USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 888 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 30 ASN : amide:sc= -0.154 K(o=-0.31,f=-2.5!) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -157:sc= -0.152 (180deg=-0.656) USER MOD Single : A 29 SER OG : rot -170:sc= -0.396 USER MOD Single : A 33 LYS NZ :NH3+ -174:sc=-0.00306 (180deg=-0.0781) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.026 (180deg=-0.255) USER MOD Single : A 41 MET CE :methyl 174:sc= 0 (180deg=-0.0645) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 53:sc= 0.0429 USER MOD Single : A 54 THR OG1 : rot 46:sc= 0.249 USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= -0.0196 (180deg=-0.187) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 68:sc= 0.925 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 2.34 (180deg=2.32) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= -0.0748 (180deg=-0.338) USER MOD Single : A 86 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0.708) USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 1.3 (180deg=1.17) USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= 0.991 (180deg=0.0626) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 0.882 (180deg=0.724) USER MOD Single : A 95 LYS NZ :NH3+ -174:sc= -0.719 (180deg=-0.818) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 2.24 (180deg=2.19) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= -0.0416 (180deg=-0.253) USER MOD Single : A 106 THR OG1 : rot 168:sc= -1.06 USER MOD Single : A 107 SER OG : rot 170:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 106:sc= 0.834 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.293 13.256 -3.605 1.00 1.16 N ATOM 2 CA GLY A 22 -2.867 12.527 -2.386 1.00 1.05 C ATOM 3 C GLY A 22 -2.885 11.033 -2.599 1.00 0.87 C ATOM 4 O GLY A 22 -3.657 10.532 -3.419 1.00 0.89 O ATOM 0 HA2 GLY A 22 -1.863 12.843 -2.104 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -3.527 12.785 -1.557 1.00 1.05 H new ATOM 7 N LEU A 23 -2.043 10.316 -1.868 1.00 0.75 N ATOM 8 CA LEU A 23 -1.943 8.874 -2.034 1.00 0.62 C ATOM 9 C LEU A 23 -2.173 8.157 -0.715 1.00 0.51 C ATOM 10 O LEU A 23 -1.768 8.637 0.346 1.00 0.59 O ATOM 11 CB LEU A 23 -0.559 8.479 -2.562 1.00 0.75 C ATOM 12 CG LEU A 23 -0.078 9.223 -3.803 1.00 1.22 C ATOM 13 CD1 LEU A 23 1.354 8.833 -4.108 1.00 1.78 C ATOM 14 CD2 LEU A 23 -0.975 8.927 -4.993 1.00 1.91 C ATOM 0 H LEU A 23 -1.423 10.707 -1.159 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.710 8.580 -2.751 1.00 0.62 H new ATOM 0 HB2 LEU A 23 0.169 8.633 -1.766 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.568 7.412 -2.783 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.123 10.295 -3.608 1.00 1.22 H new ATOM 0 HD11 LEU A 23 1.695 9.366 -4.995 1.00 1.78 H new ATOM 0 HD12 LEU A 23 1.990 9.093 -3.262 1.00 1.78 H new ATOM 0 HD13 LEU A 23 1.408 7.759 -4.287 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -0.612 9.469 -5.866 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -0.964 7.857 -5.200 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -1.994 9.243 -4.768 1.00 1.91 H new ATOM 26 N LEU A 24 -2.827 7.014 -0.793 1.00 0.40 N ATOM 27 CA LEU A 24 -2.932 6.119 0.342 1.00 0.39 C ATOM 28 C LEU A 24 -2.227 4.824 -0.005 1.00 0.38 C ATOM 29 O LEU A 24 -2.399 4.292 -1.100 1.00 0.50 O ATOM 30 CB LEU A 24 -4.391 5.836 0.712 1.00 0.44 C ATOM 31 CG LEU A 24 -4.571 4.833 1.856 1.00 0.50 C ATOM 32 CD1 LEU A 24 -4.184 5.457 3.186 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.996 4.318 1.900 1.00 1.24 C ATOM 0 H LEU A 24 -3.296 6.682 -1.636 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.467 6.593 1.207 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.871 6.774 0.989 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.910 5.460 -0.170 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.909 3.987 1.672 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.320 4.727 3.984 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.140 5.767 3.152 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.814 6.325 3.378 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -6.101 3.607 2.720 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.680 5.153 2.054 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -6.233 3.823 0.958 1.00 1.24 H new ATOM 45 N VAL A 25 -1.423 4.331 0.910 1.00 0.37 N ATOM 46 CA VAL A 25 -0.632 3.149 0.657 1.00 0.40 C ATOM 47 C VAL A 25 -0.879 2.103 1.734 1.00 0.42 C ATOM 48 O VAL A 25 -1.079 2.427 2.901 1.00 0.56 O ATOM 49 CB VAL A 25 0.878 3.501 0.598 1.00 0.49 C ATOM 50 CG1 VAL A 25 1.728 2.273 0.307 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.141 4.590 -0.435 1.00 0.84 C ATOM 0 H VAL A 25 -1.300 4.733 1.840 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.933 2.741 -0.308 1.00 0.40 H new ATOM 0 HB VAL A 25 1.164 3.878 1.580 1.00 0.49 H new ATOM 0 HG11 VAL A 25 2.780 2.558 0.273 1.00 0.95 H new ATOM 0 HG12 VAL A 25 1.578 1.532 1.092 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.436 1.848 -0.653 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.206 4.820 -0.458 1.00 0.84 H new ATOM 0 HG22 VAL A 25 0.823 4.243 -1.418 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.582 5.487 -0.168 1.00 0.84 H new ATOM 61 N LEU A 26 -0.903 0.849 1.332 1.00 0.46 N ATOM 62 CA LEU A 26 -0.982 -0.246 2.277 1.00 0.57 C ATOM 63 C LEU A 26 -0.079 -1.369 1.799 1.00 0.51 C ATOM 64 O LEU A 26 -0.023 -1.670 0.603 1.00 0.58 O ATOM 65 CB LEU A 26 -2.439 -0.705 2.477 1.00 0.75 C ATOM 66 CG LEU A 26 -3.207 -1.087 1.201 1.00 0.74 C ATOM 67 CD1 LEU A 26 -3.007 -2.556 0.829 1.00 1.17 C ATOM 68 CD2 LEU A 26 -4.687 -0.775 1.361 1.00 1.00 C ATOM 0 H LEU A 26 -0.869 0.562 0.354 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.635 0.083 3.256 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.439 -1.564 3.148 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.985 0.093 2.980 1.00 0.75 H new ATOM 0 HG LEU A 26 -2.803 -0.488 0.385 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -3.568 -2.781 -0.078 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -1.948 -2.747 0.658 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -3.363 -3.189 1.642 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -5.218 -1.051 0.450 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -5.090 -1.341 2.201 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -4.816 0.291 1.547 1.00 1.00 H new ATOM 80 N ILE A 27 0.669 -1.952 2.718 1.00 0.50 N ATOM 81 CA ILE A 27 1.692 -2.910 2.350 1.00 0.49 C ATOM 82 C ILE A 27 1.609 -4.153 3.215 1.00 0.51 C ATOM 83 O ILE A 27 1.226 -4.087 4.384 1.00 0.72 O ATOM 84 CB ILE A 27 3.116 -2.301 2.481 1.00 0.59 C ATOM 85 CG1 ILE A 27 3.500 -2.125 3.954 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.190 -0.956 1.772 1.00 1.00 C ATOM 87 CD1 ILE A 27 4.901 -1.587 4.159 1.00 0.96 C ATOM 0 H ILE A 27 0.587 -1.779 3.720 1.00 0.50 H new ATOM 0 HA ILE A 27 1.514 -3.178 1.308 1.00 0.49 H new ATOM 0 HB ILE A 27 3.818 -2.991 2.013 1.00 0.59 H new ATOM 0 HG12 ILE A 27 2.788 -1.449 4.427 1.00 0.87 H new ATOM 0 HG13 ILE A 27 3.412 -3.086 4.460 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.194 -0.545 1.875 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.959 -1.089 0.715 1.00 1.00 H new ATOM 0 HG23 ILE A 27 2.470 -0.270 2.218 1.00 1.00 H new ATOM 0 HD11 ILE A 27 5.101 -1.489 5.226 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.623 -2.273 3.716 1.00 0.96 H new ATOM 0 HD13 ILE A 27 4.989 -0.611 3.683 1.00 0.96 H new ATOM 99 N TRP A 28 1.959 -5.285 2.638 1.00 0.45 N ATOM 100 CA TRP A 28 2.078 -6.504 3.407 1.00 0.48 C ATOM 101 C TRP A 28 3.330 -7.242 2.963 1.00 0.48 C ATOM 102 O TRP A 28 3.337 -7.964 1.964 1.00 0.49 O ATOM 103 CB TRP A 28 0.829 -7.373 3.219 1.00 0.56 C ATOM 104 CG TRP A 28 0.656 -8.428 4.269 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.057 -8.311 5.426 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.196 -9.755 4.262 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.003 -9.482 6.138 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.768 -10.384 5.446 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.999 -10.475 3.370 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.116 -11.695 5.761 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.343 -11.775 3.683 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.902 -12.373 4.870 1.00 2.06 C ATOM 0 H TRP A 28 2.165 -5.385 1.644 1.00 0.45 H new ATOM 0 HA TRP A 28 2.160 -6.269 4.468 1.00 0.48 H new ATOM 0 HB2 TRP A 28 -0.051 -6.730 3.216 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.877 -7.853 2.241 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.591 -7.425 5.736 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.448 -9.653 7.036 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.344 -10.021 2.452 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.778 -12.160 6.675 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 2.962 -12.340 3.002 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.189 -13.391 5.087 1.00 2.06 H new ATOM 123 N SER A 29 4.405 -6.998 3.687 1.00 0.50 N ATOM 124 CA SER A 29 5.666 -7.679 3.472 1.00 0.54 C ATOM 125 C SER A 29 6.349 -7.889 4.811 1.00 0.60 C ATOM 126 O SER A 29 5.964 -7.262 5.799 1.00 0.87 O ATOM 127 CB SER A 29 6.563 -6.844 2.558 1.00 0.57 C ATOM 128 OG SER A 29 5.886 -6.490 1.364 1.00 1.29 O ATOM 0 H SER A 29 4.428 -6.317 4.446 1.00 0.50 H new ATOM 0 HA SER A 29 5.483 -8.643 2.997 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.881 -5.942 3.081 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.465 -7.406 2.316 1.00 0.57 H new ATOM 0 HG SER A 29 6.523 -6.096 0.732 1.00 1.29 H new ATOM 134 N ASN A 30 7.353 -8.744 4.865 1.00 0.65 N ATOM 135 CA ASN A 30 8.181 -8.810 6.056 1.00 0.69 C ATOM 136 C ASN A 30 9.651 -8.858 5.667 1.00 0.68 C ATOM 137 O ASN A 30 10.307 -9.896 5.748 1.00 0.75 O ATOM 138 CB ASN A 30 7.805 -10.027 6.908 1.00 0.81 C ATOM 139 CG ASN A 30 8.358 -9.952 8.323 1.00 1.55 C ATOM 140 OD1 ASN A 30 9.420 -9.378 8.571 1.00 2.33 O ATOM 141 ND2 ASN A 30 7.632 -10.527 9.268 1.00 2.23 N ATOM 0 H ASN A 30 7.612 -9.389 4.118 1.00 0.65 H new ATOM 0 HA ASN A 30 8.008 -7.914 6.653 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.719 -10.112 6.952 1.00 0.81 H new ATOM 0 HB3 ASN A 30 8.177 -10.931 6.425 1.00 0.81 H new ATOM 0 HD21 ASN A 30 7.947 -10.504 10.238 1.00 2.23 H new ATOM 0 HD22 ASN A 30 6.758 -10.993 9.027 1.00 2.23 H new ATOM 148 N ASP A 31 10.146 -7.723 5.205 1.00 0.63 N ATOM 149 CA ASP A 31 11.572 -7.491 5.069 1.00 0.64 C ATOM 150 C ASP A 31 11.965 -6.353 5.996 1.00 0.65 C ATOM 151 O ASP A 31 11.202 -5.396 6.131 1.00 0.78 O ATOM 152 CB ASP A 31 11.952 -7.175 3.622 1.00 0.67 C ATOM 153 CG ASP A 31 13.425 -6.847 3.465 1.00 0.72 C ATOM 154 OD1 ASP A 31 14.212 -7.757 3.129 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.806 -5.678 3.675 1.00 1.13 O ATOM 0 H ASP A 31 9.568 -6.935 4.913 1.00 0.63 H new ATOM 0 HA ASP A 31 12.113 -8.396 5.345 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.704 -8.028 2.990 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.356 -6.333 3.269 1.00 0.67 H new ATOM 160 N LYS A 32 13.116 -6.436 6.639 1.00 0.69 N ATOM 161 CA LYS A 32 13.485 -5.444 7.644 1.00 0.77 C ATOM 162 C LYS A 32 13.510 -4.028 7.065 1.00 0.71 C ATOM 163 O LYS A 32 12.722 -3.171 7.477 1.00 0.77 O ATOM 164 CB LYS A 32 14.833 -5.787 8.285 1.00 0.97 C ATOM 165 CG LYS A 32 14.744 -6.704 9.508 1.00 1.52 C ATOM 166 CD LYS A 32 14.285 -8.121 9.168 1.00 2.06 C ATOM 167 CE LYS A 32 12.766 -8.245 9.100 1.00 2.28 C ATOM 168 NZ LYS A 32 12.107 -7.887 10.384 1.00 3.05 N ATOM 0 H LYS A 32 13.808 -7.170 6.489 1.00 0.69 H new ATOM 0 HA LYS A 32 12.717 -5.470 8.417 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.466 -6.263 7.536 1.00 0.97 H new ATOM 0 HB3 LYS A 32 15.327 -4.861 8.577 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.721 -6.752 9.990 1.00 1.52 H new ATOM 0 HG3 LYS A 32 14.053 -6.269 10.230 1.00 1.52 H new ATOM 0 HD2 LYS A 32 14.713 -8.418 8.211 1.00 2.06 H new ATOM 0 HD3 LYS A 32 14.669 -8.813 9.917 1.00 2.06 H new ATOM 0 HE2 LYS A 32 12.387 -7.599 8.308 1.00 2.28 H new ATOM 0 HE3 LYS A 32 12.500 -9.267 8.831 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 11.171 -8.338 10.431 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 12.691 -8.218 11.178 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 11.997 -6.854 10.442 1.00 3.05 H new ATOM 182 N LYS A 33 14.374 -3.801 6.085 1.00 0.71 N ATOM 183 CA LYS A 33 14.571 -2.461 5.542 1.00 0.75 C ATOM 184 C LYS A 33 13.441 -2.051 4.602 1.00 0.64 C ATOM 185 O LYS A 33 13.241 -0.864 4.362 1.00 0.63 O ATOM 186 CB LYS A 33 15.905 -2.367 4.799 1.00 0.94 C ATOM 187 CG LYS A 33 17.111 -2.707 5.658 1.00 1.55 C ATOM 188 CD LYS A 33 18.418 -2.399 4.941 1.00 2.09 C ATOM 189 CE LYS A 33 18.532 -3.134 3.613 1.00 2.72 C ATOM 190 NZ LYS A 33 18.447 -4.609 3.775 1.00 3.16 N ATOM 0 H LYS A 33 14.948 -4.523 5.650 1.00 0.71 H new ATOM 0 HA LYS A 33 14.575 -1.777 6.391 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.881 -3.039 3.941 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.022 -1.356 4.409 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.065 -2.143 6.589 1.00 1.55 H new ATOM 0 HG3 LYS A 33 17.082 -3.764 5.924 1.00 1.55 H new ATOM 0 HD2 LYS A 33 18.491 -1.325 4.768 1.00 2.09 H new ATOM 0 HD3 LYS A 33 19.256 -2.676 5.581 1.00 2.09 H new ATOM 0 HE2 LYS A 33 17.739 -2.798 2.945 1.00 2.72 H new ATOM 0 HE3 LYS A 33 19.479 -2.877 3.138 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 18.631 -5.070 2.861 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 19.154 -4.923 4.470 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 17.496 -4.867 4.108 1.00 3.16 H new ATOM 204 N LEU A 34 12.704 -3.023 4.079 1.00 0.62 N ATOM 205 CA LEU A 34 11.652 -2.741 3.107 1.00 0.61 C ATOM 206 C LEU A 34 10.589 -1.828 3.706 1.00 0.54 C ATOM 207 O LEU A 34 10.226 -0.810 3.115 1.00 0.61 O ATOM 208 CB LEU A 34 11.018 -4.042 2.617 1.00 0.66 C ATOM 209 CG LEU A 34 9.941 -3.891 1.536 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.522 -3.256 0.286 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.330 -5.243 1.203 1.00 1.59 C ATOM 0 H LEU A 34 12.814 -4.011 4.310 1.00 0.62 H new ATOM 0 HA LEU A 34 12.103 -2.228 2.257 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.808 -4.686 2.230 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.579 -4.555 3.472 1.00 0.66 H new ATOM 0 HG LEU A 34 9.158 -3.239 1.923 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.742 -3.158 -0.469 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.918 -2.270 0.529 1.00 1.22 H new ATOM 0 HD13 LEU A 34 11.325 -3.884 -0.102 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.567 -5.118 0.434 1.00 1.59 H new ATOM 0 HD22 LEU A 34 10.108 -5.914 0.837 1.00 1.59 H new ATOM 0 HD23 LEU A 34 8.876 -5.668 2.098 1.00 1.59 H new ATOM 223 N ILE A 35 10.111 -2.183 4.889 1.00 0.48 N ATOM 224 CA ILE A 35 9.096 -1.390 5.561 1.00 0.49 C ATOM 225 C ILE A 35 9.694 -0.073 6.053 1.00 0.48 C ATOM 226 O ILE A 35 9.061 0.978 5.956 1.00 0.53 O ATOM 227 CB ILE A 35 8.436 -2.160 6.738 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.549 -3.297 6.209 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.616 -1.225 7.619 1.00 0.64 C ATOM 230 CD1 ILE A 35 8.304 -4.546 5.814 1.00 1.01 C ATOM 0 H ILE A 35 10.409 -3.013 5.401 1.00 0.48 H new ATOM 0 HA ILE A 35 8.312 -1.179 4.834 1.00 0.49 H new ATOM 0 HB ILE A 35 9.235 -2.587 7.344 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.817 -3.556 6.974 1.00 0.61 H new ATOM 0 HG13 ILE A 35 6.992 -2.935 5.345 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.167 -1.793 8.434 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.264 -0.451 8.031 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.830 -0.761 7.024 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.601 -5.297 5.452 1.00 1.01 H new ATOM 0 HD12 ILE A 35 9.017 -4.306 5.025 1.00 1.01 H new ATOM 0 HD13 ILE A 35 8.839 -4.937 6.680 1.00 1.01 H new ATOM 242 N GLU A 36 10.929 -0.131 6.543 1.00 0.50 N ATOM 243 CA GLU A 36 11.615 1.061 7.035 1.00 0.53 C ATOM 244 C GLU A 36 11.767 2.108 5.933 1.00 0.48 C ATOM 245 O GLU A 36 11.346 3.258 6.091 1.00 0.51 O ATOM 246 CB GLU A 36 13.000 0.706 7.577 1.00 0.66 C ATOM 247 CG GLU A 36 12.987 -0.191 8.802 1.00 1.22 C ATOM 248 CD GLU A 36 14.382 -0.459 9.321 1.00 1.73 C ATOM 249 OE1 GLU A 36 14.833 -1.620 9.275 1.00 2.62 O ATOM 250 OE2 GLU A 36 15.044 0.500 9.776 1.00 2.01 O ATOM 0 H GLU A 36 11.475 -0.990 6.610 1.00 0.50 H new ATOM 0 HA GLU A 36 11.004 1.475 7.837 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.569 0.214 6.788 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.527 1.628 7.823 1.00 0.66 H new ATOM 0 HG2 GLU A 36 12.391 0.275 9.587 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.504 -1.136 8.554 1.00 1.22 H new ATOM 257 N GLU A 37 12.359 1.694 4.822 1.00 0.48 N ATOM 258 CA GLU A 37 12.642 2.590 3.709 1.00 0.51 C ATOM 259 C GLU A 37 11.363 3.162 3.110 1.00 0.44 C ATOM 260 O GLU A 37 11.298 4.355 2.797 1.00 0.48 O ATOM 261 CB GLU A 37 13.448 1.856 2.640 1.00 0.65 C ATOM 262 CG GLU A 37 14.897 1.614 3.037 1.00 0.80 C ATOM 263 CD GLU A 37 15.712 2.890 3.071 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.600 3.053 2.206 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.460 3.746 3.947 1.00 1.55 O ATOM 0 H GLU A 37 12.656 0.731 4.666 1.00 0.48 H new ATOM 0 HA GLU A 37 13.229 3.426 4.091 1.00 0.51 H new ATOM 0 HB2 GLU A 37 12.972 0.898 2.430 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.424 2.434 1.716 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.927 1.142 4.019 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.351 0.916 2.334 1.00 0.80 H new ATOM 272 N ALA A 38 10.351 2.317 2.961 1.00 0.40 N ATOM 273 CA ALA A 38 9.076 2.751 2.411 1.00 0.42 C ATOM 274 C ALA A 38 8.403 3.754 3.340 1.00 0.39 C ATOM 275 O ALA A 38 7.859 4.763 2.891 1.00 0.42 O ATOM 276 CB ALA A 38 8.164 1.556 2.171 1.00 0.50 C ATOM 0 H ALA A 38 10.389 1.329 3.213 1.00 0.40 H new ATOM 0 HA ALA A 38 9.265 3.240 1.456 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.215 1.899 1.760 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.638 0.872 1.467 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.985 1.040 3.114 1.00 0.50 H new ATOM 282 N ARG A 39 8.469 3.477 4.638 1.00 0.41 N ATOM 283 CA ARG A 39 7.847 4.328 5.645 1.00 0.50 C ATOM 284 C ARG A 39 8.455 5.727 5.640 1.00 0.46 C ATOM 285 O ARG A 39 7.749 6.719 5.827 1.00 0.52 O ATOM 286 CB ARG A 39 7.982 3.687 7.030 1.00 0.62 C ATOM 287 CG ARG A 39 7.329 4.487 8.143 1.00 1.18 C ATOM 288 CD ARG A 39 7.191 3.671 9.418 1.00 1.43 C ATOM 289 NE ARG A 39 8.478 3.207 9.937 1.00 1.88 N ATOM 290 CZ ARG A 39 8.604 2.422 11.008 1.00 2.58 C ATOM 291 NH1 ARG A 39 7.527 2.036 11.680 1.00 2.84 N ATOM 292 NH2 ARG A 39 9.808 2.036 11.414 1.00 3.48 N ATOM 0 H ARG A 39 8.951 2.663 5.019 1.00 0.41 H new ATOM 0 HA ARG A 39 6.789 4.426 5.402 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.540 2.691 7.004 1.00 0.62 H new ATOM 0 HB3 ARG A 39 9.040 3.560 7.259 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.921 5.380 8.345 1.00 1.18 H new ATOM 0 HG3 ARG A 39 6.344 4.824 7.819 1.00 1.18 H new ATOM 0 HD2 ARG A 39 6.694 4.274 10.178 1.00 1.43 H new ATOM 0 HD3 ARG A 39 6.551 2.810 9.225 1.00 1.43 H new ATOM 0 HE ARG A 39 9.326 3.500 9.453 1.00 1.88 H new ATOM 0 HH11 ARG A 39 6.601 2.340 11.378 1.00 2.84 H new ATOM 0 HH12 ARG A 39 7.625 1.436 12.499 1.00 2.84 H new ATOM 0 HH21 ARG A 39 10.639 2.340 10.907 1.00 3.48 H new ATOM 0 HH22 ARG A 39 9.902 1.436 12.233 1.00 3.48 H new ATOM 306 N LYS A 40 9.759 5.805 5.415 1.00 0.45 N ATOM 307 CA LYS A 40 10.448 7.089 5.391 1.00 0.49 C ATOM 308 C LYS A 40 10.122 7.876 4.127 1.00 0.42 C ATOM 309 O LYS A 40 9.805 9.062 4.198 1.00 0.47 O ATOM 310 CB LYS A 40 11.959 6.893 5.520 1.00 0.62 C ATOM 311 CG LYS A 40 12.399 6.427 6.899 1.00 1.06 C ATOM 312 CD LYS A 40 12.005 7.430 7.974 1.00 1.58 C ATOM 313 CE LYS A 40 12.490 7.007 9.352 1.00 2.12 C ATOM 314 NZ LYS A 40 13.969 6.888 9.409 1.00 2.95 N ATOM 0 H LYS A 40 10.360 4.998 5.247 1.00 0.45 H new ATOM 0 HA LYS A 40 10.095 7.667 6.245 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.287 6.165 4.778 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.460 7.833 5.287 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.948 5.459 7.119 1.00 1.06 H new ATOM 0 HG3 LYS A 40 13.480 6.285 6.910 1.00 1.06 H new ATOM 0 HD2 LYS A 40 12.420 8.407 7.728 1.00 1.58 H new ATOM 0 HD3 LYS A 40 10.921 7.539 7.989 1.00 1.58 H new ATOM 0 HE2 LYS A 40 12.156 7.734 10.093 1.00 2.12 H new ATOM 0 HE3 LYS A 40 12.039 6.051 9.617 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 14.275 6.833 10.401 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 14.268 6.028 8.907 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 14.402 7.720 8.959 1.00 2.95 H new ATOM 328 N MET A 41 10.185 7.217 2.976 1.00 0.39 N ATOM 329 CA MET A 41 9.920 7.888 1.705 1.00 0.41 C ATOM 330 C MET A 41 8.469 8.353 1.635 1.00 0.42 C ATOM 331 O MET A 41 8.177 9.445 1.147 1.00 0.52 O ATOM 332 CB MET A 41 10.247 6.966 0.525 1.00 0.48 C ATOM 333 CG MET A 41 9.989 7.603 -0.842 1.00 0.69 C ATOM 334 SD MET A 41 10.815 9.196 -1.053 1.00 1.10 S ATOM 335 CE MET A 41 12.535 8.698 -1.077 1.00 1.55 C ATOM 0 H MET A 41 10.415 6.227 2.894 1.00 0.39 H new ATOM 0 HA MET A 41 10.565 8.764 1.642 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.294 6.669 0.586 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.653 6.056 0.610 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.325 6.921 -1.623 1.00 0.69 H new ATOM 0 HG3 MET A 41 8.916 7.737 -0.976 1.00 0.69 H new ATOM 0 HE1 MET A 41 13.160 9.561 -1.307 1.00 1.55 H new ATOM 0 HE2 MET A 41 12.812 8.299 -0.101 1.00 1.55 H new ATOM 0 HE3 MET A 41 12.681 7.931 -1.837 1.00 1.55 H new ATOM 345 N ALA A 42 7.562 7.530 2.145 1.00 0.40 N ATOM 346 CA ALA A 42 6.150 7.884 2.173 1.00 0.49 C ATOM 347 C ALA A 42 5.904 9.050 3.122 1.00 0.51 C ATOM 348 O ALA A 42 5.060 9.904 2.860 1.00 0.59 O ATOM 349 CB ALA A 42 5.309 6.689 2.578 1.00 0.58 C ATOM 0 H ALA A 42 7.778 6.616 2.543 1.00 0.40 H new ATOM 0 HA ALA A 42 5.857 8.191 1.169 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.257 6.973 2.593 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.456 5.881 1.862 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.609 6.353 3.571 1.00 0.58 H new ATOM 355 N GLU A 43 6.655 9.085 4.216 1.00 0.50 N ATOM 356 CA GLU A 43 6.530 10.157 5.197 1.00 0.60 C ATOM 357 C GLU A 43 6.999 11.480 4.601 1.00 0.62 C ATOM 358 O GLU A 43 6.372 12.520 4.801 1.00 0.73 O ATOM 359 CB GLU A 43 7.336 9.824 6.456 1.00 0.67 C ATOM 360 CG GLU A 43 7.178 10.839 7.574 1.00 0.97 C ATOM 361 CD GLU A 43 7.813 10.379 8.868 1.00 1.62 C ATOM 362 OE1 GLU A 43 7.103 9.775 9.701 1.00 2.16 O ATOM 363 OE2 GLU A 43 9.025 10.615 9.066 1.00 2.38 O ATOM 0 H GLU A 43 7.358 8.383 4.447 1.00 0.50 H new ATOM 0 HA GLU A 43 5.480 10.254 5.473 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.030 8.844 6.822 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.391 9.751 6.191 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.627 11.784 7.269 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.118 11.029 7.741 1.00 0.97 H new ATOM 370 N LYS A 44 8.089 11.430 3.847 1.00 0.58 N ATOM 371 CA LYS A 44 8.629 12.620 3.198 1.00 0.66 C ATOM 372 C LYS A 44 7.683 13.124 2.111 1.00 0.66 C ATOM 373 O LYS A 44 7.686 14.306 1.770 1.00 0.70 O ATOM 374 CB LYS A 44 10.006 12.318 2.602 1.00 0.76 C ATOM 375 CG LYS A 44 11.036 11.921 3.644 1.00 1.29 C ATOM 376 CD LYS A 44 12.352 11.510 3.009 1.00 1.69 C ATOM 377 CE LYS A 44 13.360 11.077 4.061 1.00 2.09 C ATOM 378 NZ LYS A 44 14.644 10.638 3.455 1.00 2.20 N ATOM 0 H LYS A 44 8.619 10.577 3.669 1.00 0.58 H new ATOM 0 HA LYS A 44 8.732 13.402 3.950 1.00 0.66 H new ATOM 0 HB2 LYS A 44 9.910 11.515 1.871 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.363 13.197 2.065 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.206 12.756 4.324 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.648 11.097 4.242 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.181 10.693 2.308 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.757 12.343 2.435 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.547 11.904 4.746 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.941 10.262 4.651 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 15.303 10.351 4.207 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.471 9.832 2.821 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 15.058 11.423 2.913 1.00 2.20 H new ATOM 392 N ALA A 45 6.866 12.222 1.581 1.00 0.67 N ATOM 393 CA ALA A 45 5.892 12.580 0.558 1.00 0.74 C ATOM 394 C ALA A 45 4.523 12.862 1.176 1.00 0.73 C ATOM 395 O ALA A 45 3.551 13.125 0.466 1.00 0.81 O ATOM 396 CB ALA A 45 5.796 11.476 -0.484 1.00 0.82 C ATOM 0 H ALA A 45 6.859 11.236 1.843 1.00 0.67 H new ATOM 0 HA ALA A 45 6.229 13.494 0.069 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.065 11.755 -1.243 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.770 11.333 -0.953 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.484 10.548 -0.004 1.00 0.82 H new ATOM 402 N ASN A 46 4.467 12.802 2.509 1.00 0.69 N ATOM 403 CA ASN A 46 3.246 13.080 3.273 1.00 0.72 C ATOM 404 C ASN A 46 2.133 12.092 2.939 1.00 0.67 C ATOM 405 O ASN A 46 0.959 12.458 2.879 1.00 0.84 O ATOM 406 CB ASN A 46 2.757 14.514 3.036 1.00 0.87 C ATOM 407 CG ASN A 46 3.705 15.558 3.592 1.00 1.46 C ATOM 408 OD1 ASN A 46 4.597 16.040 2.895 1.00 2.13 O ATOM 409 ND2 ASN A 46 3.520 15.911 4.852 1.00 2.13 N ATOM 0 H ASN A 46 5.269 12.559 3.091 1.00 0.69 H new ATOM 0 HA ASN A 46 3.501 12.965 4.327 1.00 0.72 H new ATOM 0 HB2 ASN A 46 2.631 14.678 1.966 1.00 0.87 H new ATOM 0 HB3 ASN A 46 1.776 14.639 3.495 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.129 16.608 5.281 1.00 2.13 H new ATOM 0 HD22 ASN A 46 2.768 15.487 5.395 1.00 2.13 H new ATOM 416 N LEU A 47 2.503 10.838 2.731 1.00 0.51 N ATOM 417 CA LEU A 47 1.532 9.801 2.415 1.00 0.51 C ATOM 418 C LEU A 47 1.173 9.014 3.671 1.00 0.46 C ATOM 419 O LEU A 47 1.798 9.184 4.720 1.00 0.56 O ATOM 420 CB LEU A 47 2.090 8.847 1.356 1.00 0.58 C ATOM 421 CG LEU A 47 2.710 9.511 0.123 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.193 8.458 -0.859 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.722 10.454 -0.547 1.00 1.18 C ATOM 0 H LEU A 47 3.469 10.513 2.775 1.00 0.51 H new ATOM 0 HA LEU A 47 0.636 10.281 2.022 1.00 0.51 H new ATOM 0 HB2 LEU A 47 2.845 8.216 1.824 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.286 8.190 1.026 1.00 0.58 H new ATOM 0 HG LEU A 47 3.566 10.101 0.451 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.631 8.946 -1.730 1.00 1.00 H new ATOM 0 HD12 LEU A 47 3.944 7.830 -0.379 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.351 7.841 -1.174 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.189 10.911 -1.419 1.00 1.18 H new ATOM 0 HD22 LEU A 47 0.840 9.895 -0.859 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.428 11.233 0.157 1.00 1.18 H new ATOM 435 N TYR A 48 0.171 8.153 3.559 1.00 0.49 N ATOM 436 CA TYR A 48 -0.238 7.301 4.669 1.00 0.54 C ATOM 437 C TYR A 48 -0.139 5.839 4.261 1.00 0.46 C ATOM 438 O TYR A 48 -0.770 5.428 3.290 1.00 0.58 O ATOM 439 CB TYR A 48 -1.680 7.611 5.100 1.00 0.64 C ATOM 440 CG TYR A 48 -1.900 9.035 5.560 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.213 10.040 4.652 1.00 1.51 C ATOM 442 CD2 TYR A 48 -1.802 9.370 6.903 1.00 1.31 C ATOM 443 CE1 TYR A 48 -2.423 11.338 5.072 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.010 10.667 7.330 1.00 1.43 C ATOM 445 CZ TYR A 48 -2.319 11.646 6.411 1.00 1.09 C ATOM 446 OH TYR A 48 -2.531 12.939 6.834 1.00 1.28 O ATOM 0 H TYR A 48 -0.376 8.025 2.708 1.00 0.49 H new ATOM 0 HA TYR A 48 0.427 7.497 5.510 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.349 7.404 4.265 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.959 6.934 5.907 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.293 9.802 3.602 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -1.559 8.605 7.626 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -2.667 12.108 4.355 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -1.931 10.912 8.379 1.00 1.43 H new ATOM 0 HH TYR A 48 -2.421 12.987 7.807 1.00 1.28 H new ATOM 456 N LEU A 49 0.659 5.058 4.982 1.00 0.46 N ATOM 457 CA LEU A 49 0.737 3.626 4.725 1.00 0.46 C ATOM 458 C LEU A 49 0.433 2.817 5.975 1.00 0.50 C ATOM 459 O LEU A 49 0.726 3.237 7.094 1.00 0.61 O ATOM 460 CB LEU A 49 2.090 3.204 4.117 1.00 0.66 C ATOM 461 CG LEU A 49 3.369 3.849 4.683 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.580 3.507 6.151 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.575 3.397 3.869 1.00 1.35 C ATOM 0 H LEU A 49 1.255 5.389 5.741 1.00 0.46 H new ATOM 0 HA LEU A 49 -0.030 3.409 3.982 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.184 2.124 4.228 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.055 3.413 3.048 1.00 0.66 H new ATOM 0 HG LEU A 49 3.254 4.931 4.611 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.493 3.983 6.508 1.00 1.76 H new ATOM 0 HD12 LEU A 49 2.732 3.866 6.734 1.00 1.76 H new ATOM 0 HD13 LEU A 49 3.666 2.426 6.264 1.00 1.76 H new ATOM 0 HD21 LEU A 49 5.478 3.855 4.272 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.664 2.312 3.922 1.00 1.35 H new ATOM 0 HD23 LEU A 49 4.447 3.700 2.830 1.00 1.35 H new ATOM 475 N LEU A 50 -0.183 1.665 5.768 1.00 0.52 N ATOM 476 CA LEU A 50 -0.500 0.750 6.850 1.00 0.63 C ATOM 477 C LEU A 50 -0.056 -0.653 6.459 1.00 0.69 C ATOM 478 O LEU A 50 -0.138 -1.022 5.286 1.00 0.69 O ATOM 479 CB LEU A 50 -2.003 0.774 7.157 1.00 0.77 C ATOM 480 CG LEU A 50 -2.582 2.159 7.473 1.00 0.81 C ATOM 481 CD1 LEU A 50 -3.050 2.859 6.206 1.00 1.24 C ATOM 482 CD2 LEU A 50 -3.715 2.052 8.475 1.00 1.48 C ATOM 0 H LEU A 50 -0.477 1.339 4.847 1.00 0.52 H new ATOM 0 HA LEU A 50 0.028 1.060 7.752 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.539 0.360 6.303 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.195 0.115 8.004 1.00 0.77 H new ATOM 0 HG LEU A 50 -1.788 2.760 7.916 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.456 3.838 6.460 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -2.208 2.981 5.525 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.823 2.260 5.724 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.111 3.046 8.684 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.507 1.426 8.064 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -3.343 1.607 9.398 1.00 1.48 H new ATOM 494 N THR A 51 0.433 -1.431 7.414 1.00 0.85 N ATOM 495 CA THR A 51 0.916 -2.765 7.100 1.00 1.00 C ATOM 496 C THR A 51 0.235 -3.829 7.962 1.00 1.38 C ATOM 497 O THR A 51 0.610 -4.074 9.109 1.00 2.04 O ATOM 498 CB THR A 51 2.460 -2.858 7.231 1.00 1.42 C ATOM 499 OG1 THR A 51 2.902 -4.211 7.038 1.00 1.86 O ATOM 500 CG2 THR A 51 2.944 -2.343 8.582 1.00 2.07 C ATOM 0 H THR A 51 0.505 -1.166 8.396 1.00 0.85 H new ATOM 0 HA THR A 51 0.655 -2.960 6.060 1.00 1.00 H new ATOM 0 HB THR A 51 2.890 -2.225 6.455 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.545 -4.554 6.193 1.00 1.86 H new ATOM 0 HG21 THR A 51 4.030 -2.425 8.635 1.00 2.07 H new ATOM 0 HG22 THR A 51 2.653 -1.299 8.699 1.00 2.07 H new ATOM 0 HG23 THR A 51 2.496 -2.936 9.379 1.00 2.07 H new ATOM 508 N LEU A 52 -0.790 -4.441 7.386 1.00 1.17 N ATOM 509 CA LEU A 52 -1.508 -5.549 8.010 1.00 1.66 C ATOM 510 C LEU A 52 -2.502 -6.116 6.999 1.00 1.10 C ATOM 511 O LEU A 52 -2.575 -5.620 5.877 1.00 1.25 O ATOM 512 CB LEU A 52 -2.179 -5.140 9.364 1.00 2.63 C ATOM 513 CG LEU A 52 -3.292 -4.063 9.363 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.878 -2.799 8.625 1.00 3.41 C ATOM 515 CD2 LEU A 52 -4.591 -4.612 8.810 1.00 3.43 C ATOM 0 H LEU A 52 -1.151 -4.183 6.467 1.00 1.17 H new ATOM 0 HA LEU A 52 -0.799 -6.331 8.281 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -2.597 -6.043 9.808 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -1.389 -4.794 10.030 1.00 2.63 H new ATOM 0 HG LEU A 52 -3.455 -3.785 10.404 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -3.694 -2.077 8.654 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.997 -2.371 9.103 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -2.646 -3.043 7.588 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -5.351 -3.831 8.823 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.436 -4.950 7.785 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -4.922 -5.451 9.423 1.00 3.43 H new ATOM 527 N GLU A 53 -3.255 -7.144 7.383 1.00 1.35 N ATOM 528 CA GLU A 53 -4.152 -7.818 6.445 1.00 1.60 C ATOM 529 C GLU A 53 -5.322 -6.910 6.035 1.00 1.84 C ATOM 530 O GLU A 53 -5.273 -6.273 4.984 1.00 2.34 O ATOM 531 CB GLU A 53 -4.675 -9.148 7.014 1.00 2.04 C ATOM 532 CG GLU A 53 -3.586 -10.159 7.358 1.00 2.24 C ATOM 533 CD GLU A 53 -2.745 -9.758 8.553 1.00 2.43 C ATOM 534 OE1 GLU A 53 -1.505 -9.698 8.424 1.00 2.97 O ATOM 535 OE2 GLU A 53 -3.323 -9.491 9.627 1.00 2.75 O ATOM 0 H GLU A 53 -3.263 -7.527 8.328 1.00 1.35 H new ATOM 0 HA GLU A 53 -3.567 -8.042 5.553 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -5.258 -8.941 7.912 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -5.354 -9.597 6.289 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -4.049 -11.126 7.557 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -2.936 -10.289 6.493 1.00 2.24 H new ATOM 542 N THR A 54 -6.377 -6.841 6.843 1.00 1.76 N ATOM 543 CA THR A 54 -7.511 -5.999 6.493 1.00 1.96 C ATOM 544 C THR A 54 -7.644 -4.820 7.453 1.00 1.44 C ATOM 545 O THR A 54 -8.105 -4.971 8.586 1.00 1.41 O ATOM 546 CB THR A 54 -8.819 -6.821 6.487 1.00 2.58 C ATOM 547 OG1 THR A 54 -8.943 -7.574 7.703 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.853 -7.770 5.301 1.00 3.30 C ATOM 0 H THR A 54 -6.468 -7.346 7.724 1.00 1.76 H new ATOM 0 HA THR A 54 -7.332 -5.608 5.491 1.00 1.96 H new ATOM 0 HB THR A 54 -9.653 -6.124 6.408 1.00 2.58 H new ATOM 0 HG1 THR A 54 -8.727 -6.999 8.467 1.00 2.85 H new ATOM 0 HG21 THR A 54 -9.783 -8.339 5.317 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.793 -7.198 4.375 1.00 3.30 H new ATOM 0 HG23 THR A 54 -8.007 -8.455 5.359 1.00 3.30 H new ATOM 556 N ASP A 55 -7.223 -3.648 6.994 1.00 1.58 N ATOM 557 CA ASP A 55 -7.346 -2.419 7.780 1.00 1.57 C ATOM 558 C ASP A 55 -8.579 -1.622 7.374 1.00 1.40 C ATOM 559 O ASP A 55 -8.914 -0.630 8.011 1.00 1.25 O ATOM 560 CB ASP A 55 -6.096 -1.546 7.654 1.00 2.38 C ATOM 561 CG ASP A 55 -5.968 -0.559 8.804 1.00 3.04 C ATOM 562 OD1 ASP A 55 -6.532 0.548 8.716 1.00 3.66 O ATOM 563 OD2 ASP A 55 -5.306 -0.897 9.811 1.00 3.51 O ATOM 0 H ASP A 55 -6.792 -3.519 6.079 1.00 1.58 H new ATOM 0 HA ASP A 55 -7.454 -2.718 8.823 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -5.212 -2.182 7.623 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -6.129 -1.001 6.711 1.00 2.38 H new ATOM 568 N ASP A 56 -9.230 -2.073 6.291 1.00 1.62 N ATOM 569 CA ASP A 56 -10.247 -1.291 5.556 1.00 1.72 C ATOM 570 C ASP A 56 -11.211 -0.512 6.457 1.00 1.47 C ATOM 571 O ASP A 56 -11.697 0.541 6.059 1.00 1.48 O ATOM 572 CB ASP A 56 -11.050 -2.197 4.607 1.00 2.15 C ATOM 573 CG ASP A 56 -12.304 -2.772 5.239 1.00 2.43 C ATOM 574 OD1 ASP A 56 -13.387 -2.166 5.082 1.00 2.98 O ATOM 575 OD2 ASP A 56 -12.218 -3.838 5.880 1.00 2.88 O ATOM 0 H ASP A 56 -9.067 -2.998 5.894 1.00 1.62 H new ATOM 0 HA ASP A 56 -9.684 -0.551 4.987 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -11.328 -1.627 3.721 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -10.413 -3.016 4.272 1.00 2.15 H new ATOM 580 N LYS A 57 -11.498 -1.025 7.649 1.00 1.39 N ATOM 581 CA LYS A 57 -12.344 -0.314 8.600 1.00 1.42 C ATOM 582 C LYS A 57 -11.774 1.081 8.885 1.00 1.20 C ATOM 583 O LYS A 57 -12.438 2.098 8.675 1.00 1.27 O ATOM 584 CB LYS A 57 -12.458 -1.116 9.902 1.00 1.57 C ATOM 585 CG LYS A 57 -13.428 -0.524 10.913 1.00 1.98 C ATOM 586 CD LYS A 57 -14.851 -0.517 10.380 1.00 2.71 C ATOM 587 CE LYS A 57 -15.829 0.045 11.398 1.00 3.40 C ATOM 588 NZ LYS A 57 -15.898 -0.789 12.628 1.00 4.03 N ATOM 0 H LYS A 57 -11.158 -1.928 7.979 1.00 1.39 H new ATOM 0 HA LYS A 57 -13.338 -0.200 8.167 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -12.773 -2.132 9.664 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -11.471 -1.187 10.360 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -13.387 -1.099 11.838 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -13.125 0.494 11.157 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -14.895 0.077 9.467 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -15.145 -1.532 10.114 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -15.531 1.059 11.664 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -16.820 0.111 10.949 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -16.712 -0.493 13.203 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -16.006 -1.789 12.364 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -15.024 -0.669 13.178 1.00 4.03 H new ATOM 602 N LYS A 58 -10.525 1.120 9.319 1.00 1.07 N ATOM 603 CA LYS A 58 -9.867 2.373 9.661 1.00 1.04 C ATOM 604 C LYS A 58 -9.434 3.115 8.403 1.00 0.88 C ATOM 605 O LYS A 58 -9.509 4.342 8.344 1.00 0.87 O ATOM 606 CB LYS A 58 -8.660 2.102 10.556 1.00 1.18 C ATOM 607 CG LYS A 58 -9.021 1.556 11.928 1.00 1.64 C ATOM 608 CD LYS A 58 -9.584 2.637 12.837 1.00 2.25 C ATOM 609 CE LYS A 58 -8.508 3.628 13.256 1.00 2.61 C ATOM 610 NZ LYS A 58 -9.030 4.647 14.201 1.00 2.99 N ATOM 0 H LYS A 58 -9.942 0.293 9.444 1.00 1.07 H new ATOM 0 HA LYS A 58 -10.576 3.000 10.201 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -8.001 1.393 10.055 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -8.097 3.027 10.680 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -9.753 0.755 11.819 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -8.136 1.118 12.389 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -10.386 3.165 12.322 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -10.022 2.177 13.723 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -7.682 3.091 13.722 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -8.108 4.124 12.372 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -8.266 5.303 14.462 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -9.802 5.177 13.748 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -9.389 4.176 15.056 1.00 2.99 H new ATOM 624 N ILE A 59 -8.986 2.364 7.403 1.00 0.83 N ATOM 625 CA ILE A 59 -8.587 2.937 6.118 1.00 0.80 C ATOM 626 C ILE A 59 -9.740 3.714 5.471 1.00 0.74 C ATOM 627 O ILE A 59 -9.525 4.783 4.889 1.00 0.78 O ATOM 628 CB ILE A 59 -8.064 1.835 5.154 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.573 1.556 5.397 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.307 2.204 3.695 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.037 0.389 4.595 1.00 1.33 C ATOM 0 H ILE A 59 -8.889 1.350 7.456 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.775 3.638 6.311 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.626 0.925 5.366 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.000 2.450 5.150 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.417 1.360 6.458 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -7.928 1.410 3.051 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.376 2.330 3.525 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.790 3.136 3.464 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -4.979 0.250 4.817 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -6.585 -0.516 4.859 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.161 0.591 3.531 1.00 1.33 H new ATOM 643 N GLU A 60 -10.956 3.192 5.594 1.00 0.77 N ATOM 644 CA GLU A 60 -12.133 3.846 5.029 1.00 0.87 C ATOM 645 C GLU A 60 -12.360 5.199 5.700 1.00 0.85 C ATOM 646 O GLU A 60 -12.810 6.157 5.066 1.00 0.94 O ATOM 647 CB GLU A 60 -13.363 2.947 5.193 1.00 1.04 C ATOM 648 CG GLU A 60 -14.582 3.406 4.408 1.00 1.32 C ATOM 649 CD GLU A 60 -15.712 2.400 4.460 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.712 1.455 3.641 1.00 1.96 O ATOM 651 OE2 GLU A 60 -16.602 2.538 5.324 1.00 2.01 O ATOM 0 H GLU A 60 -11.153 2.317 6.080 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.967 4.015 3.965 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -13.104 1.936 4.880 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.624 2.897 6.250 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.929 4.360 4.806 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.299 3.578 3.369 1.00 1.32 H new ATOM 658 N ASP A 61 -12.028 5.273 6.982 1.00 0.82 N ATOM 659 CA ASP A 61 -12.112 6.525 7.727 1.00 0.88 C ATOM 660 C ASP A 61 -10.958 7.457 7.353 1.00 0.79 C ATOM 661 O ASP A 61 -11.122 8.677 7.295 1.00 0.83 O ATOM 662 CB ASP A 61 -12.100 6.252 9.232 1.00 0.99 C ATOM 663 CG ASP A 61 -12.000 7.521 10.052 1.00 1.55 C ATOM 664 OD1 ASP A 61 -13.010 8.250 10.161 1.00 2.27 O ATOM 665 OD2 ASP A 61 -10.911 7.792 10.602 1.00 2.05 O ATOM 0 H ASP A 61 -11.697 4.479 7.530 1.00 0.82 H new ATOM 0 HA ASP A 61 -13.050 7.014 7.465 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -13.008 5.716 9.508 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -11.260 5.601 9.473 1.00 0.99 H new ATOM 670 N ILE A 62 -9.790 6.876 7.099 1.00 0.72 N ATOM 671 CA ILE A 62 -8.619 7.651 6.701 1.00 0.69 C ATOM 672 C ILE A 62 -8.872 8.364 5.375 1.00 0.68 C ATOM 673 O ILE A 62 -8.705 9.579 5.280 1.00 0.73 O ATOM 674 CB ILE A 62 -7.355 6.766 6.597 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.971 6.237 7.983 1.00 0.81 C ATOM 676 CG2 ILE A 62 -6.194 7.545 5.985 1.00 0.77 C ATOM 677 CD1 ILE A 62 -5.816 5.258 7.967 1.00 0.93 C ATOM 0 H ILE A 62 -9.629 5.871 7.162 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.443 8.396 7.477 1.00 0.69 H new ATOM 0 HB ILE A 62 -7.577 5.922 5.944 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.711 7.080 8.624 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -7.839 5.752 8.430 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -5.317 6.901 5.922 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.469 7.882 4.986 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.966 8.409 6.609 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -5.604 4.929 8.984 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -6.078 4.396 7.354 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.933 5.744 7.551 1.00 0.93 H new ATOM 689 N LEU A 63 -9.293 7.611 4.361 1.00 0.68 N ATOM 690 CA LEU A 63 -9.660 8.195 3.069 1.00 0.76 C ATOM 691 C LEU A 63 -10.712 9.291 3.233 1.00 0.84 C ATOM 692 O LEU A 63 -10.674 10.308 2.540 1.00 0.94 O ATOM 693 CB LEU A 63 -10.190 7.121 2.110 1.00 0.85 C ATOM 694 CG LEU A 63 -9.142 6.136 1.572 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.796 4.975 0.830 1.00 1.57 C ATOM 696 CD2 LEU A 63 -8.162 6.849 0.654 1.00 1.89 C ATOM 0 H LEU A 63 -9.389 6.597 4.407 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.756 8.635 2.648 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -10.967 6.553 2.622 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.664 7.617 1.263 1.00 0.85 H new ATOM 0 HG LEU A 63 -8.602 5.732 2.428 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -9.025 4.297 0.463 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.459 4.437 1.508 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.372 5.359 -0.012 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -7.427 6.135 0.282 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -8.702 7.285 -0.187 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -7.654 7.639 1.207 1.00 1.89 H new ATOM 708 N LYS A 64 -11.639 9.083 4.162 1.00 0.89 N ATOM 709 CA LYS A 64 -12.689 10.059 4.428 1.00 1.05 C ATOM 710 C LYS A 64 -12.102 11.352 4.998 1.00 1.03 C ATOM 711 O LYS A 64 -12.686 12.426 4.862 1.00 1.13 O ATOM 712 CB LYS A 64 -13.722 9.474 5.398 1.00 1.22 C ATOM 713 CG LYS A 64 -14.902 10.395 5.660 1.00 1.64 C ATOM 714 CD LYS A 64 -15.944 9.742 6.551 1.00 2.17 C ATOM 715 CE LYS A 64 -17.114 10.679 6.793 1.00 2.87 C ATOM 716 NZ LYS A 64 -18.190 10.039 7.591 1.00 3.41 N ATOM 0 H LYS A 64 -11.684 8.246 4.744 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.182 10.295 3.485 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -14.091 8.530 4.997 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.231 9.248 6.345 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.548 11.314 6.128 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -15.360 10.676 4.712 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -16.300 8.822 6.087 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -15.492 9.465 7.503 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -16.762 11.571 7.311 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -17.520 11.006 5.835 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -18.967 10.715 7.731 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -18.546 9.202 7.086 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -17.811 9.750 8.516 1.00 3.41 H new ATOM 730 N SER A 65 -10.938 11.243 5.618 1.00 0.97 N ATOM 731 CA SER A 65 -10.290 12.390 6.236 1.00 1.06 C ATOM 732 C SER A 65 -9.485 13.191 5.213 1.00 1.03 C ATOM 733 O SER A 65 -9.286 14.395 5.376 1.00 1.13 O ATOM 734 CB SER A 65 -9.386 11.924 7.376 1.00 1.18 C ATOM 735 OG SER A 65 -10.112 11.126 8.301 1.00 1.65 O ATOM 0 H SER A 65 -10.420 10.369 5.707 1.00 0.97 H new ATOM 0 HA SER A 65 -11.064 13.045 6.636 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.550 11.352 6.973 1.00 1.18 H new ATOM 0 HB3 SER A 65 -8.963 12.789 7.888 1.00 1.18 H new ATOM 0 HG SER A 65 -10.363 10.279 7.876 1.00 1.65 H new ATOM 741 N LEU A 66 -9.026 12.523 4.157 1.00 0.97 N ATOM 742 CA LEU A 66 -8.256 13.194 3.112 1.00 1.05 C ATOM 743 C LEU A 66 -9.129 14.157 2.312 1.00 1.20 C ATOM 744 O LEU A 66 -8.702 15.267 1.994 1.00 1.55 O ATOM 745 CB LEU A 66 -7.608 12.180 2.160 1.00 1.00 C ATOM 746 CG LEU A 66 -6.216 11.655 2.554 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.227 12.800 2.720 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.281 10.818 3.821 1.00 1.38 C ATOM 0 H LEU A 66 -9.172 11.525 4.003 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.470 13.762 3.611 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.279 11.326 2.064 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.532 12.639 1.174 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.865 11.015 1.744 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.252 12.401 2.998 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -5.141 13.346 1.780 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -5.579 13.475 3.500 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.282 10.462 4.073 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.667 11.426 4.639 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -6.941 9.965 3.660 1.00 1.38 H new ATOM 760 N GLY A 67 -10.351 13.735 2.003 1.00 1.07 N ATOM 761 CA GLY A 67 -11.269 14.583 1.262 1.00 1.26 C ATOM 762 C GLY A 67 -11.283 14.259 -0.223 1.00 1.22 C ATOM 763 O GLY A 67 -11.969 13.323 -0.640 1.00 1.28 O ATOM 0 H GLY A 67 -10.723 12.819 2.253 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.274 14.467 1.666 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -10.988 15.627 1.401 1.00 1.26 H new ATOM 767 N PRO A 68 -10.546 15.038 -1.042 1.00 1.24 N ATOM 768 CA PRO A 68 -10.395 14.797 -2.490 1.00 1.29 C ATOM 769 C PRO A 68 -10.070 13.339 -2.836 1.00 1.15 C ATOM 770 O PRO A 68 -9.617 12.572 -1.983 1.00 0.99 O ATOM 771 CB PRO A 68 -9.210 15.692 -2.852 1.00 1.41 C ATOM 772 CG PRO A 68 -9.303 16.832 -1.905 1.00 1.56 C ATOM 773 CD PRO A 68 -9.818 16.251 -0.617 1.00 1.35 C ATOM 0 HA PRO A 68 -11.318 15.008 -3.031 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -8.264 15.162 -2.743 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -9.269 16.030 -3.887 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -8.330 17.302 -1.761 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -9.976 17.602 -2.284 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -9.004 16.010 0.066 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -10.474 16.949 -0.097 1.00 1.35 H new ATOM 781 N PRO A 69 -10.296 12.945 -4.104 1.00 1.30 N ATOM 782 CA PRO A 69 -10.045 11.578 -4.573 1.00 1.26 C ATOM 783 C PRO A 69 -8.593 11.165 -4.373 1.00 1.05 C ATOM 784 O PRO A 69 -7.678 11.749 -4.958 1.00 1.17 O ATOM 785 CB PRO A 69 -10.391 11.626 -6.066 1.00 1.53 C ATOM 786 CG PRO A 69 -10.382 13.072 -6.424 1.00 1.89 C ATOM 787 CD PRO A 69 -10.807 13.802 -5.185 1.00 1.58 C ATOM 0 HA PRO A 69 -10.634 10.846 -4.020 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -9.663 11.070 -6.657 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -11.366 11.179 -6.259 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -9.390 13.389 -6.744 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -11.063 13.275 -7.250 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -10.381 14.804 -5.141 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -11.890 13.914 -5.134 1.00 1.58 H new ATOM 795 N VAL A 70 -8.389 10.171 -3.531 1.00 0.85 N ATOM 796 CA VAL A 70 -7.055 9.705 -3.203 1.00 0.67 C ATOM 797 C VAL A 70 -6.695 8.480 -4.033 1.00 0.60 C ATOM 798 O VAL A 70 -7.516 7.580 -4.209 1.00 0.66 O ATOM 799 CB VAL A 70 -6.953 9.369 -1.701 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.569 8.860 -1.339 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.303 10.586 -0.864 1.00 1.08 C ATOM 0 H VAL A 70 -9.138 9.666 -3.057 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.351 10.505 -3.434 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.667 8.574 -1.487 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.532 8.633 -0.274 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.352 7.957 -1.910 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -4.828 9.624 -1.573 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.227 10.334 0.194 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -6.612 11.397 -1.095 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.322 10.902 -1.089 1.00 1.08 H new ATOM 811 N LYS A 71 -5.472 8.453 -4.540 1.00 0.55 N ATOM 812 CA LYS A 71 -5.006 7.334 -5.349 1.00 0.54 C ATOM 813 C LYS A 71 -4.240 6.351 -4.472 1.00 0.43 C ATOM 814 O LYS A 71 -3.360 6.743 -3.703 1.00 0.41 O ATOM 815 CB LYS A 71 -4.149 7.839 -6.520 1.00 0.65 C ATOM 816 CG LYS A 71 -3.418 6.740 -7.292 1.00 1.27 C ATOM 817 CD LYS A 71 -2.825 7.254 -8.604 1.00 1.74 C ATOM 818 CE LYS A 71 -2.021 8.530 -8.401 1.00 2.14 C ATOM 819 NZ LYS A 71 -1.637 9.156 -9.692 1.00 2.53 N ATOM 0 H LYS A 71 -4.783 9.193 -4.406 1.00 0.55 H new ATOM 0 HA LYS A 71 -5.863 6.812 -5.775 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -4.789 8.387 -7.212 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.414 8.547 -6.137 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -2.621 6.330 -6.671 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -4.110 5.924 -7.503 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -2.185 6.486 -9.038 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -3.628 7.440 -9.317 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -2.606 9.238 -7.815 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -1.123 8.305 -7.826 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -1.273 10.115 -9.518 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -0.899 8.584 -10.149 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -2.469 9.209 -10.313 1.00 2.53 H new ATOM 833 N ILE A 72 -4.591 5.079 -4.573 1.00 0.45 N ATOM 834 CA ILE A 72 -4.051 4.066 -3.676 1.00 0.43 C ATOM 835 C ILE A 72 -2.933 3.261 -4.330 1.00 0.41 C ATOM 836 O ILE A 72 -3.071 2.771 -5.453 1.00 0.50 O ATOM 837 CB ILE A 72 -5.162 3.110 -3.191 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.242 3.903 -2.452 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.586 2.020 -2.293 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.369 3.047 -1.922 1.00 1.00 C ATOM 0 H ILE A 72 -5.248 4.722 -5.267 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.632 4.595 -2.820 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.610 2.626 -4.059 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.783 4.438 -1.621 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.654 4.654 -3.126 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.387 1.359 -1.964 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.846 1.444 -2.849 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.113 2.477 -1.424 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.096 3.678 -1.411 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.855 2.532 -2.750 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.970 2.313 -1.222 1.00 1.00 H new ATOM 852 N LEU A 73 -1.829 3.132 -3.613 1.00 0.37 N ATOM 853 CA LEU A 73 -0.712 2.315 -4.048 1.00 0.37 C ATOM 854 C LEU A 73 -0.492 1.181 -3.053 1.00 0.37 C ATOM 855 O LEU A 73 -0.470 1.402 -1.845 1.00 0.46 O ATOM 856 CB LEU A 73 0.558 3.163 -4.187 1.00 0.43 C ATOM 857 CG LEU A 73 1.843 2.378 -4.454 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.777 1.691 -5.806 1.00 1.06 C ATOM 859 CD2 LEU A 73 3.055 3.291 -4.371 1.00 1.22 C ATOM 0 H LEU A 73 -1.683 3.591 -2.714 1.00 0.37 H new ATOM 0 HA LEU A 73 -0.942 1.892 -5.026 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.412 3.876 -4.999 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.689 3.743 -3.274 1.00 0.43 H new ATOM 0 HG LEU A 73 1.943 1.610 -3.687 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.700 1.138 -5.978 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.932 1.002 -5.823 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.651 2.439 -6.589 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.959 2.714 -4.564 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.965 4.084 -5.114 1.00 1.22 H new ATOM 0 HD23 LEU A 73 3.111 3.731 -3.376 1.00 1.22 H new ATOM 871 N VAL A 74 -0.348 -0.030 -3.562 1.00 0.40 N ATOM 872 CA VAL A 74 -0.183 -1.197 -2.710 1.00 0.40 C ATOM 873 C VAL A 74 1.164 -1.865 -2.963 1.00 0.39 C ATOM 874 O VAL A 74 1.662 -1.880 -4.093 1.00 0.47 O ATOM 875 CB VAL A 74 -1.333 -2.205 -2.937 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.117 -3.497 -2.159 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.657 -1.574 -2.555 1.00 1.16 C ATOM 0 H VAL A 74 -0.342 -0.232 -4.562 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.213 -0.865 -1.672 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.347 -2.462 -3.996 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -1.947 -4.178 -2.346 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.186 -3.964 -2.480 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.063 -3.275 -1.093 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.462 -2.291 -2.718 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.634 -1.287 -1.504 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -2.829 -0.690 -3.168 1.00 1.16 H new ATOM 887 N LEU A 75 1.754 -2.397 -1.903 1.00 0.38 N ATOM 888 CA LEU A 75 3.034 -3.079 -1.995 1.00 0.38 C ATOM 889 C LEU A 75 2.932 -4.412 -1.259 1.00 0.35 C ATOM 890 O LEU A 75 2.778 -4.455 -0.038 1.00 0.43 O ATOM 891 CB LEU A 75 4.154 -2.184 -1.418 1.00 0.48 C ATOM 892 CG LEU A 75 5.608 -2.658 -1.616 1.00 0.80 C ATOM 893 CD1 LEU A 75 6.564 -1.527 -1.284 1.00 1.67 C ATOM 894 CD2 LEU A 75 5.953 -3.881 -0.767 1.00 1.65 C ATOM 0 H LEU A 75 1.362 -2.368 -0.962 1.00 0.38 H new ATOM 0 HA LEU A 75 3.287 -3.277 -3.037 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.058 -1.194 -1.863 1.00 0.48 H new ATOM 0 HB3 LEU A 75 3.978 -2.071 -0.348 1.00 0.48 H new ATOM 0 HG LEU A 75 5.709 -2.950 -2.661 1.00 0.80 H new ATOM 0 HD11 LEU A 75 7.591 -1.865 -1.425 1.00 1.67 H new ATOM 0 HD12 LEU A 75 6.368 -0.680 -1.941 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.421 -1.223 -0.247 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.989 -4.169 -0.948 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.822 -3.640 0.288 1.00 1.65 H new ATOM 0 HD23 LEU A 75 5.294 -4.707 -1.035 1.00 1.65 H new ATOM 906 N LEU A 76 2.990 -5.491 -2.015 1.00 0.34 N ATOM 907 CA LEU A 76 2.829 -6.825 -1.467 1.00 0.42 C ATOM 908 C LEU A 76 4.105 -7.633 -1.677 1.00 0.41 C ATOM 909 O LEU A 76 4.779 -7.477 -2.692 1.00 0.48 O ATOM 910 CB LEU A 76 1.645 -7.509 -2.163 1.00 0.55 C ATOM 911 CG LEU A 76 1.185 -8.836 -1.560 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.624 -8.617 -0.167 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.146 -9.490 -2.456 1.00 1.76 C ATOM 0 H LEU A 76 3.149 -5.469 -3.022 1.00 0.34 H new ATOM 0 HA LEU A 76 2.634 -6.763 -0.396 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.801 -6.820 -2.160 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.913 -7.680 -3.206 1.00 0.55 H new ATOM 0 HG LEU A 76 2.045 -9.502 -1.484 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.301 -9.571 0.249 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.394 -8.185 0.472 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.227 -7.937 -0.220 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.173 -10.434 -2.014 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.714 -8.829 -2.558 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.579 -9.677 -3.439 1.00 1.76 H new ATOM 925 N GLU A 77 4.446 -8.473 -0.715 1.00 0.46 N ATOM 926 CA GLU A 77 5.572 -9.383 -0.869 1.00 0.49 C ATOM 927 C GLU A 77 5.065 -10.711 -1.401 1.00 0.49 C ATOM 928 O GLU A 77 4.120 -11.272 -0.848 1.00 0.59 O ATOM 929 CB GLU A 77 6.285 -9.603 0.467 1.00 0.61 C ATOM 930 CG GLU A 77 7.492 -10.523 0.365 1.00 0.63 C ATOM 931 CD GLU A 77 8.117 -10.842 1.710 1.00 1.04 C ATOM 932 OE1 GLU A 77 7.601 -10.374 2.744 1.00 1.71 O ATOM 933 OE2 GLU A 77 9.122 -11.583 1.733 1.00 1.74 O ATOM 0 H GLU A 77 3.962 -8.545 0.180 1.00 0.46 H new ATOM 0 HA GLU A 77 6.285 -8.945 -1.568 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.605 -8.639 0.862 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.578 -10.022 1.183 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.192 -11.453 -0.118 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.242 -10.058 -0.275 1.00 0.63 H new ATOM 940 N ASP A 78 5.678 -11.221 -2.464 1.00 0.54 N ATOM 941 CA ASP A 78 5.213 -12.468 -3.058 1.00 0.61 C ATOM 942 C ASP A 78 5.580 -13.653 -2.173 1.00 0.63 C ATOM 943 O ASP A 78 6.636 -14.271 -2.323 1.00 0.72 O ATOM 944 CB ASP A 78 5.786 -12.660 -4.463 1.00 0.77 C ATOM 945 CG ASP A 78 5.291 -13.940 -5.113 1.00 1.06 C ATOM 946 OD1 ASP A 78 6.127 -14.806 -5.447 1.00 1.59 O ATOM 947 OD2 ASP A 78 4.065 -14.089 -5.287 1.00 1.85 O ATOM 0 H ASP A 78 6.484 -10.799 -2.925 1.00 0.54 H new ATOM 0 HA ASP A 78 4.127 -12.413 -3.139 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.511 -11.808 -5.085 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.875 -12.678 -4.410 1.00 0.77 H new ATOM 952 N THR A 79 4.708 -13.923 -1.221 1.00 0.61 N ATOM 953 CA THR A 79 4.792 -15.102 -0.385 1.00 0.72 C ATOM 954 C THR A 79 3.603 -16.014 -0.700 1.00 0.78 C ATOM 955 O THR A 79 2.734 -15.626 -1.480 1.00 0.84 O ATOM 956 CB THR A 79 4.780 -14.700 1.106 1.00 0.77 C ATOM 957 OG1 THR A 79 5.516 -13.481 1.281 1.00 1.04 O ATOM 958 CG2 THR A 79 5.398 -15.781 1.976 1.00 1.20 C ATOM 0 H THR A 79 3.913 -13.322 -1.005 1.00 0.61 H new ATOM 0 HA THR A 79 5.723 -15.632 -0.587 1.00 0.72 H new ATOM 0 HB THR A 79 3.742 -14.563 1.409 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.506 -13.226 2.227 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.374 -15.466 3.019 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.833 -16.706 1.863 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.431 -15.947 1.671 1.00 1.20 H new ATOM 966 N LYS A 80 3.545 -17.203 -0.121 1.00 0.84 N ATOM 967 CA LYS A 80 2.361 -18.048 -0.269 1.00 0.92 C ATOM 968 C LYS A 80 1.139 -17.339 0.317 1.00 0.88 C ATOM 969 O LYS A 80 0.032 -17.406 -0.230 1.00 0.90 O ATOM 970 CB LYS A 80 2.583 -19.395 0.421 1.00 1.09 C ATOM 971 CG LYS A 80 1.386 -20.330 0.359 1.00 1.65 C ATOM 972 CD LYS A 80 1.730 -21.717 0.881 1.00 2.05 C ATOM 973 CE LYS A 80 2.214 -21.675 2.323 1.00 3.00 C ATOM 974 NZ LYS A 80 2.685 -23.005 2.787 1.00 3.57 N ATOM 0 H LYS A 80 4.290 -17.604 0.449 1.00 0.84 H new ATOM 0 HA LYS A 80 2.184 -18.230 -1.329 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.440 -19.889 -0.037 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.838 -19.218 1.466 1.00 1.09 H new ATOM 0 HG2 LYS A 80 0.567 -19.913 0.945 1.00 1.65 H new ATOM 0 HG3 LYS A 80 1.035 -20.405 -0.670 1.00 1.65 H new ATOM 0 HD2 LYS A 80 0.852 -22.360 0.811 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.501 -22.161 0.252 1.00 2.05 H new ATOM 0 HE2 LYS A 80 3.024 -20.951 2.413 1.00 3.00 H new ATOM 0 HE3 LYS A 80 1.405 -21.331 2.968 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 3.006 -22.935 3.774 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 1.905 -23.690 2.725 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 3.474 -23.322 2.188 1.00 3.57 H new ATOM 988 N ASP A 81 1.366 -16.636 1.422 1.00 0.90 N ATOM 989 CA ASP A 81 0.320 -15.872 2.099 1.00 0.93 C ATOM 990 C ASP A 81 -0.167 -14.707 1.244 1.00 0.83 C ATOM 991 O ASP A 81 -1.292 -14.243 1.403 1.00 0.82 O ATOM 992 CB ASP A 81 0.835 -15.336 3.436 1.00 1.08 C ATOM 993 CG ASP A 81 1.202 -16.433 4.410 1.00 1.46 C ATOM 994 OD1 ASP A 81 2.363 -16.895 4.381 1.00 2.24 O ATOM 995 OD2 ASP A 81 0.334 -16.833 5.215 1.00 2.00 O ATOM 0 H ASP A 81 2.279 -16.579 1.874 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.518 -16.548 2.270 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.708 -14.709 3.258 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.072 -14.700 3.884 1.00 1.08 H new ATOM 1000 N ALA A 82 0.687 -14.237 0.342 1.00 0.82 N ATOM 1001 CA ALA A 82 0.367 -13.097 -0.510 1.00 0.82 C ATOM 1002 C ALA A 82 -0.881 -13.353 -1.344 1.00 0.82 C ATOM 1003 O ALA A 82 -1.674 -12.445 -1.573 1.00 0.84 O ATOM 1004 CB ALA A 82 1.535 -12.770 -1.419 1.00 0.97 C ATOM 0 H ALA A 82 1.614 -14.631 0.181 1.00 0.82 H new ATOM 0 HA ALA A 82 0.170 -12.247 0.143 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.279 -11.917 -2.048 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.409 -12.526 -0.815 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.758 -13.631 -2.049 1.00 0.97 H new ATOM 1010 N ASP A 83 -1.062 -14.596 -1.776 1.00 0.91 N ATOM 1011 CA ASP A 83 -2.215 -14.953 -2.591 1.00 1.03 C ATOM 1012 C ASP A 83 -3.478 -14.812 -1.764 1.00 0.98 C ATOM 1013 O ASP A 83 -4.525 -14.396 -2.259 1.00 1.03 O ATOM 1014 CB ASP A 83 -2.090 -16.384 -3.124 1.00 1.27 C ATOM 1015 CG ASP A 83 -3.364 -16.870 -3.789 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -4.164 -17.559 -3.123 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -3.574 -16.567 -4.983 1.00 2.33 O ATOM 0 H ASP A 83 -0.428 -15.369 -1.576 1.00 0.91 H new ATOM 0 HA ASP A 83 -2.261 -14.279 -3.447 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -1.270 -16.431 -3.840 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.835 -17.053 -2.302 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.337 -15.124 -0.486 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.428 -15.048 0.462 1.00 1.04 C ATOM 1024 C LYS A 84 -4.857 -13.600 0.655 1.00 0.94 C ATOM 1025 O LYS A 84 -6.026 -13.259 0.487 1.00 1.04 O ATOM 1026 CB LYS A 84 -3.984 -15.648 1.795 1.00 1.17 C ATOM 1027 CG LYS A 84 -3.502 -17.087 1.682 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.035 -17.641 3.022 1.00 2.01 C ATOM 1029 CE LYS A 84 -4.187 -17.798 4.006 1.00 2.47 C ATOM 1030 NZ LYS A 84 -5.246 -18.704 3.489 1.00 3.21 N ATOM 0 H LYS A 84 -2.456 -15.438 -0.079 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.278 -15.612 0.078 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.183 -15.037 2.211 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.816 -15.606 2.498 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -4.308 -17.710 1.294 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -2.684 -17.140 0.963 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -2.556 -18.608 2.868 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -2.283 -16.976 3.447 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -3.806 -18.188 4.950 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -4.619 -16.820 4.217 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -5.854 -19.011 4.275 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -5.820 -18.200 2.784 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -4.806 -19.536 3.046 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.890 -12.750 0.975 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.158 -11.341 1.234 1.00 0.77 C ATOM 1046 C VAL A 85 -4.634 -10.636 -0.039 1.00 0.68 C ATOM 1047 O VAL A 85 -5.541 -9.806 0.007 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.895 -10.613 1.780 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.257 -9.243 2.327 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.161 -11.440 2.841 1.00 1.16 C ATOM 0 H VAL A 85 -2.908 -13.013 1.062 1.00 0.80 H new ATOM 0 HA VAL A 85 -4.943 -11.297 1.989 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.212 -10.487 0.940 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.359 -8.753 2.703 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.695 -8.638 1.533 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -3.977 -9.354 3.138 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.287 -10.890 3.191 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -2.830 -11.631 3.680 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.843 -12.388 2.407 1.00 1.16 H new ATOM 1060 N LYS A 86 -4.049 -10.999 -1.178 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.331 -10.318 -2.437 1.00 0.59 C ATOM 1062 C LYS A 86 -5.791 -10.499 -2.839 1.00 0.69 C ATOM 1063 O LYS A 86 -6.491 -9.525 -3.097 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.402 -10.846 -3.542 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.284 -9.948 -4.776 1.00 0.79 C ATOM 1066 CD LYS A 86 -4.511 -10.015 -5.678 1.00 1.07 C ATOM 1067 CE LYS A 86 -4.307 -9.217 -6.958 1.00 1.57 C ATOM 1068 NZ LYS A 86 -5.498 -9.268 -7.851 1.00 2.30 N ATOM 0 H LYS A 86 -3.376 -11.762 -1.254 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.148 -9.252 -2.300 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.407 -10.990 -3.120 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.759 -11.826 -3.858 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -3.131 -8.917 -4.456 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -2.403 -10.239 -5.348 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -4.725 -11.055 -5.926 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -5.379 -9.630 -5.143 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -4.089 -8.179 -6.706 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -3.439 -9.605 -7.491 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -5.188 -9.374 -8.838 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -6.095 -10.078 -7.587 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -6.044 -8.388 -7.752 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.255 -11.742 -2.868 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.585 -12.038 -3.392 1.00 0.89 C ATOM 1084 C LYS A 87 -8.683 -11.603 -2.424 1.00 0.88 C ATOM 1085 O LYS A 87 -9.802 -11.306 -2.846 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.712 -13.525 -3.730 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.601 -14.455 -2.535 1.00 1.85 C ATOM 1088 CD LYS A 87 -7.361 -15.886 -2.984 1.00 2.29 C ATOM 1089 CE LYS A 87 -7.187 -16.825 -1.805 1.00 3.21 C ATOM 1090 NZ LYS A 87 -6.613 -18.127 -2.226 1.00 3.93 N ATOM 0 H LYS A 87 -5.736 -12.556 -2.538 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.715 -11.463 -4.309 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -8.673 -13.693 -4.217 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -6.939 -13.788 -4.452 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -6.784 -14.130 -1.890 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -8.515 -14.404 -1.943 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -8.200 -16.221 -3.595 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -6.472 -15.925 -3.614 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -6.536 -16.362 -1.063 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -8.151 -16.990 -1.325 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -6.901 -18.867 -1.554 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -6.960 -18.368 -3.176 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -5.575 -18.060 -2.243 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.365 -11.553 -1.136 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.320 -11.083 -0.142 1.00 0.98 C ATOM 1106 C GLU A 88 -9.463 -9.566 -0.219 1.00 0.96 C ATOM 1107 O GLU A 88 -10.576 -9.044 -0.288 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.897 -11.514 1.264 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.974 -13.018 1.485 1.00 1.16 C ATOM 1110 CD GLU A 88 -10.396 -13.547 1.464 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -10.977 -13.737 2.553 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -10.937 -13.790 0.366 1.00 2.58 O ATOM 0 H GLU A 88 -7.459 -11.830 -0.758 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.289 -11.534 -0.357 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.876 -11.179 1.447 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.532 -11.014 1.995 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -8.393 -13.523 0.714 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.515 -13.263 2.443 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.332 -8.863 -0.234 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.333 -7.407 -0.366 1.00 0.93 C ATOM 1121 C ILE A 89 -8.944 -6.996 -1.703 1.00 0.87 C ATOM 1122 O ILE A 89 -9.691 -6.022 -1.785 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.903 -6.821 -0.242 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.350 -7.044 1.170 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.886 -5.337 -0.590 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -7.160 -6.377 2.261 1.00 1.17 C ATOM 0 H ILE A 89 -7.403 -9.278 -0.156 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.936 -7.005 0.448 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.264 -7.344 -0.954 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -6.307 -8.115 1.367 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.327 -6.671 1.212 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.871 -4.952 -0.494 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -7.231 -5.200 -1.615 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.544 -4.796 0.090 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.704 -6.582 3.230 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -7.183 -5.301 2.091 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -8.178 -6.768 2.249 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.648 -7.777 -2.734 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.174 -7.522 -4.081 1.00 0.79 C ATOM 1140 C GLU A 90 -10.700 -7.585 -4.058 1.00 0.79 C ATOM 1141 O GLU A 90 -11.385 -6.710 -4.589 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.624 -8.549 -5.093 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.228 -8.444 -6.479 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.634 -7.305 -7.272 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.470 -7.432 -7.706 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -9.326 -6.288 -7.486 1.00 2.08 O ATOM 0 H GLU A 90 -8.045 -8.597 -2.669 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.853 -6.528 -4.393 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.544 -8.423 -5.170 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.802 -9.553 -4.707 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -9.070 -9.380 -7.015 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -10.306 -8.303 -6.395 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.213 -8.624 -3.410 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.647 -8.843 -3.286 1.00 0.93 C ATOM 1155 C LYS A 91 -13.300 -7.760 -2.428 1.00 0.96 C ATOM 1156 O LYS A 91 -14.442 -7.359 -2.666 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.879 -10.228 -2.682 1.00 1.11 C ATOM 1158 CG LYS A 91 -14.331 -10.566 -2.395 1.00 1.66 C ATOM 1159 CD LYS A 91 -14.469 -12.001 -1.913 1.00 1.93 C ATOM 1160 CE LYS A 91 -13.597 -12.270 -0.693 1.00 2.60 C ATOM 1161 NZ LYS A 91 -13.691 -13.679 -0.236 1.00 3.12 N ATOM 0 H LYS A 91 -10.645 -9.339 -2.955 1.00 0.85 H new ATOM 0 HA LYS A 91 -13.107 -8.790 -4.273 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.475 -10.977 -3.362 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -12.313 -10.303 -1.753 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -14.725 -9.885 -1.640 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -14.927 -10.422 -3.296 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -15.511 -12.204 -1.668 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -14.192 -12.683 -2.716 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.560 -12.036 -0.931 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -13.895 -11.606 0.118 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -12.752 -14.010 0.065 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -14.352 -13.741 0.564 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -14.035 -14.275 -1.016 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.577 -7.292 -1.420 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.064 -6.218 -0.566 1.00 1.17 C ATOM 1177 C LYS A 92 -13.116 -4.906 -1.336 1.00 1.08 C ATOM 1178 O LYS A 92 -14.124 -4.201 -1.311 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.179 -6.070 0.671 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.260 -7.259 1.618 1.00 1.59 C ATOM 1181 CD LYS A 92 -11.282 -7.132 2.775 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.606 -5.946 3.671 1.00 2.18 C ATOM 1183 NZ LYS A 92 -12.907 -6.103 4.373 1.00 2.41 N ATOM 0 H LYS A 92 -11.650 -7.640 -1.174 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.073 -6.472 -0.241 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -11.144 -5.937 0.355 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.467 -5.167 1.209 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -13.274 -7.344 2.008 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -12.053 -8.176 1.067 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -11.300 -8.048 3.366 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -10.270 -7.024 2.384 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -10.812 -5.823 4.407 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -11.628 -5.036 3.071 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -13.012 -5.349 5.082 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -13.683 -6.041 3.684 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -12.937 -7.029 4.845 1.00 2.41 H new ATOM 1197 N ALA A 93 -12.034 -4.600 -2.043 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.951 -3.375 -2.828 1.00 0.99 C ATOM 1199 C ALA A 93 -12.969 -3.384 -3.965 1.00 0.90 C ATOM 1200 O ALA A 93 -13.408 -2.332 -4.427 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.545 -3.189 -3.376 1.00 1.01 C ATOM 0 H ALA A 93 -11.200 -5.186 -2.088 1.00 0.98 H new ATOM 0 HA ALA A 93 -12.183 -2.536 -2.172 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.501 -2.270 -3.960 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.837 -3.128 -2.549 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.288 -4.036 -4.013 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.346 -4.580 -4.403 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.339 -4.727 -5.462 1.00 0.85 C ATOM 1209 C ARG A 94 -15.727 -4.362 -4.941 1.00 0.86 C ATOM 1210 O ARG A 94 -16.567 -3.854 -5.683 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.342 -6.163 -6.012 1.00 0.93 C ATOM 1212 CG ARG A 94 -15.279 -6.365 -7.193 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.840 -5.552 -8.399 1.00 1.63 C ATOM 1214 NE ARG A 94 -15.768 -5.688 -9.518 1.00 2.21 N ATOM 1215 CZ ARG A 94 -15.422 -5.537 -10.795 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -14.168 -5.254 -11.125 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -16.339 -5.666 -11.744 1.00 3.67 N ATOM 0 H ARG A 94 -12.980 -5.461 -4.042 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.076 -4.048 -6.273 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -13.329 -6.429 -6.314 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.626 -6.848 -5.213 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -15.310 -7.422 -7.457 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -16.291 -6.078 -6.909 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -14.761 -4.502 -8.119 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.846 -5.874 -8.711 1.00 1.63 H new ATOM 0 HE ARG A 94 -16.741 -5.912 -9.309 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -13.460 -5.150 -10.398 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.912 -5.140 -12.106 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -17.305 -5.880 -11.494 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -16.079 -5.551 -12.724 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.960 -4.618 -3.659 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.236 -4.282 -3.037 1.00 1.02 C ATOM 1233 C LYS A 95 -17.291 -2.801 -2.692 1.00 1.02 C ATOM 1234 O LYS A 95 -18.367 -2.209 -2.621 1.00 1.15 O ATOM 1235 CB LYS A 95 -17.468 -5.118 -1.778 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.735 -6.588 -2.059 1.00 1.55 C ATOM 1237 CD LYS A 95 -18.148 -7.333 -0.797 1.00 2.10 C ATOM 1238 CE LYS A 95 -16.996 -7.467 0.187 1.00 2.52 C ATOM 1239 NZ LYS A 95 -15.909 -8.326 -0.350 1.00 3.34 N ATOM 0 H LYS A 95 -15.285 -5.055 -3.032 1.00 0.90 H new ATOM 0 HA LYS A 95 -18.025 -4.507 -3.754 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.595 -5.034 -1.131 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -18.313 -4.703 -1.228 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.520 -6.679 -2.809 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.840 -7.048 -2.477 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -18.974 -6.807 -0.319 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -18.514 -8.324 -1.064 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -16.598 -6.479 0.418 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -17.364 -7.889 1.122 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -15.190 -8.476 0.386 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -16.303 -9.243 -0.641 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -15.472 -7.860 -1.171 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.127 -2.206 -2.480 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.046 -0.786 -2.164 1.00 1.03 C ATOM 1255 C LYS A 96 -16.021 0.048 -3.438 1.00 0.96 C ATOM 1256 O LYS A 96 -16.124 1.273 -3.391 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.792 -0.473 -1.338 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.684 -1.252 -0.037 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.855 -0.980 0.892 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.616 -1.578 2.268 1.00 1.78 C ATOM 1261 NZ LYS A 96 -14.532 -0.868 2.999 1.00 2.17 N ATOM 0 H LYS A 96 -15.226 -2.683 -2.521 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.930 -0.533 -1.579 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -13.911 -0.681 -1.945 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.779 0.593 -1.111 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -14.637 -2.319 -0.257 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -13.754 -0.989 0.466 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -16.009 0.095 0.982 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -16.766 -1.398 0.464 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -16.537 -1.532 2.849 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -15.356 -2.632 2.166 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -14.411 -1.295 3.940 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -13.643 -0.948 2.465 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -14.784 0.136 3.104 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.885 -0.643 -4.576 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.716 0.002 -5.880 1.00 0.86 C ATOM 1277 C ASN A 97 -14.508 0.922 -5.838 1.00 0.87 C ATOM 1278 O ASN A 97 -14.560 2.071 -6.271 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.971 0.778 -6.288 1.00 0.97 C ATOM 1280 CG ASN A 97 -18.174 -0.125 -6.470 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.942 -0.353 -5.535 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -18.339 -0.654 -7.671 1.00 2.33 N ATOM 0 H ASN A 97 -15.889 -1.662 -4.617 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.555 -0.772 -6.630 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.194 1.528 -5.529 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.778 1.313 -7.218 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -19.126 -1.277 -7.850 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -17.679 -0.439 -8.418 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.418 0.392 -5.313 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.234 1.182 -5.032 1.00 0.84 C ATOM 1291 C LEU A 98 -11.062 0.711 -5.893 1.00 0.71 C ATOM 1292 O LEU A 98 -10.557 -0.399 -5.703 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.894 1.039 -3.544 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.852 2.014 -2.988 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.354 3.452 -3.043 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -10.500 1.631 -1.561 1.00 2.08 C ATOM 0 H LEU A 98 -13.329 -0.595 -5.070 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.425 2.229 -5.268 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.813 1.157 -2.970 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.539 0.023 -3.371 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.958 1.951 -3.609 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.591 4.119 -2.641 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.566 3.724 -4.077 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -12.264 3.543 -2.450 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.758 2.327 -1.170 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.396 1.670 -0.942 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -10.092 0.620 -1.546 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.649 1.519 -6.889 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.454 1.231 -7.691 1.00 0.85 C ATOM 1310 C PRO A 99 -8.221 1.028 -6.815 1.00 0.70 C ATOM 1311 O PRO A 99 -8.017 1.751 -5.837 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.283 2.474 -8.565 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.626 3.121 -8.610 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.334 2.749 -7.330 1.00 1.10 C ATOM 0 HA PRO A 99 -9.565 0.312 -8.267 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.537 3.149 -8.145 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -8.943 2.206 -9.565 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.531 4.203 -8.698 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.191 2.779 -9.477 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -11.253 3.540 -6.585 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.397 2.576 -7.497 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.399 0.052 -7.174 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.243 -0.303 -6.368 1.00 0.47 C ATOM 1324 C VAL A 100 -5.114 -0.838 -7.251 1.00 0.42 C ATOM 1325 O VAL A 100 -5.346 -1.641 -8.156 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.626 -1.347 -5.289 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.155 -2.629 -5.917 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -5.450 -1.644 -4.379 1.00 1.35 C ATOM 0 H VAL A 100 -7.513 -0.508 -8.019 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.891 0.598 -5.865 1.00 0.47 H new ATOM 0 HB VAL A 100 -7.426 -0.916 -4.687 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.414 -3.339 -5.132 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -8.042 -2.405 -6.510 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -6.389 -3.062 -6.560 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -5.746 -2.380 -3.631 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -4.624 -2.039 -4.970 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -5.134 -0.727 -3.881 1.00 1.35 H new ATOM 1338 N ARG A 101 -3.896 -0.370 -7.006 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.744 -0.809 -7.781 1.00 0.43 C ATOM 1340 C ARG A 101 -1.857 -1.716 -6.933 1.00 0.40 C ATOM 1341 O ARG A 101 -1.064 -1.238 -6.120 1.00 0.39 O ATOM 1342 CB ARG A 101 -1.942 0.400 -8.271 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.097 0.117 -9.504 1.00 1.20 C ATOM 1344 CD ARG A 101 -1.967 -0.066 -10.738 1.00 1.40 C ATOM 1345 NE ARG A 101 -1.178 -0.331 -11.942 1.00 2.23 N ATOM 1346 CZ ARG A 101 -1.387 0.268 -13.117 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -2.322 1.201 -13.239 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -0.653 -0.063 -14.171 1.00 3.87 N ATOM 0 H ARG A 101 -3.682 0.312 -6.278 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.098 -1.369 -8.647 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.631 1.215 -8.493 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.291 0.743 -7.467 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.400 0.939 -9.666 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -0.500 -0.780 -9.341 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -2.660 -0.891 -10.572 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -2.569 0.830 -10.891 1.00 1.40 H new ATOM 0 HE ARG A 101 -0.423 -1.014 -11.880 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -2.887 1.465 -12.432 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -2.476 1.654 -14.140 1.00 2.96 H new ATOM 0 HH21 ARG A 101 0.072 -0.776 -14.084 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -0.813 0.395 -15.068 1.00 3.87 H new ATOM 1362 N ILE A 102 -1.998 -3.020 -7.125 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.264 -3.993 -6.329 1.00 0.43 C ATOM 1364 C ILE A 102 0.006 -4.441 -7.040 1.00 0.45 C ATOM 1365 O ILE A 102 -0.021 -4.822 -8.212 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.135 -5.227 -5.995 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.387 -4.794 -5.221 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.337 -6.248 -5.190 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.285 -5.943 -4.813 1.00 0.76 C ATOM 0 H ILE A 102 -2.615 -3.429 -7.827 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.991 -3.498 -5.397 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.444 -5.697 -6.929 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.080 -4.251 -4.327 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.959 -4.099 -5.835 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.968 -7.108 -4.966 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.473 -6.573 -5.770 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.999 -5.793 -4.259 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.148 -5.556 -4.271 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.624 -6.474 -5.703 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.731 -6.628 -4.171 1.00 0.76 H new ATOM 1381 N ARG A 103 1.116 -4.378 -6.323 1.00 0.41 N ATOM 1382 CA ARG A 103 2.404 -4.809 -6.843 1.00 0.50 C ATOM 1383 C ARG A 103 3.036 -5.815 -5.900 1.00 0.43 C ATOM 1384 O ARG A 103 2.683 -5.876 -4.725 1.00 0.53 O ATOM 1385 CB ARG A 103 3.347 -3.625 -6.984 1.00 0.65 C ATOM 1386 CG ARG A 103 2.952 -2.633 -8.062 1.00 1.12 C ATOM 1387 CD ARG A 103 3.851 -1.395 -8.021 1.00 1.27 C ATOM 1388 NE ARG A 103 3.979 -0.875 -6.655 1.00 1.83 N ATOM 1389 CZ ARG A 103 5.019 -1.111 -5.854 1.00 2.44 C ATOM 1390 NH1 ARG A 103 6.008 -1.894 -6.265 1.00 2.64 N ATOM 1391 NH2 ARG A 103 5.056 -0.580 -4.636 1.00 3.34 N ATOM 0 H ARG A 103 1.150 -4.027 -5.366 1.00 0.41 H new ATOM 0 HA ARG A 103 2.237 -5.263 -7.820 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.400 -3.103 -6.029 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.348 -3.998 -7.200 1.00 0.65 H new ATOM 0 HG2 ARG A 103 3.023 -3.107 -9.041 1.00 1.12 H new ATOM 0 HG3 ARG A 103 1.912 -2.337 -7.926 1.00 1.12 H new ATOM 0 HD2 ARG A 103 4.837 -1.646 -8.411 1.00 1.27 H new ATOM 0 HD3 ARG A 103 3.439 -0.622 -8.670 1.00 1.27 H new ATOM 0 HE ARG A 103 3.222 -0.294 -6.294 1.00 1.83 H new ATOM 0 HH11 ARG A 103 5.973 -2.315 -7.193 1.00 2.64 H new ATOM 0 HH12 ARG A 103 6.804 -2.075 -5.653 1.00 2.64 H new ATOM 0 HH21 ARG A 103 4.288 0.009 -4.313 1.00 3.34 H new ATOM 0 HH22 ARG A 103 5.852 -0.761 -4.025 1.00 3.34 H new ATOM 1405 N LYS A 104 3.983 -6.577 -6.410 1.00 0.38 N ATOM 1406 CA LYS A 104 4.698 -7.551 -5.605 1.00 0.39 C ATOM 1407 C LYS A 104 6.202 -7.334 -5.724 1.00 0.37 C ATOM 1408 O LYS A 104 6.819 -7.736 -6.708 1.00 0.46 O ATOM 1409 CB LYS A 104 4.334 -8.971 -6.038 1.00 0.51 C ATOM 1410 CG LYS A 104 2.851 -9.286 -5.890 1.00 0.63 C ATOM 1411 CD LYS A 104 2.510 -10.667 -6.427 1.00 1.06 C ATOM 1412 CE LYS A 104 2.760 -10.771 -7.923 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.955 -9.789 -8.697 1.00 1.91 N ATOM 0 H LYS A 104 4.278 -6.541 -7.386 1.00 0.38 H new ATOM 0 HA LYS A 104 4.407 -7.419 -4.563 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.626 -9.112 -7.079 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.910 -9.682 -5.446 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.570 -9.225 -4.839 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.265 -8.535 -6.420 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.106 -11.416 -5.906 1.00 1.06 H new ATOM 0 HD3 LYS A 104 1.464 -10.890 -6.217 1.00 1.06 H new ATOM 0 HE2 LYS A 104 3.819 -10.609 -8.125 1.00 1.50 H new ATOM 0 HE3 LYS A 104 2.522 -11.780 -8.260 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 1.985 -10.035 -9.707 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 0.970 -9.809 -8.364 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.347 -8.835 -8.562 1.00 1.91 H new ATOM 1427 N VAL A 105 6.784 -6.700 -4.716 1.00 0.35 N ATOM 1428 CA VAL A 105 8.209 -6.378 -4.730 1.00 0.39 C ATOM 1429 C VAL A 105 8.849 -6.719 -3.392 1.00 0.46 C ATOM 1430 O VAL A 105 8.206 -6.642 -2.345 1.00 0.52 O ATOM 1431 CB VAL A 105 8.493 -4.871 -5.027 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.977 -4.453 -6.390 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.908 -3.966 -3.951 1.00 0.55 C ATOM 0 H VAL A 105 6.293 -6.397 -3.875 1.00 0.35 H new ATOM 0 HA VAL A 105 8.638 -6.977 -5.534 1.00 0.39 H new ATOM 0 HB VAL A 105 9.577 -4.758 -5.024 1.00 0.43 H new ATOM 0 HG11 VAL A 105 8.196 -3.398 -6.554 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.464 -5.049 -7.162 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.899 -4.611 -6.435 1.00 0.43 H new ATOM 0 HG21 VAL A 105 8.126 -2.926 -4.192 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.828 -4.109 -3.903 1.00 0.55 H new ATOM 0 HG23 VAL A 105 8.350 -4.215 -2.986 1.00 0.55 H new ATOM 1443 N THR A 106 10.102 -7.127 -3.430 1.00 0.52 N ATOM 1444 CA THR A 106 10.907 -7.178 -2.232 1.00 0.61 C ATOM 1445 C THR A 106 12.248 -6.524 -2.526 1.00 0.58 C ATOM 1446 O THR A 106 13.175 -7.159 -3.026 1.00 0.67 O ATOM 1447 CB THR A 106 11.102 -8.627 -1.746 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.820 -9.260 -1.618 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.819 -8.664 -0.403 1.00 1.64 C ATOM 0 H THR A 106 10.582 -7.427 -4.278 1.00 0.52 H new ATOM 0 HA THR A 106 10.397 -6.641 -1.432 1.00 0.61 H new ATOM 0 HB THR A 106 11.714 -9.157 -2.477 1.00 0.80 H new ATOM 0 HG1 THR A 106 9.942 -10.225 -1.499 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.943 -9.699 -0.085 1.00 1.64 H new ATOM 0 HG22 THR A 106 12.798 -8.195 -0.500 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.230 -8.124 0.339 1.00 1.64 H new ATOM 1457 N SER A 107 12.322 -5.243 -2.203 1.00 0.50 N ATOM 1458 CA SER A 107 13.479 -4.417 -2.504 1.00 0.51 C ATOM 1459 C SER A 107 13.209 -3.002 -2.016 1.00 0.45 C ATOM 1460 O SER A 107 12.272 -2.348 -2.485 1.00 0.44 O ATOM 1461 CB SER A 107 13.750 -4.402 -4.016 1.00 0.56 C ATOM 1462 OG SER A 107 14.828 -3.538 -4.340 1.00 1.36 O ATOM 0 H SER A 107 11.575 -4.744 -1.721 1.00 0.50 H new ATOM 0 HA SER A 107 14.356 -4.826 -2.002 1.00 0.51 H new ATOM 0 HB2 SER A 107 13.976 -5.412 -4.357 1.00 0.56 H new ATOM 0 HB3 SER A 107 12.853 -4.081 -4.545 1.00 0.56 H new ATOM 0 HG SER A 107 15.082 -3.669 -5.277 1.00 1.36 H new ATOM 1468 N PRO A 108 14.011 -2.513 -1.060 1.00 0.47 N ATOM 1469 CA PRO A 108 13.820 -1.185 -0.478 1.00 0.49 C ATOM 1470 C PRO A 108 13.941 -0.079 -1.519 1.00 0.43 C ATOM 1471 O PRO A 108 13.298 0.963 -1.406 1.00 0.47 O ATOM 1472 CB PRO A 108 14.939 -1.069 0.563 1.00 0.63 C ATOM 1473 CG PRO A 108 15.937 -2.113 0.193 1.00 0.69 C ATOM 1474 CD PRO A 108 15.166 -3.214 -0.474 1.00 0.55 C ATOM 0 HA PRO A 108 12.823 -1.072 -0.052 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.387 -0.075 0.549 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.556 -1.232 1.571 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.694 -1.707 -0.478 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.458 -2.483 1.076 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.761 -3.716 -1.237 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.854 -3.976 0.240 1.00 0.55 H new ATOM 1482 N ASP A 109 14.748 -0.324 -2.543 1.00 0.46 N ATOM 1483 CA ASP A 109 14.959 0.659 -3.597 1.00 0.50 C ATOM 1484 C ASP A 109 13.738 0.759 -4.508 1.00 0.41 C ATOM 1485 O ASP A 109 13.262 1.860 -4.793 1.00 0.44 O ATOM 1486 CB ASP A 109 16.202 0.316 -4.416 1.00 0.64 C ATOM 1487 CG ASP A 109 16.495 1.360 -5.474 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.894 2.489 -5.109 1.00 2.22 O ATOM 1489 OD2 ASP A 109 16.336 1.057 -6.672 1.00 2.37 O ATOM 0 H ASP A 109 15.266 -1.194 -2.666 1.00 0.46 H new ATOM 0 HA ASP A 109 15.111 1.628 -3.121 1.00 0.50 H new ATOM 0 HB2 ASP A 109 17.060 0.225 -3.750 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.064 -0.654 -4.893 1.00 0.64 H new ATOM 1494 N GLU A 110 13.223 -0.386 -4.959 1.00 0.38 N ATOM 1495 CA GLU A 110 12.029 -0.396 -5.801 1.00 0.38 C ATOM 1496 C GLU A 110 10.834 0.166 -5.047 1.00 0.36 C ATOM 1497 O GLU A 110 10.017 0.896 -5.615 1.00 0.42 O ATOM 1498 CB GLU A 110 11.690 -1.802 -6.291 1.00 0.43 C ATOM 1499 CG GLU A 110 12.725 -2.406 -7.218 1.00 0.68 C ATOM 1500 CD GLU A 110 12.140 -3.495 -8.088 1.00 1.32 C ATOM 1501 OE1 GLU A 110 12.085 -4.660 -7.645 1.00 2.01 O ATOM 1502 OE2 GLU A 110 11.719 -3.184 -9.220 1.00 2.12 O ATOM 0 H GLU A 110 13.610 -1.308 -4.757 1.00 0.38 H new ATOM 0 HA GLU A 110 12.248 0.230 -6.666 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.568 -2.455 -5.427 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.730 -1.773 -6.807 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.146 -1.624 -7.850 1.00 0.68 H new ATOM 0 HG3 GLU A 110 13.545 -2.815 -6.628 1.00 0.68 H new ATOM 1509 N ALA A 111 10.737 -0.181 -3.768 1.00 0.33 N ATOM 1510 CA ALA A 111 9.664 0.311 -2.917 1.00 0.35 C ATOM 1511 C ALA A 111 9.634 1.831 -2.919 1.00 0.34 C ATOM 1512 O ALA A 111 8.583 2.443 -3.098 1.00 0.41 O ATOM 1513 CB ALA A 111 9.837 -0.207 -1.498 1.00 0.38 C ATOM 0 H ALA A 111 11.393 -0.804 -3.298 1.00 0.33 H new ATOM 0 HA ALA A 111 8.717 -0.055 -3.313 1.00 0.35 H new ATOM 0 HB1 ALA A 111 9.027 0.169 -0.872 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.816 -1.297 -1.503 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.792 0.135 -1.100 1.00 0.38 H new ATOM 1519 N LYS A 112 10.805 2.424 -2.754 1.00 0.32 N ATOM 1520 CA LYS A 112 10.935 3.873 -2.702 1.00 0.34 C ATOM 1521 C LYS A 112 10.672 4.493 -4.067 1.00 0.37 C ATOM 1522 O LYS A 112 10.105 5.581 -4.165 1.00 0.42 O ATOM 1523 CB LYS A 112 12.332 4.266 -2.214 1.00 0.40 C ATOM 1524 CG LYS A 112 12.591 3.919 -0.756 1.00 0.48 C ATOM 1525 CD LYS A 112 14.061 4.076 -0.392 1.00 0.62 C ATOM 1526 CE LYS A 112 14.553 5.496 -0.604 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.986 5.642 -0.243 1.00 1.51 N ATOM 0 H LYS A 112 11.686 1.920 -2.653 1.00 0.32 H new ATOM 0 HA LYS A 112 10.192 4.252 -2.000 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.077 3.768 -2.835 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.467 5.339 -2.352 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.987 4.562 -0.116 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.276 2.893 -0.565 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.208 3.794 0.650 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.658 3.392 -0.995 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.410 5.778 -1.647 1.00 1.11 H new ATOM 0 HE3 LYS A 112 13.955 6.181 -0.003 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.285 6.625 -0.401 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.118 5.397 0.759 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.559 5.006 -0.834 1.00 1.51 H new ATOM 1541 N ARG A 113 11.074 3.789 -5.119 1.00 0.38 N ATOM 1542 CA ARG A 113 10.935 4.300 -6.475 1.00 0.46 C ATOM 1543 C ARG A 113 9.465 4.478 -6.835 1.00 0.43 C ATOM 1544 O ARG A 113 9.053 5.554 -7.268 1.00 0.50 O ATOM 1545 CB ARG A 113 11.606 3.360 -7.479 1.00 0.57 C ATOM 1546 CG ARG A 113 11.720 3.950 -8.881 1.00 0.77 C ATOM 1547 CD ARG A 113 12.355 2.954 -9.860 1.00 1.01 C ATOM 1548 NE ARG A 113 11.586 1.713 -9.944 1.00 1.68 N ATOM 1549 CZ ARG A 113 12.109 0.499 -9.787 1.00 2.13 C ATOM 1550 NH1 ARG A 113 13.401 0.356 -9.522 1.00 1.97 N ATOM 1551 NH2 ARG A 113 11.335 -0.575 -9.906 1.00 2.96 N ATOM 0 H ARG A 113 11.498 2.863 -5.058 1.00 0.38 H new ATOM 0 HA ARG A 113 11.428 5.271 -6.520 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.603 3.107 -7.118 1.00 0.57 H new ATOM 0 HB3 ARG A 113 11.039 2.430 -7.529 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.730 4.233 -9.239 1.00 0.77 H new ATOM 0 HG3 ARG A 113 12.319 4.860 -8.846 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.422 3.408 -10.849 1.00 1.01 H new ATOM 0 HD3 ARG A 113 13.373 2.730 -9.542 1.00 1.01 H new ATOM 0 HE ARG A 113 10.586 1.782 -10.135 1.00 1.68 H new ATOM 0 HH11 ARG A 113 13.998 1.178 -9.438 1.00 1.97 H new ATOM 0 HH12 ARG A 113 13.797 -0.576 -9.403 1.00 1.97 H new ATOM 0 HH21 ARG A 113 10.343 -0.468 -10.117 1.00 2.96 H new ATOM 0 HH22 ARG A 113 11.733 -1.506 -9.786 1.00 2.96 H new ATOM 1565 N TRP A 114 8.679 3.425 -6.629 1.00 0.39 N ATOM 1566 CA TRP A 114 7.265 3.435 -6.992 1.00 0.39 C ATOM 1567 C TRP A 114 6.484 4.496 -6.226 1.00 0.40 C ATOM 1568 O TRP A 114 5.563 5.105 -6.768 1.00 0.46 O ATOM 1569 CB TRP A 114 6.638 2.066 -6.748 1.00 0.38 C ATOM 1570 CG TRP A 114 7.005 1.042 -7.775 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.899 0.021 -7.638 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.480 0.941 -9.104 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.939 -0.728 -8.786 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.085 -0.177 -9.707 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.551 1.683 -9.838 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 6.789 -0.569 -11.010 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.261 1.295 -11.132 1.00 1.29 C ATOM 1578 CH2 TRP A 114 5.878 0.177 -11.707 1.00 1.25 C ATOM 0 H TRP A 114 8.999 2.551 -6.211 1.00 0.39 H new ATOM 0 HA TRP A 114 7.213 3.677 -8.053 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.943 1.707 -5.765 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.553 2.172 -6.726 1.00 0.38 H new ATOM 0 HD1 TRP A 114 8.489 -0.170 -6.754 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.511 -1.560 -8.931 1.00 0.40 H new ATOM 0 HE3 TRP A 114 5.068 2.545 -9.402 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.262 -1.432 -11.455 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.547 1.863 -11.709 1.00 1.29 H new ATOM 0 HH2 TRP A 114 5.630 -0.102 -12.720 1.00 1.25 H new ATOM 1589 N ILE A 115 6.845 4.710 -4.967 1.00 0.38 N ATOM 1590 CA ILE A 115 6.197 5.736 -4.157 1.00 0.41 C ATOM 1591 C ILE A 115 6.356 7.105 -4.817 1.00 0.47 C ATOM 1592 O ILE A 115 5.394 7.864 -4.948 1.00 0.55 O ATOM 1593 CB ILE A 115 6.781 5.773 -2.727 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.501 4.449 -2.006 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.212 6.945 -1.937 1.00 0.45 C ATOM 1596 CD1 ILE A 115 7.075 4.383 -0.607 1.00 0.44 C ATOM 0 H ILE A 115 7.579 4.190 -4.486 1.00 0.38 H new ATOM 0 HA ILE A 115 5.138 5.488 -4.087 1.00 0.41 H new ATOM 0 HB ILE A 115 7.860 5.910 -2.800 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.423 4.295 -1.954 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.912 3.630 -2.597 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.639 6.949 -0.934 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.461 7.879 -2.441 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.128 6.847 -1.870 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.836 3.417 -0.161 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.157 4.505 -0.652 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.645 5.179 0.001 1.00 0.44 H new ATOM 1608 N LYS A 116 7.570 7.383 -5.271 1.00 0.50 N ATOM 1609 CA LYS A 116 7.882 8.641 -5.937 1.00 0.60 C ATOM 1610 C LYS A 116 7.179 8.733 -7.289 1.00 0.57 C ATOM 1611 O LYS A 116 6.862 9.823 -7.770 1.00 0.69 O ATOM 1612 CB LYS A 116 9.393 8.762 -6.134 1.00 0.73 C ATOM 1613 CG LYS A 116 10.187 8.797 -4.836 1.00 1.18 C ATOM 1614 CD LYS A 116 11.676 8.623 -5.091 1.00 1.85 C ATOM 1615 CE LYS A 116 12.216 9.683 -6.039 1.00 2.50 C ATOM 1616 NZ LYS A 116 13.646 9.451 -6.370 1.00 3.13 N ATOM 0 H LYS A 116 8.363 6.747 -5.189 1.00 0.50 H new ATOM 0 HA LYS A 116 7.528 9.458 -5.308 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.739 7.922 -6.737 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.603 9.669 -6.701 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.012 9.744 -4.326 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.836 8.008 -4.171 1.00 1.18 H new ATOM 0 HD2 LYS A 116 12.215 8.674 -4.145 1.00 1.85 H new ATOM 0 HD3 LYS A 116 11.860 7.634 -5.510 1.00 1.85 H new ATOM 0 HE2 LYS A 116 11.626 9.685 -6.956 1.00 2.50 H new ATOM 0 HE3 LYS A 116 12.103 10.668 -5.585 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 13.977 10.194 -7.018 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 14.212 9.474 -5.498 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 13.751 8.522 -6.826 1.00 3.13 H new ATOM 1630 N GLU A 117 6.938 7.581 -7.901 1.00 0.53 N ATOM 1631 CA GLU A 117 6.294 7.528 -9.206 1.00 0.58 C ATOM 1632 C GLU A 117 4.835 7.954 -9.118 1.00 0.57 C ATOM 1633 O GLU A 117 4.297 8.538 -10.054 1.00 0.66 O ATOM 1634 CB GLU A 117 6.390 6.120 -9.796 1.00 0.70 C ATOM 1635 CG GLU A 117 7.815 5.670 -10.069 1.00 1.28 C ATOM 1636 CD GLU A 117 8.509 6.527 -11.108 1.00 1.51 C ATOM 1637 OE1 GLU A 117 9.091 7.568 -10.736 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.488 6.156 -12.301 1.00 1.93 O ATOM 0 H GLU A 117 7.180 6.669 -7.513 1.00 0.53 H new ATOM 0 HA GLU A 117 6.817 8.225 -9.861 1.00 0.58 H new ATOM 0 HB2 GLU A 117 5.921 5.415 -9.110 1.00 0.70 H new ATOM 0 HB3 GLU A 117 5.823 6.086 -10.726 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.385 5.699 -9.140 1.00 1.28 H new ATOM 0 HG3 GLU A 117 7.806 4.633 -10.406 1.00 1.28 H new ATOM 1645 N PHE A 118 4.202 7.675 -7.988 1.00 0.56 N ATOM 1646 CA PHE A 118 2.792 7.986 -7.820 1.00 0.66 C ATOM 1647 C PHE A 118 2.592 9.382 -7.241 1.00 0.73 C ATOM 1648 O PHE A 118 1.600 10.044 -7.541 1.00 0.88 O ATOM 1649 CB PHE A 118 2.113 6.936 -6.939 1.00 0.73 C ATOM 1650 CG PHE A 118 1.751 5.676 -7.676 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.730 4.883 -8.255 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.428 5.283 -7.785 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.395 3.727 -8.929 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.086 4.128 -8.459 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.072 3.349 -9.032 1.00 1.41 C ATOM 0 H PHE A 118 4.640 7.236 -7.178 1.00 0.56 H new ATOM 0 HA PHE A 118 2.328 7.968 -8.806 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.776 6.685 -6.111 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.210 7.366 -6.506 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.767 5.174 -8.177 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.346 5.888 -7.337 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.167 3.118 -9.376 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.950 3.834 -8.538 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.808 2.445 -9.560 1.00 1.41 H new ATOM 1665 N SER A 119 3.534 9.834 -6.422 1.00 0.69 N ATOM 1666 CA SER A 119 3.430 11.153 -5.812 1.00 0.80 C ATOM 1667 C SER A 119 3.592 12.240 -6.869 1.00 0.79 C ATOM 1668 O SER A 119 2.862 13.234 -6.874 1.00 0.90 O ATOM 1669 CB SER A 119 4.471 11.312 -4.702 1.00 0.93 C ATOM 1670 OG SER A 119 5.779 11.072 -5.188 1.00 1.20 O ATOM 0 H SER A 119 4.372 9.311 -6.167 1.00 0.69 H new ATOM 0 HA SER A 119 2.441 11.255 -5.366 1.00 0.80 H new ATOM 0 HB2 SER A 119 4.413 12.318 -4.287 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.249 10.619 -3.890 1.00 0.93 H new ATOM 0 HG SER A 119 6.261 11.922 -5.264 1.00 1.20 H new ATOM 1676 N GLU A 120 4.529 12.029 -7.785 1.00 0.81 N ATOM 1677 CA GLU A 120 4.757 12.971 -8.871 1.00 0.96 C ATOM 1678 C GLU A 120 3.830 12.673 -10.050 1.00 1.17 C ATOM 1679 O GLU A 120 4.025 13.191 -11.152 1.00 1.50 O ATOM 1680 CB GLU A 120 6.221 12.943 -9.330 1.00 1.08 C ATOM 1681 CG GLU A 120 7.169 13.770 -8.466 1.00 1.41 C ATOM 1682 CD GLU A 120 7.396 13.192 -7.082 1.00 2.00 C ATOM 1683 OE1 GLU A 120 6.556 13.422 -6.187 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.430 12.522 -6.874 1.00 2.77 O ATOM 0 H GLU A 120 5.142 11.214 -7.797 1.00 0.81 H new ATOM 0 HA GLU A 120 4.535 13.970 -8.495 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.566 11.909 -9.339 1.00 1.08 H new ATOM 0 HB3 GLU A 120 6.274 13.306 -10.356 1.00 1.08 H new ATOM 0 HG2 GLU A 120 8.129 13.856 -8.976 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.769 14.779 -8.367 1.00 1.41 H new ATOM 1691 N GLU A 121 2.825 11.838 -9.812 1.00 1.22 N ATOM 1692 CA GLU A 121 1.854 11.495 -10.837 1.00 1.56 C ATOM 1693 C GLU A 121 0.513 12.150 -10.522 1.00 2.02 C ATOM 1694 O GLU A 121 0.289 13.292 -10.973 1.00 2.60 O ATOM 1695 CB GLU A 121 1.690 9.977 -10.927 1.00 1.96 C ATOM 1696 CG GLU A 121 0.810 9.524 -12.079 1.00 2.47 C ATOM 1697 CD GLU A 121 0.559 8.032 -12.062 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -0.453 7.602 -11.469 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.369 7.280 -12.639 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.308 11.526 -9.816 1.00 2.53 O ATOM 0 H GLU A 121 2.663 11.385 -8.912 1.00 1.22 H new ATOM 0 HA GLU A 121 2.212 11.863 -11.798 1.00 1.56 H new ATOM 0 HB2 GLU A 121 2.674 9.520 -11.032 1.00 1.96 H new ATOM 0 HB3 GLU A 121 1.266 9.610 -9.992 1.00 1.96 H new ATOM 0 HG2 GLU A 121 -0.143 10.050 -12.033 1.00 2.47 H new ATOM 0 HG3 GLU A 121 1.281 9.800 -13.023 1.00 2.47 H new TER 1707 GLU A 121