USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot 90:sc= 1.13 USER MOD Set 1.2: A 87 LYS NZ :NH3+ -178:sc= 0.967 (180deg=0) USER MOD Set 2.1: A 71 THR OG1 : rot -81:sc= 0.458 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.462 K(o=0.92,f=-5.1!) USER MOD Set 3.1: A 29 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 24 HIS : no HE2:sc= -4.77! C(o=-5.5!,f=-7.2!) USER MOD Set 4.2: A 31 ASN : amide:sc= -0.759 K(o=-5.5,f=-9.6) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= -0.815 (180deg=-3.03!) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.11) USER MOD Single : A 13 ASN : amide:sc= -4.86! C(o=-4.9!,f=-5!) USER MOD Single : A 14 THR OG1 : rot 55:sc= -0.592! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.0736 K(o=0.074,f=-0.61) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 27 SER OG : rot 89:sc= 0.0448 USER MOD Single : A 35 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.9!) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -0.0119 (180deg=-0.152) USER MOD Single : A 42 THR OG1 : rot -172:sc= -1.37! USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0.997 (180deg=0.952) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0377 (180deg=-0.269) USER MOD Single : A 58 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.5!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 66 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.2) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 1:sc= 0.197 USER MOD Single : A 89 TYR OH : rot -158:sc= -0.954! USER MOD Single : A 92 SER OG : rot 180:sc= -0.224 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -169:sc=-0.00692 (180deg=-0.109) USER MOD Single : A 102 MET CE :methyl 168:sc= -0.022 (180deg=-0.325) USER MOD Single : A 108 GLN :FLIP amide:sc=-0.00835 F(o=-1.2,f=-0.0083) USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.0262 (180deg=-0.247) USER MOD Single : A 115 SER OG : rot 58:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 17.117 2.874 6.606 1.00 3.56 N ATOM 48 CA LYS A 5 15.892 2.687 7.364 1.00 3.21 C ATOM 49 C LYS A 5 15.047 1.536 6.836 1.00 2.60 C ATOM 50 O LYS A 5 15.035 1.254 5.637 1.00 2.48 O ATOM 51 CB LYS A 5 15.079 3.947 7.299 1.00 3.31 C ATOM 52 CG LYS A 5 14.083 4.123 8.441 1.00 3.91 C ATOM 53 CD LYS A 5 14.746 4.170 9.819 1.00 4.47 C ATOM 54 CE LYS A 5 15.498 5.473 10.077 1.00 5.34 C ATOM 55 NZ LYS A 5 16.801 5.542 9.360 1.00 5.99 N ATOM 0 HA LYS A 5 16.177 2.449 8.389 1.00 3.21 H new ATOM 0 HB2 LYS A 5 15.757 4.801 7.292 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.535 3.964 6.355 1.00 3.31 H new ATOM 0 HG2 LYS A 5 13.520 5.043 8.285 1.00 3.91 H new ATOM 0 HG3 LYS A 5 13.366 3.303 8.418 1.00 3.91 H new ATOM 0 HD2 LYS A 5 13.984 4.039 10.587 1.00 4.47 H new ATOM 0 HD3 LYS A 5 15.438 3.333 9.911 1.00 4.47 H new ATOM 0 HE2 LYS A 5 14.875 6.313 9.770 1.00 5.34 H new ATOM 0 HE3 LYS A 5 15.672 5.580 11.148 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 17.541 5.865 10.015 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 17.047 4.599 8.996 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 16.726 6.210 8.567 1.00 5.99 H new ATOM 69 N GLU A 6 14.350 0.878 7.747 1.00 2.54 N ATOM 70 CA GLU A 6 13.362 -0.107 7.407 1.00 2.10 C ATOM 71 C GLU A 6 12.164 0.580 6.758 1.00 1.84 C ATOM 72 O GLU A 6 11.517 1.433 7.376 1.00 2.27 O ATOM 73 CB GLU A 6 12.959 -0.832 8.684 1.00 2.49 C ATOM 74 CG GLU A 6 11.640 -1.546 8.585 1.00 2.96 C ATOM 75 CD GLU A 6 11.233 -2.195 9.888 1.00 3.57 C ATOM 76 OE1 GLU A 6 11.127 -3.443 9.927 1.00 4.01 O ATOM 77 OE2 GLU A 6 11.019 -1.471 10.880 1.00 3.94 O ATOM 0 H GLU A 6 14.462 1.021 8.751 1.00 2.54 H new ATOM 0 HA GLU A 6 13.758 -0.830 6.695 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.734 -1.554 8.941 1.00 2.49 H new ATOM 0 HB3 GLU A 6 12.911 -0.111 9.500 1.00 2.49 H new ATOM 0 HG2 GLU A 6 10.870 -0.838 8.279 1.00 2.96 H new ATOM 0 HG3 GLU A 6 11.700 -2.307 7.807 1.00 2.96 H new ATOM 84 N ILE A 7 11.887 0.221 5.512 1.00 1.34 N ATOM 85 CA ILE A 7 10.828 0.864 4.746 1.00 1.10 C ATOM 86 C ILE A 7 9.483 0.278 5.132 1.00 0.99 C ATOM 87 O ILE A 7 9.382 -0.905 5.468 1.00 1.30 O ATOM 88 CB ILE A 7 11.054 0.705 3.226 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.456 1.099 2.861 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.097 1.553 2.420 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.792 2.473 3.338 1.00 2.00 C ATOM 0 H ILE A 7 12.383 -0.515 5.009 1.00 1.34 H new ATOM 0 HA ILE A 7 10.843 1.929 4.979 1.00 1.10 H new ATOM 0 HB ILE A 7 10.879 -0.345 2.991 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.157 0.384 3.291 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.576 1.051 1.779 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.291 1.410 1.357 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.072 1.258 2.644 1.00 1.29 H new ATOM 0 HG23 ILE A 7 10.237 2.603 2.677 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.815 2.717 3.053 1.00 2.00 H new ATOM 0 HD12 ILE A 7 12.108 3.192 2.887 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.698 2.514 4.423 1.00 2.00 H new ATOM 103 N GLU A 8 8.454 1.099 5.103 1.00 0.87 N ATOM 104 CA GLU A 8 7.151 0.663 5.571 1.00 0.93 C ATOM 105 C GLU A 8 6.017 1.067 4.632 1.00 0.86 C ATOM 106 O GLU A 8 6.098 2.068 3.918 1.00 1.29 O ATOM 107 CB GLU A 8 6.902 1.160 6.998 1.00 1.41 C ATOM 108 CG GLU A 8 7.894 2.196 7.492 1.00 1.71 C ATOM 109 CD GLU A 8 7.605 3.583 6.969 1.00 2.31 C ATOM 110 OE1 GLU A 8 6.781 4.296 7.571 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.196 3.963 5.939 1.00 2.71 O ATOM 0 H GLU A 8 8.491 2.061 4.765 1.00 0.87 H new ATOM 0 HA GLU A 8 7.160 -0.427 5.578 1.00 0.93 H new ATOM 0 HB2 GLU A 8 5.899 1.584 7.051 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.923 0.306 7.674 1.00 1.41 H new ATOM 0 HG2 GLU A 8 7.880 2.214 8.582 1.00 1.71 H new ATOM 0 HG3 GLU A 8 8.899 1.902 7.191 1.00 1.71 H new ATOM 118 N ILE A 9 4.958 0.259 4.654 1.00 0.65 N ATOM 119 CA ILE A 9 3.826 0.415 3.748 1.00 0.68 C ATOM 120 C ILE A 9 2.580 0.824 4.527 1.00 0.53 C ATOM 121 O ILE A 9 2.153 0.107 5.430 1.00 0.68 O ATOM 122 CB ILE A 9 3.486 -0.900 2.990 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.549 -1.975 3.166 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.283 -0.628 1.517 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.758 -1.710 2.350 1.00 1.21 C ATOM 0 H ILE A 9 4.863 -0.523 5.302 1.00 0.65 H new ATOM 0 HA ILE A 9 4.116 1.180 3.027 1.00 0.68 H new ATOM 0 HB ILE A 9 2.562 -1.277 3.429 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.829 -2.037 4.217 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.132 -2.944 2.890 1.00 0.93 H new ATOM 0 HG21 ILE A 9 3.046 -1.560 1.004 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.462 0.077 1.387 1.00 1.34 H new ATOM 0 HG23 ILE A 9 4.195 -0.204 1.096 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.487 -2.505 2.510 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.485 -1.675 1.295 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.193 -0.755 2.644 1.00 1.21 H new ATOM 137 N VAL A 10 1.996 1.966 4.192 1.00 0.51 N ATOM 138 CA VAL A 10 0.744 2.374 4.821 1.00 0.46 C ATOM 139 C VAL A 10 -0.437 2.136 3.897 1.00 0.41 C ATOM 140 O VAL A 10 -0.422 2.521 2.723 1.00 0.44 O ATOM 141 CB VAL A 10 0.748 3.851 5.301 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.901 4.635 4.699 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.584 4.532 4.992 1.00 0.77 C ATOM 0 H VAL A 10 2.361 2.619 3.499 1.00 0.51 H new ATOM 0 HA VAL A 10 0.644 1.749 5.708 1.00 0.46 H new ATOM 0 HB VAL A 10 0.885 3.838 6.382 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.869 5.663 5.059 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.845 4.177 4.993 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.817 4.628 3.612 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.554 5.565 5.339 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.760 4.515 3.916 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.390 4.002 5.500 1.00 0.77 H new ATOM 153 N ILE A 11 -1.444 1.470 4.435 1.00 0.40 N ATOM 154 CA ILE A 11 -2.722 1.353 3.783 1.00 0.40 C ATOM 155 C ILE A 11 -3.741 2.156 4.566 1.00 0.44 C ATOM 156 O ILE A 11 -4.063 1.835 5.710 1.00 0.50 O ATOM 157 CB ILE A 11 -3.187 -0.114 3.661 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.237 -0.896 2.771 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.621 -0.198 3.141 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.994 -0.210 1.470 1.00 0.59 C ATOM 0 H ILE A 11 -1.391 0.997 5.337 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.624 1.739 2.768 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.173 -0.560 4.655 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.288 -1.036 3.289 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.649 -1.888 2.586 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.920 -1.243 3.066 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.288 0.322 3.828 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.679 0.268 2.157 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.309 -0.806 0.867 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.938 -0.094 0.938 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.557 0.772 1.652 1.00 0.59 H new ATOM 172 N LYS A 12 -4.194 3.226 3.960 1.00 0.46 N ATOM 173 CA LYS A 12 -5.187 4.091 4.564 1.00 0.52 C ATOM 174 C LYS A 12 -6.542 3.732 3.997 1.00 0.50 C ATOM 175 O LYS A 12 -6.637 3.217 2.882 1.00 0.62 O ATOM 176 CB LYS A 12 -4.871 5.549 4.248 1.00 0.55 C ATOM 177 CG LYS A 12 -4.756 6.462 5.449 1.00 0.72 C ATOM 178 CD LYS A 12 -4.249 7.828 5.019 1.00 1.32 C ATOM 179 CE LYS A 12 -3.822 8.684 6.196 1.00 1.65 C ATOM 180 NZ LYS A 12 -2.986 9.829 5.751 1.00 2.08 N ATOM 0 H LYS A 12 -3.887 3.525 3.034 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.183 3.959 5.646 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.934 5.588 3.692 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.649 5.938 3.590 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -5.727 6.562 5.934 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.077 6.027 6.182 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.406 7.702 4.340 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.032 8.344 4.463 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -4.704 9.055 6.718 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -3.263 8.076 6.907 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -2.610 10.328 6.582 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -2.197 9.478 5.172 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -3.565 10.483 5.187 1.00 2.08 H new ATOM 194 N ASN A 13 -7.583 3.995 4.747 1.00 0.55 N ATOM 195 CA ASN A 13 -8.924 3.732 4.276 1.00 0.59 C ATOM 196 C ASN A 13 -9.868 4.786 4.795 1.00 0.58 C ATOM 197 O ASN A 13 -9.972 5.000 6.004 1.00 0.95 O ATOM 198 CB ASN A 13 -9.391 2.352 4.708 1.00 1.01 C ATOM 199 CG ASN A 13 -10.828 2.109 4.326 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.335 2.669 3.356 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.494 1.269 5.083 1.00 2.71 N ATOM 0 H ASN A 13 -7.530 4.391 5.686 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.917 3.763 3.186 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.758 1.593 4.249 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.278 2.250 5.787 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.470 1.059 4.875 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -11.035 0.826 5.879 1.00 2.71 H new ATOM 208 N THR A 14 -10.553 5.445 3.879 1.00 0.47 N ATOM 209 CA THR A 14 -11.400 6.553 4.243 1.00 0.74 C ATOM 210 C THR A 14 -12.224 7.078 3.076 1.00 0.54 C ATOM 211 O THR A 14 -11.794 7.944 2.313 1.00 0.70 O ATOM 212 CB THR A 14 -10.555 7.689 4.827 1.00 1.38 C ATOM 213 OG1 THR A 14 -11.341 8.868 5.039 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.445 7.976 3.869 1.00 1.78 C ATOM 0 H THR A 14 -10.536 5.229 2.882 1.00 0.47 H new ATOM 0 HA THR A 14 -12.101 6.180 4.990 1.00 0.74 H new ATOM 0 HB THR A 14 -10.159 7.386 5.796 1.00 1.38 H new ATOM 0 HG1 THR A 14 -12.118 8.648 5.594 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.826 8.783 4.261 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.836 7.081 3.739 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.862 8.273 2.907 1.00 1.78 H new ATOM 222 N LEU A 15 -13.397 6.518 2.883 1.00 0.49 N ATOM 223 CA LEU A 15 -14.366 7.184 2.063 1.00 0.68 C ATOM 224 C LEU A 15 -15.331 7.897 3.002 1.00 0.84 C ATOM 225 O LEU A 15 -16.032 8.840 2.636 1.00 1.18 O ATOM 226 CB LEU A 15 -15.187 6.244 1.156 1.00 0.88 C ATOM 227 CG LEU A 15 -14.420 5.328 0.223 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.319 4.678 0.941 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.348 4.313 -0.406 1.00 1.39 C ATOM 0 H LEU A 15 -13.693 5.624 3.275 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.823 7.855 1.398 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.816 5.624 1.795 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -15.855 6.858 0.551 1.00 0.88 H new ATOM 0 HG LEU A 15 -13.989 5.924 -0.582 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.777 4.023 0.259 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.641 5.437 1.332 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.720 4.090 1.767 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.780 3.664 -1.073 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.813 3.712 0.375 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.121 4.830 -0.975 1.00 1.39 H new ATOM 241 N GLY A 16 -15.333 7.396 4.238 1.00 0.72 N ATOM 242 CA GLY A 16 -16.323 7.751 5.232 1.00 0.87 C ATOM 243 C GLY A 16 -16.395 6.671 6.301 1.00 0.77 C ATOM 244 O GLY A 16 -15.572 5.756 6.291 1.00 1.27 O ATOM 0 H GLY A 16 -14.638 6.728 4.571 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -16.067 8.708 5.687 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -17.298 7.873 4.760 1.00 0.87 H new ATOM 248 N PRO A 17 -17.376 6.722 7.213 1.00 0.67 N ATOM 249 CA PRO A 17 -17.464 5.786 8.353 1.00 0.76 C ATOM 250 C PRO A 17 -17.659 4.320 7.936 1.00 0.88 C ATOM 251 O PRO A 17 -18.449 4.021 7.039 1.00 1.27 O ATOM 252 CB PRO A 17 -18.693 6.280 9.130 1.00 1.02 C ATOM 253 CG PRO A 17 -18.929 7.673 8.650 1.00 1.42 C ATOM 254 CD PRO A 17 -18.480 7.692 7.220 1.00 1.13 C ATOM 0 HA PRO A 17 -16.537 5.785 8.927 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.559 5.646 8.940 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.513 6.260 10.205 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.982 7.942 8.733 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -18.368 8.393 9.246 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -19.280 7.399 6.541 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.149 8.684 6.913 1.00 1.13 H new ATOM 262 N SER A 18 -16.925 3.418 8.600 1.00 1.06 N ATOM 263 CA SER A 18 -17.042 1.967 8.383 1.00 1.31 C ATOM 264 C SER A 18 -16.811 1.593 6.918 1.00 1.10 C ATOM 265 O SER A 18 -17.462 0.698 6.378 1.00 1.50 O ATOM 266 CB SER A 18 -18.417 1.476 8.841 1.00 1.75 C ATOM 267 OG SER A 18 -18.667 1.846 10.187 1.00 2.18 O ATOM 0 H SER A 18 -16.232 3.672 9.304 1.00 1.06 H new ATOM 0 HA SER A 18 -16.268 1.480 8.975 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.190 1.894 8.196 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.471 0.392 8.742 1.00 1.75 H new ATOM 0 HG SER A 18 -19.552 1.523 10.456 1.00 2.18 H new ATOM 273 N ARG A 19 -15.862 2.265 6.289 1.00 0.81 N ATOM 274 CA ARG A 19 -15.559 2.047 4.877 1.00 0.66 C ATOM 275 C ARG A 19 -14.524 0.958 4.683 1.00 0.64 C ATOM 276 O ARG A 19 -13.789 0.949 3.714 1.00 1.02 O ATOM 277 CB ARG A 19 -14.998 3.301 4.284 1.00 0.68 C ATOM 278 CG ARG A 19 -15.965 4.079 3.432 1.00 1.15 C ATOM 279 CD ARG A 19 -17.310 4.233 4.116 1.00 1.94 C ATOM 280 NE ARG A 19 -18.211 5.123 3.382 1.00 2.51 N ATOM 281 CZ ARG A 19 -19.425 5.477 3.811 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.882 5.042 4.980 1.00 3.76 N ATOM 283 NH2 ARG A 19 -20.181 6.276 3.073 1.00 3.99 N ATOM 0 H ARG A 19 -15.280 2.974 6.736 1.00 0.81 H new ATOM 0 HA ARG A 19 -16.490 1.753 4.393 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.647 3.944 5.091 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -14.128 3.044 3.680 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -15.551 5.064 3.216 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -16.098 3.573 2.476 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -17.776 3.253 4.219 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.160 4.622 5.123 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.892 5.496 2.488 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -19.304 4.432 5.558 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -20.811 5.318 5.299 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.836 6.621 2.177 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -21.108 6.547 3.400 1.00 3.99 H new ATOM 297 N ILE A 20 -14.517 0.059 5.604 1.00 0.52 N ATOM 298 CA ILE A 20 -13.460 -0.940 5.772 1.00 0.51 C ATOM 299 C ILE A 20 -13.277 -1.846 4.556 1.00 0.54 C ATOM 300 O ILE A 20 -14.227 -2.455 4.062 1.00 0.76 O ATOM 301 CB ILE A 20 -13.763 -1.812 6.999 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.416 -0.932 8.061 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.505 -2.494 7.521 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.975 -1.194 9.469 1.00 0.83 C ATOM 0 H ILE A 20 -15.261 -0.024 6.296 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.531 -0.384 5.902 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.448 -2.614 6.723 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.210 0.111 7.821 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.496 -1.065 8.005 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.755 -3.103 8.390 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.085 -3.129 6.741 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.773 -1.738 7.807 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.497 -0.517 10.146 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -14.206 -2.225 9.737 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -12.900 -1.030 9.550 1.00 0.83 H new ATOM 316 N LEU A 21 -12.035 -1.917 4.083 1.00 0.50 N ATOM 317 CA LEU A 21 -11.646 -2.900 3.068 1.00 0.55 C ATOM 318 C LEU A 21 -10.430 -3.668 3.541 1.00 0.52 C ATOM 319 O LEU A 21 -9.717 -3.232 4.449 1.00 0.75 O ATOM 320 CB LEU A 21 -11.377 -2.322 1.648 1.00 0.72 C ATOM 321 CG LEU A 21 -10.789 -0.908 1.528 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.874 0.132 1.700 1.00 2.23 C ATOM 323 CD2 LEU A 21 -9.647 -0.679 2.512 1.00 2.20 C ATOM 0 H LEU A 21 -11.277 -1.305 4.386 1.00 0.50 H new ATOM 0 HA LEU A 21 -12.512 -3.552 2.955 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -10.701 -3.006 1.135 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -12.320 -2.336 1.101 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.369 -0.809 0.527 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.440 1.128 1.612 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -12.633 -0.003 0.929 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -12.332 0.021 2.683 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -9.261 0.333 2.392 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -10.013 -0.810 3.530 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -8.850 -1.396 2.318 1.00 2.20 H new ATOM 335 N GLN A 22 -10.218 -4.814 2.937 1.00 0.47 N ATOM 336 CA GLN A 22 -9.128 -5.679 3.299 1.00 0.47 C ATOM 337 C GLN A 22 -8.047 -5.652 2.222 1.00 0.42 C ATOM 338 O GLN A 22 -8.288 -6.036 1.080 1.00 0.51 O ATOM 339 CB GLN A 22 -9.673 -7.090 3.507 1.00 0.60 C ATOM 340 CG GLN A 22 -8.605 -8.132 3.713 1.00 0.71 C ATOM 341 CD GLN A 22 -9.183 -9.518 3.900 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.430 -9.957 5.024 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.426 -10.207 2.798 1.00 1.34 N ATOM 0 H GLN A 22 -10.800 -5.170 2.179 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.669 -5.335 4.226 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.337 -7.089 4.371 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.276 -7.367 2.642 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.932 -8.134 2.855 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.008 -7.869 4.586 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -9.206 -9.805 1.887 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -9.834 -11.140 2.859 1.00 1.34 H new ATOM 352 N TYR A 23 -6.863 -5.176 2.587 1.00 0.42 N ATOM 353 CA TYR A 23 -5.741 -5.123 1.665 1.00 0.42 C ATOM 354 C TYR A 23 -4.811 -6.310 1.902 1.00 0.41 C ATOM 355 O TYR A 23 -4.701 -6.823 3.016 1.00 0.49 O ATOM 356 CB TYR A 23 -4.945 -3.824 1.828 1.00 0.52 C ATOM 357 CG TYR A 23 -4.214 -3.778 3.145 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.855 -3.379 4.304 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.889 -4.174 3.227 1.00 0.58 C ATOM 360 CE1 TYR A 23 -4.194 -3.372 5.516 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.215 -4.167 4.431 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.872 -3.768 5.573 1.00 0.63 C ATOM 363 OH TYR A 23 -2.209 -3.774 6.778 1.00 0.74 O ATOM 0 H TYR A 23 -6.657 -4.820 3.520 1.00 0.42 H new ATOM 0 HA TYR A 23 -6.144 -5.161 0.653 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.229 -3.731 1.011 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.621 -2.972 1.757 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.888 -3.068 4.260 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.375 -4.494 2.333 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.707 -3.059 6.413 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.180 -4.472 4.477 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.288 -4.080 6.643 1.00 0.74 H new ATOM 373 N HIS A 24 -4.148 -6.735 0.852 1.00 0.50 N ATOM 374 CA HIS A 24 -3.127 -7.756 0.941 1.00 0.57 C ATOM 375 C HIS A 24 -1.831 -7.219 0.391 1.00 0.60 C ATOM 376 O HIS A 24 -1.643 -7.173 -0.818 1.00 0.58 O ATOM 377 CB HIS A 24 -3.520 -9.005 0.153 1.00 0.61 C ATOM 378 CG HIS A 24 -2.465 -10.074 0.170 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.478 -10.140 1.134 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.243 -11.118 -0.661 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.699 -11.177 0.891 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.141 -11.784 -0.190 1.00 0.94 N ATOM 0 H HIS A 24 -4.301 -6.382 -0.093 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.012 -8.029 1.990 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.445 -9.410 0.565 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.727 -8.725 -0.880 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.368 -9.489 1.912 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -2.825 -11.378 -1.533 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.156 -11.477 1.479 1.00 0.88 H new ATOM 391 N CYS A 25 -0.948 -6.804 1.262 1.00 0.71 N ATOM 392 CA CYS A 25 0.347 -6.366 0.818 1.00 0.74 C ATOM 393 C CYS A 25 1.412 -7.333 1.301 1.00 0.91 C ATOM 394 O CYS A 25 1.343 -7.830 2.423 1.00 1.01 O ATOM 395 CB CYS A 25 0.617 -4.941 1.295 1.00 0.79 C ATOM 396 SG CYS A 25 1.648 -3.964 0.160 1.00 1.12 S ATOM 0 H CYS A 25 -1.100 -6.761 2.270 1.00 0.71 H new ATOM 0 HA CYS A 25 0.373 -6.356 -0.272 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.335 -4.429 1.436 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.105 -4.981 2.269 1.00 0.79 H new ATOM 401 N ARG A 26 2.360 -7.636 0.428 1.00 1.14 N ATOM 402 CA ARG A 26 3.405 -8.608 0.720 1.00 1.38 C ATOM 403 C ARG A 26 4.666 -8.270 -0.051 1.00 1.87 C ATOM 404 O ARG A 26 4.608 -7.604 -1.084 1.00 2.24 O ATOM 405 CB ARG A 26 2.959 -10.020 0.340 1.00 1.45 C ATOM 406 CG ARG A 26 2.628 -10.176 -1.136 1.00 2.13 C ATOM 407 CD ARG A 26 2.629 -11.635 -1.556 1.00 2.66 C ATOM 408 NE ARG A 26 3.980 -12.199 -1.576 1.00 3.26 N ATOM 409 CZ ARG A 26 4.237 -13.507 -1.612 1.00 4.00 C ATOM 410 NH1 ARG A 26 3.241 -14.383 -1.564 1.00 4.21 N ATOM 411 NH2 ARG A 26 5.491 -13.937 -1.689 1.00 4.86 N ATOM 0 H ARG A 26 2.428 -7.218 -0.500 1.00 1.14 H new ATOM 0 HA ARG A 26 3.603 -8.571 1.791 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.748 -10.725 0.604 1.00 1.45 H new ATOM 0 HB3 ARG A 26 2.083 -10.287 0.931 1.00 1.45 H new ATOM 0 HG2 ARG A 26 1.650 -9.739 -1.339 1.00 2.13 H new ATOM 0 HG3 ARG A 26 3.354 -9.624 -1.733 1.00 2.13 H new ATOM 0 HD2 ARG A 26 2.006 -12.210 -0.871 1.00 2.66 H new ATOM 0 HD3 ARG A 26 2.183 -11.728 -2.546 1.00 2.66 H new ATOM 0 HE ARG A 26 4.770 -11.554 -1.562 1.00 3.26 H new ATOM 0 HH11 ARG A 26 2.277 -14.056 -1.499 1.00 4.21 H new ATOM 0 HH12 ARG A 26 3.440 -15.383 -1.592 1.00 4.21 H new ATOM 0 HH21 ARG A 26 6.259 -13.267 -1.721 1.00 4.86 H new ATOM 0 HH22 ARG A 26 5.686 -14.938 -1.716 1.00 4.86 H new ATOM 425 N SER A 27 5.800 -8.718 0.460 1.00 2.10 N ATOM 426 CA SER A 27 7.052 -8.587 -0.251 1.00 2.66 C ATOM 427 C SER A 27 7.209 -9.751 -1.218 1.00 2.39 C ATOM 428 O SER A 27 6.464 -10.734 -1.134 1.00 2.70 O ATOM 429 CB SER A 27 8.230 -8.551 0.730 1.00 3.73 C ATOM 430 OG SER A 27 9.453 -8.286 0.062 1.00 4.43 O ATOM 0 H SER A 27 5.875 -9.177 1.368 1.00 2.10 H new ATOM 0 HA SER A 27 7.046 -7.651 -0.809 1.00 2.66 H new ATOM 0 HB2 SER A 27 8.053 -7.785 1.485 1.00 3.73 H new ATOM 0 HB3 SER A 27 8.299 -9.505 1.253 1.00 3.73 H new ATOM 0 HG SER A 27 9.599 -7.318 0.018 1.00 4.43 H new ATOM 436 N GLY A 28 8.154 -9.635 -2.140 1.00 2.45 N ATOM 437 CA GLY A 28 8.425 -10.718 -3.056 1.00 2.54 C ATOM 438 C GLY A 28 8.754 -11.983 -2.303 1.00 2.68 C ATOM 439 O GLY A 28 8.239 -13.060 -2.606 1.00 3.22 O ATOM 0 H GLY A 28 8.737 -8.808 -2.268 1.00 2.45 H new ATOM 0 HA2 GLY A 28 7.559 -10.885 -3.696 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.256 -10.450 -3.708 1.00 2.54 H new ATOM 443 N ASN A 29 9.588 -11.837 -1.287 1.00 2.60 N ATOM 444 CA ASN A 29 9.950 -12.964 -0.433 1.00 2.96 C ATOM 445 C ASN A 29 9.049 -13.040 0.798 1.00 2.76 C ATOM 446 O ASN A 29 8.370 -14.045 1.021 1.00 3.04 O ATOM 447 CB ASN A 29 11.416 -12.873 0.004 1.00 3.49 C ATOM 448 CG ASN A 29 11.796 -13.950 1.010 1.00 4.17 C ATOM 449 OD1 ASN A 29 11.664 -13.761 2.220 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.269 -15.085 0.522 1.00 4.63 N ATOM 0 H ASN A 29 10.028 -10.953 -1.031 1.00 2.60 H new ATOM 0 HA ASN A 29 9.812 -13.872 -1.021 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.058 -12.957 -0.873 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.601 -11.892 0.441 1.00 3.49 H new ATOM 0 HD21 ASN A 29 12.538 -15.839 1.154 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.365 -15.206 -0.486 1.00 4.63 H new ATOM 457 N THR A 30 9.029 -11.974 1.585 1.00 2.45 N ATOM 458 CA THR A 30 8.355 -11.992 2.876 1.00 2.33 C ATOM 459 C THR A 30 6.864 -11.665 2.753 1.00 2.07 C ATOM 460 O THR A 30 6.490 -10.554 2.376 1.00 2.10 O ATOM 461 CB THR A 30 9.011 -10.993 3.840 1.00 2.45 C ATOM 462 OG1 THR A 30 10.435 -11.027 3.681 1.00 2.93 O ATOM 463 CG2 THR A 30 8.657 -11.318 5.285 1.00 2.70 C ATOM 0 H THR A 30 9.472 -11.085 1.352 1.00 2.45 H new ATOM 0 HA THR A 30 8.452 -13.005 3.268 1.00 2.33 H new ATOM 0 HB THR A 30 8.636 -9.997 3.604 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.848 -10.387 4.297 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.134 -10.596 5.948 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.576 -11.270 5.414 1.00 2.70 H new ATOM 0 HG23 THR A 30 9.008 -12.321 5.529 1.00 2.70 H new ATOM 471 N ASN A 31 6.019 -12.637 3.069 1.00 1.97 N ATOM 472 CA ASN A 31 4.575 -12.420 3.094 1.00 1.75 C ATOM 473 C ASN A 31 4.133 -12.079 4.512 1.00 1.78 C ATOM 474 O ASN A 31 4.639 -12.651 5.476 1.00 2.34 O ATOM 475 CB ASN A 31 3.834 -13.664 2.595 1.00 2.09 C ATOM 476 CG ASN A 31 2.327 -13.474 2.566 1.00 2.43 C ATOM 477 OD1 ASN A 31 1.831 -12.362 2.370 1.00 2.89 O ATOM 478 ND2 ASN A 31 1.588 -14.556 2.759 1.00 2.98 N ATOM 0 H ASN A 31 6.307 -13.585 3.312 1.00 1.97 H new ATOM 0 HA ASN A 31 4.333 -11.589 2.432 1.00 1.75 H new ATOM 0 HB2 ASN A 31 4.184 -13.914 1.593 1.00 2.09 H new ATOM 0 HB3 ASN A 31 4.078 -14.510 3.238 1.00 2.09 H new ATOM 0 HD21 ASN A 31 0.570 -14.487 2.749 1.00 2.98 H new ATOM 0 HD22 ASN A 31 2.036 -15.458 2.918 1.00 2.98 H new ATOM 485 N VAL A 32 3.203 -11.140 4.643 1.00 1.39 N ATOM 486 CA VAL A 32 2.776 -10.679 5.957 1.00 1.52 C ATOM 487 C VAL A 32 1.340 -11.093 6.286 1.00 1.38 C ATOM 488 O VAL A 32 1.059 -11.539 7.403 1.00 2.10 O ATOM 489 CB VAL A 32 2.979 -9.173 6.135 1.00 2.13 C ATOM 490 CG1 VAL A 32 3.078 -8.565 4.788 1.00 2.68 C ATOM 491 CG2 VAL A 32 1.879 -8.553 6.968 1.00 2.64 C ATOM 0 H VAL A 32 2.733 -10.686 3.860 1.00 1.39 H new ATOM 0 HA VAL A 32 3.423 -11.180 6.677 1.00 1.52 H new ATOM 0 HB VAL A 32 3.900 -8.983 6.687 1.00 2.13 H new ATOM 0 HG11 VAL A 32 3.223 -7.489 4.884 1.00 2.68 H new ATOM 0 HG12 VAL A 32 3.923 -8.999 4.254 1.00 2.68 H new ATOM 0 HG13 VAL A 32 2.160 -8.759 4.233 1.00 2.68 H new ATOM 0 HG21 VAL A 32 2.060 -7.483 7.071 1.00 2.64 H new ATOM 0 HG22 VAL A 32 0.918 -8.713 6.479 1.00 2.64 H new ATOM 0 HG23 VAL A 32 1.865 -9.015 7.955 1.00 2.64 H new ATOM 501 N GLY A 33 0.431 -10.973 5.320 1.00 1.00 N ATOM 502 CA GLY A 33 -0.940 -11.294 5.582 1.00 1.43 C ATOM 503 C GLY A 33 -1.877 -10.407 4.810 1.00 0.99 C ATOM 504 O GLY A 33 -1.458 -9.670 3.908 1.00 1.13 O ATOM 0 H GLY A 33 0.630 -10.660 4.370 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -1.126 -12.335 5.320 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -1.140 -11.193 6.649 1.00 1.43 H new ATOM 508 N VAL A 34 -3.143 -10.481 5.158 1.00 0.80 N ATOM 509 CA VAL A 34 -4.183 -9.756 4.456 1.00 0.56 C ATOM 510 C VAL A 34 -5.139 -9.107 5.464 1.00 0.63 C ATOM 511 O VAL A 34 -6.093 -9.731 5.934 1.00 1.03 O ATOM 512 CB VAL A 34 -4.951 -10.709 3.522 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.971 -9.949 2.696 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.975 -11.449 2.624 1.00 1.06 C ATOM 0 H VAL A 34 -3.482 -11.046 5.937 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.727 -8.971 3.853 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.490 -11.436 4.130 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.501 -10.643 2.044 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.683 -9.458 3.359 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.463 -9.199 2.090 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.525 -12.122 1.966 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.416 -10.731 2.024 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.283 -12.026 3.237 1.00 1.06 H new ATOM 524 N GLN A 35 -4.865 -7.856 5.802 1.00 0.63 N ATOM 525 CA GLN A 35 -5.565 -7.167 6.881 1.00 0.85 C ATOM 526 C GLN A 35 -6.628 -6.200 6.368 1.00 0.70 C ATOM 527 O GLN A 35 -6.579 -5.756 5.226 1.00 0.82 O ATOM 528 CB GLN A 35 -4.565 -6.399 7.721 1.00 1.45 C ATOM 529 CG GLN A 35 -3.958 -7.218 8.842 1.00 2.06 C ATOM 530 CD GLN A 35 -3.181 -8.434 8.372 1.00 2.71 C ATOM 531 OE1 GLN A 35 -2.003 -8.339 8.033 1.00 3.16 O ATOM 532 NE2 GLN A 35 -3.820 -9.592 8.396 1.00 3.28 N ATOM 0 H GLN A 35 -4.154 -7.290 5.339 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.070 -7.929 7.475 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.766 -6.033 7.076 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -5.057 -5.524 8.147 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -3.294 -6.580 9.425 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -4.754 -7.545 9.510 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -4.798 -9.629 8.684 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -3.335 -10.448 8.127 1.00 3.28 H new ATOM 541 N TYR A 36 -7.585 -5.872 7.229 1.00 0.78 N ATOM 542 CA TYR A 36 -8.557 -4.822 6.937 1.00 0.73 C ATOM 543 C TYR A 36 -8.170 -3.547 7.661 1.00 0.78 C ATOM 544 O TYR A 36 -7.423 -3.585 8.645 1.00 1.06 O ATOM 545 CB TYR A 36 -9.971 -5.222 7.317 1.00 0.94 C ATOM 546 CG TYR A 36 -10.110 -5.584 8.750 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.639 -6.784 9.225 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.709 -4.713 9.615 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.756 -7.115 10.552 1.00 3.04 C ATOM 550 CE2 TYR A 36 -10.846 -5.018 10.952 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.370 -6.289 11.404 1.00 3.57 C ATOM 552 OH TYR A 36 -10.484 -6.544 12.755 1.00 4.60 O ATOM 0 H TYR A 36 -7.709 -6.319 8.137 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.544 -4.657 5.860 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.648 -4.399 7.089 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.280 -6.068 6.703 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.169 -7.478 8.544 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.082 -3.769 9.245 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.349 -8.049 10.910 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -11.299 -4.318 11.638 1.00 3.13 H new ATOM 0 HH TYR A 36 -10.968 -5.809 13.187 1.00 4.60 H new ATOM 562 N LEU A 37 -8.676 -2.425 7.194 1.00 0.72 N ATOM 563 CA LEU A 37 -8.355 -1.153 7.804 1.00 0.89 C ATOM 564 C LEU A 37 -9.625 -0.337 7.961 1.00 0.70 C ATOM 565 O LEU A 37 -10.404 -0.189 7.009 1.00 0.61 O ATOM 566 CB LEU A 37 -7.294 -0.411 6.970 1.00 1.23 C ATOM 567 CG LEU A 37 -6.578 0.765 7.661 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.284 2.076 7.384 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.475 0.540 9.161 1.00 2.57 C ATOM 0 H LEU A 37 -9.309 -2.368 6.396 1.00 0.72 H new ATOM 0 HA LEU A 37 -7.929 -1.315 8.794 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.540 -1.133 6.656 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.772 -0.036 6.065 1.00 1.23 H new ATOM 0 HG LEU A 37 -5.571 0.818 7.247 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.755 2.887 7.885 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.299 2.261 6.310 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.307 2.025 7.757 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -5.965 1.386 9.622 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -7.475 0.445 9.584 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.911 -0.372 9.354 1.00 2.57 H new ATOM 581 N ASN A 38 -9.839 0.136 9.182 1.00 0.78 N ATOM 582 CA ASN A 38 -11.023 0.904 9.532 1.00 0.73 C ATOM 583 C ASN A 38 -10.853 2.353 9.125 1.00 0.68 C ATOM 584 O ASN A 38 -9.745 2.817 8.877 1.00 0.75 O ATOM 585 CB ASN A 38 -11.277 0.859 11.046 1.00 0.94 C ATOM 586 CG ASN A 38 -11.489 -0.539 11.606 1.00 1.62 C ATOM 587 OD1 ASN A 38 -10.945 -1.524 11.107 1.00 2.32 O ATOM 588 ND2 ASN A 38 -12.281 -0.629 12.661 1.00 2.29 N ATOM 0 H ASN A 38 -9.193 -0.004 9.959 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.867 0.461 9.004 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.431 1.318 11.558 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.154 1.465 11.273 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -12.459 -1.538 13.089 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -12.714 0.210 13.047 1.00 2.29 H new ATOM 595 N PHE A 39 -11.955 3.071 9.088 1.00 0.68 N ATOM 596 CA PHE A 39 -11.917 4.487 8.768 1.00 0.72 C ATOM 597 C PHE A 39 -11.482 5.283 9.987 1.00 0.83 C ATOM 598 O PHE A 39 -12.253 5.464 10.932 1.00 1.66 O ATOM 599 CB PHE A 39 -13.271 4.970 8.264 1.00 0.85 C ATOM 600 CG PHE A 39 -13.447 6.467 8.307 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.763 7.273 7.410 1.00 1.35 C ATOM 602 CD2 PHE A 39 -14.290 7.070 9.233 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.911 8.644 7.433 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.438 8.445 9.256 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.794 9.224 8.417 1.00 2.03 C ATOM 0 H PHE A 39 -12.887 2.701 9.275 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.191 4.642 7.970 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.407 4.628 7.238 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -14.056 4.506 8.861 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.105 6.821 6.683 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.833 6.460 9.940 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.379 9.269 6.731 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -15.101 8.890 9.983 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.925 10.295 8.463 1.00 2.03 H new ATOM 615 N LYS A 40 -10.237 5.737 9.957 1.00 0.86 N ATOM 616 CA LYS A 40 -9.675 6.531 11.041 1.00 0.97 C ATOM 617 C LYS A 40 -8.241 6.918 10.723 1.00 0.72 C ATOM 618 O LYS A 40 -7.915 8.102 10.613 1.00 1.17 O ATOM 619 CB LYS A 40 -9.711 5.766 12.366 1.00 1.52 C ATOM 620 CG LYS A 40 -9.290 6.607 13.562 1.00 2.18 C ATOM 621 CD LYS A 40 -9.325 5.807 14.853 1.00 2.89 C ATOM 622 CE LYS A 40 -8.996 6.676 16.057 1.00 3.36 C ATOM 623 NZ LYS A 40 -7.644 7.288 15.954 1.00 3.76 N ATOM 0 H LYS A 40 -9.591 5.567 9.186 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.283 7.430 11.141 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -10.721 5.391 12.533 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -9.056 4.898 12.293 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -8.283 6.992 13.400 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -9.950 7.470 13.651 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -10.313 5.365 14.981 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -8.613 4.984 14.792 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -9.744 7.464 16.150 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -9.053 6.074 16.964 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -7.393 7.730 16.861 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -6.947 6.552 15.722 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -7.646 8.011 15.206 1.00 3.76 H new ATOM 637 N GLY A 41 -7.390 5.914 10.554 1.00 0.71 N ATOM 638 CA GLY A 41 -5.980 6.173 10.372 1.00 1.13 C ATOM 639 C GLY A 41 -5.337 5.302 9.312 1.00 0.94 C ATOM 640 O GLY A 41 -5.723 5.341 8.145 1.00 1.09 O ATOM 0 H GLY A 41 -7.653 4.928 10.540 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -5.843 7.220 10.103 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.465 6.018 11.320 1.00 1.13 H new ATOM 644 N THR A 42 -4.372 4.499 9.732 1.00 0.82 N ATOM 645 CA THR A 42 -3.513 3.767 8.811 1.00 0.68 C ATOM 646 C THR A 42 -3.280 2.334 9.277 1.00 0.65 C ATOM 647 O THR A 42 -3.522 1.997 10.437 1.00 0.75 O ATOM 648 CB THR A 42 -2.154 4.476 8.683 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.754 5.004 9.952 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.215 5.597 7.667 1.00 0.71 C ATOM 0 H THR A 42 -4.162 4.336 10.717 1.00 0.82 H new ATOM 0 HA THR A 42 -4.018 3.740 7.845 1.00 0.68 H new ATOM 0 HB THR A 42 -1.424 3.741 8.344 1.00 0.69 H new ATOM 0 HG1 THR A 42 -0.955 5.559 9.838 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.240 6.079 7.598 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.488 5.191 6.693 1.00 0.71 H new ATOM 0 HG23 THR A 42 -2.961 6.329 7.977 1.00 0.71 H new ATOM 658 N ARG A 43 -2.819 1.500 8.360 1.00 0.58 N ATOM 659 CA ARG A 43 -2.379 0.153 8.678 1.00 0.58 C ATOM 660 C ARG A 43 -0.998 -0.011 8.093 1.00 0.52 C ATOM 661 O ARG A 43 -0.842 -0.057 6.873 1.00 0.50 O ATOM 662 CB ARG A 43 -3.322 -0.902 8.098 1.00 0.67 C ATOM 663 CG ARG A 43 -3.925 -1.844 9.139 1.00 0.86 C ATOM 664 CD ARG A 43 -2.902 -2.822 9.712 1.00 1.27 C ATOM 665 NE ARG A 43 -1.960 -2.191 10.641 1.00 1.59 N ATOM 666 CZ ARG A 43 -0.714 -2.629 10.850 1.00 2.26 C ATOM 667 NH1 ARG A 43 -0.247 -3.672 10.175 1.00 2.74 N ATOM 668 NH2 ARG A 43 0.068 -2.019 11.729 1.00 3.01 N ATOM 0 H ARG A 43 -2.739 1.739 7.372 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.374 0.012 9.759 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -4.131 -0.398 7.569 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.778 -1.493 7.361 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -4.353 -1.256 9.951 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -4.743 -2.404 8.686 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -3.427 -3.627 10.227 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -2.345 -3.277 8.893 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.273 -1.370 11.158 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -0.839 -4.144 9.492 1.00 2.74 H new ATOM 0 HH12 ARG A 43 0.704 -4.001 10.339 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -0.280 -1.213 12.248 1.00 3.01 H new ATOM 0 HH22 ARG A 43 1.018 -2.355 11.886 1.00 3.01 H new ATOM 682 N ILE A 44 0.006 -0.065 8.944 1.00 0.52 N ATOM 683 CA ILE A 44 1.361 0.036 8.462 1.00 0.51 C ATOM 684 C ILE A 44 2.125 -1.265 8.560 1.00 0.58 C ATOM 685 O ILE A 44 2.257 -1.872 9.625 1.00 0.66 O ATOM 686 CB ILE A 44 2.154 1.147 9.166 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.438 2.475 9.012 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.534 1.260 8.560 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.453 2.779 10.119 1.00 0.61 C ATOM 0 H ILE A 44 -0.090 -0.176 9.953 1.00 0.52 H new ATOM 0 HA ILE A 44 1.260 0.291 7.407 1.00 0.51 H new ATOM 0 HB ILE A 44 2.237 0.897 10.224 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.180 3.273 8.971 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.910 2.482 8.059 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.090 2.050 9.065 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.062 0.313 8.677 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.447 1.498 7.500 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.016 3.746 9.934 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.313 2.004 10.148 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.977 2.807 11.075 1.00 0.61 H new ATOM 701 N ILE A 45 2.614 -1.668 7.414 1.00 0.61 N ATOM 702 CA ILE A 45 3.516 -2.781 7.284 1.00 0.74 C ATOM 703 C ILE A 45 4.931 -2.291 7.375 1.00 0.77 C ATOM 704 O ILE A 45 5.184 -1.120 7.139 1.00 0.79 O ATOM 705 CB ILE A 45 3.340 -3.424 5.945 1.00 0.95 C ATOM 706 CG1 ILE A 45 1.925 -3.789 5.774 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.216 -4.643 5.764 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.636 -4.080 4.349 1.00 1.20 C ATOM 0 H ILE A 45 2.390 -1.220 6.526 1.00 0.61 H new ATOM 0 HA ILE A 45 3.304 -3.497 8.078 1.00 0.74 H new ATOM 0 HB ILE A 45 3.645 -2.704 5.185 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.691 -4.661 6.385 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.288 -2.976 6.122 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.047 -5.069 4.775 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.263 -4.356 5.862 1.00 1.62 H new ATOM 0 HG23 ILE A 45 3.970 -5.384 6.525 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.585 -4.348 4.238 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.850 -3.197 3.747 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.260 -4.909 4.013 1.00 1.20 H new ATOM 720 N LYS A 46 5.850 -3.171 7.675 1.00 0.90 N ATOM 721 CA LYS A 46 7.250 -2.794 7.666 1.00 0.97 C ATOM 722 C LYS A 46 8.116 -3.917 7.118 1.00 1.10 C ATOM 723 O LYS A 46 7.887 -5.092 7.416 1.00 1.20 O ATOM 724 CB LYS A 46 7.752 -2.431 9.068 1.00 1.10 C ATOM 725 CG LYS A 46 6.897 -1.427 9.829 1.00 1.35 C ATOM 726 CD LYS A 46 7.636 -0.890 11.042 1.00 1.85 C ATOM 727 CE LYS A 46 7.993 -1.999 12.017 1.00 2.11 C ATOM 728 NZ LYS A 46 9.085 -1.596 12.936 1.00 2.65 N ATOM 0 H LYS A 46 5.665 -4.142 7.926 1.00 0.90 H new ATOM 0 HA LYS A 46 7.329 -1.918 7.022 1.00 0.97 H new ATOM 0 HB2 LYS A 46 7.821 -3.345 9.658 1.00 1.10 H new ATOM 0 HB3 LYS A 46 8.762 -2.030 8.981 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.625 -0.602 9.170 1.00 1.35 H new ATOM 0 HG3 LYS A 46 5.968 -1.901 10.146 1.00 1.35 H new ATOM 0 HD2 LYS A 46 8.545 -0.382 10.719 1.00 1.85 H new ATOM 0 HD3 LYS A 46 7.018 -0.147 11.546 1.00 1.85 H new ATOM 0 HE2 LYS A 46 7.111 -2.270 12.598 1.00 2.11 H new ATOM 0 HE3 LYS A 46 8.295 -2.887 11.462 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 9.207 -2.323 13.669 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 9.970 -1.493 12.399 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 8.844 -0.689 13.384 1.00 2.65 H new ATOM 742 N PHE A 47 9.123 -3.547 6.339 1.00 1.20 N ATOM 743 CA PHE A 47 10.094 -4.509 5.822 1.00 1.41 C ATOM 744 C PHE A 47 11.490 -3.899 5.813 1.00 1.59 C ATOM 745 O PHE A 47 11.686 -2.779 5.343 1.00 1.68 O ATOM 746 CB PHE A 47 9.725 -4.982 4.413 1.00 1.50 C ATOM 747 CG PHE A 47 8.546 -5.914 4.367 1.00 1.87 C ATOM 748 CD1 PHE A 47 7.355 -5.520 3.781 1.00 2.53 C ATOM 749 CD2 PHE A 47 8.630 -7.187 4.909 1.00 2.17 C ATOM 750 CE1 PHE A 47 6.274 -6.375 3.734 1.00 3.14 C ATOM 751 CE2 PHE A 47 7.551 -8.043 4.866 1.00 2.69 C ATOM 752 CZ PHE A 47 6.372 -7.638 4.279 1.00 3.10 C ATOM 0 H PHE A 47 9.292 -2.584 6.049 1.00 1.20 H new ATOM 0 HA PHE A 47 10.081 -5.375 6.483 1.00 1.41 H new ATOM 0 HB2 PHE A 47 9.510 -4.111 3.794 1.00 1.50 H new ATOM 0 HB3 PHE A 47 10.587 -5.482 3.972 1.00 1.50 H new ATOM 0 HD1 PHE A 47 7.272 -4.531 3.355 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.551 -7.512 5.370 1.00 2.17 H new ATOM 0 HE1 PHE A 47 5.352 -6.056 3.271 1.00 3.14 H new ATOM 0 HE2 PHE A 47 7.629 -9.032 5.293 1.00 2.69 H new ATOM 0 HZ PHE A 47 5.526 -8.309 4.246 1.00 3.10 H new ATOM 762 N LYS A 48 12.459 -4.639 6.329 1.00 1.83 N ATOM 763 CA LYS A 48 13.818 -4.133 6.448 1.00 2.13 C ATOM 764 C LYS A 48 14.812 -5.028 5.713 1.00 2.50 C ATOM 765 O LYS A 48 14.762 -6.256 5.835 1.00 3.01 O ATOM 766 CB LYS A 48 14.203 -4.000 7.921 1.00 2.46 C ATOM 767 CG LYS A 48 14.084 -5.287 8.721 1.00 3.10 C ATOM 768 CD LYS A 48 14.338 -5.037 10.198 1.00 3.81 C ATOM 769 CE LYS A 48 14.212 -6.312 11.016 1.00 4.36 C ATOM 770 NZ LYS A 48 12.871 -6.940 10.881 1.00 4.90 N ATOM 0 H LYS A 48 12.330 -5.591 6.672 1.00 1.83 H new ATOM 0 HA LYS A 48 13.854 -3.148 5.982 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.230 -3.641 7.984 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.571 -3.241 8.382 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.089 -5.712 8.587 1.00 3.10 H new ATOM 0 HG3 LYS A 48 14.797 -6.020 8.345 1.00 3.10 H new ATOM 0 HD2 LYS A 48 15.336 -4.618 10.329 1.00 3.81 H new ATOM 0 HD3 LYS A 48 13.630 -4.296 10.568 1.00 3.81 H new ATOM 0 HE2 LYS A 48 14.976 -7.021 10.699 1.00 4.36 H new ATOM 0 HE3 LYS A 48 14.401 -6.088 12.066 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 12.754 -7.669 11.613 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 12.135 -6.214 10.995 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 12.785 -7.376 9.941 1.00 4.90 H new ATOM 879 N ARG A 56 8.930 -7.345 -4.823 1.00 3.37 N ATOM 880 CA ARG A 56 8.925 -6.457 -3.682 1.00 2.70 C ATOM 881 C ARG A 56 7.511 -6.351 -3.135 1.00 2.24 C ATOM 882 O ARG A 56 6.791 -7.343 -3.091 1.00 2.47 O ATOM 883 CB ARG A 56 9.439 -5.095 -4.118 1.00 3.43 C ATOM 884 CG ARG A 56 10.242 -4.365 -3.051 1.00 4.15 C ATOM 885 CD ARG A 56 11.513 -5.119 -2.712 1.00 4.75 C ATOM 886 NE ARG A 56 12.152 -4.621 -1.497 1.00 5.53 N ATOM 887 CZ ARG A 56 12.594 -5.420 -0.523 1.00 6.18 C ATOM 888 NH1 ARG A 56 12.374 -6.727 -0.586 1.00 6.21 N ATOM 889 NH2 ARG A 56 13.246 -4.913 0.518 1.00 7.08 N ATOM 0 HA ARG A 56 9.572 -6.844 -2.895 1.00 2.70 H new ATOM 0 HB2 ARG A 56 10.061 -5.220 -5.004 1.00 3.43 H new ATOM 0 HB3 ARG A 56 8.591 -4.474 -4.408 1.00 3.43 H new ATOM 0 HG2 ARG A 56 10.492 -3.364 -3.401 1.00 4.15 H new ATOM 0 HG3 ARG A 56 9.636 -4.246 -2.153 1.00 4.15 H new ATOM 0 HD2 ARG A 56 11.282 -6.177 -2.590 1.00 4.75 H new ATOM 0 HD3 ARG A 56 12.212 -5.040 -3.545 1.00 4.75 H new ATOM 0 HE ARG A 56 12.266 -3.613 -1.387 1.00 5.53 H new ATOM 0 HH11 ARG A 56 11.867 -7.121 -1.379 1.00 6.21 H new ATOM 0 HH12 ARG A 56 12.712 -7.337 0.158 1.00 6.21 H new ATOM 0 HH21 ARG A 56 13.411 -3.908 0.576 1.00 7.08 H new ATOM 0 HH22 ARG A 56 13.581 -5.529 1.259 1.00 7.08 H new ATOM 903 N TRP A 57 7.104 -5.159 -2.756 1.00 1.83 N ATOM 904 CA TRP A 57 5.855 -4.982 -2.045 1.00 1.49 C ATOM 905 C TRP A 57 4.725 -4.603 -2.996 1.00 1.19 C ATOM 906 O TRP A 57 4.875 -3.725 -3.842 1.00 1.43 O ATOM 907 CB TRP A 57 6.053 -3.927 -0.951 1.00 1.69 C ATOM 908 CG TRP A 57 7.304 -4.184 -0.164 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.652 -5.361 0.415 1.00 1.56 C ATOM 910 CD2 TRP A 57 8.374 -3.270 0.124 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.879 -5.255 1.013 1.00 1.85 N ATOM 912 CE2 TRP A 57 9.336 -3.978 0.866 1.00 2.70 C ATOM 913 CE3 TRP A 57 8.616 -1.929 -0.169 1.00 3.91 C ATOM 914 CZ2 TRP A 57 10.517 -3.394 1.311 1.00 3.65 C ATOM 915 CZ3 TRP A 57 9.788 -1.348 0.276 1.00 4.90 C ATOM 916 CH2 TRP A 57 10.726 -2.080 1.009 1.00 4.75 C ATOM 0 H TRP A 57 7.620 -4.296 -2.928 1.00 1.83 H new ATOM 0 HA TRP A 57 5.565 -5.925 -1.581 1.00 1.49 H new ATOM 0 HB2 TRP A 57 6.103 -2.936 -1.403 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.193 -3.929 -0.281 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.046 -6.255 0.405 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.372 -6.009 1.491 1.00 1.85 H new ATOM 0 HE3 TRP A 57 7.899 -1.353 -0.735 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 11.243 -3.960 1.876 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 9.983 -0.309 0.053 1.00 4.90 H new ATOM 0 HH2 TRP A 57 11.633 -1.597 1.342 1.00 4.75 H new ATOM 927 N ASN A 58 3.610 -5.304 -2.881 1.00 0.91 N ATOM 928 CA ASN A 58 2.410 -4.979 -3.642 1.00 0.71 C ATOM 929 C ASN A 58 1.179 -5.191 -2.764 1.00 0.59 C ATOM 930 O ASN A 58 1.047 -6.223 -2.104 1.00 0.71 O ATOM 931 CB ASN A 58 2.317 -5.808 -4.938 1.00 0.74 C ATOM 932 CG ASN A 58 2.169 -7.308 -4.713 1.00 1.23 C ATOM 933 OD1 ASN A 58 2.656 -7.865 -3.729 1.00 2.05 O ATOM 934 ND2 ASN A 58 1.502 -7.977 -5.644 1.00 1.91 N ATOM 0 H ASN A 58 3.508 -6.109 -2.263 1.00 0.91 H new ATOM 0 HA ASN A 58 2.460 -3.932 -3.940 1.00 0.71 H new ATOM 0 HB2 ASN A 58 1.467 -5.454 -5.522 1.00 0.74 H new ATOM 0 HB3 ASN A 58 3.211 -5.628 -5.535 1.00 0.74 H new ATOM 0 HD21 ASN A 58 1.379 -8.986 -5.558 1.00 1.91 H new ATOM 0 HD22 ASN A 58 1.112 -7.483 -6.446 1.00 1.91 H new ATOM 941 N CYS A 59 0.302 -4.198 -2.729 1.00 0.55 N ATOM 942 CA CYS A 59 -0.879 -4.243 -1.876 1.00 0.50 C ATOM 943 C CYS A 59 -2.118 -4.421 -2.741 1.00 0.44 C ATOM 944 O CYS A 59 -2.342 -3.647 -3.663 1.00 0.56 O ATOM 945 CB CYS A 59 -1.020 -2.948 -1.064 1.00 0.60 C ATOM 946 SG CYS A 59 0.511 -2.331 -0.265 1.00 0.76 S ATOM 0 H CYS A 59 0.386 -3.347 -3.284 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.773 -5.080 -1.186 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.402 -2.169 -1.723 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.771 -3.107 -0.291 1.00 0.60 H new ATOM 951 N LEU A 60 -2.930 -5.420 -2.453 1.00 0.36 N ATOM 952 CA LEU A 60 -4.086 -5.688 -3.265 1.00 0.34 C ATOM 953 C LEU A 60 -5.298 -5.662 -2.377 1.00 0.29 C ATOM 954 O LEU A 60 -5.328 -6.328 -1.359 1.00 0.32 O ATOM 955 CB LEU A 60 -3.972 -7.049 -3.968 1.00 0.44 C ATOM 956 CG LEU A 60 -2.811 -7.194 -4.961 1.00 1.27 C ATOM 957 CD1 LEU A 60 -1.504 -7.482 -4.237 1.00 1.90 C ATOM 958 CD2 LEU A 60 -3.106 -8.288 -5.972 1.00 1.85 C ATOM 0 H LEU A 60 -2.805 -6.054 -1.664 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.166 -4.928 -4.042 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.872 -7.823 -3.207 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.905 -7.242 -4.498 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.704 -6.248 -5.492 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -0.699 -7.580 -4.965 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -1.278 -6.663 -3.554 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -1.598 -8.410 -3.672 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -2.271 -8.376 -6.667 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.246 -9.236 -5.452 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -4.013 -8.039 -6.523 1.00 1.85 H new ATOM 970 N PHE A 61 -6.308 -4.936 -2.765 1.00 0.29 N ATOM 971 CA PHE A 61 -7.460 -4.784 -1.901 1.00 0.28 C ATOM 972 C PHE A 61 -8.478 -5.810 -2.339 1.00 0.37 C ATOM 973 O PHE A 61 -8.925 -5.784 -3.468 1.00 0.48 O ATOM 974 CB PHE A 61 -8.032 -3.359 -1.999 1.00 0.32 C ATOM 975 CG PHE A 61 -7.240 -2.300 -1.277 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.858 -2.249 -1.385 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.878 -1.305 -0.559 1.00 0.54 C ATOM 978 CE1 PHE A 61 -5.140 -1.242 -0.802 1.00 0.63 C ATOM 979 CE2 PHE A 61 -7.157 -0.295 0.038 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.785 -0.258 -0.091 1.00 0.37 C ATOM 0 H PHE A 61 -6.365 -4.445 -3.657 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.185 -4.940 -0.858 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.102 -3.084 -3.051 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -9.048 -3.364 -1.603 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.340 -3.018 -1.939 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.954 -1.320 -0.465 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -4.065 -1.220 -0.900 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -7.667 0.468 0.607 1.00 0.57 H new ATOM 0 HZ PHE A 61 -5.219 0.541 0.365 1.00 0.37 H new ATOM 990 N ARG A 62 -8.835 -6.723 -1.456 1.00 0.47 N ATOM 991 CA ARG A 62 -9.421 -7.980 -1.902 1.00 0.66 C ATOM 992 C ARG A 62 -10.052 -8.779 -0.773 1.00 0.89 C ATOM 993 O ARG A 62 -9.663 -8.662 0.390 1.00 1.05 O ATOM 994 CB ARG A 62 -8.332 -8.850 -2.532 1.00 0.84 C ATOM 995 CG ARG A 62 -7.154 -9.114 -1.604 1.00 1.49 C ATOM 996 CD ARG A 62 -6.401 -10.374 -1.991 1.00 1.88 C ATOM 997 NE ARG A 62 -5.891 -10.334 -3.361 1.00 2.29 N ATOM 998 CZ ARG A 62 -5.168 -11.312 -3.905 1.00 2.86 C ATOM 999 NH1 ARG A 62 -4.865 -12.390 -3.189 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -4.755 -11.217 -5.161 1.00 3.63 N ATOM 0 H ARG A 62 -8.734 -6.626 -0.446 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.204 -7.721 -2.615 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -8.768 -9.803 -2.833 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -7.969 -8.365 -3.438 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -6.474 -8.262 -1.629 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -7.513 -9.206 -0.579 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -5.568 -10.519 -1.303 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -7.061 -11.234 -1.879 1.00 1.88 H new ATOM 0 HE ARG A 62 -6.100 -9.514 -3.930 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -5.186 -12.468 -2.224 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -4.312 -13.139 -3.605 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -4.991 -10.393 -5.714 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -4.202 -11.968 -5.574 1.00 3.63 H new ATOM 1014 N GLN A 63 -11.025 -9.596 -1.139 1.00 1.13 N ATOM 1015 CA GLN A 63 -11.504 -10.662 -0.273 1.00 1.48 C ATOM 1016 C GLN A 63 -11.546 -11.969 -1.063 1.00 2.09 C ATOM 1017 O GLN A 63 -11.480 -13.062 -0.502 1.00 2.68 O ATOM 1018 CB GLN A 63 -12.882 -10.347 0.313 1.00 1.69 C ATOM 1019 CG GLN A 63 -13.341 -11.373 1.337 1.00 2.15 C ATOM 1020 CD GLN A 63 -14.724 -11.090 1.883 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -15.570 -10.510 1.204 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -14.968 -11.511 3.112 1.00 3.03 N ATOM 0 H GLN A 63 -11.503 -9.541 -2.038 1.00 1.13 H new ATOM 0 HA GLN A 63 -10.815 -10.758 0.566 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -12.856 -9.362 0.780 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -13.612 -10.297 -0.495 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -13.333 -12.362 0.880 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -12.629 -11.397 2.162 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -14.239 -11.988 3.642 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -15.886 -11.359 3.530 1.00 3.03 H new ATOM 1031 N GLY A 64 -11.646 -11.832 -2.385 1.00 2.55 N ATOM 1032 CA GLY A 64 -11.589 -12.980 -3.270 1.00 3.28 C ATOM 1033 C GLY A 64 -12.946 -13.577 -3.547 1.00 3.41 C ATOM 1034 O GLY A 64 -13.417 -14.438 -2.808 1.00 3.88 O ATOM 0 H GLY A 64 -11.766 -10.937 -2.859 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -11.129 -12.683 -4.213 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -10.946 -13.741 -2.828 1.00 3.28 H new ATOM 1038 N ILE A 65 -13.580 -13.108 -4.613 1.00 3.49 N ATOM 1039 CA ILE A 65 -14.890 -13.588 -4.997 1.00 3.94 C ATOM 1040 C ILE A 65 -15.208 -13.224 -6.458 1.00 4.01 C ATOM 1041 O ILE A 65 -15.005 -14.033 -7.362 1.00 4.32 O ATOM 1042 CB ILE A 65 -15.947 -13.059 -4.010 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -17.382 -13.239 -4.527 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -15.646 -11.623 -3.660 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -17.793 -14.686 -4.701 1.00 5.57 C ATOM 0 H ILE A 65 -13.200 -12.389 -5.229 1.00 3.49 H new ATOM 0 HA ILE A 65 -14.905 -14.677 -4.946 1.00 3.94 H new ATOM 0 HB ILE A 65 -15.888 -13.658 -3.101 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -18.071 -12.756 -3.834 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -17.480 -12.726 -5.484 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -16.397 -11.254 -2.961 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -14.660 -11.560 -3.200 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -15.663 -11.016 -4.565 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -18.818 -14.731 -5.069 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -17.129 -15.169 -5.417 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -17.728 -15.200 -3.742 1.00 5.57 H new ATOM 1057 N ASN A 66 -15.691 -12.014 -6.684 1.00 4.06 N ATOM 1058 CA ASN A 66 -15.983 -11.524 -8.023 1.00 4.27 C ATOM 1059 C ASN A 66 -15.008 -10.406 -8.355 1.00 4.09 C ATOM 1060 O ASN A 66 -13.890 -10.396 -7.848 1.00 4.26 O ATOM 1061 CB ASN A 66 -17.432 -11.025 -8.101 1.00 4.76 C ATOM 1062 CG ASN A 66 -18.442 -12.135 -7.885 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -18.181 -13.297 -8.192 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -19.605 -11.788 -7.356 1.00 6.08 N ATOM 0 H ASN A 66 -15.892 -11.342 -5.944 1.00 4.06 H new ATOM 0 HA ASN A 66 -15.869 -12.330 -8.748 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -17.586 -10.248 -7.352 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -17.603 -10.567 -9.075 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -20.321 -12.495 -7.190 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -19.785 -10.814 -7.114 1.00 6.08 H new ATOM 1071 N MET A 67 -15.405 -9.474 -9.209 1.00 4.09 N ATOM 1072 CA MET A 67 -14.626 -8.253 -9.387 1.00 4.13 C ATOM 1073 C MET A 67 -14.841 -7.332 -8.192 1.00 3.60 C ATOM 1074 O MET A 67 -14.123 -6.347 -8.004 1.00 3.77 O ATOM 1075 CB MET A 67 -14.986 -7.544 -10.692 1.00 4.54 C ATOM 1076 CG MET A 67 -14.332 -8.171 -11.909 1.00 5.19 C ATOM 1077 SD MET A 67 -12.530 -8.123 -11.816 1.00 6.00 S ATOM 1078 CE MET A 67 -12.092 -8.985 -13.322 1.00 6.30 C ATOM 0 H MET A 67 -16.247 -9.535 -9.782 1.00 4.09 H new ATOM 0 HA MET A 67 -13.571 -8.521 -9.447 1.00 4.13 H new ATOM 0 HB2 MET A 67 -16.068 -7.559 -10.820 1.00 4.54 H new ATOM 0 HB3 MET A 67 -14.687 -6.498 -10.625 1.00 4.54 H new ATOM 0 HG2 MET A 67 -14.662 -9.206 -12.004 1.00 5.19 H new ATOM 0 HG3 MET A 67 -14.662 -7.648 -12.807 1.00 5.19 H new ATOM 0 HE1 MET A 67 -11.007 -9.038 -13.409 1.00 6.30 H new ATOM 0 HE2 MET A 67 -12.503 -9.994 -13.296 1.00 6.30 H new ATOM 0 HE3 MET A 67 -12.499 -8.449 -14.179 1.00 6.30 H new ATOM 1088 N LYS A 68 -15.843 -7.667 -7.390 1.00 3.30 N ATOM 1089 CA LYS A 68 -16.081 -6.991 -6.125 1.00 3.12 C ATOM 1090 C LYS A 68 -14.993 -7.405 -5.137 1.00 2.78 C ATOM 1091 O LYS A 68 -14.459 -8.511 -5.244 1.00 3.25 O ATOM 1092 CB LYS A 68 -17.459 -7.372 -5.569 1.00 3.71 C ATOM 1093 CG LYS A 68 -18.562 -7.429 -6.619 1.00 4.30 C ATOM 1094 CD LYS A 68 -18.868 -6.067 -7.226 1.00 4.85 C ATOM 1095 CE LYS A 68 -19.572 -5.153 -6.236 1.00 5.37 C ATOM 1096 NZ LYS A 68 -20.072 -3.915 -6.886 1.00 5.81 N ATOM 0 H LYS A 68 -16.509 -8.411 -7.598 1.00 3.30 H new ATOM 0 HA LYS A 68 -16.057 -5.912 -6.278 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -17.386 -8.344 -5.082 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -17.741 -6.651 -4.801 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -18.268 -8.117 -7.411 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -19.468 -7.832 -6.166 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -17.940 -5.599 -7.556 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -19.493 -6.195 -8.110 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -20.406 -5.686 -5.779 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -18.884 -4.889 -5.433 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -20.546 -3.318 -6.178 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -19.273 -3.393 -7.300 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -20.748 -4.165 -7.636 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.686 -6.535 -4.176 1.00 2.52 N ATOM 1111 CA PHE A 69 -13.609 -6.789 -3.211 1.00 2.44 C ATOM 1112 C PHE A 69 -12.284 -7.052 -3.936 1.00 2.04 C ATOM 1113 O PHE A 69 -11.653 -8.083 -3.699 1.00 2.83 O ATOM 1114 CB PHE A 69 -13.928 -8.015 -2.334 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.212 -7.939 -1.558 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -15.218 -7.493 -0.248 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -16.410 -8.337 -2.130 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -16.392 -7.441 0.476 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -17.588 -8.284 -1.414 1.00 5.20 C ATOM 1120 CZ PHE A 69 -17.580 -7.837 -0.108 1.00 6.01 C ATOM 0 H PHE A 69 -15.167 -5.646 -4.042 1.00 2.52 H new ATOM 0 HA PHE A 69 -13.524 -5.901 -2.584 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -13.962 -8.898 -2.973 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -13.107 -8.161 -1.632 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -14.293 -7.182 0.214 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -16.421 -8.693 -3.149 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -16.382 -7.091 1.498 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -18.515 -8.592 -1.875 1.00 5.20 H new ATOM 0 HZ PHE A 69 -18.500 -7.797 0.456 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.867 -6.139 -4.819 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.631 -6.325 -5.580 1.00 0.92 C ATOM 1132 C PHE A 70 -10.047 -5.024 -6.098 1.00 0.79 C ATOM 1133 O PHE A 70 -10.746 -4.155 -6.602 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.827 -7.282 -6.734 1.00 1.37 C ATOM 1135 CG PHE A 70 -10.439 -8.675 -6.382 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -9.208 -8.963 -5.833 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -11.312 -9.706 -6.633 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.862 -10.259 -5.535 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -10.981 -10.994 -6.343 1.00 3.59 C ATOM 1140 CZ PHE A 70 -9.689 -11.237 -5.668 1.00 3.63 C ATOM 0 H PHE A 70 -12.363 -5.271 -5.022 1.00 1.22 H new ATOM 0 HA PHE A 70 -9.918 -6.750 -4.873 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.872 -7.265 -7.044 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -10.236 -6.947 -7.586 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -8.510 -8.163 -5.635 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -12.277 -9.491 -7.068 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.864 -10.464 -5.178 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -11.640 -11.811 -6.598 1.00 3.59 H new ATOM 0 HZ PHE A 70 -9.442 -12.219 -5.292 1.00 3.63 H new ATOM 1150 N THR A 71 -8.741 -4.960 -6.015 1.00 0.58 N ATOM 1151 CA THR A 71 -7.963 -3.777 -6.330 1.00 0.49 C ATOM 1152 C THR A 71 -6.488 -4.131 -6.242 1.00 0.40 C ATOM 1153 O THR A 71 -6.117 -5.014 -5.473 1.00 0.49 O ATOM 1154 CB THR A 71 -8.329 -2.627 -5.387 1.00 0.56 C ATOM 1155 OG1 THR A 71 -9.169 -1.707 -6.065 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.118 -1.892 -4.806 1.00 0.48 C ATOM 0 H THR A 71 -8.169 -5.750 -5.718 1.00 0.58 H new ATOM 0 HA THR A 71 -8.185 -3.439 -7.342 1.00 0.49 H new ATOM 0 HB THR A 71 -8.848 -3.075 -4.540 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.622 -1.113 -6.621 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.459 -1.092 -4.149 1.00 0.48 H new ATOM 0 HG22 THR A 71 -6.506 -2.592 -4.238 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.526 -1.468 -5.617 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.652 -3.481 -7.027 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.258 -3.868 -7.084 1.00 0.45 C ATOM 1166 C GLU A 72 -3.348 -2.641 -7.100 1.00 0.47 C ATOM 1167 O GLU A 72 -3.324 -1.880 -8.067 1.00 0.57 O ATOM 1168 CB GLU A 72 -4.041 -4.739 -8.322 1.00 0.63 C ATOM 1169 CG GLU A 72 -2.641 -5.306 -8.467 1.00 1.19 C ATOM 1170 CD GLU A 72 -2.521 -6.218 -9.671 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -2.398 -5.703 -10.804 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -2.528 -7.456 -9.491 1.00 1.80 O ATOM 0 H GLU A 72 -5.908 -2.695 -7.625 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.001 -4.440 -6.192 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -4.751 -5.566 -8.296 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.272 -4.149 -9.209 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.926 -4.488 -8.559 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -2.378 -5.859 -7.565 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.612 -2.451 -6.012 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.718 -1.311 -5.878 1.00 0.52 C ATOM 1181 C VAL A 73 -0.277 -1.779 -5.745 1.00 0.64 C ATOM 1182 O VAL A 73 0.036 -2.599 -4.883 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.036 -0.458 -4.634 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.671 0.996 -4.882 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.488 -0.594 -4.212 1.00 0.53 C ATOM 0 H VAL A 73 -2.618 -3.076 -5.206 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.860 -0.709 -6.776 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.429 -0.832 -3.810 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -1.901 1.585 -3.995 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.606 1.071 -5.101 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.243 1.376 -5.728 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.670 0.023 -3.332 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.135 -0.266 -5.025 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.702 -1.636 -3.975 1.00 0.53 H new ATOM 1195 N GLU A 74 0.605 -1.267 -6.581 1.00 0.80 N ATOM 1196 CA GLU A 74 2.013 -1.564 -6.440 1.00 0.96 C ATOM 1197 C GLU A 74 2.618 -0.699 -5.343 1.00 0.98 C ATOM 1198 O GLU A 74 2.963 0.457 -5.578 1.00 1.16 O ATOM 1199 CB GLU A 74 2.764 -1.328 -7.753 1.00 1.24 C ATOM 1200 CG GLU A 74 2.516 -2.377 -8.828 1.00 1.49 C ATOM 1201 CD GLU A 74 1.202 -2.179 -9.550 1.00 1.71 C ATOM 1202 OE1 GLU A 74 0.248 -2.936 -9.267 1.00 2.25 O ATOM 1203 OE2 GLU A 74 1.115 -1.273 -10.400 1.00 2.02 O ATOM 0 H GLU A 74 0.372 -0.649 -7.358 1.00 0.80 H new ATOM 0 HA GLU A 74 2.110 -2.617 -6.174 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.482 -0.351 -8.146 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.833 -1.290 -7.542 1.00 1.24 H new ATOM 0 HG2 GLU A 74 3.331 -2.348 -9.552 1.00 1.49 H new ATOM 0 HG3 GLU A 74 2.529 -3.367 -8.373 1.00 1.49 H new ATOM 1210 N ALA A 75 2.697 -1.264 -4.139 1.00 1.06 N ATOM 1211 CA ALA A 75 3.416 -0.643 -3.033 1.00 1.12 C ATOM 1212 C ALA A 75 4.795 -0.210 -3.502 1.00 1.43 C ATOM 1213 O ALA A 75 5.159 0.959 -3.418 1.00 1.80 O ATOM 1214 CB ALA A 75 3.551 -1.624 -1.881 1.00 1.02 C ATOM 0 H ALA A 75 2.267 -2.159 -3.906 1.00 1.06 H new ATOM 0 HA ALA A 75 2.858 0.229 -2.691 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.090 -1.150 -1.061 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.560 -1.923 -1.540 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.101 -2.504 -2.215 1.00 1.02 H new ATOM 1220 N TYR A 76 5.550 -1.163 -4.016 1.00 1.71 N ATOM 1221 CA TYR A 76 6.886 -0.891 -4.487 1.00 2.10 C ATOM 1222 C TYR A 76 7.291 -1.894 -5.553 1.00 2.93 C ATOM 1223 O TYR A 76 7.305 -3.101 -5.312 1.00 3.37 O ATOM 1224 CB TYR A 76 7.868 -0.958 -3.324 1.00 2.06 C ATOM 1225 CG TYR A 76 9.008 0.027 -3.445 1.00 2.42 C ATOM 1226 CD1 TYR A 76 9.712 0.165 -4.633 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.400 0.798 -2.362 1.00 2.63 C ATOM 1228 CE1 TYR A 76 10.767 1.042 -4.736 1.00 3.55 C ATOM 1229 CE2 TYR A 76 10.448 1.678 -2.458 1.00 3.23 C ATOM 1230 CZ TYR A 76 11.064 1.869 -3.687 1.00 3.62 C ATOM 1231 OH TYR A 76 12.184 2.666 -3.731 1.00 4.28 O ATOM 0 H TYR A 76 5.255 -2.134 -4.116 1.00 1.71 H new ATOM 0 HA TYR A 76 6.903 0.109 -4.921 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.332 -0.770 -2.394 1.00 2.06 H new ATOM 0 HB3 TYR A 76 8.275 -1.967 -3.259 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.427 -0.426 -5.491 1.00 3.02 H new ATOM 0 HD2 TYR A 76 8.871 0.704 -1.425 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.357 1.078 -5.640 1.00 3.55 H new ATOM 0 HE2 TYR A 76 10.790 2.216 -1.587 1.00 3.23 H new ATOM 0 HH TYR A 76 11.955 3.530 -4.134 1.00 4.28 H new ATOM 1383 N CYS A 85 15.784 3.857 2.257 1.00 2.66 N ATOM 1384 CA CYS A 85 15.976 4.290 3.629 1.00 3.24 C ATOM 1385 C CYS A 85 14.972 5.362 3.992 1.00 3.77 C ATOM 1386 O CYS A 85 14.052 5.162 4.778 1.00 4.31 O ATOM 1387 CB CYS A 85 17.418 4.792 3.829 1.00 3.79 C ATOM 1388 SG CYS A 85 18.498 4.581 2.370 1.00 4.64 S ATOM 0 HA CYS A 85 15.814 3.441 4.293 1.00 3.24 H new ATOM 0 HB2 CYS A 85 17.389 5.849 4.095 1.00 3.79 H new ATOM 0 HB3 CYS A 85 17.860 4.263 4.673 1.00 3.79 H new ATOM 0 HG CYS A 85 17.819 4.040 1.402 1.00 4.64 H new ATOM 1393 N GLY A 86 15.151 6.469 3.357 1.00 4.00 N ATOM 1394 CA GLY A 86 14.323 7.645 3.573 1.00 4.75 C ATOM 1395 C GLY A 86 13.046 7.654 2.748 1.00 4.42 C ATOM 1396 O GLY A 86 12.465 8.713 2.515 1.00 5.13 O ATOM 0 H GLY A 86 15.883 6.603 2.659 1.00 4.00 H new ATOM 0 HA2 GLY A 86 14.063 7.706 4.630 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.904 8.536 3.336 1.00 4.75 H new ATOM 1400 N LYS A 87 12.604 6.488 2.303 1.00 3.51 N ATOM 1401 CA LYS A 87 11.462 6.404 1.401 1.00 3.25 C ATOM 1402 C LYS A 87 10.218 5.895 2.118 1.00 2.57 C ATOM 1403 O LYS A 87 10.268 4.900 2.839 1.00 2.57 O ATOM 1404 CB LYS A 87 11.801 5.504 0.210 1.00 3.54 C ATOM 1405 CG LYS A 87 12.754 6.169 -0.777 1.00 4.49 C ATOM 1406 CD LYS A 87 13.020 5.310 -2.006 1.00 5.19 C ATOM 1407 CE LYS A 87 14.064 4.237 -1.736 1.00 6.18 C ATOM 1408 NZ LYS A 87 14.456 3.508 -2.976 1.00 6.95 N ATOM 0 H LYS A 87 13.016 5.588 2.550 1.00 3.51 H new ATOM 0 HA LYS A 87 11.243 7.409 1.039 1.00 3.25 H new ATOM 0 HB2 LYS A 87 12.249 4.579 0.574 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.881 5.231 -0.307 1.00 3.54 H new ATOM 0 HG2 LYS A 87 12.336 7.126 -1.091 1.00 4.49 H new ATOM 0 HG3 LYS A 87 13.698 6.382 -0.276 1.00 4.49 H new ATOM 0 HD2 LYS A 87 12.091 4.839 -2.327 1.00 5.19 H new ATOM 0 HD3 LYS A 87 13.356 5.945 -2.826 1.00 5.19 H new ATOM 0 HE2 LYS A 87 14.947 4.696 -1.292 1.00 6.18 H new ATOM 0 HE3 LYS A 87 13.673 3.527 -1.007 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 15.143 2.764 -2.739 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 13.613 3.076 -3.406 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 14.885 4.174 -3.649 1.00 6.95 H new ATOM 1422 N ARG A 88 9.108 6.602 1.919 1.00 2.48 N ATOM 1423 CA ARG A 88 7.839 6.265 2.555 1.00 2.17 C ATOM 1424 C ARG A 88 6.670 6.672 1.664 1.00 1.70 C ATOM 1425 O ARG A 88 6.578 7.818 1.223 1.00 2.18 O ATOM 1426 CB ARG A 88 7.723 6.962 3.913 1.00 3.14 C ATOM 1427 CG ARG A 88 6.350 6.835 4.559 1.00 3.80 C ATOM 1428 CD ARG A 88 6.316 7.510 5.921 1.00 4.78 C ATOM 1429 NE ARG A 88 7.169 6.820 6.883 1.00 5.43 N ATOM 1430 CZ ARG A 88 7.888 7.423 7.827 1.00 6.34 C ATOM 1431 NH1 ARG A 88 7.854 8.744 7.963 1.00 6.69 N ATOM 1432 NH2 ARG A 88 8.637 6.696 8.644 1.00 7.15 N ATOM 0 H ARG A 88 9.064 7.422 1.314 1.00 2.48 H new ATOM 0 HA ARG A 88 7.808 5.186 2.706 1.00 2.17 H new ATOM 0 HB2 ARG A 88 8.471 6.546 4.588 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.958 8.019 3.789 1.00 3.14 H new ATOM 0 HG2 ARG A 88 5.597 7.283 3.910 1.00 3.80 H new ATOM 0 HG3 ARG A 88 6.092 5.781 4.666 1.00 3.80 H new ATOM 0 HD2 ARG A 88 6.641 8.546 5.823 1.00 4.78 H new ATOM 0 HD3 ARG A 88 5.291 7.531 6.292 1.00 4.78 H new ATOM 0 HE ARG A 88 7.218 5.803 6.828 1.00 5.43 H new ATOM 0 HH11 ARG A 88 7.273 9.306 7.341 1.00 6.69 H new ATOM 0 HH12 ARG A 88 8.409 9.196 8.690 1.00 6.69 H new ATOM 0 HH21 ARG A 88 8.660 5.681 8.547 1.00 7.15 H new ATOM 0 HH22 ARG A 88 9.190 7.152 9.370 1.00 7.15 H new ATOM 1446 N TYR A 89 5.772 5.736 1.422 1.00 1.34 N ATOM 1447 CA TYR A 89 4.632 5.966 0.547 1.00 1.31 C ATOM 1448 C TYR A 89 3.363 5.427 1.182 1.00 1.05 C ATOM 1449 O TYR A 89 3.417 4.561 2.053 1.00 1.43 O ATOM 1450 CB TYR A 89 4.856 5.301 -0.807 1.00 2.13 C ATOM 1451 CG TYR A 89 5.238 3.851 -0.687 1.00 2.67 C ATOM 1452 CD1 TYR A 89 4.272 2.856 -0.735 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.562 3.479 -0.548 1.00 2.94 C ATOM 1454 CE1 TYR A 89 4.619 1.528 -0.644 1.00 4.21 C ATOM 1455 CE2 TYR A 89 6.917 2.155 -0.456 1.00 3.68 C ATOM 1456 CZ TYR A 89 5.936 1.187 -0.429 1.00 4.27 C ATOM 1457 OH TYR A 89 6.296 -0.139 -0.406 1.00 5.18 O ATOM 0 H TYR A 89 5.809 4.799 1.823 1.00 1.34 H new ATOM 0 HA TYR A 89 4.525 7.040 0.398 1.00 1.31 H new ATOM 0 HB2 TYR A 89 3.947 5.385 -1.403 1.00 2.13 H new ATOM 0 HB3 TYR A 89 5.640 5.835 -1.344 1.00 2.13 H new ATOM 0 HD1 TYR A 89 3.233 3.128 -0.845 1.00 3.40 H new ATOM 0 HD2 TYR A 89 7.328 4.240 -0.511 1.00 2.94 H new ATOM 0 HE1 TYR A 89 3.866 0.760 -0.740 1.00 4.21 H new ATOM 0 HE2 TYR A 89 7.959 1.874 -0.405 1.00 3.68 H new ATOM 0 HH TYR A 89 7.134 -0.242 0.091 1.00 5.18 H new ATOM 1467 N GLU A 90 2.233 5.936 0.733 1.00 0.79 N ATOM 1468 CA GLU A 90 0.947 5.595 1.308 1.00 0.71 C ATOM 1469 C GLU A 90 -0.070 5.316 0.216 1.00 0.53 C ATOM 1470 O GLU A 90 -0.201 6.092 -0.728 1.00 0.63 O ATOM 1471 CB GLU A 90 0.485 6.758 2.194 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.018 6.863 2.391 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.409 8.152 3.096 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -1.945 9.062 2.432 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.165 8.271 4.317 1.00 2.07 O ATOM 0 H GLU A 90 2.180 6.598 -0.041 1.00 0.79 H new ATOM 0 HA GLU A 90 1.041 4.691 1.909 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.958 6.659 3.171 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.844 7.690 1.759 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.515 6.814 1.422 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.368 6.010 2.973 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.766 4.195 0.323 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.897 3.949 -0.545 1.00 0.43 C ATOM 1484 C LEU A 91 -3.140 4.012 0.299 1.00 0.43 C ATOM 1485 O LEU A 91 -3.150 3.551 1.439 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.862 2.601 -1.294 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.481 2.037 -1.697 1.00 0.93 C ATOM 1488 CD1 LEU A 91 0.328 3.070 -2.461 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.302 1.527 -0.495 1.00 1.02 C ATOM 0 H LEU A 91 -0.568 3.453 0.994 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.871 4.712 -1.323 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.358 1.858 -0.670 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.459 2.706 -2.200 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.665 1.186 -2.353 1.00 0.93 H new ATOM 0 HD11 LEU A 91 1.295 2.647 -2.732 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.209 3.357 -3.365 1.00 1.82 H new ATOM 0 HD13 LEU A 91 0.480 3.949 -1.835 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.266 1.140 -0.826 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.461 2.344 0.209 1.00 1.02 H new ATOM 0 HD23 LEU A 91 -0.260 0.731 -0.006 1.00 1.02 H new ATOM 1501 N SER A 92 -4.178 4.598 -0.233 1.00 0.43 N ATOM 1502 CA SER A 92 -5.362 4.825 0.553 1.00 0.48 C ATOM 1503 C SER A 92 -6.609 4.552 -0.229 1.00 0.43 C ATOM 1504 O SER A 92 -6.751 4.980 -1.372 1.00 0.51 O ATOM 1505 CB SER A 92 -5.378 6.260 1.035 1.00 0.59 C ATOM 1506 OG SER A 92 -4.109 6.651 1.518 1.00 1.23 O ATOM 0 H SER A 92 -4.230 4.925 -1.198 1.00 0.43 H new ATOM 0 HA SER A 92 -5.338 4.139 1.400 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.678 6.917 0.219 1.00 0.59 H new ATOM 0 HB3 SER A 92 -6.121 6.373 1.824 1.00 0.59 H new ATOM 0 HG SER A 92 -4.147 7.582 1.821 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.512 3.845 0.404 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.817 3.653 -0.136 1.00 0.54 C ATOM 1514 C ALA A 93 -9.649 4.844 0.231 1.00 0.62 C ATOM 1515 O ALA A 93 -10.289 4.897 1.273 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.402 2.395 0.380 1.00 0.66 C ATOM 0 H ALA A 93 -7.355 3.392 1.304 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.778 3.564 -1.222 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.399 2.259 -0.039 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.770 1.555 0.093 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.469 2.444 1.467 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.594 5.804 -0.633 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.153 7.121 -0.363 1.00 1.26 C ATOM 1524 C ARG A 94 -11.218 7.473 -1.311 1.00 0.70 C ATOM 1525 O ARG A 94 -10.973 7.804 -2.465 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.095 8.210 -0.446 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.150 8.290 0.739 1.00 3.37 C ATOM 1528 CD ARG A 94 -6.987 9.235 0.468 1.00 4.38 C ATOM 1529 NE ARG A 94 -7.435 10.592 0.168 1.00 5.11 N ATOM 1530 CZ ARG A 94 -6.639 11.560 -0.279 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -5.343 11.336 -0.459 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -7.140 12.761 -0.536 1.00 6.80 N ATOM 0 H ARG A 94 -9.163 5.714 -1.553 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.558 7.062 0.647 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -8.506 8.053 -1.349 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -9.596 9.172 -0.556 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.697 8.629 1.619 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.766 7.296 0.966 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -6.328 9.256 1.336 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -6.400 8.855 -0.368 1.00 4.38 H new ATOM 0 HE ARG A 94 -8.421 10.812 0.310 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -4.951 10.417 -0.254 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -4.739 12.083 -0.802 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -8.133 12.941 -0.391 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -6.532 13.505 -0.879 1.00 6.80 H new ATOM 1546 N MET A 95 -12.376 7.438 -0.729 1.00 0.84 N ATOM 1547 CA MET A 95 -13.603 7.976 -1.263 1.00 1.41 C ATOM 1548 C MET A 95 -13.907 7.551 -2.709 1.00 1.48 C ATOM 1549 O MET A 95 -14.866 6.823 -2.952 1.00 2.12 O ATOM 1550 CB MET A 95 -13.562 9.496 -1.112 1.00 2.09 C ATOM 1551 CG MET A 95 -13.173 9.922 0.301 1.00 2.32 C ATOM 1552 SD MET A 95 -13.208 11.707 0.538 1.00 3.26 S ATOM 1553 CE MET A 95 -12.788 11.809 2.278 1.00 3.27 C ATOM 0 H MET A 95 -12.505 7.009 0.187 1.00 0.84 H new ATOM 0 HA MET A 95 -14.430 7.556 -0.690 1.00 1.41 H new ATOM 0 HB2 MET A 95 -12.850 9.912 -1.825 1.00 2.09 H new ATOM 0 HB3 MET A 95 -14.539 9.911 -1.359 1.00 2.09 H new ATOM 0 HG2 MET A 95 -13.851 9.454 1.014 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.172 9.552 0.523 1.00 2.32 H new ATOM 0 HE1 MET A 95 -12.767 12.854 2.587 1.00 3.27 H new ATOM 0 HE2 MET A 95 -13.534 11.272 2.864 1.00 3.27 H new ATOM 0 HE3 MET A 95 -11.807 11.362 2.442 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.097 7.995 -3.659 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.344 7.708 -5.070 1.00 1.45 C ATOM 1565 C ASP A 96 -12.267 6.804 -5.682 1.00 1.30 C ATOM 1566 O ASP A 96 -12.511 6.166 -6.706 1.00 1.97 O ATOM 1567 CB ASP A 96 -13.472 9.003 -5.881 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.232 9.874 -5.822 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -12.206 10.814 -4.996 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.290 9.637 -6.608 1.00 2.86 O ATOM 0 H ASP A 96 -12.263 8.555 -3.482 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.289 7.167 -5.115 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -13.682 8.753 -6.921 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -14.325 9.572 -5.511 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.088 6.727 -5.067 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.019 5.882 -5.603 1.00 0.62 C ATOM 1577 C ALA A 97 -9.030 5.442 -4.537 1.00 0.60 C ATOM 1578 O ALA A 97 -9.125 5.809 -3.370 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.246 6.596 -6.706 1.00 0.55 C ATOM 0 H ALA A 97 -10.850 7.229 -4.212 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.518 5.000 -6.005 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.460 5.941 -7.082 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -9.925 6.852 -7.519 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.799 7.507 -6.306 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.088 4.635 -4.982 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.947 4.237 -4.194 1.00 0.34 C ATOM 1587 C ILE A 98 -5.774 5.126 -4.562 1.00 0.32 C ATOM 1588 O ILE A 98 -5.287 5.102 -5.695 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.601 2.759 -4.437 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.667 1.889 -3.778 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.201 2.421 -3.867 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.410 1.653 -2.330 1.00 0.50 C ATOM 0 H ILE A 98 -8.098 4.232 -5.919 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.179 4.348 -3.135 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.579 2.565 -5.509 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.641 2.365 -3.896 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.716 0.930 -4.294 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.978 1.370 -4.050 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.450 3.042 -4.355 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.189 2.613 -2.794 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.202 1.028 -1.917 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.450 1.151 -2.208 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.389 2.607 -1.804 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.355 5.927 -3.612 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.332 6.932 -3.857 1.00 0.53 C ATOM 1606 C TYR A 99 -2.940 6.365 -3.651 1.00 0.63 C ATOM 1607 O TYR A 99 -2.704 5.617 -2.710 1.00 0.86 O ATOM 1608 CB TYR A 99 -4.537 8.139 -2.941 1.00 0.79 C ATOM 1609 CG TYR A 99 -5.644 9.071 -3.383 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -6.978 8.687 -3.320 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -5.351 10.344 -3.856 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -7.986 9.544 -3.720 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -6.352 11.206 -4.256 1.00 2.26 C ATOM 1614 CZ TYR A 99 -7.667 10.803 -4.186 1.00 2.77 C ATOM 1615 OH TYR A 99 -8.665 11.661 -4.588 1.00 3.67 O ATOM 0 H TYR A 99 -5.705 5.907 -2.654 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.424 7.248 -4.896 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -4.756 7.784 -1.934 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -3.605 8.701 -2.885 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.231 7.703 -2.953 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -4.321 10.665 -3.912 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.018 9.230 -3.668 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -6.105 12.192 -4.622 1.00 2.26 H new ATOM 0 HH TYR A 99 -8.269 12.506 -4.887 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.036 6.715 -4.550 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.627 6.407 -4.388 1.00 0.91 C ATOM 1627 C PHE A 100 0.094 7.684 -3.975 1.00 1.25 C ATOM 1628 O PHE A 100 0.179 8.628 -4.758 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.033 5.863 -5.695 1.00 1.20 C ATOM 1630 CG PHE A 100 1.428 5.500 -5.604 1.00 1.73 C ATOM 1631 CD1 PHE A 100 2.414 6.453 -5.828 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.818 4.206 -5.296 1.00 2.19 C ATOM 1633 CE1 PHE A 100 3.752 6.120 -5.745 1.00 2.83 C ATOM 1634 CE2 PHE A 100 3.156 3.869 -5.211 1.00 2.91 C ATOM 1635 CZ PHE A 100 4.124 4.828 -5.436 1.00 3.12 C ATOM 0 H PHE A 100 -2.258 7.219 -5.409 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.505 5.639 -3.624 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -0.597 4.981 -5.998 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.163 6.609 -6.479 1.00 1.20 H new ATOM 0 HD1 PHE A 100 2.131 7.467 -6.070 1.00 2.22 H new ATOM 0 HD2 PHE A 100 1.066 3.451 -5.120 1.00 2.19 H new ATOM 0 HE1 PHE A 100 4.507 6.871 -5.922 1.00 2.83 H new ATOM 0 HE2 PHE A 100 3.444 2.857 -4.969 1.00 2.91 H new ATOM 0 HZ PHE A 100 5.170 4.567 -5.370 1.00 3.12 H new ATOM 1645 N LYS A 101 0.583 7.726 -2.749 1.00 1.07 N ATOM 1646 CA LYS A 101 1.169 8.942 -2.205 1.00 1.43 C ATOM 1647 C LYS A 101 2.693 8.930 -2.260 1.00 1.37 C ATOM 1648 O LYS A 101 3.329 7.878 -2.199 1.00 1.55 O ATOM 1649 CB LYS A 101 0.610 9.202 -0.812 1.00 2.06 C ATOM 1650 CG LYS A 101 1.321 10.285 -0.016 1.00 2.92 C ATOM 1651 CD LYS A 101 0.575 10.600 1.268 1.00 3.76 C ATOM 1652 CE LYS A 101 1.304 11.633 2.108 1.00 4.58 C ATOM 1653 NZ LYS A 101 2.593 11.118 2.642 1.00 5.15 N ATOM 0 H LYS A 101 0.587 6.932 -2.109 1.00 1.07 H new ATOM 0 HA LYS A 101 0.882 9.783 -2.836 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -0.441 9.475 -0.906 1.00 2.06 H new ATOM 0 HB3 LYS A 101 0.649 8.273 -0.244 1.00 2.06 H new ATOM 0 HG2 LYS A 101 2.335 9.961 0.219 1.00 2.92 H new ATOM 0 HG3 LYS A 101 1.407 11.188 -0.621 1.00 2.92 H new ATOM 0 HD2 LYS A 101 -0.423 10.967 1.027 1.00 3.76 H new ATOM 0 HD3 LYS A 101 0.447 9.686 1.847 1.00 3.76 H new ATOM 0 HE2 LYS A 101 1.492 12.521 1.505 1.00 4.58 H new ATOM 0 HE3 LYS A 101 0.666 11.940 2.937 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 2.963 11.780 3.353 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 2.440 10.188 3.081 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 3.278 11.026 1.865 1.00 5.15 H new ATOM 1667 N MET A 102 3.236 10.144 -2.332 1.00 1.76 N ATOM 1668 CA MET A 102 4.533 10.438 -2.933 1.00 2.21 C ATOM 1669 C MET A 102 5.719 9.627 -2.429 1.00 2.42 C ATOM 1670 O MET A 102 6.353 9.969 -1.426 1.00 2.62 O ATOM 1671 CB MET A 102 4.850 11.926 -2.776 1.00 2.82 C ATOM 1672 CG MET A 102 6.095 12.370 -3.527 1.00 3.61 C ATOM 1673 SD MET A 102 6.251 14.166 -3.609 1.00 4.57 S ATOM 1674 CE MET A 102 6.324 14.580 -1.870 1.00 5.14 C ATOM 0 H MET A 102 2.771 10.973 -1.963 1.00 1.76 H new ATOM 0 HA MET A 102 4.413 10.144 -3.976 1.00 2.21 H new ATOM 0 HB2 MET A 102 3.998 12.509 -3.127 1.00 2.82 H new ATOM 0 HB3 MET A 102 4.976 12.151 -1.717 1.00 2.82 H new ATOM 0 HG2 MET A 102 6.977 11.954 -3.040 1.00 3.61 H new ATOM 0 HG3 MET A 102 6.069 11.965 -4.538 1.00 3.61 H new ATOM 0 HE1 MET A 102 6.632 15.619 -1.756 1.00 5.14 H new ATOM 0 HE2 MET A 102 5.340 14.442 -1.422 1.00 5.14 H new ATOM 0 HE3 MET A 102 7.044 13.931 -1.371 1.00 5.14 H new ATOM 1684 N ASP A 103 5.988 8.541 -3.128 1.00 2.92 N ATOM 1685 CA ASP A 103 7.349 8.080 -3.307 1.00 3.46 C ATOM 1686 C ASP A 103 7.600 8.025 -4.783 1.00 3.62 C ATOM 1687 O ASP A 103 6.720 7.631 -5.546 1.00 3.77 O ATOM 1688 CB ASP A 103 7.646 6.722 -2.740 1.00 4.39 C ATOM 1689 CG ASP A 103 9.131 6.486 -2.564 1.00 5.03 C ATOM 1690 OD1 ASP A 103 9.663 5.542 -3.184 1.00 5.64 O ATOM 1691 OD2 ASP A 103 9.767 7.237 -1.798 1.00 5.25 O ATOM 0 H ASP A 103 5.281 7.962 -3.581 1.00 2.92 H new ATOM 0 HA ASP A 103 7.991 8.776 -2.766 1.00 3.46 H new ATOM 0 HB2 ASP A 103 7.147 6.615 -1.777 1.00 4.39 H new ATOM 0 HB3 ASP A 103 7.234 5.957 -3.399 1.00 4.39 H new ATOM 1696 N GLU A 104 8.827 8.305 -5.127 1.00 4.02 N ATOM 1697 CA GLU A 104 9.280 8.686 -6.482 1.00 4.43 C ATOM 1698 C GLU A 104 8.360 9.707 -7.206 1.00 4.28 C ATOM 1699 O GLU A 104 8.850 10.593 -7.906 1.00 4.73 O ATOM 1700 CB GLU A 104 9.537 7.456 -7.361 1.00 4.95 C ATOM 1701 CG GLU A 104 8.296 6.813 -7.942 1.00 5.34 C ATOM 1702 CD GLU A 104 8.623 5.755 -8.975 1.00 6.03 C ATOM 1703 OE1 GLU A 104 8.610 6.073 -10.184 1.00 6.26 O ATOM 1704 OE2 GLU A 104 8.906 4.602 -8.588 1.00 6.61 O ATOM 0 H GLU A 104 9.593 8.279 -4.454 1.00 4.02 H new ATOM 0 HA GLU A 104 10.225 9.206 -6.323 1.00 4.43 H new ATOM 0 HB2 GLU A 104 10.195 7.745 -8.180 1.00 4.95 H new ATOM 0 HB3 GLU A 104 10.071 6.711 -6.770 1.00 4.95 H new ATOM 0 HG2 GLU A 104 7.713 6.364 -7.138 1.00 5.34 H new ATOM 0 HG3 GLU A 104 7.672 7.581 -8.398 1.00 5.34 H new ATOM 1711 N ARG A 105 7.051 9.590 -7.030 1.00 3.93 N ATOM 1712 CA ARG A 105 6.074 10.433 -7.711 1.00 3.96 C ATOM 1713 C ARG A 105 4.978 10.874 -6.728 1.00 3.41 C ATOM 1714 O ARG A 105 4.677 10.160 -5.776 1.00 3.35 O ATOM 1715 CB ARG A 105 5.471 9.651 -8.882 1.00 4.49 C ATOM 1716 CG ARG A 105 4.648 8.442 -8.460 1.00 4.98 C ATOM 1717 CD ARG A 105 4.286 7.571 -9.652 1.00 5.81 C ATOM 1718 NE ARG A 105 5.469 6.950 -10.252 1.00 6.29 N ATOM 1719 CZ ARG A 105 5.464 6.299 -11.415 1.00 7.10 C ATOM 1720 NH1 ARG A 105 4.350 6.199 -12.123 1.00 7.50 N ATOM 1721 NH2 ARG A 105 6.582 5.751 -11.864 1.00 7.74 N ATOM 0 H ARG A 105 6.632 8.901 -6.405 1.00 3.93 H new ATOM 0 HA ARG A 105 6.563 11.329 -8.093 1.00 3.96 H new ATOM 0 HB2 ARG A 105 4.840 10.321 -9.467 1.00 4.49 H new ATOM 0 HB3 ARG A 105 6.276 9.319 -9.537 1.00 4.49 H new ATOM 0 HG2 ARG A 105 5.210 7.853 -7.735 1.00 4.98 H new ATOM 0 HG3 ARG A 105 3.738 8.776 -7.962 1.00 4.98 H new ATOM 0 HD2 ARG A 105 3.589 6.795 -9.336 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.773 8.175 -10.401 1.00 5.81 H new ATOM 0 HE ARG A 105 6.353 7.020 -9.748 1.00 6.29 H new ATOM 0 HH11 ARG A 105 3.488 6.622 -11.779 1.00 7.50 H new ATOM 0 HH12 ARG A 105 4.354 5.699 -13.012 1.00 7.50 H new ATOM 0 HH21 ARG A 105 7.442 5.828 -11.321 1.00 7.74 H new ATOM 0 HH22 ARG A 105 6.584 5.252 -12.753 1.00 7.74 H new ATOM 1735 N PRO A 106 4.380 12.065 -6.951 1.00 3.33 N ATOM 1736 CA PRO A 106 3.401 12.679 -6.022 1.00 3.10 C ATOM 1737 C PRO A 106 2.078 11.901 -5.879 1.00 2.43 C ATOM 1738 O PRO A 106 1.743 11.065 -6.722 1.00 2.29 O ATOM 1739 CB PRO A 106 3.139 14.053 -6.653 1.00 3.53 C ATOM 1740 CG PRO A 106 3.484 13.891 -8.089 1.00 4.00 C ATOM 1741 CD PRO A 106 4.625 12.920 -8.127 1.00 3.83 C ATOM 0 HA PRO A 106 3.797 12.704 -5.007 1.00 3.10 H new ATOM 0 HB2 PRO A 106 2.098 14.352 -6.529 1.00 3.53 H new ATOM 0 HB3 PRO A 106 3.750 14.825 -6.185 1.00 3.53 H new ATOM 0 HG2 PRO A 106 2.632 13.516 -8.656 1.00 4.00 H new ATOM 0 HG3 PRO A 106 3.767 14.845 -8.533 1.00 4.00 H new ATOM 0 HD2 PRO A 106 4.631 12.342 -9.051 1.00 3.83 H new ATOM 0 HD3 PRO A 106 5.588 13.427 -8.062 1.00 3.83 H new ATOM 1749 N PRO A 107 1.307 12.200 -4.796 1.00 2.31 N ATOM 1750 CA PRO A 107 0.009 11.557 -4.495 1.00 1.85 C ATOM 1751 C PRO A 107 -0.991 11.680 -5.643 1.00 1.51 C ATOM 1752 O PRO A 107 -1.279 12.785 -6.111 1.00 1.80 O ATOM 1753 CB PRO A 107 -0.508 12.337 -3.276 1.00 2.23 C ATOM 1754 CG PRO A 107 0.290 13.593 -3.252 1.00 2.91 C ATOM 1755 CD PRO A 107 1.636 13.210 -3.778 1.00 2.93 C ATOM 0 HA PRO A 107 0.128 10.487 -4.326 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -1.573 12.549 -3.366 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -0.373 11.767 -2.357 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -0.170 14.364 -3.870 1.00 2.91 H new ATOM 0 HG3 PRO A 107 0.362 13.995 -2.241 1.00 2.91 H new ATOM 0 HD2 PRO A 107 2.161 14.063 -4.208 1.00 2.93 H new ATOM 0 HD3 PRO A 107 2.276 12.803 -2.995 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.517 10.550 -6.094 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.527 10.543 -7.146 1.00 0.94 C ATOM 1765 C GLN A 108 -3.403 9.296 -7.044 1.00 0.70 C ATOM 1766 O GLN A 108 -2.953 8.254 -6.568 1.00 0.64 O ATOM 1767 CB GLN A 108 -1.870 10.587 -8.530 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.006 9.373 -8.835 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.476 9.364 -10.256 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -1.241 9.915 -11.185 1.00 2.57 O flip ATOM 1771 NE2 GLN A 108 0.613 8.855 -10.517 1.00 2.71 N flip ATOM 0 H GLN A 108 -1.262 9.625 -5.748 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.147 11.430 -7.016 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -2.648 10.668 -9.289 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -1.257 11.486 -8.603 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.167 9.348 -8.140 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.588 8.468 -8.665 1.00 1.72 H new ATOM 0 HE21 GLN A 108 1.174 8.440 -9.773 1.00 2.71 H new ATOM 0 HE22 GLN A 108 0.955 8.848 -11.478 1.00 2.71 H new ATOM 1780 N PRO A 109 -4.677 9.402 -7.457 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.569 8.243 -7.591 1.00 0.55 C ATOM 1782 C PRO A 109 -5.019 7.235 -8.597 1.00 0.56 C ATOM 1783 O PRO A 109 -5.186 7.398 -9.805 1.00 0.80 O ATOM 1784 CB PRO A 109 -6.874 8.851 -8.115 1.00 0.65 C ATOM 1785 CG PRO A 109 -6.810 10.287 -7.740 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.359 10.661 -7.802 1.00 0.91 C ATOM 0 HA PRO A 109 -5.688 7.701 -6.653 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -6.960 8.729 -9.195 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.742 8.365 -7.669 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.401 10.896 -8.424 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.213 10.448 -6.740 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.076 11.015 -8.793 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.117 11.457 -7.098 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.363 6.197 -8.100 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.673 5.256 -8.970 1.00 0.61 C ATOM 1796 C LEU A 110 -4.510 4.011 -9.217 1.00 0.51 C ATOM 1797 O LEU A 110 -4.212 3.214 -10.110 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.318 4.868 -8.370 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.433 3.995 -9.265 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -1.033 4.749 -10.524 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.201 3.525 -8.506 1.00 1.61 C ATOM 0 H LEU A 110 -4.294 5.985 -7.105 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.511 5.749 -9.928 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -1.773 5.780 -8.126 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.492 4.340 -7.433 1.00 0.83 H new ATOM 0 HG LEU A 110 -2.007 3.117 -9.561 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.405 4.111 -11.146 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -1.928 5.030 -11.080 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -0.479 5.647 -10.250 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.415 2.906 -9.159 1.00 1.61 H new ATOM 0 HD22 LEU A 110 0.375 4.390 -8.176 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.509 2.942 -7.638 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.567 3.857 -8.449 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.419 2.692 -8.556 1.00 0.48 C ATOM 1815 C ASN A 111 -7.712 3.081 -7.901 1.00 0.42 C ATOM 1816 O ASN A 111 -7.873 4.247 -7.580 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.770 1.472 -7.873 1.00 0.60 C ATOM 1818 CG ASN A 111 -6.463 0.165 -8.217 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -7.388 -0.264 -7.531 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -6.017 -0.480 -9.279 1.00 1.75 N ATOM 0 H ASN A 111 -5.858 4.529 -7.739 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.580 2.396 -9.592 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.723 1.411 -8.168 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.789 1.614 -6.792 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -6.443 -1.365 -9.554 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -5.247 -0.093 -9.825 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.640 2.176 -7.727 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.830 2.508 -7.011 1.00 0.60 C ATOM 1829 C LYS A 112 -10.330 1.360 -6.172 1.00 0.72 C ATOM 1830 O LYS A 112 -10.596 0.274 -6.673 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.895 2.965 -7.975 1.00 0.72 C ATOM 1832 CG LYS A 112 -11.089 2.045 -9.174 1.00 1.33 C ATOM 1833 CD LYS A 112 -12.307 2.432 -9.996 1.00 1.68 C ATOM 1834 CE LYS A 112 -13.604 2.075 -9.284 1.00 2.31 C ATOM 1835 NZ LYS A 112 -13.783 0.604 -9.149 1.00 2.93 N ATOM 0 H LYS A 112 -8.591 1.216 -8.069 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.589 3.320 -6.325 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.841 3.050 -7.440 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.641 3.962 -8.334 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -10.200 2.078 -9.804 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.196 1.017 -8.829 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.285 3.503 -10.197 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -12.270 1.926 -10.961 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -13.612 2.533 -8.295 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -14.446 2.493 -9.835 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -14.778 0.394 -8.931 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -13.519 0.139 -10.041 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -13.178 0.250 -8.381 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.490 1.678 -4.901 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.897 0.745 -3.848 1.00 0.97 C ATOM 1851 C TRP A 113 -12.061 -0.139 -4.266 1.00 1.02 C ATOM 1852 O TRP A 113 -12.882 0.247 -5.101 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.322 1.555 -2.620 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.404 2.546 -2.950 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -12.234 3.858 -3.282 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.818 2.298 -3.019 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -13.446 4.435 -3.560 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -14.432 3.502 -3.405 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.624 1.176 -2.794 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.811 3.615 -3.575 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.990 1.290 -2.960 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.572 2.503 -3.349 1.00 2.20 C ATOM 0 H TRP A 113 -10.337 2.625 -4.553 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.047 0.096 -3.635 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.675 0.878 -1.842 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.458 2.082 -2.216 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -11.283 4.368 -3.320 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -13.589 5.406 -3.838 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.184 0.236 -2.495 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -16.262 4.549 -3.875 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.620 0.430 -2.787 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.643 2.561 -3.473 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.140 -1.319 -3.670 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.287 -2.176 -3.852 1.00 1.50 C ATOM 1875 C ARG A 114 -13.625 -2.936 -2.598 1.00 1.82 C ATOM 1876 O ARG A 114 -12.853 -2.960 -1.643 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.051 -3.190 -4.943 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.252 -2.656 -6.355 1.00 2.76 C ATOM 1879 CD ARG A 114 -14.583 -1.926 -6.500 1.00 3.56 C ATOM 1880 NE ARG A 114 -15.686 -2.619 -5.825 1.00 4.38 N ATOM 1881 CZ ARG A 114 -16.795 -2.003 -5.403 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -16.998 -0.725 -5.695 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -17.702 -2.667 -4.694 1.00 6.29 N ATOM 0 H ARG A 114 -11.419 -1.700 -3.057 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.111 -1.514 -4.120 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -12.034 -3.571 -4.854 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -13.723 -4.034 -4.788 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -12.436 -1.978 -6.607 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -13.211 -3.482 -7.065 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -14.487 -0.920 -6.091 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -14.820 -1.819 -7.558 1.00 3.56 H new ATOM 0 HE ARG A 114 -15.602 -3.624 -5.669 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -16.308 -0.211 -6.242 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -17.845 -0.256 -5.372 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -17.554 -3.651 -4.470 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -18.547 -2.193 -4.374 1.00 6.29 H new ATOM 1897 N SER A 115 -14.780 -3.580 -2.691 1.00 2.02 N ATOM 1898 CA SER A 115 -15.374 -4.446 -1.677 1.00 2.76 C ATOM 1899 C SER A 115 -16.863 -4.547 -1.963 1.00 3.19 C ATOM 1900 O SER A 115 -17.678 -4.257 -1.065 1.00 3.60 O ATOM 1901 CB SER A 115 -15.133 -3.958 -0.256 1.00 3.33 C ATOM 1902 OG SER A 115 -13.841 -4.323 0.210 1.00 4.01 O ATOM 1903 OXT SER A 115 -17.205 -4.861 -3.128 1.00 3.62 O ATOM 0 H SER A 115 -15.363 -3.509 -3.525 1.00 2.02 H new ATOM 0 HA SER A 115 -14.896 -5.424 -1.736 1.00 2.76 H new ATOM 0 HB2 SER A 115 -15.241 -2.874 -0.220 1.00 3.33 H new ATOM 0 HB3 SER A 115 -15.891 -4.376 0.406 1.00 3.33 H new ATOM 0 HG SER A 115 -13.160 -3.950 -0.388 1.00 4.01 H new