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 Single : A 29 SER OG : rot 160:sc= -0.0352 USER MOD Single : A 30 ASN : amide:sc=-0.00777 X(o=-0.0078,f=-0.023) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 127:sc= -0.0705 (180deg=-0.439) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -174:sc= -0.12 (180deg=-0.162) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 1.1 (180deg=1.07) USER MOD Single : A 46 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.21) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -0.041 (180deg=-0.218) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0249 (180deg=-0.211) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 0.796 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0584) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -0.0627 (180deg=-0.399) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00131 (180deg=-0.146) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 140:sc= 1.23 (180deg=0.714) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -0.0051 (180deg=-0.125) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.13) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= 2.5 (180deg=2.21) USER MOD Single : A 97 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.13) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0.797 (180deg=0.646) USER MOD Single : A 106 THR OG1 : rot 112:sc= 1.23 USER MOD Single : A 107 SER OG : rot 24:sc= 1.21 USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.11) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 55:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.951 13.009 -3.972 1.00 1.16 N ATOM 2 CA GLY A 22 -4.532 12.292 -2.746 1.00 1.05 C ATOM 3 C GLY A 22 -4.134 10.866 -3.047 1.00 0.87 C ATOM 4 O GLY A 22 -4.661 10.254 -3.979 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.694 12.815 -2.286 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.348 12.298 -2.023 1.00 1.05 H new ATOM 7 N LEU A 23 -3.207 10.332 -2.268 1.00 0.75 N ATOM 8 CA LEU A 23 -2.743 8.967 -2.464 1.00 0.62 C ATOM 9 C LEU A 23 -2.663 8.223 -1.141 1.00 0.51 C ATOM 10 O LEU A 23 -2.455 8.825 -0.086 1.00 0.59 O ATOM 11 CB LEU A 23 -1.364 8.954 -3.130 1.00 0.75 C ATOM 12 CG LEU A 23 -1.305 9.530 -4.543 1.00 1.22 C ATOM 13 CD1 LEU A 23 0.122 9.513 -5.049 1.00 1.78 C ATOM 14 CD2 LEU A 23 -2.204 8.750 -5.487 1.00 1.91 C ATOM 0 H LEU A 23 -2.760 10.823 -1.493 1.00 0.75 H new ATOM 0 HA LEU A 23 -3.463 8.467 -3.112 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.672 9.513 -2.500 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -1.006 7.925 -3.162 1.00 0.75 H new ATOM 0 HG LEU A 23 -1.661 10.560 -4.508 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.155 9.925 -6.057 1.00 1.78 H new ATOM 0 HD12 LEU A 23 0.749 10.114 -4.390 1.00 1.78 H new ATOM 0 HD13 LEU A 23 0.490 8.487 -5.064 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -2.143 9.181 -6.486 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -1.881 7.709 -5.520 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -3.234 8.799 -5.133 1.00 1.91 H new ATOM 26 N LEU A 24 -2.833 6.917 -1.211 1.00 0.40 N ATOM 27 CA LEU A 24 -2.683 6.051 -0.055 1.00 0.39 C ATOM 28 C LEU A 24 -1.830 4.859 -0.449 1.00 0.38 C ATOM 29 O LEU A 24 -1.971 4.338 -1.553 1.00 0.50 O ATOM 30 CB LEU A 24 -4.052 5.580 0.443 1.00 0.44 C ATOM 31 CG LEU A 24 -4.035 4.683 1.684 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.567 5.457 2.905 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.411 4.089 1.932 1.00 1.24 C ATOM 0 H LEU A 24 -3.079 6.425 -2.070 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.201 6.601 0.753 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.661 6.458 0.660 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.546 5.041 -0.365 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.332 3.870 1.503 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -3.563 4.799 3.774 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.559 5.835 2.732 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.242 6.293 3.086 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.379 3.455 2.818 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.132 4.892 2.087 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.711 3.493 1.070 1.00 1.24 H new ATOM 45 N VAL A 25 -0.932 4.441 0.425 1.00 0.37 N ATOM 46 CA VAL A 25 -0.051 3.331 0.112 1.00 0.40 C ATOM 47 C VAL A 25 -0.201 2.219 1.146 1.00 0.42 C ATOM 48 O VAL A 25 0.005 2.432 2.339 1.00 0.56 O ATOM 49 CB VAL A 25 1.429 3.774 0.047 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.305 2.643 -0.474 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.588 5.015 -0.821 1.00 0.84 C ATOM 0 H VAL A 25 -0.794 4.849 1.349 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.342 2.959 -0.870 1.00 0.40 H new ATOM 0 HB VAL A 25 1.751 4.023 1.058 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.343 2.975 -0.512 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.223 1.783 0.191 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.977 2.360 -1.474 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.638 5.306 -0.851 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.243 4.799 -1.832 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.997 5.830 -0.403 1.00 0.84 H new ATOM 61 N LEU A 26 -0.575 1.036 0.690 1.00 0.46 N ATOM 62 CA LEU A 26 -0.685 -0.115 1.569 1.00 0.57 C ATOM 63 C LEU A 26 0.566 -0.962 1.418 1.00 0.51 C ATOM 64 O LEU A 26 1.050 -1.164 0.307 1.00 0.58 O ATOM 65 CB LEU A 26 -1.927 -0.948 1.226 1.00 0.75 C ATOM 66 CG LEU A 26 -3.251 -0.176 1.119 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.385 -1.109 0.717 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.597 0.517 2.425 1.00 1.00 C ATOM 0 H LEU A 26 -0.808 0.847 -0.285 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.785 0.227 2.599 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.748 -1.456 0.278 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.041 -1.722 1.985 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.123 0.585 0.350 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.314 -0.543 0.647 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.160 -1.559 -0.250 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.494 -1.893 1.466 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.539 1.054 2.314 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.694 -0.226 3.217 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.807 1.222 2.683 1.00 1.00 H new ATOM 80 N ILE A 27 1.098 -1.445 2.524 1.00 0.50 N ATOM 81 CA ILE A 27 2.338 -2.196 2.489 1.00 0.49 C ATOM 82 C ILE A 27 2.242 -3.438 3.363 1.00 0.51 C ATOM 83 O ILE A 27 1.828 -3.365 4.521 1.00 0.72 O ATOM 84 CB ILE A 27 3.534 -1.319 2.939 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.834 -2.130 2.931 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.281 -0.720 4.321 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.057 -1.323 3.315 1.00 0.96 C ATOM 0 H ILE A 27 0.694 -1.332 3.454 1.00 0.50 H new ATOM 0 HA ILE A 27 2.508 -2.506 1.458 1.00 0.49 H new ATOM 0 HB ILE A 27 3.638 -0.499 2.228 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.733 -2.969 3.619 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.984 -2.550 1.936 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.135 -0.109 4.614 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.385 -0.101 4.291 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.143 -1.522 5.046 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.939 -1.963 3.287 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.184 -0.499 2.613 1.00 0.96 H new ATOM 0 HD13 ILE A 27 5.929 -0.925 4.322 1.00 0.96 H new ATOM 99 N TRP A 28 2.593 -4.583 2.801 1.00 0.45 N ATOM 100 CA TRP A 28 2.650 -5.800 3.584 1.00 0.48 C ATOM 101 C TRP A 28 3.795 -6.686 3.107 1.00 0.48 C ATOM 102 O TRP A 28 3.663 -7.457 2.152 1.00 0.49 O ATOM 103 CB TRP A 28 1.315 -6.542 3.492 1.00 0.56 C ATOM 104 CG TRP A 28 1.166 -7.647 4.491 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.873 -7.516 5.817 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.292 -9.051 4.244 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.810 -8.752 6.409 1.00 2.09 N ATOM 108 CE2 TRP A 28 1.064 -9.711 5.465 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.574 -9.814 3.108 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.109 -11.096 5.581 1.00 2.26 C ATOM 111 CZ3 TRP A 28 1.619 -11.188 3.226 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.387 -11.817 4.453 1.00 2.06 C ATOM 0 H TRP A 28 2.840 -4.693 1.817 1.00 0.45 H new ATOM 0 HA TRP A 28 2.833 -5.542 4.627 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.503 -5.828 3.631 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.208 -6.955 2.489 1.00 0.56 H new ATOM 0 HD1 TRP A 28 0.714 -6.577 6.326 1.00 1.53 H new ATOM 0 HE1 TRP A 28 0.607 -8.928 7.393 1.00 2.09 H new ATOM 0 HE3 TRP A 28 1.753 -9.337 2.156 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.931 -11.584 6.528 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 1.837 -11.788 2.355 1.00 1.61 H new ATOM 0 HH2 TRP A 28 1.428 -12.895 4.511 1.00 2.06 H new ATOM 123 N SER A 29 4.926 -6.530 3.768 1.00 0.50 N ATOM 124 CA SER A 29 6.079 -7.392 3.592 1.00 0.54 C ATOM 125 C SER A 29 6.774 -7.515 4.936 1.00 0.60 C ATOM 126 O SER A 29 6.931 -6.509 5.626 1.00 0.87 O ATOM 127 CB SER A 29 7.033 -6.804 2.544 1.00 0.57 C ATOM 128 OG SER A 29 8.152 -7.648 2.328 1.00 1.29 O ATOM 0 H SER A 29 5.072 -5.789 4.453 1.00 0.50 H new ATOM 0 HA SER A 29 5.767 -8.374 3.237 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.499 -6.659 1.605 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.374 -5.822 2.872 1.00 0.57 H new ATOM 0 HG SER A 29 8.561 -7.434 1.464 1.00 1.29 H new ATOM 134 N ASN A 30 7.180 -8.708 5.339 1.00 0.65 N ATOM 135 CA ASN A 30 7.906 -8.825 6.593 1.00 0.69 C ATOM 136 C ASN A 30 9.395 -8.641 6.336 1.00 0.68 C ATOM 137 O ASN A 30 10.173 -9.594 6.346 1.00 0.75 O ATOM 138 CB ASN A 30 7.641 -10.181 7.259 1.00 0.81 C ATOM 139 CG ASN A 30 8.258 -10.277 8.645 1.00 1.55 C ATOM 140 OD1 ASN A 30 9.412 -10.683 8.803 1.00 2.33 O ATOM 141 ND2 ASN A 30 7.495 -9.911 9.662 1.00 2.23 N ATOM 0 H ASN A 30 7.027 -9.582 4.836 1.00 0.65 H new ATOM 0 HA ASN A 30 7.558 -8.048 7.273 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.566 -10.343 7.331 1.00 0.81 H new ATOM 0 HB3 ASN A 30 8.042 -10.976 6.630 1.00 0.81 H new ATOM 0 HD21 ASN A 30 7.857 -9.960 10.614 1.00 2.23 H new ATOM 0 HD22 ASN A 30 6.545 -9.580 9.494 1.00 2.23 H new ATOM 148 N ASP A 31 9.778 -7.404 6.080 1.00 0.63 N ATOM 149 CA ASP A 31 11.176 -7.054 5.913 1.00 0.64 C ATOM 150 C ASP A 31 11.605 -6.087 7.006 1.00 0.65 C ATOM 151 O ASP A 31 10.761 -5.474 7.659 1.00 0.78 O ATOM 152 CB ASP A 31 11.423 -6.452 4.533 1.00 0.67 C ATOM 153 CG ASP A 31 12.897 -6.329 4.216 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.511 -7.343 3.826 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.456 -5.229 4.369 1.00 1.13 O ATOM 0 H ASP A 31 9.134 -6.619 5.983 1.00 0.63 H new ATOM 0 HA ASP A 31 11.774 -7.962 5.994 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.942 -7.072 3.777 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.959 -5.467 4.480 1.00 0.67 H new ATOM 160 N LYS A 32 12.900 -5.955 7.222 1.00 0.69 N ATOM 161 CA LYS A 32 13.411 -4.973 8.165 1.00 0.77 C ATOM 162 C LYS A 32 13.476 -3.587 7.517 1.00 0.71 C ATOM 163 O LYS A 32 12.793 -2.652 7.940 1.00 0.77 O ATOM 164 CB LYS A 32 14.798 -5.384 8.679 1.00 0.97 C ATOM 165 CG LYS A 32 14.793 -6.350 9.869 1.00 1.52 C ATOM 166 CD LYS A 32 14.191 -7.714 9.540 1.00 2.06 C ATOM 167 CE LYS A 32 12.699 -7.770 9.837 1.00 2.28 C ATOM 168 NZ LYS A 32 12.112 -9.101 9.511 1.00 3.05 N ATOM 0 H LYS A 32 13.618 -6.513 6.759 1.00 0.69 H new ATOM 0 HA LYS A 32 12.727 -4.929 9.013 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.350 -5.845 7.860 1.00 0.97 H new ATOM 0 HB3 LYS A 32 15.343 -4.484 8.964 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.816 -6.488 10.220 1.00 1.52 H new ATOM 0 HG3 LYS A 32 14.232 -5.902 10.689 1.00 1.52 H new ATOM 0 HD2 LYS A 32 14.359 -7.939 8.487 1.00 2.06 H new ATOM 0 HD3 LYS A 32 14.704 -8.484 10.116 1.00 2.06 H new ATOM 0 HE2 LYS A 32 12.531 -7.549 10.891 1.00 2.28 H new ATOM 0 HE3 LYS A 32 12.186 -6.998 9.263 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 11.095 -9.095 9.729 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 12.249 -9.302 8.500 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 12.582 -9.836 10.077 1.00 3.05 H new ATOM 182 N LYS A 33 14.264 -3.480 6.456 1.00 0.71 N ATOM 183 CA LYS A 33 14.573 -2.190 5.844 1.00 0.75 C ATOM 184 C LYS A 33 13.459 -1.702 4.928 1.00 0.64 C ATOM 185 O LYS A 33 13.179 -0.507 4.883 1.00 0.63 O ATOM 186 CB LYS A 33 15.876 -2.271 5.046 1.00 0.94 C ATOM 187 CG LYS A 33 17.117 -2.462 5.899 1.00 1.55 C ATOM 188 CD LYS A 33 17.296 -1.319 6.885 1.00 2.09 C ATOM 189 CE LYS A 33 18.670 -1.349 7.532 1.00 2.72 C ATOM 190 NZ LYS A 33 19.755 -1.142 6.534 1.00 3.16 N ATOM 0 H LYS A 33 14.705 -4.277 5.996 1.00 0.71 H new ATOM 0 HA LYS A 33 14.679 -1.476 6.661 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.805 -3.097 4.338 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.988 -1.358 4.461 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.045 -3.404 6.442 1.00 1.55 H new ATOM 0 HG3 LYS A 33 17.995 -2.530 5.256 1.00 1.55 H new ATOM 0 HD2 LYS A 33 17.156 -0.368 6.370 1.00 2.09 H new ATOM 0 HD3 LYS A 33 16.528 -1.380 7.657 1.00 2.09 H new ATOM 0 HE2 LYS A 33 18.728 -0.576 8.298 1.00 2.72 H new ATOM 0 HE3 LYS A 33 18.815 -2.306 8.033 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 20.372 -0.366 6.848 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 20.314 -2.014 6.443 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.338 -0.901 5.612 1.00 3.16 H new ATOM 204 N LEU A 34 12.835 -2.626 4.201 1.00 0.62 N ATOM 205 CA LEU A 34 11.813 -2.276 3.215 1.00 0.61 C ATOM 206 C LEU A 34 10.743 -1.394 3.851 1.00 0.54 C ATOM 207 O LEU A 34 10.451 -0.309 3.353 1.00 0.61 O ATOM 208 CB LEU A 34 11.189 -3.561 2.626 1.00 0.66 C ATOM 209 CG LEU A 34 10.377 -3.439 1.316 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.031 -4.824 0.795 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.096 -2.640 1.517 1.00 1.59 C ATOM 0 H LEU A 34 13.019 -3.626 4.276 1.00 0.62 H new ATOM 0 HA LEU A 34 12.277 -1.714 2.405 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.995 -4.275 2.454 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.536 -3.993 3.384 1.00 0.66 H new ATOM 0 HG LEU A 34 10.996 -2.909 0.592 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.459 -4.733 -0.128 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.949 -5.379 0.600 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.437 -5.355 1.539 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.554 -2.577 0.573 1.00 1.59 H new ATOM 0 HD22 LEU A 34 8.472 -3.134 2.261 1.00 1.59 H new ATOM 0 HD23 LEU A 34 9.344 -1.636 1.860 1.00 1.59 H new ATOM 223 N ILE A 35 10.190 -1.853 4.964 1.00 0.48 N ATOM 224 CA ILE A 35 9.122 -1.126 5.638 1.00 0.49 C ATOM 225 C ILE A 35 9.630 0.212 6.170 1.00 0.48 C ATOM 226 O ILE A 35 8.957 1.236 6.049 1.00 0.53 O ATOM 227 CB ILE A 35 8.533 -1.939 6.810 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.234 -3.374 6.378 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.262 -1.277 7.321 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.800 -4.262 7.520 1.00 1.01 C ATOM 0 H ILE A 35 10.462 -2.724 5.420 1.00 0.48 H new ATOM 0 HA ILE A 35 8.339 -0.955 4.899 1.00 0.49 H new ATOM 0 HB ILE A 35 9.271 -1.965 7.612 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.452 -3.362 5.618 1.00 0.61 H new ATOM 0 HG13 ILE A 35 9.124 -3.799 5.914 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.855 -1.860 8.148 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.490 -0.268 7.665 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.528 -1.228 6.516 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.603 -5.267 7.145 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.590 -4.303 8.270 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.893 -3.859 7.970 1.00 1.01 H new ATOM 242 N GLU A 36 10.831 0.195 6.740 1.00 0.50 N ATOM 243 CA GLU A 36 11.411 1.390 7.340 1.00 0.53 C ATOM 244 C GLU A 36 11.710 2.461 6.293 1.00 0.48 C ATOM 245 O GLU A 36 11.271 3.606 6.428 1.00 0.51 O ATOM 246 CB GLU A 36 12.682 1.041 8.115 1.00 0.66 C ATOM 247 CG GLU A 36 12.416 0.302 9.418 1.00 1.22 C ATOM 248 CD GLU A 36 13.673 0.095 10.239 1.00 1.73 C ATOM 249 OE1 GLU A 36 14.042 -1.070 10.498 1.00 2.62 O ATOM 250 OE2 GLU A 36 14.303 1.103 10.631 1.00 2.01 O ATOM 0 H GLU A 36 11.422 -0.635 6.799 1.00 0.50 H new ATOM 0 HA GLU A 36 10.674 1.797 8.032 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.326 0.428 7.484 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.229 1.959 8.332 1.00 0.66 H new ATOM 0 HG2 GLU A 36 11.690 0.862 10.007 1.00 1.22 H new ATOM 0 HG3 GLU A 36 11.968 -0.667 9.197 1.00 1.22 H new ATOM 257 N GLU A 37 12.442 2.091 5.247 1.00 0.48 N ATOM 258 CA GLU A 37 12.824 3.048 4.213 1.00 0.51 C ATOM 259 C GLU A 37 11.608 3.542 3.442 1.00 0.44 C ATOM 260 O GLU A 37 11.528 4.721 3.088 1.00 0.48 O ATOM 261 CB GLU A 37 13.838 2.446 3.241 1.00 0.65 C ATOM 262 CG GLU A 37 15.197 2.170 3.859 1.00 0.80 C ATOM 263 CD GLU A 37 16.263 1.933 2.812 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.709 0.779 2.654 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.660 2.909 2.135 1.00 1.55 O ATOM 0 H GLU A 37 12.781 1.141 5.093 1.00 0.48 H new ATOM 0 HA GLU A 37 13.287 3.894 4.720 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.435 1.515 2.843 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.965 3.125 2.398 1.00 0.65 H new ATOM 0 HG2 GLU A 37 15.487 3.013 4.486 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.128 1.298 4.509 1.00 0.80 H new ATOM 272 N ALA A 38 10.662 2.644 3.184 1.00 0.40 N ATOM 273 CA ALA A 38 9.441 3.013 2.485 1.00 0.42 C ATOM 274 C ALA A 38 8.653 4.031 3.295 1.00 0.39 C ATOM 275 O ALA A 38 8.062 4.957 2.739 1.00 0.42 O ATOM 276 CB ALA A 38 8.584 1.789 2.201 1.00 0.50 C ATOM 0 H ALA A 38 10.719 1.660 3.448 1.00 0.40 H new ATOM 0 HA ALA A 38 9.720 3.462 1.532 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.677 2.093 1.678 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.144 1.089 1.581 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.316 1.306 3.141 1.00 0.50 H new ATOM 282 N ARG A 39 8.669 3.867 4.614 1.00 0.41 N ATOM 283 CA ARG A 39 7.955 4.772 5.498 1.00 0.50 C ATOM 284 C ARG A 39 8.552 6.169 5.419 1.00 0.46 C ATOM 285 O ARG A 39 7.842 7.137 5.160 1.00 0.52 O ATOM 286 CB ARG A 39 7.980 4.261 6.938 1.00 0.62 C ATOM 287 CG ARG A 39 6.954 4.942 7.827 1.00 1.18 C ATOM 288 CD ARG A 39 6.925 4.339 9.220 1.00 1.43 C ATOM 289 NE ARG A 39 6.765 2.884 9.194 1.00 1.88 N ATOM 290 CZ ARG A 39 5.589 2.256 9.156 1.00 2.58 C ATOM 291 NH1 ARG A 39 4.456 2.945 9.076 1.00 2.84 N ATOM 292 NH2 ARG A 39 5.549 0.931 9.185 1.00 3.48 N ATOM 0 H ARG A 39 9.169 3.116 5.090 1.00 0.41 H new ATOM 0 HA ARG A 39 6.916 4.817 5.173 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.798 3.186 6.940 1.00 0.62 H new ATOM 0 HB3 ARG A 39 8.975 4.416 7.356 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.182 6.006 7.896 1.00 1.18 H new ATOM 0 HG3 ARG A 39 5.967 4.857 7.373 1.00 1.18 H new ATOM 0 HD2 ARG A 39 7.848 4.591 9.742 1.00 1.43 H new ATOM 0 HD3 ARG A 39 6.107 4.782 9.788 1.00 1.43 H new ATOM 0 HE ARG A 39 7.610 2.312 9.206 1.00 1.88 H new ATOM 0 HH11 ARG A 39 4.480 3.964 9.043 1.00 2.84 H new ATOM 0 HH12 ARG A 39 3.562 2.455 9.048 1.00 2.84 H new ATOM 0 HH21 ARG A 39 6.416 0.396 9.236 1.00 3.48 H new ATOM 0 HH22 ARG A 39 4.652 0.447 9.156 1.00 3.48 H new ATOM 306 N LYS A 40 9.863 6.262 5.616 1.00 0.45 N ATOM 307 CA LYS A 40 10.566 7.535 5.516 1.00 0.49 C ATOM 308 C LYS A 40 10.304 8.207 4.173 1.00 0.42 C ATOM 309 O LYS A 40 10.068 9.413 4.109 1.00 0.47 O ATOM 310 CB LYS A 40 12.074 7.340 5.698 1.00 0.62 C ATOM 311 CG LYS A 40 12.545 7.419 7.142 1.00 1.06 C ATOM 312 CD LYS A 40 12.064 6.246 7.980 1.00 1.58 C ATOM 313 CE LYS A 40 12.526 6.381 9.424 1.00 2.12 C ATOM 314 NZ LYS A 40 12.070 5.243 10.265 1.00 2.95 N ATOM 0 H LYS A 40 10.461 5.468 5.846 1.00 0.45 H new ATOM 0 HA LYS A 40 10.187 8.177 6.311 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.355 6.370 5.289 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.599 8.096 5.115 1.00 0.62 H new ATOM 0 HG2 LYS A 40 13.634 7.453 7.163 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.188 8.348 7.586 1.00 1.06 H new ATOM 0 HD2 LYS A 40 10.976 6.192 7.946 1.00 1.58 H new ATOM 0 HD3 LYS A 40 12.442 5.314 7.559 1.00 1.58 H new ATOM 0 HE2 LYS A 40 13.614 6.439 9.452 1.00 2.12 H new ATOM 0 HE3 LYS A 40 12.146 7.314 9.840 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 12.406 5.375 11.240 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 11.031 5.202 10.260 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 12.453 4.354 9.884 1.00 2.95 H new ATOM 328 N MET A 41 10.334 7.414 3.108 1.00 0.39 N ATOM 329 CA MET A 41 10.165 7.933 1.754 1.00 0.41 C ATOM 330 C MET A 41 8.739 8.441 1.523 1.00 0.42 C ATOM 331 O MET A 41 8.530 9.444 0.837 1.00 0.52 O ATOM 332 CB MET A 41 10.515 6.850 0.729 1.00 0.48 C ATOM 333 CG MET A 41 10.738 7.391 -0.673 1.00 0.69 C ATOM 334 SD MET A 41 12.076 8.600 -0.730 1.00 1.10 S ATOM 335 CE MET A 41 11.997 9.106 -2.445 1.00 1.55 C ATOM 0 H MET A 41 10.474 6.405 3.156 1.00 0.39 H new ATOM 0 HA MET A 41 10.843 8.777 1.630 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.415 6.329 1.056 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.712 6.113 0.702 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.967 6.566 -1.347 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.818 7.852 -1.034 1.00 0.69 H new ATOM 0 HE1 MET A 41 12.830 9.773 -2.666 1.00 1.55 H new ATOM 0 HE2 MET A 41 12.056 8.227 -3.087 1.00 1.55 H new ATOM 0 HE3 MET A 41 11.057 9.627 -2.628 1.00 1.55 H new ATOM 345 N ALA A 42 7.765 7.750 2.100 1.00 0.40 N ATOM 346 CA ALA A 42 6.364 8.125 1.961 1.00 0.49 C ATOM 347 C ALA A 42 6.037 9.355 2.798 1.00 0.51 C ATOM 348 O ALA A 42 5.289 10.231 2.361 1.00 0.59 O ATOM 349 CB ALA A 42 5.473 6.961 2.360 1.00 0.58 C ATOM 0 H ALA A 42 7.921 6.921 2.673 1.00 0.40 H new ATOM 0 HA ALA A 42 6.179 8.374 0.916 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.427 7.250 2.253 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.681 6.106 1.716 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.670 6.691 3.397 1.00 0.58 H new ATOM 355 N GLU A 43 6.607 9.420 3.997 1.00 0.50 N ATOM 356 CA GLU A 43 6.383 10.544 4.903 1.00 0.60 C ATOM 357 C GLU A 43 6.813 11.865 4.268 1.00 0.62 C ATOM 358 O GLU A 43 6.264 12.920 4.584 1.00 0.73 O ATOM 359 CB GLU A 43 7.141 10.331 6.215 1.00 0.67 C ATOM 360 CG GLU A 43 6.625 9.162 7.040 1.00 0.97 C ATOM 361 CD GLU A 43 5.231 9.395 7.580 1.00 1.62 C ATOM 362 OE1 GLU A 43 5.107 9.853 8.734 1.00 2.16 O ATOM 363 OE2 GLU A 43 4.251 9.117 6.861 1.00 2.38 O ATOM 0 H GLU A 43 7.232 8.703 4.367 1.00 0.50 H new ATOM 0 HA GLU A 43 5.314 10.594 5.108 1.00 0.60 H new ATOM 0 HB2 GLU A 43 8.196 10.169 5.992 1.00 0.67 H new ATOM 0 HB3 GLU A 43 7.078 11.241 6.812 1.00 0.67 H new ATOM 0 HG2 GLU A 43 6.626 8.261 6.426 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.306 8.981 7.872 1.00 0.97 H new ATOM 370 N LYS A 44 7.789 11.797 3.366 1.00 0.58 N ATOM 371 CA LYS A 44 8.285 12.983 2.674 1.00 0.66 C ATOM 372 C LYS A 44 7.178 13.635 1.855 1.00 0.66 C ATOM 373 O LYS A 44 7.022 14.855 1.859 1.00 0.70 O ATOM 374 CB LYS A 44 9.448 12.613 1.754 1.00 0.76 C ATOM 375 CG LYS A 44 10.626 11.991 2.479 1.00 1.29 C ATOM 376 CD LYS A 44 11.703 11.549 1.506 1.00 1.69 C ATOM 377 CE LYS A 44 12.852 10.871 2.227 1.00 2.09 C ATOM 378 NZ LYS A 44 13.907 10.418 1.285 1.00 2.20 N ATOM 0 H LYS A 44 8.253 10.930 3.097 1.00 0.58 H new ATOM 0 HA LYS A 44 8.630 13.692 3.427 1.00 0.66 H new ATOM 0 HB2 LYS A 44 9.092 11.917 0.995 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.786 13.508 1.232 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.043 12.711 3.184 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.286 11.135 3.062 1.00 1.29 H new ATOM 0 HD2 LYS A 44 11.276 10.864 0.774 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.075 12.413 0.955 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.284 11.562 2.951 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.475 10.016 2.788 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.624 9.871 1.803 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 13.481 9.820 0.549 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.356 11.245 0.842 1.00 2.20 H new ATOM 392 N ALA A 45 6.403 12.810 1.167 1.00 0.67 N ATOM 393 CA ALA A 45 5.337 13.298 0.305 1.00 0.74 C ATOM 394 C ALA A 45 3.994 13.251 1.022 1.00 0.73 C ATOM 395 O ALA A 45 2.942 13.468 0.415 1.00 0.81 O ATOM 396 CB ALA A 45 5.291 12.482 -0.977 1.00 0.82 C ATOM 0 H ALA A 45 6.493 11.794 1.189 1.00 0.67 H new ATOM 0 HA ALA A 45 5.544 14.338 0.052 1.00 0.74 H new ATOM 0 HB1 ALA A 45 4.490 12.854 -1.616 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.244 12.571 -1.499 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.106 11.435 -0.736 1.00 0.82 H new ATOM 402 N ASN A 46 4.054 12.971 2.322 1.00 0.69 N ATOM 403 CA ASN A 46 2.868 12.871 3.172 1.00 0.72 C ATOM 404 C ASN A 46 1.937 11.767 2.669 1.00 0.67 C ATOM 405 O ASN A 46 0.726 11.957 2.542 1.00 0.84 O ATOM 406 CB ASN A 46 2.133 14.220 3.243 1.00 0.87 C ATOM 407 CG ASN A 46 1.047 14.257 4.310 1.00 1.46 C ATOM 408 OD1 ASN A 46 0.023 14.920 4.143 1.00 2.13 O ATOM 409 ND2 ASN A 46 1.264 13.568 5.420 1.00 2.13 N ATOM 0 H ASN A 46 4.930 12.806 2.818 1.00 0.69 H new ATOM 0 HA ASN A 46 3.190 12.610 4.180 1.00 0.72 H new ATOM 0 HB2 ASN A 46 2.857 15.010 3.443 1.00 0.87 H new ATOM 0 HB3 ASN A 46 1.687 14.435 2.272 1.00 0.87 H new ATOM 0 HD21 ASN A 46 0.572 13.576 6.169 1.00 2.13 H new ATOM 0 HD22 ASN A 46 2.123 13.029 5.526 1.00 2.13 H new ATOM 416 N LEU A 47 2.514 10.613 2.368 1.00 0.51 N ATOM 417 CA LEU A 47 1.738 9.465 1.927 1.00 0.51 C ATOM 418 C LEU A 47 1.556 8.498 3.085 1.00 0.46 C ATOM 419 O LEU A 47 2.534 8.046 3.681 1.00 0.56 O ATOM 420 CB LEU A 47 2.428 8.746 0.761 1.00 0.58 C ATOM 421 CG LEU A 47 2.877 9.638 -0.398 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.502 8.801 -1.503 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.709 10.449 -0.942 1.00 1.18 C ATOM 0 H LEU A 47 3.519 10.447 2.421 1.00 0.51 H new ATOM 0 HA LEU A 47 0.766 9.820 1.584 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.300 8.219 1.148 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.747 7.990 0.370 1.00 0.58 H new ATOM 0 HG LEU A 47 3.628 10.332 -0.021 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.816 9.452 -2.319 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.368 8.268 -1.110 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.771 8.082 -1.873 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.053 11.075 -1.765 1.00 1.18 H new ATOM 0 HD22 LEU A 47 0.932 9.773 -1.300 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.304 11.080 -0.151 1.00 1.18 H new ATOM 435 N TYR A 48 0.311 8.192 3.409 1.00 0.49 N ATOM 436 CA TYR A 48 0.017 7.295 4.517 1.00 0.54 C ATOM 437 C TYR A 48 0.250 5.845 4.113 1.00 0.46 C ATOM 438 O TYR A 48 -0.237 5.399 3.072 1.00 0.58 O ATOM 439 CB TYR A 48 -1.432 7.466 4.982 1.00 0.64 C ATOM 440 CG TYR A 48 -1.771 8.861 5.459 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.554 9.232 6.779 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.313 9.801 4.591 1.00 1.31 C ATOM 443 CE1 TYR A 48 -1.870 10.501 7.221 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.629 11.072 5.028 1.00 1.43 C ATOM 445 CZ TYR A 48 -2.405 11.417 6.342 1.00 1.09 C ATOM 446 OH TYR A 48 -2.719 12.682 6.781 1.00 1.28 O ATOM 0 H TYR A 48 -0.511 8.550 2.923 1.00 0.49 H new ATOM 0 HA TYR A 48 0.688 7.549 5.337 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.099 7.203 4.161 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.628 6.761 5.790 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -1.132 8.517 7.470 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.490 9.534 3.560 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -1.699 10.775 8.252 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -3.050 11.792 4.342 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.085 13.205 6.037 1.00 1.28 H new ATOM 456 N LEU A 49 1.005 5.124 4.928 1.00 0.46 N ATOM 457 CA LEU A 49 1.195 3.697 4.726 1.00 0.46 C ATOM 458 C LEU A 49 0.374 2.922 5.730 1.00 0.50 C ATOM 459 O LEU A 49 0.294 3.292 6.902 1.00 0.61 O ATOM 460 CB LEU A 49 2.661 3.285 4.882 1.00 0.66 C ATOM 461 CG LEU A 49 3.621 3.687 3.763 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.983 3.944 4.359 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.738 2.593 2.707 1.00 1.35 C ATOM 0 H LEU A 49 1.496 5.505 5.736 1.00 0.46 H new ATOM 0 HA LEU A 49 0.876 3.473 3.708 1.00 0.46 H new ATOM 0 HB2 LEU A 49 3.033 3.708 5.815 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.698 2.201 4.986 1.00 0.66 H new ATOM 0 HG LEU A 49 3.232 4.584 3.281 1.00 0.81 H new ATOM 0 HD11 LEU A 49 5.677 4.232 3.569 1.00 1.76 H new ATOM 0 HD12 LEU A 49 4.914 4.748 5.092 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.344 3.038 4.847 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.429 2.913 1.927 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.111 1.679 3.170 1.00 1.35 H new ATOM 0 HD23 LEU A 49 2.758 2.404 2.269 1.00 1.35 H new ATOM 475 N LEU A 50 -0.212 1.839 5.268 1.00 0.52 N ATOM 476 CA LEU A 50 -1.053 1.012 6.111 1.00 0.63 C ATOM 477 C LEU A 50 -0.667 -0.451 5.963 1.00 0.69 C ATOM 478 O LEU A 50 -0.404 -0.926 4.856 1.00 0.69 O ATOM 479 CB LEU A 50 -2.527 1.209 5.752 1.00 0.77 C ATOM 480 CG LEU A 50 -3.032 2.652 5.840 1.00 0.81 C ATOM 481 CD1 LEU A 50 -4.502 2.725 5.464 1.00 1.24 C ATOM 482 CD2 LEU A 50 -2.813 3.214 7.235 1.00 1.48 C ATOM 0 H LEU A 50 -0.122 1.508 4.308 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.906 1.311 7.149 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.689 0.845 4.737 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -3.132 0.588 6.413 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.463 3.256 5.134 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -4.844 3.758 5.532 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -4.635 2.365 4.444 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -5.083 2.105 6.146 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -3.179 4.240 7.275 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -3.354 2.607 7.961 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -1.749 3.199 7.471 1.00 1.48 H new ATOM 494 N THR A 51 -0.615 -1.147 7.082 1.00 0.85 N ATOM 495 CA THR A 51 -0.298 -2.566 7.092 1.00 1.00 C ATOM 496 C THR A 51 -1.581 -3.378 6.927 1.00 1.38 C ATOM 497 O THR A 51 -2.659 -2.933 7.329 1.00 2.04 O ATOM 498 CB THR A 51 0.419 -2.957 8.401 1.00 1.42 C ATOM 499 OG1 THR A 51 1.391 -1.952 8.731 1.00 1.86 O ATOM 500 CG2 THR A 51 1.117 -4.304 8.262 1.00 2.07 C ATOM 0 H THR A 51 -0.790 -0.750 8.005 1.00 0.85 H new ATOM 0 HA THR A 51 0.374 -2.782 6.261 1.00 1.00 H new ATOM 0 HB THR A 51 -0.327 -3.034 9.192 1.00 1.42 H new ATOM 0 HG1 THR A 51 1.846 -2.198 9.563 1.00 1.86 H new ATOM 0 HG21 THR A 51 1.614 -4.555 9.199 1.00 2.07 H new ATOM 0 HG22 THR A 51 0.381 -5.072 8.025 1.00 2.07 H new ATOM 0 HG23 THR A 51 1.856 -4.250 7.463 1.00 2.07 H new ATOM 508 N LEU A 52 -1.473 -4.565 6.344 1.00 1.17 N ATOM 509 CA LEU A 52 -2.657 -5.331 5.982 1.00 1.66 C ATOM 510 C LEU A 52 -3.052 -6.291 7.096 1.00 1.10 C ATOM 511 O LEU A 52 -2.366 -7.279 7.372 1.00 1.25 O ATOM 512 CB LEU A 52 -2.453 -6.097 4.663 1.00 2.63 C ATOM 513 CG LEU A 52 -2.956 -5.408 3.373 1.00 2.95 C ATOM 514 CD1 LEU A 52 -4.308 -4.744 3.597 1.00 3.41 C ATOM 515 CD2 LEU A 52 -1.949 -4.402 2.820 1.00 3.43 C ATOM 0 H LEU A 52 -0.587 -5.014 6.114 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.469 -4.619 5.836 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.388 -6.298 4.548 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -2.952 -7.062 4.750 1.00 2.63 H new ATOM 0 HG LEU A 52 -3.073 -6.192 2.625 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.637 -4.268 2.673 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -5.038 -5.496 3.897 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -4.219 -3.992 4.381 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -2.350 -3.946 1.915 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -1.762 -3.628 3.564 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -1.015 -4.913 2.586 1.00 3.43 H new ATOM 527 N GLU A 53 -4.165 -5.960 7.733 1.00 1.35 N ATOM 528 CA GLU A 53 -4.743 -6.758 8.804 1.00 1.60 C ATOM 529 C GLU A 53 -6.178 -6.300 9.026 1.00 1.84 C ATOM 530 O GLU A 53 -7.124 -7.076 8.905 1.00 2.34 O ATOM 531 CB GLU A 53 -3.937 -6.600 10.096 1.00 2.04 C ATOM 532 CG GLU A 53 -4.568 -7.287 11.297 1.00 2.24 C ATOM 533 CD GLU A 53 -3.849 -6.972 12.588 1.00 2.43 C ATOM 534 OE1 GLU A 53 -3.050 -7.814 13.050 1.00 2.97 O ATOM 535 OE2 GLU A 53 -4.072 -5.877 13.147 1.00 2.75 O ATOM 0 H GLU A 53 -4.699 -5.118 7.518 1.00 1.35 H new ATOM 0 HA GLU A 53 -4.722 -7.811 8.523 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -2.936 -7.004 9.942 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -3.822 -5.538 10.315 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -5.610 -6.980 11.381 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -4.566 -8.365 11.137 1.00 2.24 H new ATOM 542 N THR A 54 -6.322 -5.026 9.343 1.00 1.76 N ATOM 543 CA THR A 54 -7.623 -4.403 9.467 1.00 1.96 C ATOM 544 C THR A 54 -7.922 -3.581 8.218 1.00 1.44 C ATOM 545 O THR A 54 -7.266 -2.576 7.949 1.00 1.41 O ATOM 546 CB THR A 54 -7.680 -3.511 10.721 1.00 2.58 C ATOM 547 OG1 THR A 54 -6.437 -2.812 10.876 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.956 -4.341 11.964 1.00 3.30 C ATOM 0 H THR A 54 -5.540 -4.396 9.521 1.00 1.76 H new ATOM 0 HA THR A 54 -8.377 -5.183 9.570 1.00 1.96 H new ATOM 0 HB THR A 54 -8.491 -2.794 10.596 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.478 -2.244 11.674 1.00 2.85 H new ATOM 0 HG21 THR A 54 -7.992 -3.689 12.837 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.912 -4.853 11.855 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.163 -5.077 12.093 1.00 3.30 H new ATOM 556 N ASP A 55 -8.905 -4.021 7.454 1.00 1.58 N ATOM 557 CA ASP A 55 -9.183 -3.429 6.152 1.00 1.57 C ATOM 558 C ASP A 55 -10.135 -2.236 6.253 1.00 1.40 C ATOM 559 O ASP A 55 -9.714 -1.089 6.107 1.00 1.25 O ATOM 560 CB ASP A 55 -9.747 -4.494 5.197 1.00 2.38 C ATOM 561 CG ASP A 55 -10.701 -5.460 5.883 1.00 3.04 C ATOM 562 OD1 ASP A 55 -11.875 -5.102 6.090 1.00 3.66 O ATOM 563 OD2 ASP A 55 -10.281 -6.590 6.202 1.00 3.51 O ATOM 0 H ASP A 55 -9.527 -4.788 7.711 1.00 1.58 H new ATOM 0 HA ASP A 55 -8.241 -3.053 5.753 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -10.267 -4.000 4.376 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -8.922 -5.056 4.759 1.00 2.38 H new ATOM 568 N ASP A 56 -11.405 -2.497 6.533 1.00 1.62 N ATOM 569 CA ASP A 56 -12.404 -1.435 6.587 1.00 1.72 C ATOM 570 C ASP A 56 -12.196 -0.526 7.789 1.00 1.47 C ATOM 571 O ASP A 56 -12.639 0.615 7.788 1.00 1.48 O ATOM 572 CB ASP A 56 -13.826 -2.004 6.605 1.00 2.15 C ATOM 573 CG ASP A 56 -14.343 -2.351 5.220 1.00 2.43 C ATOM 574 OD1 ASP A 56 -14.811 -1.437 4.505 1.00 2.98 O ATOM 575 OD2 ASP A 56 -14.306 -3.542 4.846 1.00 2.88 O ATOM 0 H ASP A 56 -11.768 -3.431 6.726 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.277 -0.841 5.682 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.846 -2.898 7.229 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -14.496 -1.278 7.066 1.00 2.15 H new ATOM 580 N LYS A 57 -11.526 -1.022 8.817 1.00 1.39 N ATOM 581 CA LYS A 57 -11.250 -0.197 9.984 1.00 1.42 C ATOM 582 C LYS A 57 -10.133 0.799 9.696 1.00 1.20 C ATOM 583 O LYS A 57 -10.334 2.012 9.767 1.00 1.27 O ATOM 584 CB LYS A 57 -10.867 -1.053 11.192 1.00 1.57 C ATOM 585 CG LYS A 57 -10.454 -0.221 12.396 1.00 1.98 C ATOM 586 CD LYS A 57 -10.038 -1.084 13.571 1.00 2.71 C ATOM 587 CE LYS A 57 -9.520 -0.233 14.721 1.00 3.40 C ATOM 588 NZ LYS A 57 -10.507 0.799 15.144 1.00 4.03 N ATOM 0 H LYS A 57 -11.168 -1.976 8.869 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.165 0.348 10.215 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -11.711 -1.686 11.466 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -10.047 -1.717 10.916 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -9.628 0.434 12.117 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.283 0.421 12.694 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -10.887 -1.678 13.908 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -9.264 -1.784 13.256 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -9.283 -0.876 15.569 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -8.592 0.255 14.421 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -10.198 1.229 16.039 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -10.575 1.535 14.412 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -11.438 0.355 15.277 1.00 4.03 H new ATOM 602 N LYS A 58 -8.961 0.279 9.362 1.00 1.07 N ATOM 603 CA LYS A 58 -7.771 1.105 9.210 1.00 1.04 C ATOM 604 C LYS A 58 -7.873 2.001 7.980 1.00 0.88 C ATOM 605 O LYS A 58 -7.640 3.212 8.059 1.00 0.87 O ATOM 606 CB LYS A 58 -6.531 0.210 9.117 1.00 1.18 C ATOM 607 CG LYS A 58 -5.225 0.974 8.976 1.00 1.64 C ATOM 608 CD LYS A 58 -4.041 0.033 8.802 1.00 2.25 C ATOM 609 CE LYS A 58 -3.788 -0.805 10.046 1.00 2.61 C ATOM 610 NZ LYS A 58 -3.441 0.034 11.224 1.00 2.99 N ATOM 0 H LYS A 58 -8.808 -0.715 9.190 1.00 1.07 H new ATOM 0 HA LYS A 58 -7.686 1.751 10.084 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.480 -0.415 10.008 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.642 -0.459 8.264 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -5.286 1.645 8.119 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -5.070 1.596 9.858 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -4.224 -0.626 7.953 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -3.148 0.614 8.569 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -4.676 -1.396 10.271 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -2.978 -1.508 9.851 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -3.065 -0.571 11.982 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -2.722 0.735 10.952 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.293 0.525 11.563 1.00 2.99 H new ATOM 624 N ILE A 59 -8.248 1.406 6.855 1.00 0.83 N ATOM 625 CA ILE A 59 -8.261 2.113 5.583 1.00 0.80 C ATOM 626 C ILE A 59 -9.368 3.166 5.523 1.00 0.74 C ATOM 627 O ILE A 59 -9.094 4.322 5.213 1.00 0.78 O ATOM 628 CB ILE A 59 -8.402 1.128 4.398 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.178 0.207 4.331 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.578 1.877 3.081 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.322 -0.927 3.337 1.00 1.33 C ATOM 0 H ILE A 59 -8.548 0.433 6.799 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.304 2.628 5.501 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.293 0.521 4.561 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.302 0.800 4.068 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.994 -0.211 5.321 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.675 1.161 2.265 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.475 2.494 3.130 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.710 2.512 2.905 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.418 -1.535 3.346 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -8.177 -1.545 3.611 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.475 -0.518 2.338 1.00 1.33 H new ATOM 643 N GLU A 60 -10.603 2.775 5.850 1.00 0.77 N ATOM 644 CA GLU A 60 -11.760 3.667 5.709 1.00 0.87 C ATOM 645 C GLU A 60 -11.551 4.989 6.442 1.00 0.85 C ATOM 646 O GLU A 60 -11.762 6.060 5.878 1.00 0.94 O ATOM 647 CB GLU A 60 -13.026 2.987 6.230 1.00 1.04 C ATOM 648 CG GLU A 60 -14.268 3.863 6.179 1.00 1.32 C ATOM 649 CD GLU A 60 -14.632 4.279 4.772 1.00 1.47 C ATOM 650 OE1 GLU A 60 -14.507 5.475 4.445 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.049 3.409 3.982 1.00 2.01 O ATOM 0 H GLU A 60 -10.828 1.849 6.214 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.872 3.883 4.647 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -13.207 2.084 5.646 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.859 2.672 7.260 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -15.106 3.325 6.622 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.104 4.754 6.786 1.00 1.32 H new ATOM 658 N ASP A 61 -11.114 4.898 7.689 1.00 0.82 N ATOM 659 CA ASP A 61 -10.939 6.072 8.545 1.00 0.88 C ATOM 660 C ASP A 61 -10.026 7.104 7.899 1.00 0.79 C ATOM 661 O ASP A 61 -10.367 8.289 7.808 1.00 0.83 O ATOM 662 CB ASP A 61 -10.374 5.663 9.906 1.00 0.99 C ATOM 663 CG ASP A 61 -11.449 5.500 10.962 1.00 1.55 C ATOM 664 OD1 ASP A 61 -12.210 4.509 10.901 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.526 6.358 11.871 1.00 2.05 O ATOM 0 H ASP A 61 -10.871 4.015 8.139 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.921 6.524 8.683 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -9.829 4.725 9.801 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.656 6.414 10.237 1.00 0.99 H new ATOM 670 N ILE A 62 -8.874 6.654 7.435 1.00 0.72 N ATOM 671 CA ILE A 62 -7.918 7.545 6.803 1.00 0.69 C ATOM 672 C ILE A 62 -8.397 7.942 5.411 1.00 0.68 C ATOM 673 O ILE A 62 -8.351 9.114 5.051 1.00 0.73 O ATOM 674 CB ILE A 62 -6.519 6.905 6.731 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.012 6.628 8.147 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.548 7.810 5.982 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.684 5.912 8.187 1.00 0.93 C ATOM 0 H ILE A 62 -8.578 5.679 7.484 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.843 8.443 7.416 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.587 5.964 6.184 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.921 7.573 8.682 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.753 6.031 8.678 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.566 7.338 5.944 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.912 7.974 4.968 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.470 8.767 6.498 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.389 5.750 9.224 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.774 4.951 7.681 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.929 6.517 7.685 1.00 0.93 H new ATOM 689 N LEU A 63 -8.886 6.965 4.653 1.00 0.68 N ATOM 690 CA LEU A 63 -9.413 7.193 3.307 1.00 0.76 C ATOM 691 C LEU A 63 -10.445 8.322 3.321 1.00 0.84 C ATOM 692 O LEU A 63 -10.411 9.231 2.490 1.00 0.94 O ATOM 693 CB LEU A 63 -10.079 5.894 2.814 1.00 0.85 C ATOM 694 CG LEU A 63 -10.028 5.579 1.308 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.814 6.582 0.459 1.00 1.57 C ATOM 696 CD2 LEU A 63 -8.591 5.471 0.824 1.00 1.89 C ATOM 0 H LEU A 63 -8.929 5.991 4.953 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.598 7.478 2.642 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.618 5.061 3.345 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -11.127 5.922 3.113 1.00 0.85 H new ATOM 0 HG LEU A 63 -10.516 4.613 1.179 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -10.739 6.306 -0.593 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -11.861 6.574 0.763 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.402 7.581 0.602 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -8.582 5.248 -0.243 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -8.075 6.415 1.002 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -8.084 4.673 1.366 1.00 1.89 H new ATOM 708 N LYS A 64 -11.349 8.252 4.292 1.00 0.89 N ATOM 709 CA LYS A 64 -12.403 9.244 4.466 1.00 1.05 C ATOM 710 C LYS A 64 -11.805 10.622 4.732 1.00 1.03 C ATOM 711 O LYS A 64 -12.394 11.648 4.388 1.00 1.13 O ATOM 712 CB LYS A 64 -13.299 8.813 5.632 1.00 1.22 C ATOM 713 CG LYS A 64 -14.423 9.778 5.964 1.00 1.64 C ATOM 714 CD LYS A 64 -15.178 9.317 7.199 1.00 2.17 C ATOM 715 CE LYS A 64 -16.223 10.327 7.637 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.877 9.923 8.910 1.00 3.41 N ATOM 0 H LYS A 64 -11.371 7.502 4.983 1.00 0.89 H new ATOM 0 HA LYS A 64 -12.996 9.309 3.554 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.732 7.840 5.398 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -12.679 8.681 6.519 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.016 10.775 6.132 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -15.108 9.851 5.119 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.661 8.362 6.993 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -14.473 9.149 8.013 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -15.756 11.304 7.762 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.977 10.432 6.857 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -17.585 10.636 9.178 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.344 9.002 8.783 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.160 9.847 9.660 1.00 3.41 H new ATOM 730 N SER A 65 -10.622 10.631 5.329 1.00 0.97 N ATOM 731 CA SER A 65 -9.940 11.867 5.667 1.00 1.06 C ATOM 732 C SER A 65 -9.262 12.484 4.440 1.00 1.03 C ATOM 733 O SER A 65 -9.053 13.697 4.393 1.00 1.13 O ATOM 734 CB SER A 65 -8.919 11.616 6.780 1.00 1.18 C ATOM 735 OG SER A 65 -9.542 11.036 7.920 1.00 1.65 O ATOM 0 H SER A 65 -10.113 9.787 5.590 1.00 0.97 H new ATOM 0 HA SER A 65 -10.684 12.579 6.024 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.132 10.955 6.415 1.00 1.18 H new ATOM 0 HB3 SER A 65 -8.442 12.555 7.060 1.00 1.18 H new ATOM 0 HG SER A 65 -9.752 10.097 7.736 1.00 1.65 H new ATOM 741 N LEU A 66 -8.917 11.664 3.442 1.00 0.97 N ATOM 742 CA LEU A 66 -8.358 12.209 2.204 1.00 1.05 C ATOM 743 C LEU A 66 -9.450 12.875 1.378 1.00 1.20 C ATOM 744 O LEU A 66 -9.254 13.968 0.851 1.00 1.55 O ATOM 745 CB LEU A 66 -7.667 11.138 1.343 1.00 1.00 C ATOM 746 CG LEU A 66 -6.315 10.599 1.848 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.510 11.687 2.535 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.494 9.405 2.768 1.00 1.38 C ATOM 0 H LEU A 66 -9.012 10.649 3.465 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.606 12.940 2.501 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.350 10.295 1.239 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.516 11.551 0.346 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.758 10.264 0.973 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.562 11.275 2.880 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -5.319 12.498 1.832 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.070 12.071 3.388 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.518 9.054 3.103 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -7.090 9.698 3.632 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -7.003 8.605 2.231 1.00 1.38 H new ATOM 760 N GLY A 67 -10.598 12.218 1.278 1.00 1.07 N ATOM 761 CA GLY A 67 -11.759 12.849 0.677 1.00 1.26 C ATOM 762 C GLY A 67 -12.165 12.228 -0.646 1.00 1.22 C ATOM 763 O GLY A 67 -12.859 11.207 -0.663 1.00 1.28 O ATOM 0 H GLY A 67 -10.747 11.262 1.601 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.597 12.787 1.371 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.549 13.908 0.524 1.00 1.26 H new ATOM 767 N PRO A 68 -11.760 12.838 -1.773 1.00 1.24 N ATOM 768 CA PRO A 68 -12.103 12.353 -3.119 1.00 1.29 C ATOM 769 C PRO A 68 -11.519 10.971 -3.408 1.00 1.15 C ATOM 770 O PRO A 68 -10.703 10.467 -2.638 1.00 0.99 O ATOM 771 CB PRO A 68 -11.470 13.399 -4.047 1.00 1.41 C ATOM 772 CG PRO A 68 -10.416 14.058 -3.230 1.00 1.56 C ATOM 773 CD PRO A 68 -10.937 14.058 -1.824 1.00 1.35 C ATOM 0 HA PRO A 68 -13.180 12.241 -3.246 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -11.045 12.932 -4.935 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -12.211 14.121 -4.390 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -9.472 13.517 -3.298 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -10.228 15.074 -3.578 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -10.128 14.029 -1.094 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -11.526 14.951 -1.612 1.00 1.35 H new ATOM 781 N PRO A 69 -11.948 10.332 -4.516 1.00 1.30 N ATOM 782 CA PRO A 69 -11.385 9.054 -4.958 1.00 1.26 C ATOM 783 C PRO A 69 -9.867 9.113 -5.060 1.00 1.05 C ATOM 784 O PRO A 69 -9.310 9.689 -5.999 1.00 1.17 O ATOM 785 CB PRO A 69 -12.006 8.845 -6.339 1.00 1.53 C ATOM 786 CG PRO A 69 -13.286 9.601 -6.289 1.00 1.89 C ATOM 787 CD PRO A 69 -13.029 10.793 -5.408 1.00 1.58 C ATOM 0 HA PRO A 69 -11.601 8.245 -4.260 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.354 9.220 -7.128 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.177 7.788 -6.542 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -13.594 9.913 -7.287 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -14.088 8.983 -5.886 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -12.727 11.664 -5.989 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -13.919 11.077 -4.847 1.00 1.58 H new ATOM 795 N VAL A 70 -9.206 8.527 -4.080 1.00 0.85 N ATOM 796 CA VAL A 70 -7.759 8.573 -3.994 1.00 0.67 C ATOM 797 C VAL A 70 -7.158 7.257 -4.467 1.00 0.60 C ATOM 798 O VAL A 70 -7.697 6.184 -4.198 1.00 0.66 O ATOM 799 CB VAL A 70 -7.296 8.894 -2.548 1.00 0.62 C ATOM 800 CG1 VAL A 70 -7.528 10.360 -2.216 1.00 0.99 C ATOM 801 CG2 VAL A 70 -8.024 8.020 -1.544 1.00 1.08 C ATOM 0 H VAL A 70 -9.654 8.008 -3.325 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.406 9.372 -4.645 1.00 0.67 H new ATOM 0 HB VAL A 70 -6.228 8.686 -2.489 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -7.195 10.559 -1.197 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -6.965 10.984 -2.910 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -8.590 10.589 -2.302 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.684 8.262 -0.537 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -9.097 8.198 -1.617 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -7.815 6.971 -1.755 1.00 1.08 H new ATOM 811 N LYS A 71 -6.058 7.349 -5.199 1.00 0.55 N ATOM 812 CA LYS A 71 -5.423 6.171 -5.770 1.00 0.54 C ATOM 813 C LYS A 71 -4.598 5.453 -4.713 1.00 0.43 C ATOM 814 O LYS A 71 -3.665 6.023 -4.143 1.00 0.41 O ATOM 815 CB LYS A 71 -4.531 6.558 -6.952 1.00 0.65 C ATOM 816 CG LYS A 71 -5.243 7.376 -8.017 1.00 1.27 C ATOM 817 CD LYS A 71 -4.303 7.742 -9.155 1.00 1.74 C ATOM 818 CE LYS A 71 -4.967 8.677 -10.153 1.00 2.14 C ATOM 819 NZ LYS A 71 -6.150 8.057 -10.805 1.00 2.53 N ATOM 0 H LYS A 71 -5.586 8.228 -5.412 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.205 5.501 -6.128 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.678 7.126 -6.581 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.135 5.651 -7.408 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -6.088 6.810 -8.409 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.648 8.284 -7.571 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -3.409 8.217 -8.750 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -3.979 6.835 -9.666 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -5.273 9.591 -9.644 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -4.243 8.964 -10.916 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -6.508 8.690 -11.548 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -5.876 7.147 -11.228 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -6.894 7.899 -10.096 1.00 2.53 H new ATOM 833 N ILE A 72 -4.960 4.215 -4.442 1.00 0.45 N ATOM 834 CA ILE A 72 -4.248 3.415 -3.464 1.00 0.43 C ATOM 835 C ILE A 72 -3.203 2.531 -4.136 1.00 0.41 C ATOM 836 O ILE A 72 -3.527 1.701 -4.984 1.00 0.50 O ATOM 837 CB ILE A 72 -5.215 2.532 -2.655 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.314 3.392 -2.028 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.457 1.763 -1.582 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.320 2.600 -1.229 1.00 1.00 C ATOM 0 H ILE A 72 -5.745 3.739 -4.886 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.749 4.107 -2.786 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.681 1.812 -3.328 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.854 4.138 -1.380 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.835 3.933 -2.818 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.154 1.143 -1.018 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.705 1.129 -2.052 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -3.969 2.466 -0.907 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.069 3.275 -0.815 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.807 1.872 -1.877 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.812 2.080 -0.417 1.00 1.00 H new ATOM 852 N LEU A 73 -1.952 2.727 -3.758 1.00 0.37 N ATOM 853 CA LEU A 73 -0.857 1.897 -4.231 1.00 0.37 C ATOM 854 C LEU A 73 -0.537 0.840 -3.183 1.00 0.37 C ATOM 855 O LEU A 73 -0.330 1.164 -2.018 1.00 0.46 O ATOM 856 CB LEU A 73 0.381 2.759 -4.504 1.00 0.43 C ATOM 857 CG LEU A 73 1.680 1.986 -4.789 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.690 1.427 -6.203 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.904 2.865 -4.549 1.00 1.22 C ATOM 0 H LEU A 73 -1.666 3.465 -3.115 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.151 1.409 -5.160 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.170 3.406 -5.355 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.547 3.408 -3.644 1.00 0.43 H new ATOM 0 HG LEU A 73 1.722 1.146 -4.095 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.621 0.886 -6.374 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.847 0.748 -6.332 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.609 2.245 -6.918 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.809 2.294 -4.758 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.863 3.733 -5.207 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.916 3.197 -3.511 1.00 1.22 H new ATOM 871 N VAL A 74 -0.518 -0.417 -3.585 1.00 0.40 N ATOM 872 CA VAL A 74 -0.246 -1.499 -2.650 1.00 0.40 C ATOM 873 C VAL A 74 1.074 -2.182 -2.976 1.00 0.39 C ATOM 874 O VAL A 74 1.264 -2.688 -4.082 1.00 0.47 O ATOM 875 CB VAL A 74 -1.376 -2.551 -2.650 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.132 -3.632 -1.603 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.722 -1.884 -2.432 1.00 1.16 C ATOM 0 H VAL A 74 -0.686 -0.716 -4.546 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.187 -1.051 -1.658 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.382 -3.035 -3.627 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -1.947 -4.356 -1.631 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.190 -4.138 -1.815 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.085 -3.176 -0.614 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.507 -2.640 -2.435 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.720 -1.366 -1.473 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -2.906 -1.166 -3.232 1.00 1.16 H new ATOM 887 N LEU A 75 1.979 -2.182 -2.013 1.00 0.38 N ATOM 888 CA LEU A 75 3.245 -2.878 -2.147 1.00 0.38 C ATOM 889 C LEU A 75 3.160 -4.201 -1.402 1.00 0.35 C ATOM 890 O LEU A 75 3.281 -4.249 -0.174 1.00 0.43 O ATOM 891 CB LEU A 75 4.390 -2.024 -1.588 1.00 0.48 C ATOM 892 CG LEU A 75 4.538 -0.635 -2.217 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.686 0.121 -1.567 1.00 1.67 C ATOM 894 CD2 LEU A 75 4.751 -0.742 -3.721 1.00 1.65 C ATOM 0 H LEU A 75 1.857 -1.702 -1.121 1.00 0.38 H new ATOM 0 HA LEU A 75 3.448 -3.063 -3.202 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.242 -1.905 -0.515 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.325 -2.567 -1.722 1.00 0.48 H new ATOM 0 HG LEU A 75 3.616 -0.081 -2.044 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.778 1.106 -2.025 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.490 0.233 -0.501 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.614 -0.434 -1.709 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.853 0.257 -4.146 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.656 -1.316 -3.920 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.896 -1.243 -4.175 1.00 1.65 H new ATOM 906 N LEU A 76 2.930 -5.271 -2.144 1.00 0.34 N ATOM 907 CA LEU A 76 2.681 -6.564 -1.539 1.00 0.42 C ATOM 908 C LEU A 76 3.842 -7.518 -1.787 1.00 0.41 C ATOM 909 O LEU A 76 4.352 -7.617 -2.906 1.00 0.48 O ATOM 910 CB LEU A 76 1.384 -7.157 -2.098 1.00 0.55 C ATOM 911 CG LEU A 76 0.865 -8.401 -1.375 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.449 -8.057 0.047 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.298 -9.013 -2.140 1.00 1.76 C ATOM 0 H LEU A 76 2.911 -5.268 -3.164 1.00 0.34 H new ATOM 0 HA LEU A 76 2.581 -6.426 -0.462 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.610 -6.390 -2.066 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.542 -7.407 -3.147 1.00 0.55 H new ATOM 0 HG LEU A 76 1.670 -9.134 -1.328 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.082 -8.954 0.546 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.307 -7.664 0.592 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.341 -7.306 0.023 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.656 -9.897 -1.612 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -1.106 -8.285 -2.218 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.033 -9.296 -3.139 1.00 1.76 H new ATOM 925 N GLU A 77 4.262 -8.199 -0.729 1.00 0.46 N ATOM 926 CA GLU A 77 5.288 -9.227 -0.826 1.00 0.49 C ATOM 927 C GLU A 77 4.690 -10.488 -1.446 1.00 0.49 C ATOM 928 O GLU A 77 3.487 -10.732 -1.336 1.00 0.59 O ATOM 929 CB GLU A 77 5.852 -9.526 0.572 1.00 0.61 C ATOM 930 CG GLU A 77 6.839 -10.684 0.631 1.00 0.63 C ATOM 931 CD GLU A 77 8.093 -10.440 -0.179 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.081 -10.716 -1.396 1.00 1.71 O ATOM 933 OE2 GLU A 77 9.103 -9.986 0.403 1.00 1.74 O ATOM 0 H GLU A 77 3.903 -8.055 0.215 1.00 0.46 H new ATOM 0 HA GLU A 77 6.101 -8.877 -1.462 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.344 -8.629 0.949 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.022 -9.741 1.245 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.115 -10.865 1.670 1.00 0.63 H new ATOM 0 HG3 GLU A 77 6.350 -11.588 0.268 1.00 0.63 H new ATOM 940 N ASP A 78 5.520 -11.287 -2.095 1.00 0.54 N ATOM 941 CA ASP A 78 5.041 -12.483 -2.762 1.00 0.61 C ATOM 942 C ASP A 78 5.314 -13.721 -1.922 1.00 0.63 C ATOM 943 O ASP A 78 6.341 -14.386 -2.068 1.00 0.72 O ATOM 944 CB ASP A 78 5.693 -12.620 -4.138 1.00 0.77 C ATOM 945 CG ASP A 78 5.166 -13.806 -4.918 1.00 1.06 C ATOM 946 OD1 ASP A 78 5.977 -14.526 -5.535 1.00 1.59 O ATOM 947 OD2 ASP A 78 3.933 -14.016 -4.931 1.00 1.85 O ATOM 0 H ASP A 78 6.525 -11.129 -2.173 1.00 0.54 H new ATOM 0 HA ASP A 78 3.963 -12.392 -2.891 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.520 -11.708 -4.710 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.772 -12.720 -4.016 1.00 0.77 H new ATOM 952 N THR A 79 4.392 -14.009 -1.027 1.00 0.61 N ATOM 953 CA THR A 79 4.417 -15.241 -0.270 1.00 0.72 C ATOM 954 C THR A 79 3.233 -16.107 -0.698 1.00 0.78 C ATOM 955 O THR A 79 2.343 -15.616 -1.392 1.00 0.84 O ATOM 956 CB THR A 79 4.355 -14.964 1.245 1.00 0.77 C ATOM 957 OG1 THR A 79 4.980 -13.704 1.537 1.00 1.04 O ATOM 958 CG2 THR A 79 5.068 -16.059 2.020 1.00 1.20 C ATOM 0 H THR A 79 3.607 -13.397 -0.805 1.00 0.61 H new ATOM 0 HA THR A 79 5.352 -15.763 -0.472 1.00 0.72 H new ATOM 0 HB THR A 79 3.307 -14.938 1.544 1.00 0.77 H new ATOM 0 HG1 THR A 79 4.936 -13.533 2.501 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.013 -15.844 3.087 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.591 -17.018 1.817 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.113 -16.101 1.712 1.00 1.20 H new ATOM 966 N LYS A 80 3.202 -17.369 -0.300 1.00 0.84 N ATOM 967 CA LYS A 80 2.108 -18.249 -0.698 1.00 0.92 C ATOM 968 C LYS A 80 0.770 -17.751 -0.155 1.00 0.88 C ATOM 969 O LYS A 80 -0.214 -17.652 -0.892 1.00 0.90 O ATOM 970 CB LYS A 80 2.375 -19.679 -0.233 1.00 1.09 C ATOM 971 CG LYS A 80 3.565 -20.320 -0.922 1.00 1.65 C ATOM 972 CD LYS A 80 3.722 -21.777 -0.525 1.00 2.05 C ATOM 973 CE LYS A 80 4.847 -22.443 -1.299 1.00 3.00 C ATOM 974 NZ LYS A 80 4.600 -22.422 -2.765 1.00 3.57 N ATOM 0 H LYS A 80 3.910 -17.805 0.290 1.00 0.84 H new ATOM 0 HA LYS A 80 2.051 -18.240 -1.786 1.00 0.92 H new ATOM 0 HB2 LYS A 80 2.544 -19.678 0.844 1.00 1.09 H new ATOM 0 HB3 LYS A 80 1.488 -20.285 -0.416 1.00 1.09 H new ATOM 0 HG2 LYS A 80 3.443 -20.248 -2.003 1.00 1.65 H new ATOM 0 HG3 LYS A 80 4.472 -19.773 -0.667 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.924 -21.845 0.544 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.788 -22.308 -0.708 1.00 2.05 H new ATOM 0 HE2 LYS A 80 5.787 -21.935 -1.082 1.00 3.00 H new ATOM 0 HE3 LYS A 80 4.957 -23.474 -0.964 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 5.193 -23.141 -3.227 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 3.598 -22.628 -2.951 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 4.836 -21.483 -3.143 1.00 3.57 H new ATOM 988 N ASP A 81 0.746 -17.407 1.126 1.00 0.90 N ATOM 989 CA ASP A 81 -0.470 -16.914 1.771 1.00 0.93 C ATOM 990 C ASP A 81 -0.812 -15.513 1.274 1.00 0.83 C ATOM 991 O ASP A 81 -1.969 -15.093 1.302 1.00 0.82 O ATOM 992 CB ASP A 81 -0.308 -16.904 3.295 1.00 1.08 C ATOM 993 CG ASP A 81 0.656 -15.839 3.781 1.00 1.46 C ATOM 994 OD1 ASP A 81 1.854 -15.910 3.436 1.00 2.24 O ATOM 995 OD2 ASP A 81 0.220 -14.935 4.520 1.00 2.00 O ATOM 0 H ASP A 81 1.556 -17.460 1.743 1.00 0.90 H new ATOM 0 HA ASP A 81 -1.287 -17.587 1.511 1.00 0.93 H new ATOM 0 HB2 ASP A 81 -1.282 -16.743 3.757 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.043 -17.882 3.624 1.00 1.08 H new ATOM 1000 N ALA A 82 0.210 -14.801 0.809 1.00 0.82 N ATOM 1001 CA ALA A 82 0.060 -13.441 0.306 1.00 0.82 C ATOM 1002 C ALA A 82 -0.809 -13.390 -0.949 1.00 0.82 C ATOM 1003 O ALA A 82 -1.245 -12.318 -1.369 1.00 0.84 O ATOM 1004 CB ALA A 82 1.424 -12.840 0.017 1.00 0.97 C ATOM 0 H ALA A 82 1.167 -15.152 0.771 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.441 -12.858 1.079 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.302 -11.824 -0.358 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.014 -12.820 0.933 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.937 -13.444 -0.732 1.00 0.97 H new ATOM 1010 N ASP A 83 -1.069 -14.547 -1.541 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.889 -14.609 -2.743 1.00 1.03 C ATOM 1012 C ASP A 83 -3.355 -14.519 -2.358 1.00 0.98 C ATOM 1013 O ASP A 83 -4.174 -13.949 -3.081 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.621 -15.898 -3.526 1.00 1.27 C ATOM 1015 CG ASP A 83 -2.401 -15.963 -4.828 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -1.910 -15.425 -5.845 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -3.495 -16.568 -4.848 1.00 2.33 O ATOM 0 H ASP A 83 -0.727 -15.450 -1.212 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.631 -13.769 -3.388 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.555 -15.973 -3.741 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.883 -16.756 -2.907 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.666 -15.060 -1.189 1.00 0.96 N ATOM 1023 CA LYS A 84 -5.019 -15.035 -0.668 1.00 1.04 C ATOM 1024 C LYS A 84 -5.390 -13.623 -0.225 1.00 0.94 C ATOM 1025 O LYS A 84 -6.467 -13.130 -0.554 1.00 1.04 O ATOM 1026 CB LYS A 84 -5.155 -16.009 0.506 1.00 1.17 C ATOM 1027 CG LYS A 84 -6.525 -15.998 1.161 1.00 1.67 C ATOM 1028 CD LYS A 84 -6.467 -16.581 2.563 1.00 2.01 C ATOM 1029 CE LYS A 84 -6.094 -18.055 2.558 1.00 2.47 C ATOM 1030 NZ LYS A 84 -7.096 -18.896 1.851 1.00 3.21 N ATOM 0 H LYS A 84 -2.991 -15.525 -0.581 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.701 -15.344 -1.460 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -4.940 -17.018 0.155 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.403 -15.765 1.256 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -6.902 -14.976 1.204 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -7.226 -16.571 0.554 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -5.740 -16.026 3.155 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -7.435 -16.455 3.047 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -5.121 -18.178 2.082 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -5.993 -18.404 3.586 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -6.897 -19.900 2.034 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -8.049 -18.664 2.196 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -7.043 -18.713 0.829 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.475 -12.964 0.490 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.736 -11.633 1.032 1.00 0.77 C ATOM 1046 C VAL A 85 -4.900 -10.624 -0.101 1.00 0.68 C ATOM 1047 O VAL A 85 -5.694 -9.688 -0.005 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.614 -11.183 2.004 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -2.288 -11.011 1.284 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -3.991 -9.901 2.727 1.00 1.16 C ATOM 0 H VAL A 85 -3.548 -13.332 0.706 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.665 -11.680 1.601 1.00 0.77 H new ATOM 0 HB VAL A 85 -3.497 -11.974 2.745 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -1.526 -10.695 1.996 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -1.993 -11.959 0.833 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -2.392 -10.256 0.505 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -3.184 -9.612 3.400 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -4.157 -9.108 1.998 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -4.903 -10.062 3.302 1.00 1.16 H new ATOM 1060 N LYS A 86 -4.162 -10.845 -1.186 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.286 -10.027 -2.380 1.00 0.59 C ATOM 1062 C LYS A 86 -5.716 -10.077 -2.902 1.00 0.69 C ATOM 1063 O LYS A 86 -6.323 -9.048 -3.182 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.324 -10.521 -3.464 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.460 -9.785 -4.787 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.608 -10.422 -5.871 1.00 1.07 C ATOM 1067 CE LYS A 86 -2.856 -9.774 -7.224 1.00 1.57 C ATOM 1068 NZ LYS A 86 -2.094 -10.446 -8.310 1.00 2.30 N ATOM 0 H LYS A 86 -3.469 -11.590 -1.258 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.034 -8.998 -2.124 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.301 -10.416 -3.104 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.495 -11.584 -3.631 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.505 -9.784 -5.098 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.165 -8.744 -4.657 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.554 -10.329 -5.609 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.829 -11.488 -5.930 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -3.921 -9.809 -7.453 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -2.573 -8.722 -7.180 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -2.291 -9.974 -9.216 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -1.076 -10.391 -8.105 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.382 -11.444 -8.370 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.252 -11.287 -3.001 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.589 -11.487 -3.535 1.00 0.89 C ATOM 1084 C LYS A 87 -8.666 -11.040 -2.554 1.00 0.88 C ATOM 1085 O LYS A 87 -9.717 -10.559 -2.969 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.795 -12.951 -3.926 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.577 -13.223 -5.409 1.00 1.85 C ATOM 1088 CD LYS A 87 -6.227 -12.715 -5.893 1.00 2.29 C ATOM 1089 CE LYS A 87 -6.028 -12.987 -7.376 1.00 3.21 C ATOM 1090 NZ LYS A 87 -7.134 -12.432 -8.203 1.00 3.93 N ATOM 0 H LYS A 87 -5.779 -12.145 -2.717 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.681 -10.866 -4.426 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.112 -13.573 -3.347 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.807 -13.252 -3.655 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -7.648 -14.295 -5.595 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -8.370 -12.747 -5.985 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -6.152 -11.644 -5.705 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -5.431 -13.195 -5.324 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -5.082 -12.553 -7.699 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -5.958 -14.062 -7.540 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -6.743 -12.019 -9.074 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -7.799 -13.193 -8.449 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -7.634 -11.696 -7.665 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.403 -11.178 -1.257 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.369 -10.755 -0.249 1.00 0.98 C ATOM 1106 C GLU A 88 -9.586 -9.254 -0.341 1.00 0.96 C ATOM 1107 O GLU A 88 -10.717 -8.781 -0.435 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.911 -11.136 1.163 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.742 -12.633 1.365 1.00 1.16 C ATOM 1110 CD GLU A 88 -8.697 -13.035 2.824 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -9.674 -13.658 3.292 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -7.692 -12.737 3.505 1.00 2.58 O ATOM 0 H GLU A 88 -7.541 -11.574 -0.883 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.309 -11.271 -0.444 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.964 -10.640 1.375 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.636 -10.760 1.885 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.565 -13.155 0.876 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.823 -12.958 0.876 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.488 -8.513 -0.352 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.541 -7.065 -0.466 1.00 0.93 C ATOM 1121 C ILE A 89 -9.068 -6.651 -1.838 1.00 0.87 C ATOM 1122 O ILE A 89 -9.834 -5.697 -1.958 1.00 0.91 O ATOM 1123 CB ILE A 89 -7.145 -6.442 -0.236 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.618 -6.806 1.158 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -7.189 -4.930 -0.414 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -7.511 -6.347 2.295 1.00 1.17 C ATOM 0 H ILE A 89 -7.545 -8.895 -0.283 1.00 0.91 H new ATOM 0 HA ILE A 89 -9.221 -6.696 0.302 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.463 -6.851 -0.982 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -6.497 -7.888 1.218 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.629 -6.367 1.287 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -6.195 -4.515 -0.247 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -7.516 -4.692 -1.426 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.887 -4.499 0.304 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -7.069 -6.642 3.247 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -7.612 -5.262 2.263 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -8.494 -6.806 2.193 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.679 -7.404 -2.859 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.063 -7.105 -4.242 1.00 0.79 C ATOM 1140 C GLU A 90 -10.574 -7.227 -4.433 1.00 0.79 C ATOM 1141 O GLU A 90 -11.212 -6.346 -5.019 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.325 -8.033 -5.218 1.00 0.83 C ATOM 1143 CG GLU A 90 -8.884 -8.040 -6.630 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.072 -8.918 -7.556 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.123 -8.405 -8.184 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -8.374 -10.123 -7.666 1.00 2.08 O ATOM 0 H GLU A 90 -8.093 -8.233 -2.759 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.777 -6.075 -4.454 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.277 -7.737 -5.258 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.354 -9.049 -4.825 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -9.916 -8.391 -6.610 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -8.901 -7.022 -7.018 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.146 -8.314 -3.929 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.579 -8.550 -4.062 1.00 0.93 C ATOM 1155 C LYS A 91 -13.369 -7.579 -3.194 1.00 0.96 C ATOM 1156 O LYS A 91 -14.426 -7.090 -3.600 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.933 -9.997 -3.702 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.344 -11.026 -4.657 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.780 -10.771 -6.093 1.00 1.93 C ATOM 1160 CE LYS A 91 -12.210 -11.807 -7.047 1.00 2.60 C ATOM 1161 NZ LYS A 91 -12.736 -13.170 -6.776 1.00 3.12 N ATOM 0 H LYS A 91 -10.642 -9.044 -3.426 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.850 -8.381 -5.104 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.581 -10.208 -2.692 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -14.018 -10.104 -3.690 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -11.256 -10.999 -4.596 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -12.656 -12.025 -4.353 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.868 -10.784 -6.150 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -12.456 -9.777 -6.400 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.449 -11.525 -8.072 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -11.123 -11.816 -6.964 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -12.471 -13.806 -7.555 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -12.333 -13.527 -5.886 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -13.772 -13.133 -6.697 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.849 -7.296 -2.007 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.465 -6.320 -1.119 1.00 1.17 C ATOM 1177 C LYS A 92 -13.470 -4.942 -1.761 1.00 1.08 C ATOM 1178 O LYS A 92 -14.489 -4.260 -1.767 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.728 -6.258 0.216 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.986 -7.447 1.127 1.00 1.59 C ATOM 1181 CD LYS A 92 -12.103 -7.396 2.363 1.00 1.81 C ATOM 1182 CE LYS A 92 -12.252 -6.080 3.115 1.00 2.18 C ATOM 1183 NZ LYS A 92 -13.612 -5.904 3.689 1.00 2.41 N ATOM 0 H LYS A 92 -12.002 -7.728 -1.637 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.493 -6.635 -0.940 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -11.657 -6.187 0.024 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -13.019 -5.346 0.737 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -14.034 -7.458 1.426 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -12.800 -8.373 0.582 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -12.358 -8.223 3.025 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -11.062 -7.531 2.071 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.514 -6.038 3.916 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -12.036 -5.252 2.439 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -13.638 -5.036 4.261 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -14.307 -5.832 2.919 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -13.844 -6.721 4.289 1.00 2.41 H new ATOM 1197 N ALA A 93 -12.327 -4.552 -2.318 1.00 0.98 N ATOM 1198 CA ALA A 93 -12.183 -3.253 -2.961 1.00 0.99 C ATOM 1199 C ALA A 93 -13.154 -3.106 -4.127 1.00 0.90 C ATOM 1200 O ALA A 93 -13.656 -2.013 -4.397 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.752 -3.054 -3.433 1.00 1.01 C ATOM 0 H ALA A 93 -11.482 -5.123 -2.336 1.00 0.98 H new ATOM 0 HA ALA A 93 -12.421 -2.483 -2.227 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.659 -2.079 -3.912 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -10.077 -3.105 -2.579 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.493 -3.835 -4.148 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.421 -4.218 -4.806 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.361 -4.233 -5.920 1.00 0.85 C ATOM 1209 C ARG A 94 -15.763 -3.869 -5.431 1.00 0.86 C ATOM 1210 O ARG A 94 -16.464 -3.071 -6.052 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.364 -5.612 -6.598 1.00 0.93 C ATOM 1212 CG ARG A 94 -15.147 -5.657 -7.903 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.984 -6.995 -8.616 1.00 1.63 C ATOM 1214 NE ARG A 94 -15.561 -8.109 -7.860 1.00 2.21 N ATOM 1215 CZ ARG A 94 -15.489 -9.388 -8.238 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -14.831 -9.727 -9.340 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -16.069 -10.330 -7.505 1.00 3.67 N ATOM 0 H ARG A 94 -12.997 -5.123 -4.602 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.048 -3.491 -6.655 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -13.334 -5.912 -6.793 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.784 -6.344 -5.908 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -16.203 -5.480 -7.699 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -14.809 -4.853 -8.557 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -15.459 -6.941 -9.596 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.924 -7.186 -8.785 1.00 1.63 H new ATOM 0 HE ARG A 94 -16.048 -7.894 -6.990 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -14.376 -9.009 -9.904 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -14.780 -10.706 -9.623 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -16.570 -10.077 -6.653 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -16.014 -11.307 -7.794 1.00 3.67 H new ATOM 1231 N LYS A 95 -16.157 -4.447 -4.301 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.456 -4.155 -3.695 1.00 1.02 C ATOM 1233 C LYS A 95 -17.406 -2.865 -2.880 1.00 1.02 C ATOM 1234 O LYS A 95 -18.420 -2.416 -2.343 1.00 1.15 O ATOM 1235 CB LYS A 95 -17.897 -5.309 -2.794 1.00 1.23 C ATOM 1236 CG LYS A 95 -18.109 -6.620 -3.531 1.00 1.55 C ATOM 1237 CD LYS A 95 -19.224 -6.516 -4.558 1.00 2.10 C ATOM 1238 CE LYS A 95 -19.508 -7.860 -5.207 1.00 2.52 C ATOM 1239 NZ LYS A 95 -20.588 -7.766 -6.225 1.00 3.34 N ATOM 0 H LYS A 95 -15.595 -5.123 -3.783 1.00 0.90 H new ATOM 0 HA LYS A 95 -18.177 -4.030 -4.503 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -17.147 -5.458 -2.017 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -18.824 -5.031 -2.293 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -17.184 -6.912 -4.028 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -18.347 -7.406 -2.814 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -20.129 -6.144 -4.078 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -18.948 -5.791 -5.324 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -18.599 -8.236 -5.676 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -19.793 -8.581 -4.440 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -20.752 -8.703 -6.645 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -21.463 -7.431 -5.773 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -20.306 -7.098 -6.970 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.228 -2.271 -2.798 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.025 -1.096 -1.950 1.00 1.03 C ATOM 1255 C LYS A 96 -15.982 0.176 -2.800 1.00 0.96 C ATOM 1256 O LYS A 96 -15.995 1.290 -2.274 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.730 -1.243 -1.118 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.434 -0.082 -0.186 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.280 -0.146 1.073 1.00 1.68 C ATOM 1260 CE LYS A 96 -14.920 0.974 2.030 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.612 0.841 3.337 1.00 2.17 N ATOM 0 H LYS A 96 -15.397 -2.577 -3.304 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.865 -1.019 -1.260 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.797 -2.156 -0.527 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -13.889 -1.366 -1.800 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -13.378 -0.091 0.084 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.622 0.858 -0.704 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -16.335 -0.078 0.809 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -15.135 -1.108 1.564 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -13.842 0.979 2.191 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -15.180 1.932 1.579 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.573 1.748 3.844 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -16.605 0.575 3.179 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -15.143 0.107 3.905 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.951 -0.014 -4.125 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.870 1.094 -5.080 1.00 0.86 C ATOM 1277 C ASN A 97 -14.598 1.901 -4.821 1.00 0.87 C ATOM 1278 O ASN A 97 -14.571 3.124 -4.933 1.00 1.04 O ATOM 1279 CB ASN A 97 -17.130 1.973 -4.988 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.276 2.949 -6.145 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -17.769 2.588 -7.216 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -16.895 4.197 -5.928 1.00 2.33 N ATOM 0 H ASN A 97 -15.981 -0.935 -4.562 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.822 0.699 -6.095 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -18.010 1.330 -4.952 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -17.106 2.532 -4.053 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -17.005 4.899 -6.660 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -16.491 4.458 -5.028 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.536 1.190 -4.478 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.291 1.819 -4.074 1.00 0.84 C ATOM 1291 C LEU A 98 -11.157 1.418 -5.016 1.00 0.71 C ATOM 1292 O LEU A 98 -10.866 0.228 -5.169 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.966 1.409 -2.635 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.833 2.182 -1.958 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.134 3.675 -1.915 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -10.605 1.646 -0.552 1.00 2.08 C ATOM 0 H LEU A 98 -13.513 0.170 -4.472 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.400 2.902 -4.125 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.868 1.523 -2.033 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.711 0.349 -2.629 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.925 2.041 -2.545 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.311 4.198 -1.428 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.253 4.052 -2.931 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -12.054 3.845 -1.355 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.797 2.202 -0.077 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.517 1.761 0.034 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -10.338 0.591 -0.604 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.516 2.399 -5.681 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.402 2.139 -6.597 1.00 0.85 C ATOM 1310 C PRO A 99 -8.161 1.638 -5.864 1.00 0.70 C ATOM 1311 O PRO A 99 -7.603 2.335 -5.016 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.119 3.506 -7.239 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.294 4.359 -6.899 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.828 3.832 -5.601 1.00 1.10 C ATOM 0 HA PRO A 99 -9.652 1.362 -7.320 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.196 3.938 -6.852 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.000 3.415 -8.319 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.002 5.405 -6.804 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.051 4.309 -7.681 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.347 4.304 -4.744 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.899 4.008 -5.502 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.726 0.432 -6.205 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.585 -0.188 -5.549 1.00 0.47 C ATOM 1324 C VAL A 100 -5.626 -0.779 -6.581 1.00 0.42 C ATOM 1325 O VAL A 100 -5.971 -1.721 -7.296 1.00 0.50 O ATOM 1326 CB VAL A 100 -7.029 -1.295 -4.560 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -5.827 -1.990 -3.945 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.916 -0.716 -3.466 1.00 1.35 C ATOM 0 H VAL A 100 -8.150 -0.138 -6.937 1.00 0.58 H new ATOM 0 HA VAL A 100 -6.073 0.592 -4.985 1.00 0.47 H new ATOM 0 HB VAL A 100 -7.603 -2.032 -5.122 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -6.167 -2.762 -3.255 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -5.228 -2.446 -4.733 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -5.222 -1.261 -3.405 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -8.216 -1.510 -2.783 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.365 0.047 -2.916 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -8.803 -0.269 -3.915 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.428 -0.217 -6.659 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.422 -0.671 -7.605 1.00 0.43 C ATOM 1340 C ARG A 101 -2.348 -1.475 -6.877 1.00 0.40 C ATOM 1341 O ARG A 101 -1.508 -0.913 -6.171 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.796 0.532 -8.317 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.860 0.150 -9.451 1.00 1.20 C ATOM 1344 CD ARG A 101 -1.288 1.383 -10.144 1.00 1.40 C ATOM 1345 NE ARG A 101 -2.339 2.249 -10.684 1.00 2.23 N ATOM 1346 CZ ARG A 101 -2.130 3.498 -11.110 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -0.912 4.024 -11.072 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -3.138 4.218 -11.584 1.00 3.87 N ATOM 0 H ARG A 101 -4.129 0.561 -6.072 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.894 -1.312 -8.349 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -3.592 1.164 -8.711 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -2.246 1.128 -7.589 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -1.045 -0.460 -9.062 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -2.397 -0.460 -10.177 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -0.682 1.948 -9.436 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -0.626 1.070 -10.952 1.00 1.40 H new ATOM 0 HE ARG A 101 -3.287 1.876 -10.738 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -0.130 3.474 -10.716 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -0.758 4.978 -11.399 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -4.076 3.818 -11.624 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -2.976 5.171 -11.909 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.381 -2.788 -7.044 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.468 -3.669 -6.331 1.00 0.43 C ATOM 1364 C ILE A 102 -0.229 -3.976 -7.163 1.00 0.45 C ATOM 1365 O ILE A 102 -0.323 -4.249 -8.362 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.163 -4.995 -5.933 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.384 -4.709 -5.053 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.191 -5.926 -5.212 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.113 -5.953 -4.592 1.00 0.76 C ATOM 0 H ILE A 102 -3.030 -3.268 -7.667 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.163 -3.144 -5.426 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.495 -5.494 -6.843 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.065 -4.142 -4.179 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.078 -4.077 -5.606 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.704 -6.850 -4.943 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.351 -6.155 -5.868 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.823 -5.439 -4.309 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -4.965 -5.668 -3.974 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.465 -6.511 -5.460 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.435 -6.577 -4.010 1.00 0.76 H new ATOM 1381 N ARG A 103 0.929 -3.902 -6.526 1.00 0.41 N ATOM 1382 CA ARG A 103 2.180 -4.269 -7.162 1.00 0.50 C ATOM 1383 C ARG A 103 2.960 -5.213 -6.256 1.00 0.43 C ATOM 1384 O ARG A 103 3.138 -4.947 -5.064 1.00 0.53 O ATOM 1385 CB ARG A 103 3.017 -3.018 -7.473 1.00 0.65 C ATOM 1386 CG ARG A 103 4.225 -3.308 -8.355 1.00 1.12 C ATOM 1387 CD ARG A 103 4.930 -2.026 -8.805 1.00 1.27 C ATOM 1388 NE ARG A 103 3.978 -1.040 -9.311 1.00 1.83 N ATOM 1389 CZ ARG A 103 4.252 -0.159 -10.269 1.00 2.44 C ATOM 1390 NH1 ARG A 103 5.429 -0.176 -10.880 1.00 2.64 N ATOM 1391 NH2 ARG A 103 3.331 0.720 -10.641 1.00 3.34 N ATOM 0 H ARG A 103 1.026 -3.588 -5.560 1.00 0.41 H new ATOM 0 HA ARG A 103 1.960 -4.775 -8.102 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.385 -2.279 -7.965 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.357 -2.574 -6.537 1.00 0.65 H new ATOM 0 HG2 ARG A 103 4.929 -3.936 -7.810 1.00 1.12 H new ATOM 0 HG3 ARG A 103 3.906 -3.873 -9.231 1.00 1.12 H new ATOM 0 HD2 ARG A 103 5.484 -1.602 -7.968 1.00 1.27 H new ATOM 0 HD3 ARG A 103 5.657 -2.263 -9.582 1.00 1.27 H new ATOM 0 HE ARG A 103 3.043 -1.026 -8.903 1.00 1.83 H new ATOM 0 HH11 ARG A 103 6.131 -0.868 -10.616 1.00 2.64 H new ATOM 0 HH12 ARG A 103 5.632 0.503 -11.614 1.00 2.64 H new ATOM 0 HH21 ARG A 103 2.415 0.719 -10.193 1.00 3.34 H new ATOM 0 HH22 ARG A 103 3.539 1.397 -11.375 1.00 3.34 H new ATOM 1405 N LYS A 104 3.405 -6.321 -6.823 1.00 0.38 N ATOM 1406 CA LYS A 104 4.171 -7.311 -6.085 1.00 0.39 C ATOM 1407 C LYS A 104 5.642 -6.932 -6.090 1.00 0.37 C ATOM 1408 O LYS A 104 6.286 -6.917 -7.143 1.00 0.46 O ATOM 1409 CB LYS A 104 3.986 -8.689 -6.716 1.00 0.51 C ATOM 1410 CG LYS A 104 2.521 -9.148 -6.759 1.00 0.63 C ATOM 1411 CD LYS A 104 1.944 -9.328 -5.363 1.00 1.06 C ATOM 1412 CE LYS A 104 2.597 -10.494 -4.635 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.499 -11.754 -5.419 1.00 1.91 N ATOM 0 H LYS A 104 3.247 -6.559 -7.802 1.00 0.38 H new ATOM 0 HA LYS A 104 3.815 -7.343 -5.055 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.384 -8.672 -7.731 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.571 -9.418 -6.156 1.00 0.51 H new ATOM 0 HG2 LYS A 104 1.927 -8.416 -7.306 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.451 -10.089 -7.305 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.087 -8.413 -4.788 1.00 1.06 H new ATOM 0 HD3 LYS A 104 0.869 -9.497 -5.431 1.00 1.06 H new ATOM 0 HE2 LYS A 104 3.645 -10.264 -4.445 1.00 1.50 H new ATOM 0 HE3 LYS A 104 2.120 -10.631 -3.665 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 2.893 -12.540 -4.864 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.501 -11.951 -5.637 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 3.034 -11.654 -6.305 1.00 1.91 H new ATOM 1427 N VAL A 105 6.172 -6.610 -4.922 1.00 0.35 N ATOM 1428 CA VAL A 105 7.552 -6.167 -4.818 1.00 0.39 C ATOM 1429 C VAL A 105 8.245 -6.796 -3.622 1.00 0.46 C ATOM 1430 O VAL A 105 7.622 -7.047 -2.590 1.00 0.52 O ATOM 1431 CB VAL A 105 7.657 -4.624 -4.690 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.038 -3.940 -5.892 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.999 -4.130 -3.407 1.00 0.55 C ATOM 0 H VAL A 105 5.670 -6.647 -4.035 1.00 0.35 H new ATOM 0 HA VAL A 105 8.043 -6.484 -5.738 1.00 0.39 H new ATOM 0 HB VAL A 105 8.716 -4.369 -4.650 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.124 -2.859 -5.780 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.559 -4.253 -6.797 1.00 0.43 H new ATOM 0 HG13 VAL A 105 5.986 -4.215 -5.965 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.089 -3.045 -3.346 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.945 -4.407 -3.409 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.492 -4.584 -2.547 1.00 0.55 H new ATOM 1443 N THR A 106 9.520 -7.091 -3.782 1.00 0.52 N ATOM 1444 CA THR A 106 10.363 -7.392 -2.650 1.00 0.61 C ATOM 1445 C THR A 106 11.774 -6.879 -2.935 1.00 0.58 C ATOM 1446 O THR A 106 12.623 -7.569 -3.496 1.00 0.67 O ATOM 1447 CB THR A 106 10.350 -8.910 -2.320 1.00 0.80 C ATOM 1448 OG1 THR A 106 11.164 -9.188 -1.174 1.00 1.32 O ATOM 1449 CG2 THR A 106 10.799 -9.762 -3.503 1.00 1.64 C ATOM 0 H THR A 106 9.991 -7.128 -4.686 1.00 0.52 H new ATOM 0 HA THR A 106 9.977 -6.887 -1.765 1.00 0.61 H new ATOM 0 HB THR A 106 9.317 -9.176 -2.097 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.594 -9.476 -0.430 1.00 1.32 H new ATOM 0 HG21 THR A 106 10.773 -10.815 -3.223 1.00 1.64 H new ATOM 0 HG22 THR A 106 10.130 -9.594 -4.347 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.815 -9.486 -3.785 1.00 1.64 H new ATOM 1457 N SER A 107 11.988 -5.641 -2.514 1.00 0.50 N ATOM 1458 CA SER A 107 13.231 -4.904 -2.712 1.00 0.51 C ATOM 1459 C SER A 107 13.038 -3.501 -2.156 1.00 0.45 C ATOM 1460 O SER A 107 12.108 -2.798 -2.556 1.00 0.44 O ATOM 1461 CB SER A 107 13.614 -4.811 -4.198 1.00 0.56 C ATOM 1462 OG SER A 107 14.212 -6.007 -4.667 1.00 1.36 O ATOM 0 H SER A 107 11.282 -5.104 -2.010 1.00 0.50 H new ATOM 0 HA SER A 107 14.036 -5.430 -2.199 1.00 0.51 H new ATOM 0 HB2 SER A 107 12.724 -4.594 -4.789 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.303 -3.979 -4.344 1.00 0.56 H new ATOM 0 HG SER A 107 13.927 -6.758 -4.105 1.00 1.36 H new ATOM 1468 N PRO A 108 13.897 -3.076 -1.221 1.00 0.47 N ATOM 1469 CA PRO A 108 13.798 -1.749 -0.607 1.00 0.49 C ATOM 1470 C PRO A 108 13.933 -0.629 -1.634 1.00 0.43 C ATOM 1471 O PRO A 108 13.222 0.370 -1.571 1.00 0.47 O ATOM 1472 CB PRO A 108 14.961 -1.715 0.392 1.00 0.63 C ATOM 1473 CG PRO A 108 15.885 -2.800 -0.045 1.00 0.69 C ATOM 1474 CD PRO A 108 15.024 -3.853 -0.676 1.00 0.55 C ATOM 0 HA PRO A 108 12.827 -1.591 -0.139 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.460 -0.746 0.383 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.610 -1.883 1.410 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.621 -2.422 -0.755 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.438 -3.205 0.802 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.556 -4.395 -1.458 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.690 -4.592 0.053 1.00 0.55 H new ATOM 1482 N ASP A 109 14.836 -0.815 -2.590 1.00 0.46 N ATOM 1483 CA ASP A 109 15.066 0.179 -3.634 1.00 0.50 C ATOM 1484 C ASP A 109 13.856 0.302 -4.551 1.00 0.41 C ATOM 1485 O ASP A 109 13.458 1.408 -4.917 1.00 0.44 O ATOM 1486 CB ASP A 109 16.304 -0.176 -4.460 1.00 0.64 C ATOM 1487 CG ASP A 109 17.580 -0.129 -3.648 1.00 1.56 C ATOM 1488 OD1 ASP A 109 18.133 0.972 -3.459 1.00 2.22 O ATOM 1489 OD2 ASP A 109 18.042 -1.196 -3.197 1.00 2.37 O ATOM 0 H ASP A 109 15.422 -1.646 -2.664 1.00 0.46 H new ATOM 0 HA ASP A 109 15.231 1.138 -3.142 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.182 -1.174 -4.880 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.386 0.515 -5.299 1.00 0.64 H new ATOM 1494 N GLU A 110 13.273 -0.835 -4.920 1.00 0.38 N ATOM 1495 CA GLU A 110 12.100 -0.848 -5.788 1.00 0.38 C ATOM 1496 C GLU A 110 10.902 -0.202 -5.103 1.00 0.36 C ATOM 1497 O GLU A 110 10.161 0.558 -5.724 1.00 0.42 O ATOM 1498 CB GLU A 110 11.755 -2.276 -6.217 1.00 0.43 C ATOM 1499 CG GLU A 110 12.739 -2.872 -7.215 1.00 0.68 C ATOM 1500 CD GLU A 110 12.714 -2.172 -8.564 1.00 1.32 C ATOM 1501 OE1 GLU A 110 11.771 -2.416 -9.348 1.00 2.01 O ATOM 1502 OE2 GLU A 110 13.651 -1.394 -8.857 1.00 2.12 O ATOM 0 H GLU A 110 13.594 -1.759 -4.631 1.00 0.38 H new ATOM 0 HA GLU A 110 12.342 -0.266 -6.677 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.718 -2.912 -5.333 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.757 -2.283 -6.656 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.746 -2.816 -6.802 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.510 -3.928 -7.356 1.00 0.68 H new ATOM 1509 N ALA A 111 10.725 -0.494 -3.818 1.00 0.33 N ATOM 1510 CA ALA A 111 9.627 0.077 -3.048 1.00 0.35 C ATOM 1511 C ALA A 111 9.692 1.603 -3.050 1.00 0.34 C ATOM 1512 O ALA A 111 8.723 2.276 -3.403 1.00 0.41 O ATOM 1513 CB ALA A 111 9.650 -0.453 -1.621 1.00 0.38 C ATOM 0 H ALA A 111 11.329 -1.123 -3.289 1.00 0.33 H new ATOM 0 HA ALA A 111 8.691 -0.222 -3.519 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.824 -0.018 -1.058 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.548 -1.538 -1.634 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.594 -0.183 -1.148 1.00 0.38 H new ATOM 1519 N LYS A 112 10.852 2.139 -2.682 1.00 0.32 N ATOM 1520 CA LYS A 112 11.055 3.586 -2.634 1.00 0.34 C ATOM 1521 C LYS A 112 10.920 4.193 -4.027 1.00 0.37 C ATOM 1522 O LYS A 112 10.475 5.328 -4.183 1.00 0.42 O ATOM 1523 CB LYS A 112 12.442 3.906 -2.070 1.00 0.40 C ATOM 1524 CG LYS A 112 12.697 3.316 -0.691 1.00 0.48 C ATOM 1525 CD LYS A 112 14.182 3.299 -0.354 1.00 0.62 C ATOM 1526 CE LYS A 112 14.736 4.697 -0.139 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.190 4.669 0.163 1.00 1.51 N ATOM 0 H LYS A 112 11.669 1.592 -2.412 1.00 0.32 H new ATOM 0 HA LYS A 112 10.292 4.016 -1.985 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.199 3.533 -2.760 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.562 4.988 -2.020 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.160 3.897 0.059 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.303 2.301 -0.650 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.342 2.704 0.545 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.731 2.812 -1.160 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.561 5.299 -1.030 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.203 5.178 0.681 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.492 5.605 0.501 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.378 3.958 0.898 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.719 4.425 -0.699 1.00 1.51 H new ATOM 1541 N ARG A 113 11.300 3.412 -5.031 1.00 0.38 N ATOM 1542 CA ARG A 113 11.269 3.843 -6.425 1.00 0.46 C ATOM 1543 C ARG A 113 9.844 4.154 -6.870 1.00 0.43 C ATOM 1544 O ARG A 113 9.585 5.203 -7.460 1.00 0.50 O ATOM 1545 CB ARG A 113 11.873 2.746 -7.301 1.00 0.57 C ATOM 1546 CG ARG A 113 11.954 3.074 -8.790 1.00 0.77 C ATOM 1547 CD ARG A 113 12.671 1.966 -9.557 1.00 1.01 C ATOM 1548 NE ARG A 113 13.180 2.408 -10.849 1.00 1.68 N ATOM 1549 CZ ARG A 113 14.059 1.705 -11.562 1.00 2.13 C ATOM 1550 NH1 ARG A 113 14.488 0.528 -11.117 1.00 1.97 N ATOM 1551 NH2 ARG A 113 14.505 2.175 -12.719 1.00 2.96 N ATOM 0 H ARG A 113 11.640 2.459 -4.902 1.00 0.38 H new ATOM 0 HA ARG A 113 11.854 4.757 -6.527 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.877 2.526 -6.939 1.00 0.57 H new ATOM 0 HB3 ARG A 113 11.283 1.838 -7.177 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.950 3.208 -9.192 1.00 0.77 H new ATOM 0 HG3 ARG A 113 12.481 4.018 -8.930 1.00 0.77 H new ATOM 0 HD2 ARG A 113 13.499 1.591 -8.955 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.984 1.133 -9.708 1.00 1.01 H new ATOM 0 HE ARG A 113 12.848 3.296 -11.225 1.00 1.68 H new ATOM 0 HH11 ARG A 113 14.144 0.162 -10.229 1.00 1.97 H new ATOM 0 HH12 ARG A 113 15.161 -0.009 -11.664 1.00 1.97 H new ATOM 0 HH21 ARG A 113 14.175 3.076 -13.065 1.00 2.96 H new ATOM 0 HH22 ARG A 113 15.178 1.635 -13.263 1.00 2.96 H new ATOM 1565 N TRP A 114 8.919 3.251 -6.567 1.00 0.39 N ATOM 1566 CA TRP A 114 7.532 3.433 -6.971 1.00 0.39 C ATOM 1567 C TRP A 114 6.878 4.542 -6.158 1.00 0.40 C ATOM 1568 O TRP A 114 6.096 5.331 -6.686 1.00 0.46 O ATOM 1569 CB TRP A 114 6.742 2.126 -6.841 1.00 0.38 C ATOM 1570 CG TRP A 114 7.367 0.986 -7.585 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.604 -0.269 -7.106 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.855 1.001 -8.932 1.00 0.66 C ATOM 1573 NE1 TRP A 114 8.202 -1.038 -8.074 1.00 0.40 N ATOM 1574 CE2 TRP A 114 8.368 -0.281 -9.202 1.00 0.63 C ATOM 1575 CE3 TRP A 114 7.907 1.972 -9.939 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 8.923 -0.615 -10.431 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 8.459 1.636 -11.160 1.00 1.29 C ATOM 1578 CH2 TRP A 114 8.961 0.353 -11.396 1.00 1.25 C ATOM 0 H TRP A 114 9.103 2.393 -6.047 1.00 0.39 H new ATOM 0 HA TRP A 114 7.523 3.725 -8.021 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.659 1.862 -5.787 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.729 2.282 -7.212 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.357 -0.608 -6.111 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.478 -2.014 -7.969 1.00 0.40 H new ATOM 0 HE3 TRP A 114 7.522 2.966 -9.764 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 9.311 -1.605 -10.618 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 8.503 2.377 -11.945 1.00 1.29 H new ATOM 0 HH2 TRP A 114 9.388 0.121 -12.361 1.00 1.25 H new ATOM 1589 N ILE A 115 7.222 4.616 -4.878 1.00 0.38 N ATOM 1590 CA ILE A 115 6.717 5.678 -4.018 1.00 0.41 C ATOM 1591 C ILE A 115 7.216 7.038 -4.510 1.00 0.47 C ATOM 1592 O ILE A 115 6.489 8.032 -4.469 1.00 0.55 O ATOM 1593 CB ILE A 115 7.138 5.471 -2.546 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.638 4.115 -2.035 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.601 6.597 -1.673 1.00 0.45 C ATOM 1596 CD1 ILE A 115 7.044 3.812 -0.608 1.00 0.44 C ATOM 0 H ILE A 115 7.846 3.956 -4.414 1.00 0.38 H new ATOM 0 HA ILE A 115 5.628 5.648 -4.065 1.00 0.41 H new ATOM 0 HB ILE A 115 8.227 5.484 -2.493 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.551 4.089 -2.107 1.00 0.40 H new ATOM 0 HG13 ILE A 115 7.020 3.329 -2.686 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.908 6.434 -0.640 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.998 7.550 -2.023 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.513 6.614 -1.730 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.654 2.836 -0.318 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.131 3.805 -0.533 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.640 4.576 0.055 1.00 0.44 H new ATOM 1608 N LYS A 116 8.455 7.063 -4.993 1.00 0.50 N ATOM 1609 CA LYS A 116 9.052 8.274 -5.548 1.00 0.60 C ATOM 1610 C LYS A 116 8.258 8.751 -6.762 1.00 0.57 C ATOM 1611 O LYS A 116 7.984 9.943 -6.909 1.00 0.69 O ATOM 1612 CB LYS A 116 10.511 8.008 -5.936 1.00 0.73 C ATOM 1613 CG LYS A 116 11.218 9.200 -6.561 1.00 1.18 C ATOM 1614 CD LYS A 116 12.669 8.882 -6.897 1.00 1.85 C ATOM 1615 CE LYS A 116 13.503 8.667 -5.642 1.00 2.50 C ATOM 1616 NZ LYS A 116 14.920 8.351 -5.958 1.00 3.13 N ATOM 0 H LYS A 116 9.070 6.250 -5.011 1.00 0.50 H new ATOM 0 HA LYS A 116 9.026 9.057 -4.791 1.00 0.60 H new ATOM 0 HB2 LYS A 116 11.061 7.699 -5.047 1.00 0.73 H new ATOM 0 HB3 LYS A 116 10.542 7.173 -6.636 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.692 9.501 -7.467 1.00 1.18 H new ATOM 0 HG3 LYS A 116 11.180 10.046 -5.875 1.00 1.18 H new ATOM 0 HD2 LYS A 116 12.711 7.988 -7.519 1.00 1.85 H new ATOM 0 HD3 LYS A 116 13.094 9.698 -7.481 1.00 1.85 H new ATOM 0 HE2 LYS A 116 13.462 9.563 -5.022 1.00 2.50 H new ATOM 0 HE3 LYS A 116 13.073 7.854 -5.057 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 15.450 8.213 -5.074 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 14.963 7.482 -6.527 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 15.340 9.137 -6.494 1.00 3.13 H new ATOM 1630 N GLU A 117 7.883 7.808 -7.616 1.00 0.53 N ATOM 1631 CA GLU A 117 7.070 8.106 -8.791 1.00 0.58 C ATOM 1632 C GLU A 117 5.722 8.692 -8.380 1.00 0.57 C ATOM 1633 O GLU A 117 5.255 9.677 -8.957 1.00 0.66 O ATOM 1634 CB GLU A 117 6.854 6.837 -9.617 1.00 0.70 C ATOM 1635 CG GLU A 117 8.130 6.260 -10.205 1.00 1.28 C ATOM 1636 CD GLU A 117 8.738 7.155 -11.262 1.00 1.51 C ATOM 1637 OE1 GLU A 117 9.569 8.020 -10.916 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.387 6.996 -12.451 1.00 1.93 O ATOM 0 H GLU A 117 8.130 6.823 -7.517 1.00 0.53 H new ATOM 0 HA GLU A 117 7.599 8.842 -9.396 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.382 6.082 -8.988 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.159 7.057 -10.428 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.855 6.102 -9.407 1.00 1.28 H new ATOM 0 HG3 GLU A 117 7.917 5.283 -10.640 1.00 1.28 H new ATOM 1645 N PHE A 118 5.117 8.089 -7.366 1.00 0.56 N ATOM 1646 CA PHE A 118 3.805 8.509 -6.888 1.00 0.66 C ATOM 1647 C PHE A 118 3.867 9.821 -6.108 1.00 0.73 C ATOM 1648 O PHE A 118 2.846 10.465 -5.896 1.00 0.88 O ATOM 1649 CB PHE A 118 3.165 7.411 -6.037 1.00 0.73 C ATOM 1650 CG PHE A 118 2.487 6.339 -6.849 1.00 0.69 C ATOM 1651 CD1 PHE A 118 3.230 5.393 -7.538 1.00 1.33 C ATOM 1652 CD2 PHE A 118 1.104 6.280 -6.923 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.607 4.411 -8.284 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.476 5.301 -7.668 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.228 4.365 -8.348 1.00 1.41 C ATOM 0 H PHE A 118 5.516 7.302 -6.855 1.00 0.56 H new ATOM 0 HA PHE A 118 3.184 8.684 -7.767 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.932 6.952 -5.413 1.00 0.73 H new ATOM 0 HB3 PHE A 118 2.435 7.862 -5.365 1.00 0.73 H new ATOM 0 HD1 PHE A 118 4.309 5.424 -7.491 1.00 1.33 H new ATOM 0 HD2 PHE A 118 0.510 7.009 -6.391 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.198 3.680 -8.816 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.602 5.268 -7.718 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.739 3.597 -8.929 1.00 1.41 H new ATOM 1665 N SER A 119 5.061 10.225 -5.692 1.00 0.69 N ATOM 1666 CA SER A 119 5.226 11.457 -4.919 1.00 0.80 C ATOM 1667 C SER A 119 4.826 12.695 -5.736 1.00 0.79 C ATOM 1668 O SER A 119 4.693 13.794 -5.192 1.00 0.90 O ATOM 1669 CB SER A 119 6.673 11.585 -4.429 1.00 0.93 C ATOM 1670 OG SER A 119 7.025 10.497 -3.587 1.00 1.20 O ATOM 0 H SER A 119 5.929 9.721 -5.875 1.00 0.69 H new ATOM 0 HA SER A 119 4.561 11.401 -4.057 1.00 0.80 H new ATOM 0 HB2 SER A 119 7.348 11.621 -5.284 1.00 0.93 H new ATOM 0 HB3 SER A 119 6.795 12.523 -3.887 1.00 0.93 H new ATOM 0 HG SER A 119 6.850 9.653 -4.053 1.00 1.20 H new ATOM 1676 N GLU A 120 4.623 12.508 -7.035 1.00 0.81 N ATOM 1677 CA GLU A 120 4.192 13.589 -7.914 1.00 0.96 C ATOM 1678 C GLU A 120 2.674 13.578 -8.090 1.00 1.17 C ATOM 1679 O GLU A 120 2.099 14.524 -8.633 1.00 1.50 O ATOM 1680 CB GLU A 120 4.862 13.448 -9.280 1.00 1.08 C ATOM 1681 CG GLU A 120 6.373 13.577 -9.240 1.00 1.41 C ATOM 1682 CD GLU A 120 6.830 14.973 -8.882 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.236 15.197 -7.722 1.00 2.45 O ATOM 1684 OE2 GLU A 120 6.793 15.856 -9.764 1.00 2.77 O ATOM 0 H GLU A 120 4.751 11.612 -7.505 1.00 0.81 H new ATOM 0 HA GLU A 120 4.484 14.535 -7.457 1.00 0.96 H new ATOM 0 HB2 GLU A 120 4.601 12.478 -9.703 1.00 1.08 H new ATOM 0 HB3 GLU A 120 4.460 14.207 -9.951 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.775 12.870 -8.514 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.783 13.303 -10.212 1.00 1.41 H new ATOM 1691 N GLU A 121 2.040 12.509 -7.607 1.00 1.22 N ATOM 1692 CA GLU A 121 0.612 12.271 -7.815 1.00 1.56 C ATOM 1693 C GLU A 121 0.264 12.294 -9.298 1.00 2.02 C ATOM 1694 O GLU A 121 0.642 11.339 -10.009 1.00 2.60 O ATOM 1695 CB GLU A 121 -0.248 13.286 -7.053 1.00 1.96 C ATOM 1696 CG GLU A 121 -0.237 13.097 -5.546 1.00 2.47 C ATOM 1697 CD GLU A 121 -1.247 13.982 -4.849 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -0.833 14.970 -4.209 1.00 4.00 O ATOM 1699 OE2 GLU A 121 -2.464 13.704 -4.953 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.401 13.255 -9.746 1.00 2.53 O ATOM 0 H GLU A 121 2.503 11.783 -7.060 1.00 1.22 H new ATOM 0 HA GLU A 121 0.391 11.279 -7.420 1.00 1.56 H new ATOM 0 HB2 GLU A 121 0.103 14.291 -7.285 1.00 1.96 H new ATOM 0 HB3 GLU A 121 -1.276 13.217 -7.410 1.00 1.96 H new ATOM 0 HG2 GLU A 121 -0.448 12.054 -5.311 1.00 2.47 H new ATOM 0 HG3 GLU A 121 0.760 13.315 -5.162 1.00 2.47 H new