0 HG3 GLU A 116 21.270 -0.460 -1.525 1.00 15.12 H new ATOM 1911 N LEU A 117 26.067 0.488 0.804 1.00 16.72 N ATOM 1912 CA LEU A 117 26.820 1.198 1.827 1.00 17.21 C ATOM 1913 C LEU A 117 28.072 1.807 1.207 1.00 18.39 C ATOM 1914 O LEU A 117 28.258 3.025 1.218 1.00 18.98 O ATOM 1915 CB LEU A 117 27.193 0.224 2.958 1.00 17.03 C ATOM 1916 CG LEU A 117 27.466 0.831 4.343 1.00 17.18 C ATOM 1917 CD1 LEU A 117 28.745 1.655 4.347 1.00 18.26 C ATOM 1918 CD2 LEU A 117 26.283 1.678 4.797 1.00 16.60 C ATOM 0 H LEU A 117 26.085 -0.527 0.901 1.00 16.72 H new ATOM 0 HA LEU A 117 26.212 2.001 2.244 1.00 17.21 H new ATOM 0 HB2 LEU A 117 26.386 -0.501 3.060 1.00 17.03 H new ATOM 0 HB3 LEU A 117 28.081 -0.328 2.650 1.00 17.03 H new ATOM 0 HG LEU A 117 27.599 0.009 5.046 1.00 17.18 H new ATOM 0 HD11 LEU A 117 28.908 2.070 5.342 1.00 18.26 H new ATOM 0 HD12 LEU A 117 29.588 1.019 4.076 1.00 18.26 H new ATOM 0 HD13 LEU A 117 28.657 2.467 3.626 1.00 18.26 H new ATOM 0 HD21 LEU A 117 26.494 2.100 5.780 1.00 16.60 H new ATOM 0 HD22 LEU A 117 26.118 2.485 4.083 1.00 16.60 H new ATOM 0 HD23 LEU A 117 25.390 1.055 4.853 1.00 16.60 H new ATOM 1930 N ALA A 118 28.892 0.936 0.629 1.00 18.81 N ATOM 1931 CA ALA A 118 30.166 1.311 0.032 1.00 19.94 C ATOM 1932 C ALA A 118 30.889 0.070 -0.448 1.00 20.25 C ATOM 1933 O ALA A 118 31.721 0.137 -1.352 1.00 20.88 O ATOM 1934 CB ALA A 118 31.055 2.054 1.020 1.00 20.42 C ATOM 0 H ALA A 118 28.687 -0.061 0.562 1.00 18.81 H new ATOM 0 HA ALA A 118 29.956 1.976 -0.806 1.00 19.94 H new ATOM 0 HB1 ALA A 118 31.996 2.316 0.537 1.00 20.42 H new ATOM 0 HB2 ALA A 118 30.551 2.962 1.351 1.00 20.42 H new ATOM 0 HB3 ALA A 118 31.255 1.416 1.881 1.00 20.42 H new ATOM 1940 N ILE A 119 30.564 -1.062 0.188 1.00 19.90 N ATOM 1941 CA ILE A 119 31.184 -2.355 -0.088 1.00 20.25 C ATOM 1942 C ILE A 119 32.617 -2.407 0.439 1.00 21.12 C ATOM 1943 O ILE A 119 32.976 -3.316 1.187 1.00 21.13 O ATOM 1944 CB ILE A 119 31.189 -2.704 -1.588 1.00 20.40 C ATOM 1945 CG1 ILE A 119 29.804 -2.488 -2.202 1.00 20.16 C ATOM 1946 CG2 ILE A 119 31.611 -4.148 -1.762 1.00 20.03 C ATOM 1947 CD1 ILE A 119 29.746 -2.761 -3.692 1.00 20.59 C ATOM 0 H ILE A 119 29.853 -1.102 0.918 1.00 19.90 H new ATOM 0 HA ILE A 119 30.573 -3.093 0.432 1.00 20.25 H new ATOM 0 HB ILE A 119 31.893 -2.049 -2.100 1.00 20.40 H new ATOM 0 HG12 ILE A 119 29.087 -3.135 -1.695 1.00 20.16 H new ATOM 0 HG13 ILE A 119 29.492 -1.460 -2.018 1.00 20.16 H new ATOM 0 HG21 ILE A 119 31.616 -4.400 -2.822 1.00 20.03 H new ATOM 0 HG22 ILE A 119 32.611 -4.287 -1.351 1.00 20.03 H new ATOM 0 HG23 ILE A 119 30.910 -4.798 -1.238 1.00 20.03 H new ATOM 0 HD11 ILE A 119 28.733 -2.586 -4.055 1.00 20.59 H new ATOM 0 HD12 ILE A 119 30.437 -2.096 -4.211 1.00 20.59 H new ATOM 0 HD13 ILE A 119 30.026 -3.797 -3.883 1.00 20.59 H new ATOM 1959 N LEU A 120 33.391 -1.388 0.076 1.00 21.92 N ATOM 1960 CA LEU A 120 34.805 -1.292 0.368 1.00 22.85 C ATOM 1961 C LEU A 120 35.591 -2.501 -0.130 1.00 23.12 C ATOM 1962 O LEU A 120 35.469 -3.616 0.374 1.00 23.32 O ATOM 1963 CB LEU A 120 34.993 -1.052 1.849 1.00 23.66 C ATOM 1964 CG LEU A 120 36.072 -0.022 2.183 1.00 23.95 C ATOM 1965 CD1 LEU A 120 37.424 -0.468 1.645 1.00 23.98 C ATOM 1966 CD2 LEU A 120 35.678 1.327 1.602 1.00 23.52 C ATOM 0 H LEU A 120 33.034 -0.586 -0.444 1.00 21.92 H new ATOM 0 HA LEU A 120 35.214 -0.443 -0.179 1.00 22.85 H new ATOM 0 HB2 LEU A 120 34.046 -0.721 2.276 1.00 23.66 H new ATOM 0 HB3 LEU A 120 35.247 -1.997 2.330 1.00 23.66 H new ATOM 0 HG LEU A 120 36.159 0.069 3.266 1.00 23.95 H new ATOM 0 HD11 LEU A 120 38.179 0.279 1.893 1.00 23.98 H new ATOM 0 HD12 LEU A 120 37.697 -1.423 2.094 1.00 23.98 H new ATOM 0 HD13 LEU A 120 37.366 -0.579 0.562 1.00 23.98 H new ATOM 0 HD21 LEU A 120 36.446 2.063 1.839 1.00 23.52 H new ATOM 0 HD22 LEU A 120 35.578 1.242 0.520 1.00 23.52 H new ATOM 0 HD23 LEU A 120 34.727 1.644 2.030 1.00 23.52 H new ATOM 1978 N ASN A 121 36.410 -2.248 -1.135 1.00 23.21 N ATOM 1979 CA ASN A 121 37.178 -3.286 -1.792 1.00 23.56 C ATOM 1980 C ASN A 121 38.341 -2.644 -2.537 1.00 24.31 C ATOM 1981 O ASN A 121 38.651 -1.476 -2.301 1.00 24.76 O ATOM 1982 CB ASN A 121 36.279 -4.075 -2.750 1.00 23.18 C ATOM 1983 CG ASN A 121 35.798 -3.249 -3.930 1.00 23.09 C ATOM 1984 OD1 ASN A 121 36.409 -3.263 -4.995 1.00 23.47 O ATOM 1985 ND2 ASN A 121 34.708 -2.514 -3.748 1.00 22.69 N ATOM 0 H ASN A 121 36.560 -1.315 -1.518 1.00 23.21 H new ATOM 0 HA ASN A 121 37.573 -3.983 -1.053 1.00 23.56 H new ATOM 0 HB2 ASN A 121 36.825 -4.943 -3.120 1.00 23.18 H new ATOM 0 HB3 ASN A 121 35.416 -4.452 -2.202 1.00 23.18 H new ATOM 0 HD21 ASN A 121 34.351 -1.935 -4.508 1.00 22.69 H new ATOM 0 HD22 ASN A 121 34.227 -2.529 -2.848 1.00 22.69 H new