USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 958 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 80 THR OG1 : rot 180:sc= 0.997 USER MOD Set 1.2: A 83 SER OG : rot 84:sc= 1.26 USER MOD Set 2.1: A 71 THR OG1 : rot -170:sc= -0.448 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 63 SER OG : rot -59:sc= 0.689 USER MOD Set 3.2: A 101 ASN : amide:sc= 0.767 K(o=1.5,f=0.21) USER MOD Set 4.1: A 49 SER OG : rot 180:sc= 1.15 USER MOD Set 4.2: A 89 ASN : amide:sc= -0.188 X(o=0.96,f=1.1) USER MOD Set 5.1: A 21 ASN : amide:sc= 1.87 K(o=3.1,f=-1.7!) USER MOD Set 5.2: A 23 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 3 MET CE :methyl -169:sc= 0 (180deg=-0.086) USER MOD Single : A 5 MET CE :methyl 151:sc= -0.866 (180deg=-3.46!) USER MOD Single : A 7 MET CE :methyl -157:sc= -2.4 (180deg=-3.88!) USER MOD Single : A 10 TYR OH : rot 176:sc= 0.357 USER MOD Single : A 15 SER OG : rot 180:sc= -0.104 USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 0.889 (180deg=0.773) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0.535 (180deg=0.498) USER MOD Single : A 22 ASN : amide:sc= -0.0352 X(o=-0.035,f=-0.41) USER MOD Single : A 24 THR OG1 : rot -94:sc= 1.02 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.269 F(o=-1.8!,f=-0.27) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0535 X(o=-0.054,f=-0.016) USER MOD Single : A 44 TYR OH : rot -11:sc= 0.0233 USER MOD Single : A 45 THR OG1 : rot 36:sc= 0.241 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 52 SER OG : rot 180:sc= -0.574 USER MOD Single : A 57 TYR OH : rot 171:sc= -0.42 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -34:sc= 0.33 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.042) USER MOD Single : A 87 SER OG : rot 78:sc= 1.1 USER MOD Single : A 90 TYR OH : rot -124:sc= 0.9 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0.635 (180deg=0.459) USER MOD Single : A 96 GLN : amide:sc= -3.52! C(o=-3.5!,f=-8.7!) USER MOD Single : A 98 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 99 CYS SG : rot 98:sc= -0.269 USER MOD Single : A 104 SER OG : rot 180:sc= 0.281 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 116 CYS SG : rot 55:sc= -0.406 USER MOD Single : A 117 SER OG : rot 150:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 8.629 -14.790 6.465 1.00 1.02 N ATOM 21 CA MET A 3 9.189 -13.578 7.041 1.00 0.92 C ATOM 22 C MET A 3 8.798 -12.369 6.200 1.00 0.65 C ATOM 23 O MET A 3 9.426 -12.063 5.184 1.00 0.82 O ATOM 24 CB MET A 3 10.712 -13.683 7.159 1.00 1.21 C ATOM 25 CG MET A 3 11.384 -12.393 7.615 1.00 1.47 C ATOM 26 SD MET A 3 10.803 -11.824 9.226 1.00 1.88 S ATOM 27 CE MET A 3 11.693 -10.275 9.373 1.00 2.83 C ATOM 0 HA MET A 3 8.782 -13.453 8.045 1.00 0.92 H new ATOM 0 HB2 MET A 3 10.959 -14.478 7.862 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.123 -13.974 6.192 1.00 1.21 H new ATOM 0 HG2 MET A 3 12.462 -12.547 7.658 1.00 1.47 H new ATOM 0 HG3 MET A 3 11.203 -11.614 6.874 1.00 1.47 H new ATOM 0 HE1 MET A 3 11.597 -9.896 10.390 1.00 2.83 H new ATOM 0 HE2 MET A 3 12.746 -10.437 9.144 1.00 2.83 H new ATOM 0 HE3 MET A 3 11.277 -9.549 8.674 1.00 2.83 H new ATOM 37 N ALA A 4 7.749 -11.693 6.627 1.00 0.46 N ATOM 38 CA ALA A 4 7.246 -10.539 5.910 1.00 0.37 C ATOM 39 C ALA A 4 7.917 -9.270 6.407 1.00 0.34 C ATOM 40 O ALA A 4 7.787 -8.899 7.579 1.00 0.43 O ATOM 41 CB ALA A 4 5.737 -10.446 6.062 1.00 0.57 C ATOM 0 H ALA A 4 7.227 -11.925 7.472 1.00 0.46 H new ATOM 0 HA ALA A 4 7.480 -10.654 4.852 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.370 -9.575 5.519 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.274 -11.347 5.659 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.483 -10.349 7.118 1.00 0.57 H new ATOM 47 N MET A 5 8.655 -8.621 5.522 1.00 0.30 N ATOM 48 CA MET A 5 9.311 -7.366 5.844 1.00 0.33 C ATOM 49 C MET A 5 8.439 -6.206 5.401 1.00 0.34 C ATOM 50 O MET A 5 8.129 -6.082 4.215 1.00 0.34 O ATOM 51 CB MET A 5 10.673 -7.268 5.155 1.00 0.35 C ATOM 52 CG MET A 5 11.658 -8.338 5.589 1.00 0.63 C ATOM 53 SD MET A 5 13.338 -8.011 5.018 1.00 1.25 S ATOM 54 CE MET A 5 13.677 -6.459 5.846 1.00 0.90 C ATOM 0 H MET A 5 8.815 -8.946 4.568 1.00 0.30 H new ATOM 0 HA MET A 5 9.463 -7.326 6.923 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.530 -7.335 4.077 1.00 0.35 H new ATOM 0 HB3 MET A 5 11.103 -6.287 5.359 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.656 -8.408 6.677 1.00 0.63 H new ATOM 0 HG3 MET A 5 11.330 -9.305 5.206 1.00 0.63 H new ATOM 0 HE1 MET A 5 14.747 -6.375 6.037 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.355 -5.631 5.214 1.00 0.90 H new ATOM 0 HE3 MET A 5 13.136 -6.425 6.791 1.00 0.90 H new ATOM 64 N PRO A 6 7.999 -5.361 6.346 1.00 0.41 N ATOM 65 CA PRO A 6 7.196 -4.181 6.030 1.00 0.46 C ATOM 66 C PRO A 6 7.858 -3.359 4.936 1.00 0.39 C ATOM 67 O PRO A 6 9.050 -3.073 5.004 1.00 0.38 O ATOM 68 CB PRO A 6 7.168 -3.407 7.350 1.00 0.58 C ATOM 69 CG PRO A 6 7.356 -4.447 8.398 1.00 0.61 C ATOM 70 CD PRO A 6 8.258 -5.488 7.791 1.00 0.49 C ATOM 0 HA PRO A 6 6.201 -4.427 5.660 1.00 0.46 H new ATOM 0 HB2 PRO A 6 7.959 -2.658 7.388 1.00 0.58 H new ATOM 0 HB3 PRO A 6 6.223 -2.879 7.480 1.00 0.58 H new ATOM 0 HG2 PRO A 6 7.802 -4.020 9.296 1.00 0.61 H new ATOM 0 HG3 PRO A 6 6.401 -4.882 8.692 1.00 0.61 H new ATOM 0 HD2 PRO A 6 9.305 -5.301 8.030 1.00 0.49 H new ATOM 0 HD3 PRO A 6 8.021 -6.487 8.156 1.00 0.49 H new ATOM 78 N MET A 7 7.076 -3.000 3.924 1.00 0.37 N ATOM 79 CA MET A 7 7.593 -2.318 2.741 1.00 0.32 C ATOM 80 C MET A 7 8.276 -1.009 3.110 1.00 0.29 C ATOM 81 O MET A 7 9.215 -0.578 2.448 1.00 0.28 O ATOM 82 CB MET A 7 6.462 -2.065 1.754 1.00 0.40 C ATOM 83 CG MET A 7 6.738 -2.629 0.377 1.00 0.37 C ATOM 84 SD MET A 7 8.217 -1.905 -0.359 1.00 1.39 S ATOM 85 CE MET A 7 8.081 -2.481 -2.043 1.00 0.77 C ATOM 0 H MET A 7 6.071 -3.172 3.899 1.00 0.37 H new ATOM 0 HA MET A 7 8.339 -2.962 2.276 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.544 -2.505 2.143 1.00 0.40 H new ATOM 0 HB3 MET A 7 6.292 -0.991 1.673 1.00 0.40 H new ATOM 0 HG2 MET A 7 6.858 -3.710 0.444 1.00 0.37 H new ATOM 0 HG3 MET A 7 5.881 -2.443 -0.271 1.00 0.37 H new ATOM 0 HE1 MET A 7 9.067 -2.481 -2.508 1.00 0.77 H new ATOM 0 HE2 MET A 7 7.677 -3.493 -2.050 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.416 -1.821 -2.601 1.00 0.77 H new ATOM 95 N ILE A 8 7.803 -0.390 4.173 1.00 0.30 N ATOM 96 CA ILE A 8 8.416 0.826 4.672 1.00 0.27 C ATOM 97 C ILE A 8 9.794 0.518 5.252 1.00 0.30 C ATOM 98 O ILE A 8 10.768 1.206 4.955 1.00 0.34 O ATOM 99 CB ILE A 8 7.520 1.495 5.737 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.140 1.790 5.143 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.153 2.771 6.263 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.180 2.680 3.915 1.00 0.36 C ATOM 0 H ILE A 8 6.996 -0.709 4.709 1.00 0.30 H new ATOM 0 HA ILE A 8 8.531 1.522 3.841 1.00 0.27 H new ATOM 0 HB ILE A 8 7.410 0.807 6.575 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.658 0.848 4.882 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.521 2.265 5.904 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.499 3.220 7.011 1.00 0.38 H new ATOM 0 HG22 ILE A 8 9.117 2.539 6.716 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.297 3.471 5.440 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.166 2.844 3.551 1.00 0.36 H new ATOM 0 HD12 ILE A 8 6.632 3.637 4.174 1.00 0.36 H new ATOM 0 HD13 ILE A 8 6.771 2.199 3.136 1.00 0.36 H new ATOM 114 N GLU A 9 9.868 -0.556 6.034 1.00 0.32 N ATOM 115 CA GLU A 9 11.121 -0.983 6.655 1.00 0.39 C ATOM 116 C GLU A 9 12.101 -1.477 5.592 1.00 0.34 C ATOM 117 O GLU A 9 13.320 -1.387 5.761 1.00 0.37 O ATOM 118 CB GLU A 9 10.843 -2.080 7.689 1.00 0.53 C ATOM 119 CG GLU A 9 12.066 -2.518 8.479 1.00 0.66 C ATOM 120 CD GLU A 9 11.725 -3.509 9.572 1.00 0.87 C ATOM 121 OE1 GLU A 9 11.730 -4.729 9.306 1.00 1.67 O ATOM 122 OE2 GLU A 9 11.445 -3.070 10.709 1.00 1.20 O ATOM 0 H GLU A 9 9.069 -1.151 6.254 1.00 0.32 H new ATOM 0 HA GLU A 9 11.573 -0.132 7.163 1.00 0.39 H new ATOM 0 HB2 GLU A 9 10.084 -1.723 8.385 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.425 -2.947 7.178 1.00 0.53 H new ATOM 0 HG2 GLU A 9 12.792 -2.966 7.800 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.541 -1.643 8.922 1.00 0.66 H new ATOM 129 N TYR A 10 11.558 -1.998 4.498 1.00 0.33 N ATOM 130 CA TYR A 10 12.362 -2.404 3.354 1.00 0.33 C ATOM 131 C TYR A 10 13.121 -1.193 2.810 1.00 0.33 C ATOM 132 O TYR A 10 14.319 -1.265 2.524 1.00 0.40 O ATOM 133 CB TYR A 10 11.465 -3.015 2.274 1.00 0.37 C ATOM 134 CG TYR A 10 12.221 -3.645 1.125 1.00 0.45 C ATOM 135 CD1 TYR A 10 12.688 -4.952 1.201 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.474 -2.925 -0.035 1.00 0.50 C ATOM 137 CE1 TYR A 10 13.385 -5.521 0.152 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.170 -3.487 -1.086 1.00 0.60 C ATOM 139 CZ TYR A 10 13.597 -4.819 -0.986 1.00 0.68 C ATOM 140 OH TYR A 10 14.320 -5.350 -2.032 1.00 0.80 O ATOM 0 H TYR A 10 10.556 -2.150 4.380 1.00 0.33 H new ATOM 0 HA TYR A 10 13.084 -3.160 3.664 1.00 0.33 H new ATOM 0 HB2 TYR A 10 10.827 -3.770 2.732 1.00 0.37 H new ATOM 0 HB3 TYR A 10 10.809 -2.239 1.881 1.00 0.37 H new ATOM 0 HD1 TYR A 10 12.503 -5.532 2.093 1.00 0.56 H new ATOM 0 HD2 TYR A 10 12.120 -1.908 -0.116 1.00 0.50 H new ATOM 0 HE1 TYR A 10 13.762 -6.529 0.240 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.383 -2.909 -1.973 1.00 0.60 H new ATOM 0 HH TYR A 10 14.311 -4.725 -2.787 1.00 0.80 H new ATOM 150 N LEU A 11 12.415 -0.073 2.690 1.00 0.33 N ATOM 151 CA LEU A 11 13.033 1.181 2.275 1.00 0.40 C ATOM 152 C LEU A 11 13.976 1.708 3.349 1.00 0.41 C ATOM 153 O LEU A 11 15.060 2.201 3.035 1.00 0.51 O ATOM 154 CB LEU A 11 11.980 2.234 1.933 1.00 0.47 C ATOM 155 CG LEU A 11 11.487 2.219 0.480 1.00 0.82 C ATOM 156 CD1 LEU A 11 10.752 0.929 0.155 1.00 1.30 C ATOM 157 CD2 LEU A 11 10.600 3.422 0.209 1.00 1.45 C ATOM 0 H LEU A 11 11.414 -0.008 2.874 1.00 0.33 H new ATOM 0 HA LEU A 11 13.613 0.975 1.375 1.00 0.40 H new ATOM 0 HB2 LEU A 11 11.123 2.095 2.592 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.392 3.220 2.150 1.00 0.47 H new ATOM 0 HG LEU A 11 12.361 2.274 -0.169 1.00 0.82 H new ATOM 0 HD11 LEU A 11 10.417 0.953 -0.882 1.00 1.30 H new ATOM 0 HD12 LEU A 11 11.422 0.082 0.301 1.00 1.30 H new ATOM 0 HD13 LEU A 11 9.889 0.826 0.813 1.00 1.30 H new ATOM 0 HD21 LEU A 11 10.259 3.397 -0.826 1.00 1.45 H new ATOM 0 HD22 LEU A 11 9.738 3.396 0.876 1.00 1.45 H new ATOM 0 HD23 LEU A 11 11.166 4.338 0.382 1.00 1.45 H new ATOM 169 N GLU A 12 13.569 1.590 4.608 1.00 0.39 N ATOM 170 CA GLU A 12 14.399 2.025 5.725 1.00 0.50 C ATOM 171 C GLU A 12 15.762 1.337 5.689 1.00 0.53 C ATOM 172 O GLU A 12 16.805 1.989 5.688 1.00 0.61 O ATOM 173 CB GLU A 12 13.725 1.719 7.069 1.00 0.59 C ATOM 174 CG GLU A 12 12.347 2.343 7.237 1.00 0.65 C ATOM 175 CD GLU A 12 11.721 2.032 8.586 1.00 0.74 C ATOM 176 OE1 GLU A 12 11.935 0.916 9.106 1.00 0.90 O ATOM 177 OE2 GLU A 12 11.009 2.896 9.132 1.00 1.41 O ATOM 0 H GLU A 12 12.668 1.196 4.881 1.00 0.39 H new ATOM 0 HA GLU A 12 14.531 3.103 5.627 1.00 0.50 H new ATOM 0 HB2 GLU A 12 13.637 0.638 7.180 1.00 0.59 H new ATOM 0 HB3 GLU A 12 14.370 2.071 7.874 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.426 3.424 7.118 1.00 0.65 H new ATOM 0 HG3 GLU A 12 11.691 1.982 6.445 1.00 0.65 H new ATOM 184 N ARG A 13 15.742 0.014 5.648 1.00 0.50 N ATOM 185 CA ARG A 13 16.962 -0.777 5.761 1.00 0.57 C ATOM 186 C ARG A 13 17.751 -0.852 4.452 1.00 0.60 C ATOM 187 O ARG A 13 18.980 -0.883 4.472 1.00 0.69 O ATOM 188 CB ARG A 13 16.630 -2.190 6.238 1.00 0.58 C ATOM 189 CG ARG A 13 15.995 -2.240 7.619 1.00 0.61 C ATOM 190 CD ARG A 13 15.739 -3.672 8.054 1.00 0.65 C ATOM 191 NE ARG A 13 16.973 -4.458 8.095 1.00 1.36 N ATOM 192 CZ ARG A 13 17.029 -5.744 8.438 1.00 1.54 C ATOM 193 NH1 ARG A 13 15.932 -6.378 8.843 1.00 1.16 N ATOM 194 NH2 ARG A 13 18.187 -6.394 8.395 1.00 2.57 N ATOM 0 H ARG A 13 14.892 -0.538 5.537 1.00 0.50 H new ATOM 0 HA ARG A 13 17.594 -0.270 6.490 1.00 0.57 H new ATOM 0 HB2 ARG A 13 15.954 -2.656 5.521 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.544 -2.784 6.247 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.648 -1.749 8.340 1.00 0.61 H new ATOM 0 HG3 ARG A 13 15.056 -1.686 7.611 1.00 0.61 H new ATOM 0 HD2 ARG A 13 15.274 -3.674 9.040 1.00 0.65 H new ATOM 0 HD3 ARG A 13 15.033 -4.140 7.367 1.00 0.65 H new ATOM 0 HE ARG A 13 17.845 -3.992 7.845 1.00 1.36 H new ATOM 0 HH11 ARG A 13 15.043 -5.879 8.892 1.00 1.16 H new ATOM 0 HH12 ARG A 13 15.979 -7.363 9.105 1.00 1.16 H new ATOM 0 HH21 ARG A 13 19.034 -5.908 8.099 1.00 2.57 H new ATOM 0 HH22 ARG A 13 18.229 -7.379 8.658 1.00 2.57 H new ATOM 208 N PHE A 14 17.063 -0.898 3.317 1.00 0.58 N ATOM 209 CA PHE A 14 17.740 -1.170 2.051 1.00 0.68 C ATOM 210 C PHE A 14 17.710 0.021 1.095 1.00 0.75 C ATOM 211 O PHE A 14 18.758 0.548 0.725 1.00 0.96 O ATOM 212 CB PHE A 14 17.120 -2.397 1.374 1.00 0.68 C ATOM 213 CG PHE A 14 17.192 -3.645 2.207 1.00 0.72 C ATOM 214 CD1 PHE A 14 18.365 -4.380 2.282 1.00 0.88 C ATOM 215 CD2 PHE A 14 16.082 -4.089 2.908 1.00 0.69 C ATOM 216 CE1 PHE A 14 18.429 -5.533 3.039 1.00 0.98 C ATOM 217 CE2 PHE A 14 16.140 -5.241 3.669 1.00 0.79 C ATOM 218 CZ PHE A 14 17.335 -5.942 3.765 1.00 0.93 C ATOM 0 H PHE A 14 16.056 -0.754 3.245 1.00 0.58 H new ATOM 0 HA PHE A 14 18.786 -1.365 2.288 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.076 -2.185 1.142 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.628 -2.574 0.426 1.00 0.68 H new ATOM 0 HD1 PHE A 14 19.239 -4.047 1.742 1.00 0.88 H new ATOM 0 HD2 PHE A 14 15.161 -3.528 2.859 1.00 0.69 H new ATOM 0 HE1 PHE A 14 19.339 -6.114 3.061 1.00 0.98 H new ATOM 0 HE2 PHE A 14 15.260 -5.594 4.187 1.00 0.79 H new ATOM 0 HZ PHE A 14 17.405 -6.807 4.408 1.00 0.93 H new ATOM 228 N SER A 15 16.515 0.446 0.707 1.00 0.69 N ATOM 229 CA SER A 15 16.358 1.436 -0.355 1.00 0.83 C ATOM 230 C SER A 15 16.989 2.788 -0.001 1.00 0.91 C ATOM 231 O SER A 15 17.763 3.338 -0.785 1.00 1.07 O ATOM 232 CB SER A 15 14.875 1.611 -0.679 1.00 0.81 C ATOM 233 OG SER A 15 14.251 0.351 -0.873 1.00 1.37 O ATOM 0 H SER A 15 15.637 0.121 1.112 1.00 0.69 H new ATOM 0 HA SER A 15 16.888 1.062 -1.231 1.00 0.83 H new ATOM 0 HB2 SER A 15 14.381 2.146 0.132 1.00 0.81 H new ATOM 0 HB3 SER A 15 14.763 2.220 -1.576 1.00 0.81 H new ATOM 0 HG SER A 15 13.302 0.484 -1.078 1.00 1.37 H new ATOM 239 N LEU A 16 16.670 3.314 1.173 1.00 0.84 N ATOM 240 CA LEU A 16 17.103 4.657 1.542 1.00 0.95 C ATOM 241 C LEU A 16 18.235 4.637 2.560 1.00 0.98 C ATOM 242 O LEU A 16 18.991 5.603 2.672 1.00 1.12 O ATOM 243 CB LEU A 16 15.926 5.450 2.108 1.00 0.94 C ATOM 244 CG LEU A 16 14.723 5.582 1.177 1.00 0.99 C ATOM 245 CD1 LEU A 16 13.568 6.242 1.906 1.00 0.95 C ATOM 246 CD2 LEU A 16 15.093 6.375 -0.068 1.00 1.22 C ATOM 0 H LEU A 16 16.116 2.836 1.884 1.00 0.84 H new ATOM 0 HA LEU A 16 17.476 5.135 0.636 1.00 0.95 H new ATOM 0 HB2 LEU A 16 15.599 4.974 3.033 1.00 0.94 H new ATOM 0 HB3 LEU A 16 16.274 6.449 2.370 1.00 0.94 H new ATOM 0 HG LEU A 16 14.414 4.584 0.865 1.00 0.99 H new ATOM 0 HD11 LEU A 16 12.716 6.331 1.232 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.288 5.636 2.768 1.00 0.95 H new ATOM 0 HD13 LEU A 16 13.869 7.234 2.243 1.00 0.95 H new ATOM 0 HD21 LEU A 16 14.222 6.458 -0.719 1.00 1.22 H new ATOM 0 HD22 LEU A 16 15.426 7.372 0.221 1.00 1.22 H new ATOM 0 HD23 LEU A 16 15.896 5.864 -0.600 1.00 1.22 H new ATOM 258 N LYS A 17 18.330 3.536 3.314 1.00 0.88 N ATOM 259 CA LYS A 17 19.337 3.379 4.371 1.00 0.96 C ATOM 260 C LYS A 17 19.051 4.323 5.538 1.00 1.01 C ATOM 261 O LYS A 17 19.865 4.479 6.449 1.00 1.13 O ATOM 262 CB LYS A 17 20.755 3.599 3.831 1.00 1.12 C ATOM 263 CG LYS A 17 21.194 2.528 2.846 1.00 1.09 C ATOM 264 CD LYS A 17 21.224 1.158 3.502 1.00 1.00 C ATOM 265 CE LYS A 17 21.513 0.060 2.492 1.00 1.08 C ATOM 266 NZ LYS A 17 21.475 -1.292 3.114 1.00 1.20 N ATOM 0 H LYS A 17 17.713 2.730 3.210 1.00 0.88 H new ATOM 0 HA LYS A 17 19.276 2.353 4.735 1.00 0.96 H new ATOM 0 HB2 LYS A 17 20.804 4.573 3.344 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.455 3.624 4.666 1.00 1.12 H new ATOM 0 HG2 LYS A 17 20.513 2.512 1.995 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.183 2.770 2.458 1.00 1.09 H new ATOM 0 HD2 LYS A 17 21.985 1.144 4.283 1.00 1.00 H new ATOM 0 HD3 LYS A 17 20.267 0.965 3.986 1.00 1.00 H new ATOM 0 HE2 LYS A 17 20.783 0.108 1.684 1.00 1.08 H new ATOM 0 HE3 LYS A 17 22.493 0.227 2.046 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 21.457 -2.017 2.368 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 22.320 -1.426 3.706 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 20.622 -1.379 3.703 1.00 1.20 H new ATOM 280 N ALA A 18 17.871 4.918 5.503 1.00 0.97 N ATOM 281 CA ALA A 18 17.415 5.826 6.540 1.00 1.05 C ATOM 282 C ALA A 18 15.997 5.450 6.935 1.00 0.85 C ATOM 283 O ALA A 18 15.224 4.987 6.097 1.00 0.93 O ATOM 284 CB ALA A 18 17.471 7.264 6.045 1.00 1.21 C ATOM 0 H ALA A 18 17.198 4.783 4.748 1.00 0.97 H new ATOM 0 HA ALA A 18 18.066 5.746 7.411 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.126 7.934 6.833 1.00 1.21 H new ATOM 0 HB2 ALA A 18 18.497 7.517 5.777 1.00 1.21 H new ATOM 0 HB3 ALA A 18 16.830 7.373 5.170 1.00 1.21 H new ATOM 290 N LYS A 19 15.653 5.638 8.198 1.00 0.94 N ATOM 291 CA LYS A 19 14.361 5.192 8.688 1.00 0.87 C ATOM 292 C LYS A 19 13.263 6.155 8.254 1.00 0.66 C ATOM 293 O LYS A 19 13.378 7.370 8.430 1.00 0.72 O ATOM 294 CB LYS A 19 14.373 5.040 10.208 1.00 1.18 C ATOM 295 CG LYS A 19 13.372 4.005 10.678 1.00 1.36 C ATOM 296 CD LYS A 19 13.312 3.878 12.185 1.00 1.62 C ATOM 297 CE LYS A 19 12.505 2.652 12.585 1.00 1.96 C ATOM 298 NZ LYS A 19 11.182 2.605 11.900 1.00 2.32 N ATOM 0 H LYS A 19 16.243 6.091 8.896 1.00 0.94 H new ATOM 0 HA LYS A 19 14.155 4.214 8.254 1.00 0.87 H new ATOM 0 HB2 LYS A 19 15.372 4.755 10.537 1.00 1.18 H new ATOM 0 HB3 LYS A 19 14.147 6.001 10.671 1.00 1.18 H new ATOM 0 HG2 LYS A 19 12.383 4.268 10.302 1.00 1.36 H new ATOM 0 HG3 LYS A 19 13.630 3.037 10.248 1.00 1.36 H new ATOM 0 HD2 LYS A 19 14.321 3.804 12.590 1.00 1.62 H new ATOM 0 HD3 LYS A 19 12.861 4.773 12.614 1.00 1.62 H new ATOM 0 HE2 LYS A 19 13.070 1.752 12.344 1.00 1.96 H new ATOM 0 HE3 LYS A 19 12.354 2.654 13.665 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 10.694 1.721 12.148 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 10.605 3.416 12.203 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 11.323 2.645 10.870 1.00 2.32 H new ATOM 312 N ILE A 20 12.198 5.605 7.691 1.00 0.55 N ATOM 313 CA ILE A 20 11.138 6.410 7.113 1.00 0.46 C ATOM 314 C ILE A 20 10.180 6.928 8.180 1.00 0.53 C ATOM 315 O ILE A 20 9.739 6.190 9.062 1.00 0.66 O ATOM 316 CB ILE A 20 10.330 5.622 6.058 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.238 5.143 4.913 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.182 6.465 5.516 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.470 4.711 3.686 1.00 0.77 C ATOM 0 H ILE A 20 12.047 4.599 7.623 1.00 0.55 H new ATOM 0 HA ILE A 20 11.628 7.255 6.629 1.00 0.46 H new ATOM 0 HB ILE A 20 9.909 4.743 6.546 1.00 0.51 H new ATOM 0 HG12 ILE A 20 11.923 5.946 4.641 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.847 4.310 5.265 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.627 5.890 4.775 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.516 6.742 6.334 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.581 7.367 5.051 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.169 4.385 2.916 1.00 0.77 H new ATOM 0 HD12 ILE A 20 9.804 3.887 3.945 1.00 0.77 H new ATOM 0 HD13 ILE A 20 9.882 5.549 3.311 1.00 0.77 H new ATOM 331 N ASN A 21 9.871 8.207 8.086 1.00 0.51 N ATOM 332 CA ASN A 21 8.845 8.818 8.907 1.00 0.59 C ATOM 333 C ASN A 21 8.012 9.749 8.031 1.00 0.67 C ATOM 334 O ASN A 21 8.170 9.733 6.810 1.00 0.69 O ATOM 335 CB ASN A 21 9.452 9.568 10.101 1.00 0.63 C ATOM 336 CG ASN A 21 10.210 10.818 9.702 1.00 1.26 C ATOM 337 OD1 ASN A 21 9.634 11.901 9.631 1.00 2.19 O ATOM 338 ND2 ASN A 21 11.499 10.681 9.435 1.00 1.85 N ATOM 0 H ASN A 21 10.324 8.851 7.438 1.00 0.51 H new ATOM 0 HA ASN A 21 8.205 8.040 9.324 1.00 0.59 H new ATOM 0 HB2 ASN A 21 8.655 9.840 10.793 1.00 0.63 H new ATOM 0 HB3 ASN A 21 10.125 8.899 10.637 1.00 0.63 H new ATOM 0 HD21 ASN A 21 12.052 11.493 9.158 1.00 1.85 H new ATOM 0 HD22 ASN A 21 11.940 9.764 9.506 1.00 1.85 H new ATOM 345 N ASN A 22 7.163 10.572 8.622 1.00 0.78 N ATOM 346 CA ASN A 22 6.235 11.390 7.839 1.00 0.97 C ATOM 347 C ASN A 22 6.947 12.486 7.033 1.00 0.99 C ATOM 348 O ASN A 22 6.377 13.028 6.085 1.00 1.18 O ATOM 349 CB ASN A 22 5.164 12.008 8.744 1.00 1.13 C ATOM 350 CG ASN A 22 5.737 12.880 9.845 1.00 1.38 C ATOM 351 OD1 ASN A 22 6.119 12.389 10.906 1.00 1.80 O ATOM 352 ND2 ASN A 22 5.779 14.182 9.611 1.00 2.01 N ATOM 0 H ASN A 22 7.092 10.696 9.632 1.00 0.78 H new ATOM 0 HA ASN A 22 5.758 10.722 7.121 1.00 0.97 H new ATOM 0 HB2 ASN A 22 4.484 12.604 8.135 1.00 1.13 H new ATOM 0 HB3 ASN A 22 4.573 11.210 9.193 1.00 1.13 H new ATOM 0 HD21 ASN A 22 6.138 14.817 10.324 1.00 2.01 H new ATOM 0 HD22 ASN A 22 5.453 14.550 8.718 1.00 2.01 H new ATOM 359 N THR A 23 8.189 12.796 7.381 1.00 0.90 N ATOM 360 CA THR A 23 8.913 13.876 6.713 1.00 1.04 C ATOM 361 C THR A 23 9.776 13.371 5.553 1.00 0.91 C ATOM 362 O THR A 23 10.651 14.088 5.069 1.00 0.91 O ATOM 363 CB THR A 23 9.806 14.656 7.698 1.00 1.27 C ATOM 364 OG1 THR A 23 10.781 13.786 8.286 1.00 1.39 O ATOM 365 CG2 THR A 23 8.969 15.301 8.791 1.00 1.78 C ATOM 0 H THR A 23 8.715 12.321 8.115 1.00 0.90 H new ATOM 0 HA THR A 23 8.148 14.541 6.313 1.00 1.04 H new ATOM 0 HB THR A 23 10.318 15.440 7.140 1.00 1.27 H new ATOM 0 HG1 THR A 23 10.392 13.340 9.067 1.00 1.39 H new ATOM 0 HG21 THR A 23 9.620 15.846 9.474 1.00 1.78 H new ATOM 0 HG22 THR A 23 8.255 15.991 8.343 1.00 1.78 H new ATOM 0 HG23 THR A 23 8.431 14.529 9.341 1.00 1.78 H new ATOM 373 N THR A 24 9.536 12.145 5.104 1.00 0.92 N ATOM 374 CA THR A 24 10.296 11.589 3.992 1.00 0.90 C ATOM 375 C THR A 24 9.739 12.067 2.653 1.00 0.80 C ATOM 376 O THR A 24 8.531 12.269 2.507 1.00 1.03 O ATOM 377 CB THR A 24 10.304 10.054 4.030 1.00 1.18 C ATOM 378 OG1 THR A 24 8.987 9.558 4.306 1.00 1.68 O ATOM 379 CG2 THR A 24 11.285 9.547 5.075 1.00 1.42 C ATOM 0 H THR A 24 8.827 11.521 5.489 1.00 0.92 H new ATOM 0 HA THR A 24 11.321 11.944 4.096 1.00 0.90 H new ATOM 0 HB THR A 24 10.622 9.688 3.054 1.00 1.18 H new ATOM 0 HG1 THR A 24 8.892 9.401 5.269 1.00 1.68 H new ATOM 0 HG21 THR A 24 11.275 8.457 5.085 1.00 1.42 H new ATOM 0 HG22 THR A 24 12.288 9.898 4.833 1.00 1.42 H new ATOM 0 HG23 THR A 24 10.996 9.922 6.057 1.00 1.42 H new ATOM 387 N ASN A 25 10.620 12.260 1.684 1.00 0.71 N ATOM 388 CA ASN A 25 10.215 12.722 0.363 1.00 0.76 C ATOM 389 C ASN A 25 10.291 11.594 -0.653 1.00 0.77 C ATOM 390 O ASN A 25 11.002 11.683 -1.654 1.00 0.87 O ATOM 391 CB ASN A 25 11.082 13.900 -0.087 1.00 0.90 C ATOM 392 CG ASN A 25 10.593 15.229 0.458 1.00 1.23 C ATOM 393 OD1 ASN A 25 9.282 15.380 0.572 1.00 1.82 O flip ATOM 394 ND2 ASN A 25 11.386 16.127 0.747 1.00 1.98 N flip ATOM 0 H ASN A 25 11.623 12.104 1.787 1.00 0.71 H new ATOM 0 HA ASN A 25 9.180 13.057 0.428 1.00 0.76 H new ATOM 0 HB2 ASN A 25 12.109 13.735 0.238 1.00 0.90 H new ATOM 0 HB3 ASN A 25 11.095 13.941 -1.176 1.00 0.90 H new ATOM 0 HD21 ASN A 25 12.389 15.973 0.646 1.00 1.98 H new ATOM 0 HD22 ASN A 25 11.039 17.024 1.087 1.00 1.98 H new ATOM 401 N LEU A 26 9.543 10.530 -0.395 1.00 0.79 N ATOM 402 CA LEU A 26 9.493 9.395 -1.309 1.00 0.82 C ATOM 403 C LEU A 26 8.635 9.716 -2.523 1.00 0.74 C ATOM 404 O LEU A 26 8.562 8.926 -3.459 1.00 0.74 O ATOM 405 CB LEU A 26 8.951 8.138 -0.617 1.00 1.09 C ATOM 406 CG LEU A 26 9.985 7.303 0.146 1.00 1.55 C ATOM 407 CD1 LEU A 26 11.148 6.935 -0.764 1.00 2.31 C ATOM 408 CD2 LEU A 26 10.479 8.042 1.378 1.00 2.48 C ATOM 0 H LEU A 26 8.963 10.428 0.438 1.00 0.79 H new ATOM 0 HA LEU A 26 10.515 9.198 -1.633 1.00 0.82 H new ATOM 0 HB2 LEU A 26 8.168 8.438 0.079 1.00 1.09 H new ATOM 0 HB3 LEU A 26 8.483 7.504 -1.370 1.00 1.09 H new ATOM 0 HG LEU A 26 9.502 6.384 0.478 1.00 1.55 H new ATOM 0 HD11 LEU A 26 11.873 6.342 -0.206 1.00 2.31 H new ATOM 0 HD12 LEU A 26 10.779 6.355 -1.610 1.00 2.31 H new ATOM 0 HD13 LEU A 26 11.626 7.844 -1.129 1.00 2.31 H new ATOM 0 HD21 LEU A 26 11.212 7.428 1.901 1.00 2.48 H new ATOM 0 HD22 LEU A 26 10.942 8.982 1.077 1.00 2.48 H new ATOM 0 HD23 LEU A 26 9.638 8.247 2.041 1.00 2.48 H new ATOM 420 N ASP A 27 8.004 10.879 -2.510 1.00 0.78 N ATOM 421 CA ASP A 27 7.165 11.308 -3.621 1.00 0.89 C ATOM 422 C ASP A 27 8.009 11.576 -4.864 1.00 0.81 C ATOM 423 O ASP A 27 7.558 11.373 -5.990 1.00 0.99 O ATOM 424 CB ASP A 27 6.348 12.548 -3.238 1.00 1.04 C ATOM 425 CG ASP A 27 7.204 13.693 -2.732 1.00 1.41 C ATOM 426 OD1 ASP A 27 7.694 13.610 -1.582 1.00 1.43 O ATOM 427 OD2 ASP A 27 7.370 14.688 -3.466 1.00 2.18 O ATOM 0 H ASP A 27 8.056 11.546 -1.740 1.00 0.78 H new ATOM 0 HA ASP A 27 6.468 10.502 -3.852 1.00 0.89 H new ATOM 0 HB2 ASP A 27 5.780 12.883 -4.106 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.625 12.276 -2.469 1.00 1.04 H new ATOM 432 N TYR A 28 9.250 11.998 -4.660 1.00 0.70 N ATOM 433 CA TYR A 28 10.157 12.244 -5.775 1.00 0.82 C ATOM 434 C TYR A 28 10.793 10.941 -6.249 1.00 0.69 C ATOM 435 O TYR A 28 11.312 10.860 -7.362 1.00 0.83 O ATOM 436 CB TYR A 28 11.275 13.214 -5.382 1.00 1.02 C ATOM 437 CG TYR A 28 10.799 14.509 -4.762 1.00 1.16 C ATOM 438 CD1 TYR A 28 9.996 15.396 -5.469 1.00 1.32 C ATOM 439 CD2 TYR A 28 11.156 14.841 -3.464 1.00 1.24 C ATOM 440 CE1 TYR A 28 9.566 16.578 -4.896 1.00 1.48 C ATOM 441 CE2 TYR A 28 10.731 16.018 -2.887 1.00 1.38 C ATOM 442 CZ TYR A 28 9.937 16.882 -3.604 1.00 1.47 C ATOM 443 OH TYR A 28 9.509 18.055 -3.022 1.00 1.64 O ATOM 0 H TYR A 28 9.650 12.176 -3.739 1.00 0.70 H new ATOM 0 HA TYR A 28 9.564 12.684 -6.577 1.00 0.82 H new ATOM 0 HB2 TYR A 28 11.941 12.714 -4.679 1.00 1.02 H new ATOM 0 HB3 TYR A 28 11.864 13.447 -6.269 1.00 1.02 H new ATOM 0 HD1 TYR A 28 9.704 15.158 -6.481 1.00 1.32 H new ATOM 0 HD2 TYR A 28 11.778 14.165 -2.895 1.00 1.24 H new ATOM 0 HE1 TYR A 28 8.943 17.259 -5.457 1.00 1.48 H new ATOM 0 HE2 TYR A 28 11.020 16.261 -1.875 1.00 1.38 H new ATOM 0 HH TYR A 28 9.859 18.114 -2.109 1.00 1.64 H new ATOM 453 N SER A 29 10.750 9.921 -5.404 1.00 0.52 N ATOM 454 CA SER A 29 11.490 8.699 -5.676 1.00 0.50 C ATOM 455 C SER A 29 10.578 7.530 -6.038 1.00 0.43 C ATOM 456 O SER A 29 10.986 6.641 -6.773 1.00 0.43 O ATOM 457 CB SER A 29 12.341 8.332 -4.463 1.00 0.53 C ATOM 458 OG SER A 29 13.007 9.478 -3.954 1.00 0.61 O ATOM 0 H SER A 29 10.217 9.915 -4.534 1.00 0.52 H new ATOM 0 HA SER A 29 12.127 8.892 -6.539 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.710 7.897 -3.688 1.00 0.53 H new ATOM 0 HB3 SER A 29 13.073 7.573 -4.741 1.00 0.53 H new ATOM 0 HG SER A 29 13.546 9.224 -3.176 1.00 0.61 H new ATOM 464 N ARG A 30 9.348 7.527 -5.542 1.00 0.42 N ATOM 465 CA ARG A 30 8.461 6.381 -5.734 1.00 0.40 C ATOM 466 C ARG A 30 8.266 6.070 -7.216 1.00 0.38 C ATOM 467 O ARG A 30 8.166 4.909 -7.604 1.00 0.39 O ATOM 468 CB ARG A 30 7.106 6.610 -5.062 1.00 0.43 C ATOM 469 CG ARG A 30 6.731 5.501 -4.091 1.00 0.49 C ATOM 470 CD ARG A 30 7.604 5.533 -2.845 1.00 0.73 C ATOM 471 NE ARG A 30 7.594 4.262 -2.113 1.00 1.07 N ATOM 472 CZ ARG A 30 7.205 4.132 -0.842 1.00 1.18 C ATOM 473 NH1 ARG A 30 6.646 5.157 -0.213 1.00 1.25 N ATOM 474 NH2 ARG A 30 7.335 2.964 -0.217 1.00 1.86 N ATOM 0 H ARG A 30 8.942 8.296 -5.008 1.00 0.42 H new ATOM 0 HA ARG A 30 8.940 5.522 -5.263 1.00 0.40 H new ATOM 0 HB2 ARG A 30 7.127 7.561 -4.529 1.00 0.43 H new ATOM 0 HB3 ARG A 30 6.335 6.691 -5.828 1.00 0.43 H new ATOM 0 HG2 ARG A 30 5.684 5.604 -3.806 1.00 0.49 H new ATOM 0 HG3 ARG A 30 6.833 4.534 -4.584 1.00 0.49 H new ATOM 0 HD2 ARG A 30 8.628 5.775 -3.130 1.00 0.73 H new ATOM 0 HD3 ARG A 30 7.260 6.330 -2.186 1.00 0.73 H new ATOM 0 HE ARG A 30 7.904 3.424 -2.606 1.00 1.07 H new ATOM 0 HH11 ARG A 30 6.514 6.043 -0.700 1.00 1.25 H new ATOM 0 HH12 ARG A 30 6.348 5.059 0.758 1.00 1.25 H new ATOM 0 HH21 ARG A 30 7.733 2.164 -0.709 1.00 1.86 H new ATOM 0 HH22 ARG A 30 7.037 2.869 0.754 1.00 1.86 H new ATOM 488 N ARG A 31 8.270 7.108 -8.040 1.00 0.39 N ATOM 489 CA ARG A 31 8.091 6.939 -9.482 1.00 0.43 C ATOM 490 C ARG A 31 9.333 6.325 -10.149 1.00 0.42 C ATOM 491 O ARG A 31 9.288 5.932 -11.314 1.00 0.51 O ATOM 492 CB ARG A 31 7.692 8.266 -10.166 1.00 0.55 C ATOM 493 CG ARG A 31 8.344 9.532 -9.608 1.00 1.16 C ATOM 494 CD ARG A 31 9.860 9.514 -9.722 1.00 1.92 C ATOM 495 NE ARG A 31 10.320 9.620 -11.105 1.00 2.67 N ATOM 496 CZ ARG A 31 11.582 9.868 -11.450 1.00 3.57 C ATOM 497 NH1 ARG A 31 12.510 10.033 -10.515 1.00 3.96 N ATOM 498 NH2 ARG A 31 11.914 9.961 -12.732 1.00 4.35 N ATOM 0 H ARG A 31 8.395 8.075 -7.740 1.00 0.39 H new ATOM 0 HA ARG A 31 7.269 6.236 -9.616 1.00 0.43 H new ATOM 0 HB2 ARG A 31 7.936 8.193 -11.226 1.00 0.55 H new ATOM 0 HB3 ARG A 31 6.610 8.377 -10.095 1.00 0.55 H new ATOM 0 HG2 ARG A 31 7.955 10.400 -10.140 1.00 1.16 H new ATOM 0 HG3 ARG A 31 8.064 9.648 -8.561 1.00 1.16 H new ATOM 0 HD2 ARG A 31 10.274 10.338 -9.141 1.00 1.92 H new ATOM 0 HD3 ARG A 31 10.243 8.592 -9.285 1.00 1.92 H new ATOM 0 HE ARG A 31 9.634 9.497 -11.850 1.00 2.67 H new ATOM 0 HH11 ARG A 31 12.257 9.970 -9.529 1.00 3.96 H new ATOM 0 HH12 ARG A 31 13.476 10.223 -10.783 1.00 3.96 H new ATOM 0 HH21 ARG A 31 11.202 9.843 -13.453 1.00 4.35 H new ATOM 0 HH22 ARG A 31 12.881 10.151 -12.996 1.00 4.35 H new ATOM 512 N PHE A 32 10.439 6.248 -9.415 1.00 0.39 N ATOM 513 CA PHE A 32 11.644 5.589 -9.916 1.00 0.42 C ATOM 514 C PHE A 32 11.882 4.311 -9.126 1.00 0.40 C ATOM 515 O PHE A 32 12.719 3.483 -9.481 1.00 0.47 O ATOM 516 CB PHE A 32 12.856 6.544 -9.856 1.00 0.53 C ATOM 517 CG PHE A 32 13.880 6.242 -8.786 1.00 1.08 C ATOM 518 CD1 PHE A 32 13.757 6.785 -7.521 1.00 1.15 C ATOM 519 CD2 PHE A 32 14.971 5.429 -9.057 1.00 2.08 C ATOM 520 CE1 PHE A 32 14.693 6.522 -6.541 1.00 2.18 C ATOM 521 CE2 PHE A 32 15.914 5.165 -8.082 1.00 3.15 C ATOM 522 CZ PHE A 32 15.774 5.711 -6.821 1.00 3.19 C ATOM 0 H PHE A 32 10.527 6.632 -8.474 1.00 0.39 H new ATOM 0 HA PHE A 32 11.508 5.322 -10.964 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.355 6.528 -10.825 1.00 0.53 H new ATOM 0 HB3 PHE A 32 12.488 7.559 -9.704 1.00 0.53 H new ATOM 0 HD1 PHE A 32 12.916 7.424 -7.296 1.00 1.15 H new ATOM 0 HD2 PHE A 32 15.085 4.998 -10.041 1.00 2.08 H new ATOM 0 HE1 PHE A 32 14.579 6.950 -5.556 1.00 2.18 H new ATOM 0 HE2 PHE A 32 16.760 4.532 -8.306 1.00 3.15 H new ATOM 0 HZ PHE A 32 16.508 5.504 -6.056 1.00 3.19 H new ATOM 532 N LEU A 33 11.111 4.152 -8.061 1.00 0.34 N ATOM 533 CA LEU A 33 11.094 2.913 -7.308 1.00 0.34 C ATOM 534 C LEU A 33 10.173 1.920 -8.004 1.00 0.32 C ATOM 535 O LEU A 33 10.245 0.718 -7.759 1.00 0.37 O ATOM 536 CB LEU A 33 10.640 3.162 -5.863 1.00 0.34 C ATOM 537 CG LEU A 33 11.571 4.050 -5.033 1.00 0.39 C ATOM 538 CD1 LEU A 33 11.003 4.255 -3.640 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.965 3.445 -4.956 1.00 0.47 C ATOM 0 H LEU A 33 10.486 4.872 -7.699 1.00 0.34 H new ATOM 0 HA LEU A 33 12.102 2.500 -7.268 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.650 3.619 -5.883 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.537 2.200 -5.360 1.00 0.34 H new ATOM 0 HG LEU A 33 11.647 5.020 -5.524 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.676 4.888 -3.062 1.00 0.39 H new ATOM 0 HD12 LEU A 33 10.027 4.734 -3.712 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.898 3.290 -3.144 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.610 4.092 -4.362 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.909 2.461 -4.490 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.375 3.348 -5.961 1.00 0.47 H new ATOM 551 N GLU A 34 9.308 2.445 -8.880 1.00 0.30 N ATOM 552 CA GLU A 34 8.451 1.616 -9.730 1.00 0.29 C ATOM 553 C GLU A 34 9.244 0.525 -10.455 1.00 0.32 C ATOM 554 O GLU A 34 8.897 -0.650 -10.353 1.00 0.32 O ATOM 555 CB GLU A 34 7.715 2.474 -10.765 1.00 0.31 C ATOM 556 CG GLU A 34 6.401 3.031 -10.277 1.00 0.35 C ATOM 557 CD GLU A 34 5.699 3.862 -11.331 1.00 0.52 C ATOM 558 OE1 GLU A 34 5.029 3.278 -12.206 1.00 0.82 O ATOM 559 OE2 GLU A 34 5.803 5.105 -11.281 1.00 0.67 O ATOM 0 H GLU A 34 9.184 3.448 -9.018 1.00 0.30 H new ATOM 0 HA GLU A 34 7.728 1.136 -9.070 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.361 3.301 -11.062 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.535 1.874 -11.657 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.752 2.210 -9.974 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.575 3.643 -9.392 1.00 0.35 H new ATOM 566 N PRO A 35 10.321 0.881 -11.194 1.00 0.35 N ATOM 567 CA PRO A 35 11.127 -0.111 -11.904 1.00 0.37 C ATOM 568 C PRO A 35 11.711 -1.184 -10.978 1.00 0.36 C ATOM 569 O PRO A 35 11.980 -2.308 -11.402 1.00 0.38 O ATOM 570 CB PRO A 35 12.250 0.710 -12.543 1.00 0.45 C ATOM 571 CG PRO A 35 11.702 2.087 -12.643 1.00 0.51 C ATOM 572 CD PRO A 35 10.805 2.251 -11.451 1.00 0.38 C ATOM 0 HA PRO A 35 10.523 -0.663 -12.625 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.153 0.687 -11.933 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.518 0.318 -13.524 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.501 2.828 -12.637 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.148 2.222 -13.572 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.345 2.653 -10.594 1.00 0.38 H new ATOM 0 HD3 PRO A 35 9.982 2.935 -11.659 1.00 0.38 H new ATOM 580 N PHE A 36 11.895 -0.827 -9.710 1.00 0.35 N ATOM 581 CA PHE A 36 12.449 -1.744 -8.719 1.00 0.38 C ATOM 582 C PHE A 36 11.351 -2.623 -8.123 1.00 0.34 C ATOM 583 O PHE A 36 11.606 -3.731 -7.648 1.00 0.43 O ATOM 584 CB PHE A 36 13.165 -0.946 -7.621 1.00 0.46 C ATOM 585 CG PHE A 36 13.829 -1.791 -6.567 1.00 0.52 C ATOM 586 CD1 PHE A 36 14.763 -2.757 -6.917 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.512 -1.627 -5.228 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.366 -3.537 -5.950 1.00 0.69 C ATOM 589 CE2 PHE A 36 14.113 -2.405 -4.258 1.00 0.72 C ATOM 590 CZ PHE A 36 15.069 -3.341 -4.622 1.00 0.70 C ATOM 0 H PHE A 36 11.667 0.097 -9.343 1.00 0.35 H new ATOM 0 HA PHE A 36 13.171 -2.399 -9.207 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.918 -0.309 -8.085 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.443 -0.287 -7.139 1.00 0.46 H new ATOM 0 HD1 PHE A 36 15.021 -2.900 -7.956 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.786 -0.881 -4.939 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.072 -4.302 -6.237 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.839 -2.285 -3.220 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.580 -3.915 -3.863 1.00 0.70 H new ATOM 600 N LEU A 37 10.127 -2.122 -8.174 1.00 0.27 N ATOM 601 CA LEU A 37 8.974 -2.815 -7.610 1.00 0.26 C ATOM 602 C LEU A 37 8.239 -3.602 -8.686 1.00 0.25 C ATOM 603 O LEU A 37 7.239 -4.266 -8.415 1.00 0.30 O ATOM 604 CB LEU A 37 8.028 -1.803 -6.957 1.00 0.30 C ATOM 605 CG LEU A 37 8.353 -1.400 -5.509 1.00 0.39 C ATOM 606 CD1 LEU A 37 9.852 -1.296 -5.265 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.693 -0.073 -5.189 1.00 0.99 C ATOM 0 H LEU A 37 9.902 -1.226 -8.606 1.00 0.27 H new ATOM 0 HA LEU A 37 9.326 -3.517 -6.854 1.00 0.26 H new ATOM 0 HB2 LEU A 37 8.018 -0.901 -7.569 1.00 0.30 H new ATOM 0 HB3 LEU A 37 7.019 -2.215 -6.979 1.00 0.30 H new ATOM 0 HG LEU A 37 7.965 -2.181 -4.855 1.00 0.39 H new ATOM 0 HD11 LEU A 37 10.033 -1.009 -4.229 1.00 0.68 H new ATOM 0 HD12 LEU A 37 10.320 -2.260 -5.461 1.00 0.68 H new ATOM 0 HD13 LEU A 37 10.277 -0.544 -5.929 1.00 0.68 H new ATOM 0 HD21 LEU A 37 7.925 0.210 -4.162 1.00 0.99 H new ATOM 0 HD22 LEU A 37 8.066 0.692 -5.870 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.613 -0.166 -5.305 1.00 0.99 H new ATOM 619 N ARG A 38 8.741 -3.503 -9.908 1.00 0.24 N ATOM 620 CA ARG A 38 8.178 -4.223 -11.044 1.00 0.27 C ATOM 621 C ARG A 38 8.195 -5.735 -10.811 1.00 0.25 C ATOM 622 O ARG A 38 9.238 -6.382 -10.933 1.00 0.36 O ATOM 623 CB ARG A 38 8.966 -3.892 -12.313 1.00 0.33 C ATOM 624 CG ARG A 38 8.461 -4.615 -13.550 1.00 1.01 C ATOM 625 CD ARG A 38 9.339 -4.341 -14.759 1.00 1.12 C ATOM 626 NE ARG A 38 9.098 -5.300 -15.836 1.00 1.86 N ATOM 627 CZ ARG A 38 9.677 -5.248 -17.036 1.00 2.37 C ATOM 628 NH1 ARG A 38 10.439 -4.213 -17.373 1.00 2.26 N ATOM 629 NH2 ARG A 38 9.458 -6.225 -17.908 1.00 3.39 N ATOM 0 H ARG A 38 9.547 -2.924 -10.141 1.00 0.24 H new ATOM 0 HA ARG A 38 7.141 -3.907 -11.160 1.00 0.27 H new ATOM 0 HB2 ARG A 38 8.922 -2.817 -12.488 1.00 0.33 H new ATOM 0 HB3 ARG A 38 10.014 -4.147 -12.156 1.00 0.33 H new ATOM 0 HG2 ARG A 38 8.431 -5.687 -13.358 1.00 1.01 H new ATOM 0 HG3 ARG A 38 7.439 -4.301 -13.764 1.00 1.01 H new ATOM 0 HD2 ARG A 38 9.151 -3.331 -15.123 1.00 1.12 H new ATOM 0 HD3 ARG A 38 10.387 -4.383 -14.463 1.00 1.12 H new ATOM 0 HE ARG A 38 8.442 -6.061 -15.657 1.00 1.86 H new ATOM 0 HH11 ARG A 38 10.585 -3.450 -16.712 1.00 2.26 H new ATOM 0 HH12 ARG A 38 10.878 -4.181 -18.293 1.00 2.26 H new ATOM 0 HH21 ARG A 38 8.852 -7.006 -17.657 1.00 3.39 H new ATOM 0 HH22 ARG A 38 9.896 -6.195 -18.829 1.00 3.39 H new ATOM 643 N GLY A 39 7.040 -6.283 -10.457 1.00 0.19 N ATOM 644 CA GLY A 39 6.904 -7.717 -10.327 1.00 0.23 C ATOM 645 C GLY A 39 7.351 -8.235 -8.976 1.00 0.22 C ATOM 646 O GLY A 39 8.000 -9.277 -8.894 1.00 0.30 O ATOM 0 H GLY A 39 6.191 -5.754 -10.257 1.00 0.19 H new ATOM 0 HA2 GLY A 39 5.862 -7.994 -10.489 1.00 0.23 H new ATOM 0 HA3 GLY A 39 7.488 -8.204 -11.108 1.00 0.23 H new ATOM 650 N ILE A 40 6.999 -7.524 -7.914 1.00 0.18 N ATOM 651 CA ILE A 40 7.349 -7.970 -6.562 1.00 0.19 C ATOM 652 C ILE A 40 6.134 -8.599 -5.887 1.00 0.20 C ATOM 653 O ILE A 40 5.033 -8.564 -6.433 1.00 0.23 O ATOM 654 CB ILE A 40 7.887 -6.828 -5.667 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.869 -5.692 -5.565 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.218 -6.311 -6.193 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.205 -4.647 -4.520 1.00 0.20 C ATOM 0 H ILE A 40 6.479 -6.648 -7.954 1.00 0.18 H new ATOM 0 HA ILE A 40 8.148 -8.702 -6.677 1.00 0.19 H new ATOM 0 HB ILE A 40 8.049 -7.230 -4.667 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.787 -5.205 -6.536 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.891 -6.115 -5.337 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.577 -5.509 -5.548 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.946 -7.123 -6.202 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.086 -5.931 -7.206 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.433 -3.878 -4.513 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.257 -5.118 -3.538 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.167 -4.193 -4.756 1.00 0.20 H new ATOM 669 N ASN A 41 6.328 -9.174 -4.709 1.00 0.25 N ATOM 670 CA ASN A 41 5.238 -9.813 -3.995 1.00 0.25 C ATOM 671 C ASN A 41 5.038 -9.124 -2.659 1.00 0.25 C ATOM 672 O ASN A 41 6.002 -8.866 -1.936 1.00 0.38 O ATOM 673 CB ASN A 41 5.531 -11.307 -3.792 1.00 0.39 C ATOM 674 CG ASN A 41 6.773 -11.556 -2.955 1.00 1.43 C ATOM 675 OD1 ASN A 41 6.699 -11.702 -1.737 1.00 2.29 O ATOM 676 ND2 ASN A 41 7.928 -11.604 -3.605 1.00 2.16 N ATOM 0 H ASN A 41 7.228 -9.210 -4.230 1.00 0.25 H new ATOM 0 HA ASN A 41 4.324 -9.725 -4.583 1.00 0.25 H new ATOM 0 HB2 ASN A 41 4.674 -11.778 -3.311 1.00 0.39 H new ATOM 0 HB3 ASN A 41 5.653 -11.784 -4.765 1.00 0.39 H new ATOM 0 HD21 ASN A 41 8.795 -11.767 -3.093 1.00 2.16 H new ATOM 0 HD22 ASN A 41 7.949 -11.478 -4.617 1.00 2.16 H new ATOM 683 N VAL A 42 3.801 -8.787 -2.339 1.00 0.19 N ATOM 684 CA VAL A 42 3.525 -8.121 -1.086 1.00 0.20 C ATOM 685 C VAL A 42 2.349 -8.763 -0.379 1.00 0.18 C ATOM 686 O VAL A 42 1.322 -9.062 -0.990 1.00 0.19 O ATOM 687 CB VAL A 42 3.246 -6.608 -1.271 1.00 0.25 C ATOM 688 CG1 VAL A 42 4.496 -5.883 -1.745 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.094 -6.378 -2.241 1.00 0.27 C ATOM 0 H VAL A 42 2.984 -8.962 -2.923 1.00 0.19 H new ATOM 0 HA VAL A 42 4.422 -8.229 -0.477 1.00 0.20 H new ATOM 0 HB VAL A 42 2.959 -6.200 -0.302 1.00 0.25 H new ATOM 0 HG11 VAL A 42 4.277 -4.822 -1.868 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.290 -6.006 -1.008 1.00 0.31 H new ATOM 0 HG13 VAL A 42 4.819 -6.300 -2.699 1.00 0.31 H new ATOM 0 HG21 VAL A 42 1.920 -5.308 -2.352 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.344 -6.808 -3.211 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.193 -6.854 -1.855 1.00 0.27 H new ATOM 699 N VAL A 43 2.519 -8.996 0.903 1.00 0.18 N ATOM 700 CA VAL A 43 1.434 -9.427 1.744 1.00 0.18 C ATOM 701 C VAL A 43 0.693 -8.195 2.226 1.00 0.19 C ATOM 702 O VAL A 43 1.254 -7.362 2.945 1.00 0.29 O ATOM 703 CB VAL A 43 1.936 -10.243 2.954 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.766 -10.773 3.768 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.838 -11.383 2.503 1.00 0.70 C ATOM 0 H VAL A 43 3.411 -8.892 1.387 1.00 0.18 H new ATOM 0 HA VAL A 43 0.776 -10.077 1.167 1.00 0.18 H new ATOM 0 HB VAL A 43 2.522 -9.579 3.590 1.00 0.23 H new ATOM 0 HG11 VAL A 43 1.142 -11.345 4.616 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.167 -9.938 4.131 1.00 0.79 H new ATOM 0 HG13 VAL A 43 0.149 -11.417 3.141 1.00 0.79 H new ATOM 0 HG21 VAL A 43 3.179 -11.943 3.374 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.282 -12.046 1.840 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.699 -10.977 1.972 1.00 0.70 H new ATOM 715 N TYR A 44 -0.538 -8.051 1.778 1.00 0.15 N ATOM 716 CA TYR A 44 -1.374 -6.949 2.196 1.00 0.19 C ATOM 717 C TYR A 44 -1.946 -7.249 3.568 1.00 0.21 C ATOM 718 O TYR A 44 -2.832 -8.095 3.709 1.00 0.29 O ATOM 719 CB TYR A 44 -2.496 -6.722 1.176 1.00 0.24 C ATOM 720 CG TYR A 44 -3.580 -5.778 1.646 1.00 0.29 C ATOM 721 CD1 TYR A 44 -3.349 -4.411 1.705 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.825 -6.252 2.030 1.00 0.38 C ATOM 723 CE1 TYR A 44 -4.332 -3.539 2.133 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.814 -5.386 2.460 1.00 0.44 C ATOM 725 CZ TYR A 44 -5.581 -4.053 2.509 1.00 0.42 C ATOM 726 OH TYR A 44 -6.547 -3.168 2.930 1.00 0.50 O ATOM 0 H TYR A 44 -0.982 -8.690 1.119 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.779 -6.038 2.252 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -2.062 -6.330 0.256 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.948 -7.683 0.930 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -2.385 -4.022 1.412 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -5.025 -7.313 1.993 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -4.141 -2.477 2.177 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.777 -5.775 2.758 1.00 0.44 H new ATOM 0 HH TYR A 44 -6.144 -2.286 3.070 1.00 0.50 H new ATOM 736 N THR A 45 -1.414 -6.586 4.581 1.00 0.23 N ATOM 737 CA THR A 45 -1.887 -6.779 5.936 1.00 0.29 C ATOM 738 C THR A 45 -2.886 -5.694 6.310 1.00 0.27 C ATOM 739 O THR A 45 -2.509 -4.542 6.532 1.00 0.30 O ATOM 740 CB THR A 45 -0.718 -6.789 6.940 1.00 0.39 C ATOM 741 OG1 THR A 45 0.159 -5.683 6.688 1.00 1.25 O ATOM 742 CG2 THR A 45 0.060 -8.094 6.847 1.00 1.13 C ATOM 0 H THR A 45 -0.655 -5.911 4.488 1.00 0.23 H new ATOM 0 HA THR A 45 -2.382 -7.749 5.980 1.00 0.29 H new ATOM 0 HB THR A 45 -1.130 -6.699 7.945 1.00 0.39 H new ATOM 0 HG1 THR A 45 -0.366 -4.909 6.396 1.00 1.25 H new ATOM 0 HG21 THR A 45 0.881 -8.080 7.564 1.00 1.13 H new ATOM 0 HG22 THR A 45 -0.603 -8.930 7.071 1.00 1.13 H new ATOM 0 HG23 THR A 45 0.460 -8.208 5.840 1.00 1.13 H new ATOM 750 N PRO A 46 -4.179 -6.038 6.349 1.00 0.30 N ATOM 751 CA PRO A 46 -5.228 -5.103 6.732 1.00 0.33 C ATOM 752 C PRO A 46 -5.168 -4.791 8.218 1.00 0.32 C ATOM 753 O PRO A 46 -4.941 -5.684 9.040 1.00 0.35 O ATOM 754 CB PRO A 46 -6.534 -5.839 6.397 1.00 0.40 C ATOM 755 CG PRO A 46 -6.129 -7.040 5.609 1.00 0.43 C ATOM 756 CD PRO A 46 -4.726 -7.360 6.028 1.00 0.38 C ATOM 0 HA PRO A 46 -5.134 -4.149 6.214 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -7.065 -6.127 7.304 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.206 -5.202 5.822 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.796 -7.879 5.808 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -6.180 -6.839 4.539 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.702 -8.028 6.889 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -4.166 -7.848 5.230 1.00 0.38 H new ATOM 764 N PRO A 47 -5.345 -3.514 8.578 1.00 0.33 N ATOM 765 CA PRO A 47 -5.392 -3.090 9.974 1.00 0.37 C ATOM 766 C PRO A 47 -6.450 -3.859 10.751 1.00 0.40 C ATOM 767 O PRO A 47 -7.504 -4.205 10.214 1.00 0.41 O ATOM 768 CB PRO A 47 -5.769 -1.608 9.889 1.00 0.37 C ATOM 769 CG PRO A 47 -5.348 -1.182 8.526 1.00 0.48 C ATOM 770 CD PRO A 47 -5.511 -2.387 7.645 1.00 0.35 C ATOM 0 HA PRO A 47 -4.450 -3.268 10.493 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.840 -1.464 10.035 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -5.261 -1.027 10.659 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.960 -0.353 8.170 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -4.314 -0.837 8.527 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -6.489 -2.404 7.164 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.764 -2.409 6.851 1.00 0.35 H new ATOM 778 N GLN A 48 -6.147 -4.123 12.020 1.00 0.52 N ATOM 779 CA GLN A 48 -7.018 -4.895 12.906 1.00 0.63 C ATOM 780 C GLN A 48 -8.438 -4.343 12.928 1.00 0.57 C ATOM 781 O GLN A 48 -9.393 -5.069 13.191 1.00 0.68 O ATOM 782 CB GLN A 48 -6.460 -4.875 14.328 1.00 0.83 C ATOM 783 CG GLN A 48 -6.382 -3.475 14.921 1.00 0.89 C ATOM 784 CD GLN A 48 -6.067 -3.489 16.402 1.00 1.22 C ATOM 785 OE1 GLN A 48 -5.370 -4.377 16.890 1.00 1.54 O ATOM 786 NE2 GLN A 48 -6.596 -2.521 17.130 1.00 1.92 N ATOM 0 H GLN A 48 -5.286 -3.806 12.466 1.00 0.52 H new ATOM 0 HA GLN A 48 -7.050 -5.915 12.523 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -7.086 -5.499 14.966 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.464 -5.318 14.327 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -5.617 -2.904 14.396 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -7.330 -2.962 14.759 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -7.168 -1.803 16.686 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -6.432 -2.492 18.136 1.00 1.92 H new ATOM 795 N SER A 49 -8.552 -3.051 12.655 1.00 0.49 N ATOM 796 CA SER A 49 -9.826 -2.355 12.638 1.00 0.51 C ATOM 797 C SER A 49 -10.746 -2.887 11.533 1.00 0.51 C ATOM 798 O SER A 49 -11.959 -2.675 11.568 1.00 0.59 O ATOM 799 CB SER A 49 -9.555 -0.869 12.429 1.00 0.56 C ATOM 800 OG SER A 49 -8.596 -0.391 13.358 1.00 1.58 O ATOM 0 H SER A 49 -7.755 -2.453 12.438 1.00 0.49 H new ATOM 0 HA SER A 49 -10.336 -2.521 13.587 1.00 0.51 H new ATOM 0 HB2 SER A 49 -9.198 -0.700 11.413 1.00 0.56 H new ATOM 0 HB3 SER A 49 -10.483 -0.308 12.538 1.00 0.56 H new ATOM 0 HG SER A 49 -8.438 0.564 13.203 1.00 1.58 H new ATOM 806 N PHE A 50 -10.158 -3.570 10.554 1.00 0.47 N ATOM 807 CA PHE A 50 -10.912 -4.126 9.434 1.00 0.51 C ATOM 808 C PHE A 50 -11.283 -5.580 9.689 1.00 0.58 C ATOM 809 O PHE A 50 -12.277 -6.081 9.163 1.00 0.67 O ATOM 810 CB PHE A 50 -10.099 -4.045 8.141 1.00 0.49 C ATOM 811 CG PHE A 50 -9.948 -2.661 7.589 1.00 0.50 C ATOM 812 CD1 PHE A 50 -9.079 -1.756 8.169 1.00 0.50 C ATOM 813 CD2 PHE A 50 -10.670 -2.272 6.475 1.00 0.69 C ATOM 814 CE1 PHE A 50 -8.932 -0.485 7.651 1.00 0.57 C ATOM 815 CE2 PHE A 50 -10.531 -1.002 5.951 1.00 0.76 C ATOM 816 CZ PHE A 50 -9.659 -0.108 6.540 1.00 0.65 C ATOM 0 H PHE A 50 -9.155 -3.752 10.514 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.823 -3.535 9.333 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -9.108 -4.460 8.323 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -10.574 -4.673 7.388 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.508 -2.047 9.038 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -11.350 -2.970 6.010 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -8.250 0.213 8.114 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -11.103 -0.709 5.083 1.00 0.76 H new ATOM 0 HZ PHE A 50 -9.546 0.885 6.132 1.00 0.65 H new ATOM 826 N GLN A 51 -10.453 -6.248 10.495 1.00 0.58 N ATOM 827 CA GLN A 51 -10.576 -7.684 10.749 1.00 0.67 C ATOM 828 C GLN A 51 -10.570 -8.473 9.445 1.00 0.65 C ATOM 829 O GLN A 51 -11.192 -9.527 9.338 1.00 0.88 O ATOM 830 CB GLN A 51 -11.828 -8.000 11.557 1.00 0.82 C ATOM 831 CG GLN A 51 -11.773 -7.493 12.988 1.00 0.94 C ATOM 832 CD GLN A 51 -12.932 -7.985 13.827 1.00 1.28 C ATOM 833 OE1 GLN A 51 -14.033 -8.214 13.324 1.00 1.77 O ATOM 834 NE2 GLN A 51 -12.686 -8.159 15.115 1.00 1.99 N ATOM 0 H GLN A 51 -9.677 -5.807 10.989 1.00 0.58 H new ATOM 0 HA GLN A 51 -9.710 -7.986 11.338 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -12.692 -7.562 11.058 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -11.980 -9.079 11.568 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -10.837 -7.812 13.446 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -11.770 -6.403 12.983 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -11.759 -7.957 15.489 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -13.423 -8.496 15.734 1.00 1.99 H new ATOM 843 N SER A 52 -9.858 -7.954 8.457 1.00 0.51 N ATOM 844 CA SER A 52 -9.770 -8.599 7.164 1.00 0.51 C ATOM 845 C SER A 52 -8.536 -9.495 7.108 1.00 0.43 C ATOM 846 O SER A 52 -7.515 -9.203 7.733 1.00 0.44 O ATOM 847 CB SER A 52 -9.716 -7.542 6.063 1.00 0.53 C ATOM 848 OG SER A 52 -10.802 -6.641 6.185 1.00 1.35 O ATOM 0 H SER A 52 -9.332 -7.083 8.530 1.00 0.51 H new ATOM 0 HA SER A 52 -10.653 -9.220 7.011 1.00 0.51 H new ATOM 0 HB2 SER A 52 -8.775 -6.996 6.121 1.00 0.53 H new ATOM 0 HB3 SER A 52 -9.744 -8.025 5.086 1.00 0.53 H new ATOM 0 HG SER A 52 -10.751 -5.969 5.473 1.00 1.35 H new ATOM 854 N ALA A 53 -8.642 -10.588 6.368 1.00 0.46 N ATOM 855 CA ALA A 53 -7.563 -11.558 6.267 1.00 0.43 C ATOM 856 C ALA A 53 -6.488 -11.074 5.300 1.00 0.36 C ATOM 857 O ALA A 53 -6.793 -10.652 4.184 1.00 0.38 O ATOM 858 CB ALA A 53 -8.116 -12.904 5.821 1.00 0.50 C ATOM 0 H ALA A 53 -9.472 -10.826 5.825 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.105 -11.672 7.249 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.302 -13.625 5.748 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -8.848 -13.256 6.548 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.594 -12.796 4.848 1.00 0.50 H new ATOM 864 N PRO A 54 -5.215 -11.111 5.731 1.00 0.33 N ATOM 865 CA PRO A 54 -4.078 -10.715 4.895 1.00 0.30 C ATOM 866 C PRO A 54 -4.014 -11.526 3.605 1.00 0.28 C ATOM 867 O PRO A 54 -4.204 -12.744 3.618 1.00 0.29 O ATOM 868 CB PRO A 54 -2.859 -11.006 5.775 1.00 0.35 C ATOM 869 CG PRO A 54 -3.385 -11.007 7.168 1.00 0.56 C ATOM 870 CD PRO A 54 -4.789 -11.533 7.075 1.00 0.39 C ATOM 0 HA PRO A 54 -4.143 -9.673 4.581 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.409 -11.966 5.522 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.087 -10.248 5.644 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -2.774 -11.635 7.816 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.371 -10.003 7.592 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -4.822 -12.617 7.186 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.429 -11.113 7.851 1.00 0.39 H new ATOM 878 N ARG A 55 -3.754 -10.850 2.499 1.00 0.27 N ATOM 879 CA ARG A 55 -3.724 -11.499 1.197 1.00 0.30 C ATOM 880 C ARG A 55 -2.522 -11.011 0.397 1.00 0.24 C ATOM 881 O ARG A 55 -2.177 -9.833 0.445 1.00 0.20 O ATOM 882 CB ARG A 55 -5.022 -11.209 0.443 1.00 0.41 C ATOM 883 CG ARG A 55 -5.159 -11.975 -0.859 1.00 0.52 C ATOM 884 CD ARG A 55 -6.472 -11.656 -1.554 1.00 0.82 C ATOM 885 NE ARG A 55 -7.627 -11.998 -0.729 1.00 1.64 N ATOM 886 CZ ARG A 55 -8.778 -11.330 -0.743 1.00 2.46 C ATOM 887 NH1 ARG A 55 -8.918 -10.246 -1.495 1.00 2.66 N ATOM 888 NH2 ARG A 55 -9.787 -11.734 0.013 1.00 3.34 N ATOM 0 H ARG A 55 -3.560 -9.849 2.476 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.633 -12.576 1.336 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.867 -11.452 1.087 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -5.078 -10.141 0.233 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -4.327 -11.727 -1.518 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -5.101 -13.045 -0.661 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.504 -10.594 -1.799 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -6.525 -12.202 -2.496 1.00 0.82 H new ATOM 0 HE ARG A 55 -7.547 -12.799 -0.103 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -8.140 -9.919 -2.068 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -9.803 -9.740 -1.500 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -9.682 -12.557 0.606 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.669 -11.222 0.002 1.00 3.34 H new ATOM 902 N VAL A 56 -1.884 -11.913 -0.330 1.00 0.27 N ATOM 903 CA VAL A 56 -0.687 -11.574 -1.086 1.00 0.25 C ATOM 904 C VAL A 56 -1.054 -11.098 -2.489 1.00 0.25 C ATOM 905 O VAL A 56 -1.901 -11.698 -3.156 1.00 0.31 O ATOM 906 CB VAL A 56 0.272 -12.785 -1.191 1.00 0.32 C ATOM 907 CG1 VAL A 56 1.569 -12.401 -1.893 1.00 1.22 C ATOM 908 CG2 VAL A 56 0.559 -13.365 0.187 1.00 1.18 C ATOM 0 H VAL A 56 -2.174 -12.887 -0.414 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.180 -10.770 -0.551 1.00 0.25 H new ATOM 0 HB VAL A 56 -0.220 -13.550 -1.791 1.00 0.32 H new ATOM 0 HG11 VAL A 56 2.222 -13.271 -1.952 1.00 1.22 H new ATOM 0 HG12 VAL A 56 1.347 -12.045 -2.899 1.00 1.22 H new ATOM 0 HG13 VAL A 56 2.067 -11.611 -1.331 1.00 1.22 H new ATOM 0 HG21 VAL A 56 1.235 -14.215 0.091 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.022 -12.603 0.813 1.00 1.18 H new ATOM 0 HG23 VAL A 56 -0.374 -13.693 0.645 1.00 1.18 H new ATOM 918 N TYR A 57 -0.415 -10.024 -2.931 1.00 0.20 N ATOM 919 CA TYR A 57 -0.657 -9.470 -4.255 1.00 0.20 C ATOM 920 C TYR A 57 0.668 -9.258 -4.966 1.00 0.19 C ATOM 921 O TYR A 57 1.676 -8.948 -4.327 1.00 0.21 O ATOM 922 CB TYR A 57 -1.410 -8.138 -4.164 1.00 0.20 C ATOM 923 CG TYR A 57 -2.855 -8.258 -3.726 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.860 -8.533 -4.648 1.00 0.36 C ATOM 925 CD2 TYR A 57 -3.216 -8.084 -2.397 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.184 -8.632 -4.255 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.536 -8.181 -1.994 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.517 -8.454 -2.927 1.00 0.46 C ATOM 929 OH TYR A 57 -6.834 -8.554 -2.527 1.00 0.57 O ATOM 0 H TYR A 57 0.281 -9.515 -2.386 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.271 -10.174 -4.817 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.885 -7.486 -3.465 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.379 -7.651 -5.139 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.603 -8.672 -5.688 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.452 -7.869 -1.664 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.952 -8.847 -4.983 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.798 -8.044 -0.955 1.00 0.45 H new ATOM 0 HH TYR A 57 -6.880 -8.546 -1.548 1.00 0.57 H new ATOM 939 N ARG A 58 0.681 -9.442 -6.276 1.00 0.23 N ATOM 940 CA ARG A 58 1.878 -9.167 -7.046 1.00 0.27 C ATOM 941 C ARG A 58 1.856 -7.728 -7.532 1.00 0.25 C ATOM 942 O ARG A 58 0.913 -7.298 -8.198 1.00 0.37 O ATOM 943 CB ARG A 58 2.019 -10.118 -8.237 1.00 0.40 C ATOM 944 CG ARG A 58 3.366 -9.990 -8.935 1.00 0.57 C ATOM 945 CD ARG A 58 3.482 -10.916 -10.135 1.00 1.11 C ATOM 946 NE ARG A 58 4.859 -11.003 -10.620 1.00 1.96 N ATOM 947 CZ ARG A 58 5.201 -11.053 -11.908 1.00 2.71 C ATOM 948 NH1 ARG A 58 4.268 -10.979 -12.850 1.00 2.90 N ATOM 949 NH2 ARG A 58 6.480 -11.165 -12.251 1.00 3.71 N ATOM 0 H ARG A 58 -0.114 -9.776 -6.821 1.00 0.23 H new ATOM 0 HA ARG A 58 2.738 -9.324 -6.395 1.00 0.27 H new ATOM 0 HB2 ARG A 58 1.888 -11.144 -7.895 1.00 0.40 H new ATOM 0 HB3 ARG A 58 1.223 -9.917 -8.954 1.00 0.40 H new ATOM 0 HG2 ARG A 58 3.509 -8.959 -9.259 1.00 0.57 H new ATOM 0 HG3 ARG A 58 4.163 -10.215 -8.226 1.00 0.57 H new ATOM 0 HD2 ARG A 58 3.129 -11.911 -9.863 1.00 1.11 H new ATOM 0 HD3 ARG A 58 2.836 -10.556 -10.936 1.00 1.11 H new ATOM 0 HE ARG A 58 5.607 -11.027 -9.927 1.00 1.96 H new ATOM 0 HH11 ARG A 58 3.287 -10.884 -12.589 1.00 2.90 H new ATOM 0 HH12 ARG A 58 4.533 -11.018 -13.834 1.00 2.90 H new ATOM 0 HH21 ARG A 58 7.199 -11.213 -11.529 1.00 3.71 H new ATOM 0 HH22 ARG A 58 6.742 -11.203 -13.236 1.00 3.71 H new ATOM 963 N VAL A 59 2.893 -6.989 -7.189 1.00 0.19 N ATOM 964 CA VAL A 59 2.995 -5.598 -7.577 1.00 0.17 C ATOM 965 C VAL A 59 3.426 -5.477 -9.023 1.00 0.17 C ATOM 966 O VAL A 59 4.517 -5.923 -9.395 1.00 0.18 O ATOM 967 CB VAL A 59 3.995 -4.837 -6.691 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.219 -3.425 -7.203 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.515 -4.798 -5.259 1.00 0.20 C ATOM 0 H VAL A 59 3.681 -7.332 -6.639 1.00 0.19 H new ATOM 0 HA VAL A 59 2.006 -5.157 -7.450 1.00 0.17 H new ATOM 0 HB VAL A 59 4.945 -5.370 -6.731 1.00 0.18 H new ATOM 0 HG11 VAL A 59 4.931 -2.912 -6.556 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.614 -3.464 -8.218 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.273 -2.884 -7.203 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.236 -4.255 -4.648 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.549 -4.295 -5.213 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.413 -5.815 -4.882 1.00 0.20 H new ATOM 979 N ASN A 60 2.553 -4.888 -9.827 1.00 0.17 N ATOM 980 CA ASN A 60 2.881 -4.559 -11.199 1.00 0.18 C ATOM 981 C ASN A 60 3.639 -3.248 -11.217 1.00 0.18 C ATOM 982 O ASN A 60 4.519 -3.031 -12.051 1.00 0.21 O ATOM 983 CB ASN A 60 1.614 -4.460 -12.055 1.00 0.23 C ATOM 984 CG ASN A 60 1.918 -4.100 -13.498 1.00 1.14 C ATOM 985 OD1 ASN A 60 1.900 -2.930 -13.881 1.00 2.02 O ATOM 986 ND2 ASN A 60 2.202 -5.105 -14.310 1.00 1.61 N ATOM 0 H ASN A 60 1.607 -4.628 -9.547 1.00 0.17 H new ATOM 0 HA ASN A 60 3.502 -5.349 -11.622 1.00 0.18 H new ATOM 0 HB2 ASN A 60 1.083 -5.411 -12.025 1.00 0.23 H new ATOM 0 HB3 ASN A 60 0.948 -3.710 -11.629 1.00 0.23 H new ATOM 0 HD21 ASN A 60 2.416 -4.924 -15.291 1.00 1.61 H new ATOM 0 HD22 ASN A 60 2.207 -6.061 -13.955 1.00 1.61 H new ATOM 993 N GLY A 61 3.295 -2.380 -10.272 1.00 0.18 N ATOM 994 CA GLY A 61 4.009 -1.136 -10.119 1.00 0.23 C ATOM 995 C GLY A 61 3.369 -0.235 -9.091 1.00 0.21 C ATOM 996 O GLY A 61 2.865 -0.705 -8.069 1.00 0.21 O ATOM 0 H GLY A 61 2.532 -2.521 -9.610 1.00 0.18 H new ATOM 0 HA2 GLY A 61 5.039 -1.343 -9.827 1.00 0.23 H new ATOM 0 HA3 GLY A 61 4.047 -0.620 -11.079 1.00 0.23 H new ATOM 1000 N LEU A 62 3.377 1.057 -9.358 1.00 0.25 N ATOM 1001 CA LEU A 62 2.817 2.025 -8.433 1.00 0.28 C ATOM 1002 C LEU A 62 1.828 2.936 -9.132 1.00 0.32 C ATOM 1003 O LEU A 62 1.844 3.076 -10.357 1.00 0.33 O ATOM 1004 CB LEU A 62 3.925 2.871 -7.808 1.00 0.32 C ATOM 1005 CG LEU A 62 4.881 2.125 -6.883 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.919 3.079 -6.337 1.00 0.42 C ATOM 1007 CD2 LEU A 62 4.124 1.468 -5.744 1.00 0.35 C ATOM 0 H LEU A 62 3.766 1.462 -10.210 1.00 0.25 H new ATOM 0 HA LEU A 62 2.297 1.472 -7.651 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.506 3.327 -8.610 1.00 0.32 H new ATOM 0 HB3 LEU A 62 3.464 3.684 -7.246 1.00 0.32 H new ATOM 0 HG LEU A 62 5.380 1.344 -7.457 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.598 2.539 -5.677 1.00 0.42 H new ATOM 0 HD12 LEU A 62 6.484 3.514 -7.162 1.00 0.42 H new ATOM 0 HD13 LEU A 62 5.425 3.873 -5.778 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.825 0.942 -5.097 1.00 0.35 H new ATOM 0 HD22 LEU A 62 3.600 2.231 -5.167 1.00 0.35 H new ATOM 0 HD23 LEU A 62 3.401 0.759 -6.148 1.00 0.35 H new ATOM 1019 N SER A 63 0.959 3.534 -8.346 1.00 0.39 N ATOM 1020 CA SER A 63 0.058 4.550 -8.840 1.00 0.48 C ATOM 1021 C SER A 63 0.662 5.927 -8.570 1.00 0.49 C ATOM 1022 O SER A 63 1.145 6.198 -7.470 1.00 0.60 O ATOM 1023 CB SER A 63 -1.315 4.394 -8.191 1.00 0.66 C ATOM 1024 OG SER A 63 -2.024 3.303 -8.757 1.00 1.57 O ATOM 0 H SER A 63 0.858 3.330 -7.352 1.00 0.39 H new ATOM 0 HA SER A 63 -0.078 4.440 -9.916 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.199 4.239 -7.118 1.00 0.66 H new ATOM 0 HB3 SER A 63 -1.889 5.312 -8.320 1.00 0.66 H new ATOM 0 HG SER A 63 -2.134 3.448 -9.720 1.00 1.57 H new ATOM 1030 N ARG A 64 0.623 6.784 -9.581 1.00 0.66 N ATOM 1031 CA ARG A 64 1.406 8.021 -9.595 1.00 0.78 C ATOM 1032 C ARG A 64 0.839 9.098 -8.669 1.00 0.61 C ATOM 1033 O ARG A 64 1.434 10.164 -8.516 1.00 0.71 O ATOM 1034 CB ARG A 64 1.487 8.550 -11.024 1.00 1.08 C ATOM 1035 CG ARG A 64 2.062 7.539 -12.003 1.00 1.53 C ATOM 1036 CD ARG A 64 3.556 7.339 -11.805 1.00 2.14 C ATOM 1037 NE ARG A 64 4.326 8.459 -12.347 1.00 2.62 N ATOM 1038 CZ ARG A 64 5.522 8.330 -12.922 1.00 3.27 C ATOM 1039 NH1 ARG A 64 6.156 7.164 -12.897 1.00 3.51 N ATOM 1040 NH2 ARG A 64 6.104 9.380 -13.490 1.00 4.02 N ATOM 0 H ARG A 64 0.051 6.646 -10.414 1.00 0.66 H new ATOM 0 HA ARG A 64 2.401 7.781 -9.220 1.00 0.78 H new ATOM 0 HB2 ARG A 64 0.490 8.840 -11.355 1.00 1.08 H new ATOM 0 HB3 ARG A 64 2.102 9.450 -11.038 1.00 1.08 H new ATOM 0 HG2 ARG A 64 1.549 6.585 -11.881 1.00 1.53 H new ATOM 0 HG3 ARG A 64 1.873 7.874 -13.023 1.00 1.53 H new ATOM 0 HD2 ARG A 64 3.771 7.229 -10.742 1.00 2.14 H new ATOM 0 HD3 ARG A 64 3.867 6.414 -12.290 1.00 2.14 H new ATOM 0 HE ARG A 64 3.924 9.394 -12.281 1.00 2.62 H new ATOM 0 HH11 ARG A 64 5.728 6.361 -12.436 1.00 3.51 H new ATOM 0 HH12 ARG A 64 7.071 7.071 -13.339 1.00 3.51 H new ATOM 0 HH21 ARG A 64 5.636 10.286 -13.487 1.00 4.02 H new ATOM 0 HH22 ARG A 64 7.019 9.280 -13.930 1.00 4.02 H new ATOM 1054 N ALA A 65 -0.311 8.835 -8.070 1.00 0.44 N ATOM 1055 CA ALA A 65 -0.923 9.794 -7.163 1.00 0.36 C ATOM 1056 C ALA A 65 -1.005 9.230 -5.745 1.00 0.33 C ATOM 1057 O ALA A 65 -1.470 8.107 -5.539 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.300 10.192 -7.670 1.00 0.47 C ATOM 0 H ALA A 65 -0.838 7.970 -8.194 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.296 10.685 -7.129 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.747 10.910 -6.983 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.207 10.644 -8.657 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -2.934 9.308 -7.734 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.517 10.000 -4.753 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.548 9.610 -3.332 1.00 0.37 C ATOM 1066 C PRO A 66 -1.964 9.362 -2.807 1.00 0.33 C ATOM 1067 O PRO A 66 -2.947 9.869 -3.351 1.00 0.34 O ATOM 1068 CB PRO A 66 0.072 10.814 -2.618 1.00 0.45 C ATOM 1069 CG PRO A 66 0.885 11.500 -3.658 1.00 0.52 C ATOM 1070 CD PRO A 66 0.141 11.305 -4.946 1.00 0.41 C ATOM 0 HA PRO A 66 -0.020 8.670 -3.168 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -0.697 11.475 -2.218 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.690 10.499 -1.777 1.00 0.45 H new ATOM 0 HG2 PRO A 66 1.001 12.559 -3.429 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.887 11.075 -3.716 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.583 12.101 -5.118 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.814 11.295 -5.804 1.00 0.41 H new ATOM 1078 N ALA A 67 -2.042 8.605 -1.712 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.312 8.132 -1.160 1.00 0.35 C ATOM 1080 C ALA A 67 -4.148 9.267 -0.580 1.00 0.32 C ATOM 1081 O ALA A 67 -5.317 9.080 -0.244 1.00 0.34 O ATOM 1082 CB ALA A 67 -3.053 7.076 -0.094 1.00 0.40 C ATOM 0 H ALA A 67 -1.225 8.302 -1.182 1.00 0.35 H new ATOM 0 HA ALA A 67 -3.883 7.696 -1.980 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -4.003 6.729 0.312 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.519 6.235 -0.537 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.452 7.507 0.707 1.00 0.40 H new ATOM 1088 N SER A 68 -3.542 10.436 -0.456 1.00 0.36 N ATOM 1089 CA SER A 68 -4.241 11.604 0.049 1.00 0.39 C ATOM 1090 C SER A 68 -4.918 12.361 -1.090 1.00 0.39 C ATOM 1091 O SER A 68 -5.638 13.333 -0.859 1.00 0.47 O ATOM 1092 CB SER A 68 -3.265 12.522 0.792 1.00 0.46 C ATOM 1093 OG SER A 68 -3.929 13.642 1.355 1.00 1.08 O ATOM 0 H SER A 68 -2.565 10.601 -0.699 1.00 0.36 H new ATOM 0 HA SER A 68 -5.012 11.272 0.745 1.00 0.39 H new ATOM 0 HB2 SER A 68 -2.765 11.960 1.581 1.00 0.46 H new ATOM 0 HB3 SER A 68 -2.491 12.864 0.105 1.00 0.46 H new ATOM 0 HG SER A 68 -4.667 13.913 0.770 1.00 1.08 H new ATOM 1099 N SER A 69 -4.687 11.913 -2.319 1.00 0.37 N ATOM 1100 CA SER A 69 -5.268 12.563 -3.484 1.00 0.41 C ATOM 1101 C SER A 69 -6.152 11.589 -4.262 1.00 0.43 C ATOM 1102 O SER A 69 -7.216 11.966 -4.756 1.00 0.58 O ATOM 1103 CB SER A 69 -4.160 13.122 -4.383 1.00 0.48 C ATOM 1104 OG SER A 69 -4.683 13.992 -5.374 1.00 1.15 O ATOM 0 H SER A 69 -4.103 11.104 -2.532 1.00 0.37 H new ATOM 0 HA SER A 69 -5.893 13.389 -3.145 1.00 0.41 H new ATOM 0 HB2 SER A 69 -3.432 13.658 -3.774 1.00 0.48 H new ATOM 0 HB3 SER A 69 -3.630 12.299 -4.863 1.00 0.48 H new ATOM 0 HG SER A 69 -3.951 14.333 -5.930 1.00 1.15 H new ATOM 1110 N GLU A 70 -5.717 10.340 -4.364 1.00 0.40 N ATOM 1111 CA GLU A 70 -6.487 9.328 -5.075 1.00 0.47 C ATOM 1112 C GLU A 70 -7.786 9.011 -4.353 1.00 0.45 C ATOM 1113 O GLU A 70 -7.790 8.666 -3.169 1.00 0.40 O ATOM 1114 CB GLU A 70 -5.665 8.061 -5.271 1.00 0.53 C ATOM 1115 CG GLU A 70 -4.688 8.166 -6.426 1.00 0.69 C ATOM 1116 CD GLU A 70 -5.385 8.260 -7.772 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -5.931 9.337 -8.085 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -5.389 7.264 -8.525 1.00 1.09 O ATOM 0 H GLU A 70 -4.840 10.005 -3.966 1.00 0.40 H new ATOM 0 HA GLU A 70 -6.738 9.734 -6.055 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -5.115 7.845 -4.355 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -6.337 7.221 -5.445 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.057 9.044 -6.285 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -4.030 7.297 -6.421 1.00 0.69 H new ATOM 1125 N THR A 71 -8.881 9.137 -5.084 1.00 0.57 N ATOM 1126 CA THR A 71 -10.209 8.955 -4.532 1.00 0.59 C ATOM 1127 C THR A 71 -10.910 7.746 -5.148 1.00 0.67 C ATOM 1128 O THR A 71 -10.562 7.303 -6.247 1.00 0.75 O ATOM 1129 CB THR A 71 -11.078 10.202 -4.786 1.00 0.67 C ATOM 1130 OG1 THR A 71 -11.041 10.551 -6.179 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.607 11.386 -3.957 1.00 0.67 C ATOM 0 H THR A 71 -8.872 9.369 -6.077 1.00 0.57 H new ATOM 0 HA THR A 71 -10.088 8.793 -3.461 1.00 0.59 H new ATOM 0 HB THR A 71 -12.099 9.961 -4.491 1.00 0.67 H new ATOM 0 HG1 THR A 71 -11.461 11.427 -6.308 1.00 0.93 H new ATOM 0 HG21 THR A 71 -11.242 12.248 -4.161 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.665 11.135 -2.898 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.576 11.625 -4.217 1.00 0.67 H new ATOM 1139 N PHE A 72 -11.887 7.217 -4.431 1.00 0.67 N ATOM 1140 CA PHE A 72 -12.780 6.208 -4.973 1.00 0.74 C ATOM 1141 C PHE A 72 -14.184 6.444 -4.432 1.00 0.76 C ATOM 1142 O PHE A 72 -14.351 6.901 -3.299 1.00 0.74 O ATOM 1143 CB PHE A 72 -12.286 4.789 -4.652 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.255 4.448 -3.189 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.195 4.857 -2.397 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -13.289 3.736 -2.604 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.165 4.559 -1.050 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.266 3.438 -1.257 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.191 3.786 -0.496 1.00 0.57 C ATOM 0 H PHE A 72 -12.083 7.473 -3.463 1.00 0.67 H new ATOM 0 HA PHE A 72 -12.797 6.294 -6.060 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -12.927 4.072 -5.164 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -11.283 4.668 -5.060 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.383 5.415 -2.839 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.122 3.410 -3.209 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.358 4.919 -0.430 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -14.103 2.927 -0.804 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.131 3.466 0.534 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.185 6.168 -5.252 1.00 0.83 N ATOM 1160 CA GLU A 73 -16.565 6.452 -4.889 1.00 0.86 C ATOM 1161 C GLU A 73 -17.100 5.392 -3.936 1.00 0.87 C ATOM 1162 O GLU A 73 -17.356 4.253 -4.331 1.00 0.89 O ATOM 1163 CB GLU A 73 -17.437 6.539 -6.142 1.00 0.97 C ATOM 1164 CG GLU A 73 -18.886 6.899 -5.859 1.00 1.02 C ATOM 1165 CD GLU A 73 -19.693 7.097 -7.124 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -19.857 6.122 -7.886 1.00 1.34 O ATOM 1167 OE2 GLU A 73 -20.164 8.228 -7.363 1.00 1.68 O ATOM 0 H GLU A 73 -15.068 5.747 -6.174 1.00 0.83 H new ATOM 0 HA GLU A 73 -16.596 7.414 -4.378 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -17.013 7.283 -6.817 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -17.405 5.582 -6.662 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -19.342 6.110 -5.261 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -18.920 7.811 -5.264 1.00 1.02 H new ATOM 1174 N HIS A 74 -17.258 5.779 -2.683 1.00 0.90 N ATOM 1175 CA HIS A 74 -17.764 4.892 -1.652 1.00 0.97 C ATOM 1176 C HIS A 74 -19.008 5.506 -1.017 1.00 1.09 C ATOM 1177 O HIS A 74 -18.942 6.587 -0.429 1.00 1.06 O ATOM 1178 CB HIS A 74 -16.674 4.645 -0.600 1.00 0.90 C ATOM 1179 CG HIS A 74 -17.094 3.747 0.525 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -17.071 2.380 0.401 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -17.536 4.071 1.762 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -17.497 1.906 1.559 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -17.792 2.895 2.417 1.00 1.20 N ATOM 0 H HIS A 74 -17.039 6.718 -2.352 1.00 0.90 H new ATOM 0 HA HIS A 74 -18.038 3.933 -2.092 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -15.804 4.210 -1.091 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -16.361 5.604 -0.187 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -17.663 5.068 2.158 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -17.595 0.855 1.786 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -18.139 2.791 3.371 1.00 1.20 H new ATOM 1191 N ASP A 75 -20.140 4.823 -1.170 1.00 1.29 N ATOM 1192 CA ASP A 75 -21.426 5.300 -0.650 1.00 1.48 C ATOM 1193 C ASP A 75 -21.799 6.648 -1.263 1.00 1.39 C ATOM 1194 O ASP A 75 -22.435 7.485 -0.622 1.00 1.46 O ATOM 1195 CB ASP A 75 -21.421 5.400 0.885 1.00 1.61 C ATOM 1196 CG ASP A 75 -21.571 4.051 1.567 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -22.208 3.145 0.980 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -21.040 3.881 2.686 1.00 2.80 O ATOM 0 H ASP A 75 -20.196 3.927 -1.655 1.00 1.29 H new ATOM 0 HA ASP A 75 -22.177 4.564 -0.936 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -20.490 5.864 1.211 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -22.232 6.055 1.204 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.388 6.852 -2.509 1.00 1.28 N ATOM 1204 CA GLY A 76 -21.715 8.076 -3.219 1.00 1.24 C ATOM 1205 C GLY A 76 -20.672 9.161 -3.033 1.00 1.14 C ATOM 1206 O GLY A 76 -20.607 10.110 -3.815 1.00 1.18 O ATOM 0 H GLY A 76 -20.830 6.187 -3.044 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -21.819 7.857 -4.282 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -22.681 8.444 -2.873 1.00 1.24 H new ATOM 1210 N LYS A 77 -19.847 9.019 -2.005 1.00 1.07 N ATOM 1211 CA LYS A 77 -18.817 10.004 -1.712 1.00 1.00 C ATOM 1212 C LYS A 77 -17.466 9.500 -2.197 1.00 0.89 C ATOM 1213 O LYS A 77 -17.086 8.364 -1.918 1.00 0.88 O ATOM 1214 CB LYS A 77 -18.743 10.276 -0.206 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.067 10.672 0.426 1.00 1.37 C ATOM 1216 CD LYS A 77 -20.580 12.004 -0.097 1.00 1.58 C ATOM 1217 CE LYS A 77 -21.834 12.433 0.648 1.00 1.77 C ATOM 1218 NZ LYS A 77 -22.376 13.725 0.153 1.00 2.07 N ATOM 0 H LYS A 77 -19.872 8.230 -1.359 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.072 10.930 -2.228 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -18.368 9.383 0.294 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.017 11.070 -0.028 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -20.808 9.897 0.228 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -19.948 10.731 1.508 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -19.808 12.765 0.015 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -20.795 11.922 -1.162 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -22.596 11.660 0.546 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -21.609 12.520 1.711 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -23.230 13.973 0.693 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -21.661 14.471 0.274 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -22.617 13.637 -0.855 1.00 2.07 H new ATOM 1232 N LYS A 78 -16.743 10.329 -2.928 1.00 0.90 N ATOM 1233 CA LYS A 78 -15.407 9.958 -3.358 1.00 0.83 C ATOM 1234 C LYS A 78 -14.398 10.292 -2.272 1.00 0.73 C ATOM 1235 O LYS A 78 -13.941 11.430 -2.153 1.00 0.81 O ATOM 1236 CB LYS A 78 -15.025 10.653 -4.661 1.00 0.92 C ATOM 1237 CG LYS A 78 -15.899 10.267 -5.842 1.00 1.01 C ATOM 1238 CD LYS A 78 -15.288 10.734 -7.151 1.00 1.23 C ATOM 1239 CE LYS A 78 -13.976 10.015 -7.429 1.00 1.77 C ATOM 1240 NZ LYS A 78 -13.293 10.540 -8.637 1.00 2.36 N ATOM 0 H LYS A 78 -17.053 11.252 -3.233 1.00 0.90 H new ATOM 0 HA LYS A 78 -15.400 8.883 -3.539 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -15.082 11.732 -4.516 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -13.987 10.417 -4.897 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -16.029 9.185 -5.864 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -16.890 10.705 -5.723 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -15.987 10.552 -7.968 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -15.116 11.810 -7.113 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -13.317 10.119 -6.567 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -14.168 8.950 -7.556 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -12.405 10.021 -8.787 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -13.910 10.417 -9.465 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -13.085 11.551 -8.507 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.073 9.296 -1.472 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.097 9.453 -0.410 1.00 0.54 C ATOM 1256 C VAL A 79 -11.727 9.011 -0.901 1.00 0.48 C ATOM 1257 O VAL A 79 -11.623 8.136 -1.763 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.489 8.641 0.845 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -14.779 9.177 1.450 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.631 7.161 0.515 1.00 0.56 C ATOM 0 H VAL A 79 -14.474 8.361 -1.538 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.068 10.507 -0.133 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.691 8.751 1.579 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.038 8.592 2.332 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.642 10.220 1.734 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.583 9.103 0.717 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -13.907 6.612 1.415 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.404 7.030 -0.242 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.683 6.780 0.135 1.00 0.56 H new ATOM 1270 N THR A 80 -10.680 9.631 -0.381 1.00 0.42 N ATOM 1271 CA THR A 80 -9.335 9.245 -0.749 1.00 0.37 C ATOM 1272 C THR A 80 -8.961 7.950 -0.046 1.00 0.33 C ATOM 1273 O THR A 80 -9.577 7.603 0.967 1.00 0.32 O ATOM 1274 CB THR A 80 -8.301 10.339 -0.408 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.319 10.627 0.996 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.580 11.614 -1.186 1.00 0.46 C ATOM 0 H THR A 80 -10.738 10.396 0.291 1.00 0.42 H new ATOM 0 HA THR A 80 -9.319 9.102 -1.830 1.00 0.37 H new ATOM 0 HB THR A 80 -7.317 9.963 -0.688 1.00 0.34 H new ATOM 0 HG1 THR A 80 -7.657 11.321 1.196 1.00 0.35 H new ATOM 0 HG21 THR A 80 -7.837 12.368 -0.927 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.529 11.407 -2.255 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.574 11.983 -0.935 1.00 0.46 H new ATOM 1284 N ILE A 81 -7.980 7.236 -0.581 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.551 5.966 0.004 1.00 0.31 C ATOM 1286 C ILE A 81 -7.266 6.148 1.495 1.00 0.27 C ATOM 1287 O ILE A 81 -7.740 5.377 2.339 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.280 5.424 -0.693 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.387 5.559 -2.219 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.037 3.969 -0.304 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -7.551 4.808 -2.832 1.00 0.40 C ATOM 0 H ILE A 81 -7.465 7.511 -1.417 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.358 5.247 -0.137 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.432 6.022 -0.359 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -6.477 6.615 -2.473 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.461 5.201 -2.669 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.139 3.604 -0.803 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.906 3.898 0.776 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -6.892 3.364 -0.606 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -7.552 4.957 -3.912 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.454 3.745 -2.613 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.486 5.181 -2.413 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.529 7.209 1.807 1.00 0.26 N ATOM 1304 CA ALA A 82 -6.177 7.536 3.182 1.00 0.25 C ATOM 1305 C ALA A 82 -7.420 7.779 4.035 1.00 0.24 C ATOM 1306 O ALA A 82 -7.480 7.348 5.183 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.276 8.759 3.213 1.00 0.26 C ATOM 0 H ALA A 82 -6.161 7.863 1.116 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.644 6.684 3.603 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -5.019 8.995 4.245 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.366 8.555 2.650 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.797 9.606 2.766 1.00 0.26 H new ATOM 1313 N SER A 83 -8.408 8.462 3.465 1.00 0.26 N ATOM 1314 CA SER A 83 -9.624 8.805 4.198 1.00 0.28 C ATOM 1315 C SER A 83 -10.430 7.558 4.548 1.00 0.26 C ATOM 1316 O SER A 83 -11.084 7.508 5.590 1.00 0.27 O ATOM 1317 CB SER A 83 -10.491 9.773 3.388 1.00 0.34 C ATOM 1318 OG SER A 83 -9.798 10.980 3.122 1.00 1.16 O ATOM 0 H SER A 83 -8.391 8.789 2.499 1.00 0.26 H new ATOM 0 HA SER A 83 -9.321 9.291 5.125 1.00 0.28 H new ATOM 0 HB2 SER A 83 -10.784 9.304 2.449 1.00 0.34 H new ATOM 0 HB3 SER A 83 -11.408 9.990 3.936 1.00 0.34 H new ATOM 0 HG SER A 83 -9.236 10.866 2.327 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.375 6.552 3.683 1.00 0.27 N ATOM 1325 CA TYR A 84 -11.109 5.315 3.914 1.00 0.29 C ATOM 1326 C TYR A 84 -10.546 4.578 5.122 1.00 0.27 C ATOM 1327 O TYR A 84 -11.294 4.174 6.014 1.00 0.29 O ATOM 1328 CB TYR A 84 -11.059 4.417 2.678 1.00 0.34 C ATOM 1329 CG TYR A 84 -11.833 3.124 2.838 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -13.222 3.120 2.851 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -11.172 1.909 2.968 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -13.930 1.941 2.993 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -11.872 0.727 3.108 1.00 0.71 C ATOM 1334 CZ TYR A 84 -13.260 0.755 3.139 1.00 0.78 C ATOM 1335 OH TYR A 84 -13.949 -0.429 3.254 1.00 0.95 O ATOM 0 H TYR A 84 -9.832 6.569 2.819 1.00 0.27 H new ATOM 0 HA TYR A 84 -12.150 5.570 4.114 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.456 4.966 1.824 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -10.019 4.183 2.451 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.757 4.052 2.749 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -10.092 1.889 2.959 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -15.010 1.955 2.989 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -11.344 -0.212 3.193 1.00 0.71 H new ATOM 0 HH TYR A 84 -13.314 -1.169 3.349 1.00 0.95 H new ATOM 1345 N PHE A 85 -9.228 4.421 5.155 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.572 3.777 6.286 1.00 0.27 C ATOM 1347 C PHE A 85 -8.716 4.634 7.537 1.00 0.28 C ATOM 1348 O PHE A 85 -8.979 4.123 8.625 1.00 0.31 O ATOM 1349 CB PHE A 85 -7.093 3.519 5.980 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.869 2.414 4.985 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -6.972 2.652 3.624 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -6.556 1.135 5.414 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.768 1.635 2.710 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -6.351 0.113 4.506 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.459 0.364 3.153 1.00 0.29 C ATOM 0 H PHE A 85 -8.596 4.729 4.416 1.00 0.27 H new ATOM 0 HA PHE A 85 -9.055 2.816 6.463 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.644 4.436 5.599 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.576 3.272 6.907 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.215 3.644 3.273 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -6.471 0.933 6.472 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -6.850 1.834 1.652 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -6.107 -0.880 4.854 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.302 -0.433 2.441 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.560 5.942 7.361 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.700 6.907 8.449 1.00 0.29 C ATOM 1367 C HIS A 86 -10.059 6.761 9.121 1.00 0.31 C ATOM 1368 O HIS A 86 -10.156 6.631 10.342 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.549 8.322 7.890 1.00 0.30 C ATOM 1370 CG HIS A 86 -8.427 9.391 8.933 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -9.299 10.453 8.976 1.00 0.56 N ATOM 1372 CD2 HIS A 86 -7.517 9.523 9.928 1.00 0.74 C ATOM 1373 CE1 HIS A 86 -8.902 11.205 9.990 1.00 0.75 C ATOM 1374 NE2 HIS A 86 -7.828 10.678 10.594 1.00 0.85 N ATOM 0 H HIS A 86 -8.333 6.364 6.461 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.925 6.719 9.192 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.668 8.354 7.250 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -9.410 8.544 7.259 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -6.704 8.848 10.152 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -9.381 12.124 10.292 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -7.335 11.065 11.399 1.00 0.85 H new ATOM 1382 N SER A 87 -11.100 6.763 8.304 1.00 0.29 N ATOM 1383 CA SER A 87 -12.468 6.662 8.793 1.00 0.35 C ATOM 1384 C SER A 87 -12.754 5.285 9.397 1.00 0.41 C ATOM 1385 O SER A 87 -13.638 5.139 10.239 1.00 0.48 O ATOM 1386 CB SER A 87 -13.455 6.957 7.663 1.00 0.36 C ATOM 1387 OG SER A 87 -13.238 8.253 7.127 1.00 1.31 O ATOM 0 H SER A 87 -11.023 6.834 7.289 1.00 0.29 H new ATOM 0 HA SER A 87 -12.592 7.402 9.583 1.00 0.35 H new ATOM 0 HB2 SER A 87 -13.347 6.211 6.876 1.00 0.36 H new ATOM 0 HB3 SER A 87 -14.476 6.880 8.037 1.00 0.36 H new ATOM 0 HG SER A 87 -12.463 8.234 6.528 1.00 1.31 H new ATOM 1393 N ARG A 88 -12.016 4.270 8.966 1.00 0.40 N ATOM 1394 CA ARG A 88 -12.183 2.926 9.516 1.00 0.46 C ATOM 1395 C ARG A 88 -11.297 2.725 10.744 1.00 0.48 C ATOM 1396 O ARG A 88 -11.061 1.591 11.166 1.00 0.57 O ATOM 1397 CB ARG A 88 -11.872 1.854 8.467 1.00 0.49 C ATOM 1398 CG ARG A 88 -13.095 1.284 7.756 1.00 1.05 C ATOM 1399 CD ARG A 88 -13.729 2.270 6.782 1.00 1.21 C ATOM 1400 NE ARG A 88 -14.593 3.254 7.440 1.00 1.92 N ATOM 1401 CZ ARG A 88 -15.697 3.756 6.879 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -16.086 3.331 5.679 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -16.424 4.667 7.517 1.00 3.55 N ATOM 0 H ARG A 88 -11.301 4.348 8.243 1.00 0.40 H new ATOM 0 HA ARG A 88 -13.226 2.824 9.815 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -11.200 2.279 7.721 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -11.336 1.037 8.950 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -12.807 0.382 7.216 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -13.836 0.988 8.499 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -12.941 2.793 6.239 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -14.312 1.719 6.045 1.00 1.21 H new ATOM 0 HE ARG A 88 -14.338 3.572 8.375 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -15.541 2.622 5.188 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -16.929 3.714 5.251 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -16.141 4.989 8.443 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -17.265 5.045 7.081 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.813 3.838 11.299 1.00 0.45 N ATOM 1418 CA ASN A 89 -10.009 3.842 12.525 1.00 0.47 C ATOM 1419 C ASN A 89 -8.606 3.292 12.273 1.00 0.48 C ATOM 1420 O ASN A 89 -8.169 2.323 12.897 1.00 0.67 O ATOM 1421 CB ASN A 89 -10.718 3.071 13.652 1.00 0.55 C ATOM 1422 CG ASN A 89 -10.124 3.344 15.023 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -10.486 4.315 15.685 1.00 1.45 O ATOM 1424 ND2 ASN A 89 -9.228 2.479 15.470 1.00 1.98 N ATOM 0 H ASN A 89 -10.968 4.768 10.909 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.900 4.878 12.847 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -11.774 3.340 13.660 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -10.662 2.002 13.444 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -8.813 2.606 16.393 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -8.953 1.685 14.892 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.919 3.910 11.321 1.00 0.39 N ATOM 1432 CA TYR A 90 -6.497 3.681 11.105 1.00 0.38 C ATOM 1433 C TYR A 90 -5.905 4.828 10.294 1.00 0.32 C ATOM 1434 O TYR A 90 -6.054 4.880 9.075 1.00 0.36 O ATOM 1435 CB TYR A 90 -6.226 2.349 10.396 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.751 2.124 10.130 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.874 1.824 11.167 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -4.231 2.238 8.847 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -2.523 1.647 10.932 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.884 2.056 8.604 1.00 0.46 C ATOM 1441 CZ TYR A 90 -2.034 1.762 9.648 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.687 1.596 9.411 1.00 0.52 O ATOM 0 H TYR A 90 -8.332 4.584 10.677 1.00 0.39 H new ATOM 0 HA TYR A 90 -6.021 3.634 12.084 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.611 1.531 11.006 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.770 2.326 9.452 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -4.255 1.728 12.173 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.892 2.473 8.026 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.855 1.420 11.749 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -2.498 2.144 7.599 1.00 0.46 H new ATOM 0 HH TYR A 90 -0.334 2.391 8.961 1.00 0.52 H new ATOM 1452 N PRO A 91 -5.241 5.773 10.962 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.611 6.903 10.292 1.00 0.33 C ATOM 1454 C PRO A 91 -3.262 6.526 9.678 1.00 0.33 C ATOM 1455 O PRO A 91 -2.319 6.171 10.392 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.439 7.917 11.420 1.00 0.40 C ATOM 1457 CG PRO A 91 -4.284 7.095 12.656 1.00 0.44 C ATOM 1458 CD PRO A 91 -5.049 5.815 12.423 1.00 0.41 C ATOM 0 HA PRO A 91 -5.201 7.278 9.456 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.566 8.549 11.254 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -5.302 8.579 11.491 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -3.232 6.887 12.853 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.673 7.626 13.525 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.492 4.947 12.777 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -6.003 5.819 12.951 1.00 0.41 H new ATOM 1466 N LEU A 92 -3.188 6.574 8.352 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.939 6.320 7.642 1.00 0.35 C ATOM 1468 C LEU A 92 -0.880 7.328 8.071 1.00 0.38 C ATOM 1469 O LEU A 92 -1.158 8.522 8.187 1.00 0.40 O ATOM 1470 CB LEU A 92 -2.159 6.403 6.130 1.00 0.36 C ATOM 1471 CG LEU A 92 -3.087 5.338 5.547 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.290 5.558 4.058 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.526 3.949 5.800 1.00 0.45 C ATOM 0 H LEU A 92 -3.980 6.787 7.746 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.595 5.316 7.890 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.566 7.386 5.892 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.191 6.330 5.634 1.00 0.36 H new ATOM 0 HG LEU A 92 -4.054 5.421 6.043 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -3.954 4.789 3.664 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.734 6.540 3.892 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.328 5.504 3.548 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -3.199 3.202 5.378 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.546 3.861 5.330 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -2.429 3.786 6.873 1.00 0.45 H new ATOM 1485 N LYS A 93 0.330 6.839 8.296 1.00 0.41 N ATOM 1486 CA LYS A 93 1.395 7.661 8.852 1.00 0.46 C ATOM 1487 C LYS A 93 2.036 8.530 7.780 1.00 0.44 C ATOM 1488 O LYS A 93 2.521 9.627 8.068 1.00 0.47 O ATOM 1489 CB LYS A 93 2.451 6.778 9.519 1.00 0.54 C ATOM 1490 CG LYS A 93 1.900 5.917 10.648 1.00 0.73 C ATOM 1491 CD LYS A 93 2.987 5.077 11.301 1.00 0.75 C ATOM 1492 CE LYS A 93 3.611 4.100 10.315 1.00 1.45 C ATOM 1493 NZ LYS A 93 2.615 3.133 9.780 1.00 1.99 N ATOM 0 H LYS A 93 0.600 5.875 8.102 1.00 0.41 H new ATOM 0 HA LYS A 93 0.957 8.319 9.602 1.00 0.46 H new ATOM 0 HB2 LYS A 93 2.900 6.131 8.766 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.247 7.411 9.911 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.435 6.556 11.398 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.120 5.263 10.259 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.760 5.731 11.704 1.00 0.75 H new ATOM 0 HD3 LYS A 93 2.566 4.526 12.142 1.00 0.75 H new ATOM 0 HE2 LYS A 93 4.057 4.654 9.489 1.00 1.45 H new ATOM 0 HE3 LYS A 93 4.417 3.555 10.806 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 3.067 2.531 9.063 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 2.257 2.539 10.555 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 1.824 3.652 9.348 1.00 1.99 H new ATOM 1507 N PHE A 94 2.052 8.032 6.548 1.00 0.42 N ATOM 1508 CA PHE A 94 2.600 8.783 5.422 1.00 0.43 C ATOM 1509 C PHE A 94 1.926 8.386 4.107 1.00 0.42 C ATOM 1510 O PHE A 94 2.548 7.780 3.233 1.00 0.45 O ATOM 1511 CB PHE A 94 4.121 8.595 5.320 1.00 0.49 C ATOM 1512 CG PHE A 94 4.638 7.357 6.003 1.00 0.44 C ATOM 1513 CD1 PHE A 94 4.315 6.098 5.526 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.446 7.458 7.127 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.785 4.964 6.157 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.920 6.325 7.760 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.588 5.077 7.275 1.00 0.56 C ATOM 0 H PHE A 94 1.691 7.110 6.303 1.00 0.42 H new ATOM 0 HA PHE A 94 2.395 9.838 5.604 1.00 0.43 H new ATOM 0 HB2 PHE A 94 4.401 8.559 4.267 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.613 9.467 5.752 1.00 0.49 H new ATOM 0 HD1 PHE A 94 3.689 6.002 4.651 1.00 0.53 H new ATOM 0 HD2 PHE A 94 5.707 8.433 7.511 1.00 0.46 H new ATOM 0 HE1 PHE A 94 4.525 3.987 5.776 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.549 6.416 8.633 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.955 4.190 7.769 1.00 0.56 H new ATOM 1527 N PRO A 95 0.638 8.734 3.945 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.113 8.449 2.716 1.00 0.53 C ATOM 1529 C PRO A 95 0.343 9.310 1.536 1.00 0.52 C ATOM 1530 O PRO A 95 -0.091 9.111 0.398 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.557 8.766 3.095 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.463 9.747 4.212 1.00 0.63 C ATOM 1533 CD PRO A 95 -0.189 9.432 4.948 1.00 0.54 C ATOM 0 HA PRO A 95 0.033 7.422 2.381 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.103 9.184 2.249 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.089 7.867 3.405 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.449 10.768 3.832 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -2.325 9.665 4.874 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.299 10.338 5.307 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.376 8.804 5.819 1.00 0.54 H new ATOM 1541 N GLN A 96 1.215 10.271 1.818 1.00 0.48 N ATOM 1542 CA GLN A 96 1.741 11.168 0.794 1.00 0.50 C ATOM 1543 C GLN A 96 2.896 10.518 0.036 1.00 0.54 C ATOM 1544 O GLN A 96 3.529 11.152 -0.808 1.00 0.62 O ATOM 1545 CB GLN A 96 2.217 12.487 1.416 1.00 0.53 C ATOM 1546 CG GLN A 96 1.100 13.458 1.782 1.00 1.09 C ATOM 1547 CD GLN A 96 0.194 12.944 2.882 1.00 1.86 C ATOM 1548 OE1 GLN A 96 -0.811 12.292 2.617 1.00 2.61 O ATOM 1549 NE2 GLN A 96 0.547 13.230 4.125 1.00 2.52 N ATOM 0 H GLN A 96 1.576 10.450 2.755 1.00 0.48 H new ATOM 0 HA GLN A 96 0.931 11.375 0.094 1.00 0.50 H new ATOM 0 HB2 GLN A 96 2.794 12.263 2.313 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.894 12.979 0.717 1.00 0.53 H new ATOM 0 HG2 GLN A 96 1.540 14.405 2.096 1.00 1.09 H new ATOM 0 HG3 GLN A 96 0.502 13.663 0.894 1.00 1.09 H new ATOM 0 HE21 GLN A 96 1.391 13.775 4.303 1.00 2.52 H new ATOM 0 HE22 GLN A 96 -0.024 12.905 4.905 1.00 2.52 H new ATOM 1558 N LEU A 97 3.163 9.254 0.336 1.00 0.54 N ATOM 1559 CA LEU A 97 4.271 8.540 -0.283 1.00 0.67 C ATOM 1560 C LEU A 97 3.779 7.609 -1.393 1.00 0.73 C ATOM 1561 O LEU A 97 4.306 6.505 -1.557 1.00 1.41 O ATOM 1562 CB LEU A 97 5.040 7.741 0.774 1.00 0.84 C ATOM 1563 CG LEU A 97 5.639 8.562 1.919 1.00 1.07 C ATOM 1564 CD1 LEU A 97 6.497 7.675 2.806 1.00 1.56 C ATOM 1565 CD2 LEU A 97 6.454 9.728 1.383 1.00 1.50 C ATOM 0 H LEU A 97 2.627 8.702 1.005 1.00 0.54 H new ATOM 0 HA LEU A 97 4.939 9.276 -0.731 1.00 0.67 H new ATOM 0 HB2 LEU A 97 4.369 6.995 1.199 1.00 0.84 H new ATOM 0 HB3 LEU A 97 5.846 7.200 0.279 1.00 0.84 H new ATOM 0 HG LEU A 97 4.822 8.969 2.515 1.00 1.07 H new ATOM 0 HD11 LEU A 97 6.918 8.270 3.617 1.00 1.56 H new ATOM 0 HD12 LEU A 97 5.884 6.875 3.222 1.00 1.56 H new ATOM 0 HD13 LEU A 97 7.305 7.243 2.216 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.869 10.295 2.216 1.00 1.50 H new ATOM 0 HD22 LEU A 97 7.266 9.349 0.762 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.813 10.376 0.786 1.00 1.50 H new ATOM 1577 N HIS A 98 2.773 8.076 -2.140 1.00 0.47 N ATOM 1578 CA HIS A 98 2.216 7.350 -3.294 1.00 0.43 C ATOM 1579 C HIS A 98 1.435 6.099 -2.888 1.00 0.49 C ATOM 1580 O HIS A 98 1.341 5.756 -1.707 1.00 0.89 O ATOM 1581 CB HIS A 98 3.318 6.993 -4.297 1.00 0.49 C ATOM 1582 CG HIS A 98 3.748 8.149 -5.152 1.00 0.44 C ATOM 1583 ND1 HIS A 98 4.569 9.141 -4.669 1.00 0.45 N ATOM 1584 CD2 HIS A 98 3.427 8.428 -6.436 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.723 9.996 -5.666 1.00 0.45 C ATOM 1586 NE2 HIS A 98 4.052 9.607 -6.754 1.00 0.51 N ATOM 0 H HIS A 98 2.318 8.972 -1.963 1.00 0.47 H new ATOM 0 HA HIS A 98 1.506 8.025 -3.771 1.00 0.43 H new ATOM 0 HB2 HIS A 98 4.183 6.612 -3.754 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.965 6.187 -4.941 1.00 0.49 H new ATOM 0 HD2 HIS A 98 2.799 7.836 -7.086 1.00 0.56 H new ATOM 0 HE1 HIS A 98 5.317 10.896 -5.608 1.00 0.45 H new ATOM 0 HE2 HIS A 98 4.012 10.094 -7.650 1.00 0.51 H new ATOM 1594 N CYS A 99 0.859 5.435 -3.886 1.00 0.34 N ATOM 1595 CA CYS A 99 0.016 4.269 -3.657 1.00 0.36 C ATOM 1596 C CYS A 99 0.568 3.060 -4.396 1.00 0.34 C ATOM 1597 O CYS A 99 1.215 3.199 -5.437 1.00 0.43 O ATOM 1598 CB CYS A 99 -1.407 4.541 -4.144 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.162 6.028 -3.457 1.00 0.55 S ATOM 0 H CYS A 99 0.963 5.689 -4.868 1.00 0.34 H new ATOM 0 HA CYS A 99 0.004 4.065 -2.586 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -1.396 4.624 -5.231 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.032 3.683 -3.896 1.00 0.44 H new ATOM 0 HG CYS A 99 -2.037 7.008 -4.302 1.00 0.55 H new ATOM 1605 N LEU A 100 0.291 1.876 -3.870 1.00 0.25 N ATOM 1606 CA LEU A 100 0.750 0.642 -4.484 1.00 0.24 C ATOM 1607 C LEU A 100 -0.230 0.208 -5.569 1.00 0.23 C ATOM 1608 O LEU A 100 -1.439 0.198 -5.344 1.00 0.31 O ATOM 1609 CB LEU A 100 0.879 -0.450 -3.418 1.00 0.30 C ATOM 1610 CG LEU A 100 1.496 -1.759 -3.901 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.925 -1.530 -4.367 1.00 0.32 C ATOM 1612 CD2 LEU A 100 1.457 -2.804 -2.800 1.00 0.47 C ATOM 0 H LEU A 100 -0.252 1.745 -3.016 1.00 0.25 H new ATOM 0 HA LEU A 100 1.727 0.808 -4.939 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.482 -0.064 -2.596 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.111 -0.661 -3.015 1.00 0.30 H new ATOM 0 HG LEU A 100 0.911 -2.127 -4.744 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.352 -2.473 -4.709 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.930 -0.812 -5.187 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.519 -1.141 -3.540 1.00 0.32 H new ATOM 0 HD21 LEU A 100 1.901 -3.731 -3.162 1.00 0.47 H new ATOM 0 HD22 LEU A 100 2.019 -2.445 -1.938 1.00 0.47 H new ATOM 0 HD23 LEU A 100 0.423 -2.987 -2.508 1.00 0.47 H new ATOM 1624 N ASN A 101 0.289 -0.140 -6.741 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.558 -0.552 -7.853 1.00 0.22 C ATOM 1626 C ASN A 101 -0.512 -2.064 -8.009 1.00 0.22 C ATOM 1627 O ASN A 101 0.419 -2.621 -8.610 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.117 0.126 -9.153 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.131 -0.034 -10.266 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -1.104 -1.003 -11.024 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -2.028 0.934 -10.383 1.00 1.06 N ATOM 0 H ASN A 101 1.288 -0.145 -6.945 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.582 -0.246 -7.638 1.00 0.22 H new ATOM 0 HB2 ASN A 101 0.048 1.187 -8.967 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.837 -0.294 -9.472 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -2.730 0.892 -11.122 1.00 1.06 H new ATOM 0 HD22 ASN A 101 -2.017 1.721 -9.734 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.505 -2.725 -7.433 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.595 -4.175 -7.474 1.00 0.32 C ATOM 1640 C VAL A 102 -2.970 -4.615 -7.948 1.00 0.38 C ATOM 1641 O VAL A 102 -3.757 -3.804 -8.443 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.313 -4.802 -6.092 1.00 0.35 C ATOM 1643 CG1 VAL A 102 0.156 -4.685 -5.740 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.168 -4.149 -5.019 1.00 0.32 C ATOM 0 H VAL A 102 -2.267 -2.273 -6.927 1.00 0.25 H new ATOM 0 HA VAL A 102 -0.837 -4.522 -8.176 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.573 -5.859 -6.142 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.333 -5.133 -4.762 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.752 -5.204 -6.490 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.441 -3.633 -5.714 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -1.953 -4.607 -4.054 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -1.944 -3.083 -4.974 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.222 -4.288 -5.259 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.255 -5.901 -7.795 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.540 -6.425 -8.198 1.00 0.60 C ATOM 1656 C GLY A 103 -4.544 -6.843 -9.651 1.00 0.69 C ATOM 1657 O GLY A 103 -4.333 -8.010 -9.973 1.00 0.82 O ATOM 0 H GLY A 103 -2.616 -6.590 -7.398 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -4.796 -7.280 -7.573 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.308 -5.669 -8.035 1.00 0.60 H new ATOM 1661 N SER A 104 -4.771 -5.880 -10.525 1.00 0.69 N ATOM 1662 CA SER A 104 -4.783 -6.122 -11.953 1.00 0.79 C ATOM 1663 C SER A 104 -4.388 -4.851 -12.689 1.00 0.82 C ATOM 1664 O SER A 104 -4.528 -3.747 -12.165 1.00 0.75 O ATOM 1665 CB SER A 104 -6.176 -6.585 -12.397 1.00 0.95 C ATOM 1666 OG SER A 104 -6.254 -6.723 -13.808 1.00 1.63 O ATOM 0 H SER A 104 -4.952 -4.911 -10.264 1.00 0.69 H new ATOM 0 HA SER A 104 -4.066 -6.907 -12.191 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.412 -7.538 -11.924 1.00 0.95 H new ATOM 0 HB3 SER A 104 -6.924 -5.868 -12.059 1.00 0.95 H new ATOM 0 HG SER A 104 -7.153 -7.021 -14.058 1.00 1.63 H new ATOM 1672 N SER A 105 -3.873 -5.015 -13.900 1.00 0.99 N ATOM 1673 CA SER A 105 -3.539 -3.881 -14.741 1.00 1.12 C ATOM 1674 C SER A 105 -4.802 -3.269 -15.332 1.00 1.19 C ATOM 1675 O SER A 105 -4.794 -2.136 -15.811 1.00 1.31 O ATOM 1676 CB SER A 105 -2.598 -4.316 -15.853 1.00 1.36 C ATOM 1677 OG SER A 105 -1.359 -4.762 -15.322 1.00 1.63 O ATOM 0 H SER A 105 -3.679 -5.924 -14.319 1.00 0.99 H new ATOM 0 HA SER A 105 -3.041 -3.128 -14.130 1.00 1.12 H new ATOM 0 HB2 SER A 105 -3.059 -5.116 -16.433 1.00 1.36 H new ATOM 0 HB3 SER A 105 -2.427 -3.484 -16.537 1.00 1.36 H new ATOM 0 HG SER A 105 -0.770 -5.039 -16.055 1.00 1.63 H new ATOM 1683 N ILE A 106 -5.880 -4.040 -15.309 1.00 1.22 N ATOM 1684 CA ILE A 106 -7.172 -3.556 -15.751 1.00 1.35 C ATOM 1685 C ILE A 106 -7.964 -3.081 -14.541 1.00 1.21 C ATOM 1686 O ILE A 106 -8.521 -1.983 -14.531 1.00 1.38 O ATOM 1687 CB ILE A 106 -7.961 -4.663 -16.482 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -7.046 -5.398 -17.467 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -9.151 -4.060 -17.210 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -7.718 -6.543 -18.200 1.00 2.18 C ATOM 0 H ILE A 106 -5.881 -5.008 -14.986 1.00 1.22 H new ATOM 0 HA ILE A 106 -7.016 -2.733 -16.448 1.00 1.35 H new ATOM 0 HB ILE A 106 -8.329 -5.381 -15.749 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -6.669 -4.683 -18.199 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -6.183 -5.784 -16.925 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -9.702 -4.849 -17.723 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -9.806 -3.568 -16.491 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -8.800 -3.330 -17.939 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -7.003 -7.011 -18.877 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -8.070 -7.280 -17.478 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -8.564 -6.162 -18.772 1.00 2.18 H new ATOM 1702 N LYS A 107 -7.981 -3.919 -13.516 1.00 0.98 N ATOM 1703 CA LYS A 107 -8.618 -3.588 -12.251 1.00 0.86 C ATOM 1704 C LYS A 107 -7.549 -3.192 -11.236 1.00 0.69 C ATOM 1705 O LYS A 107 -7.073 -4.022 -10.459 1.00 0.64 O ATOM 1706 CB LYS A 107 -9.422 -4.795 -11.747 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.123 -4.580 -10.411 1.00 0.89 C ATOM 1708 CD LYS A 107 -10.756 -5.871 -9.913 1.00 1.01 C ATOM 1709 CE LYS A 107 -11.348 -5.721 -8.518 1.00 1.00 C ATOM 1710 NZ LYS A 107 -12.515 -4.801 -8.493 1.00 1.41 N ATOM 0 H LYS A 107 -7.555 -4.845 -13.537 1.00 0.98 H new ATOM 0 HA LYS A 107 -9.301 -2.750 -12.388 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -10.170 -5.055 -12.496 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -8.751 -5.649 -11.656 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.407 -4.215 -9.675 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -10.890 -3.813 -10.518 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -11.538 -6.181 -10.606 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -10.006 -6.662 -9.904 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -11.653 -6.700 -8.149 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -10.581 -5.349 -7.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -12.882 -4.732 -7.522 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -12.221 -3.858 -8.820 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -13.260 -5.168 -9.120 1.00 1.41 H new ATOM 1724 N SER A 108 -7.168 -1.926 -11.252 1.00 0.64 N ATOM 1725 CA SER A 108 -6.120 -1.442 -10.370 1.00 0.52 C ATOM 1726 C SER A 108 -6.674 -1.159 -8.982 1.00 0.44 C ATOM 1727 O SER A 108 -7.713 -0.510 -8.835 1.00 0.46 O ATOM 1728 CB SER A 108 -5.473 -0.180 -10.954 1.00 0.55 C ATOM 1729 OG SER A 108 -6.458 0.713 -11.453 1.00 1.25 O ATOM 0 H SER A 108 -7.568 -1.216 -11.865 1.00 0.64 H new ATOM 0 HA SER A 108 -5.359 -2.217 -10.284 1.00 0.52 H new ATOM 0 HB2 SER A 108 -4.881 0.318 -10.186 1.00 0.55 H new ATOM 0 HB3 SER A 108 -4.788 -0.456 -11.756 1.00 0.55 H new ATOM 0 HG SER A 108 -6.021 1.511 -11.818 1.00 1.25 H new ATOM 1735 N ILE A 109 -5.996 -1.673 -7.973 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.335 -1.361 -6.600 1.00 0.33 C ATOM 1737 C ILE A 109 -5.164 -0.646 -5.948 1.00 0.30 C ATOM 1738 O ILE A 109 -4.017 -1.093 -6.049 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.713 -2.620 -5.783 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.608 -3.676 -5.864 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.037 -3.188 -6.274 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.805 -4.845 -4.924 1.00 0.44 C ATOM 0 H ILE A 109 -5.206 -2.309 -8.080 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.214 -0.716 -6.610 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.824 -2.331 -4.738 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.551 -4.050 -6.886 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.651 -3.203 -5.644 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.292 -4.073 -5.691 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.820 -2.439 -6.157 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -7.949 -3.459 -7.326 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -4.981 -5.549 -5.041 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.831 -4.485 -3.896 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.745 -5.345 -5.157 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.445 0.483 -5.322 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.406 1.283 -4.706 1.00 0.29 C ATOM 1756 C LEU A 110 -4.368 1.016 -3.217 1.00 0.25 C ATOM 1757 O LEU A 110 -5.354 1.213 -2.513 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.637 2.776 -4.967 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.261 3.274 -6.368 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.132 2.644 -7.446 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -4.363 4.786 -6.427 1.00 1.32 C ATOM 0 H LEU A 110 -6.386 0.865 -5.228 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.449 1.005 -5.147 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.690 2.997 -4.794 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.067 3.346 -4.234 1.00 0.35 H new ATOM 0 HG LEU A 110 -3.231 2.973 -6.562 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -4.833 3.023 -8.423 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -5.011 1.561 -7.425 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -6.177 2.896 -7.263 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.094 5.130 -7.426 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -5.385 5.091 -6.201 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -3.683 5.225 -5.697 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.224 0.574 -2.741 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.081 0.194 -1.350 1.00 0.23 C ATOM 1775 C LEU A 111 -1.933 0.963 -0.724 1.00 0.24 C ATOM 1776 O LEU A 111 -0.952 1.280 -1.401 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.832 -1.316 -1.244 1.00 0.22 C ATOM 1778 CG LEU A 111 -3.943 -2.202 -1.817 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.552 -3.670 -1.732 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.253 -1.960 -1.081 1.00 0.28 C ATOM 0 H LEU A 111 -2.376 0.468 -3.298 1.00 0.23 H new ATOM 0 HA LEU A 111 -3.999 0.435 -0.815 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -1.900 -1.551 -1.758 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.690 -1.572 -0.194 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.082 -1.941 -2.866 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.353 -4.284 -2.143 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.638 -3.837 -2.302 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.385 -3.942 -0.690 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.030 -2.598 -1.502 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -5.125 -2.193 -0.024 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.543 -0.915 -1.189 1.00 0.28 H new ATOM 1792 N PRO A 112 -2.045 1.302 0.566 1.00 0.29 N ATOM 1793 CA PRO A 112 -0.958 1.938 1.292 1.00 0.32 C ATOM 1794 C PRO A 112 0.219 0.994 1.405 1.00 0.28 C ATOM 1795 O PRO A 112 0.174 0.023 2.160 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.537 2.246 2.678 1.00 0.41 C ATOM 1797 CG PRO A 112 -3.012 2.025 2.563 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.227 1.083 1.411 1.00 0.36 C ATOM 0 HA PRO A 112 -0.595 2.836 0.792 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -1.102 1.595 3.437 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.317 3.272 2.974 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -3.412 1.604 3.485 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.531 2.968 2.392 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.295 0.048 1.746 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -4.150 1.307 0.876 1.00 0.36 H new ATOM 1806 N ILE A 113 1.265 1.268 0.632 1.00 0.27 N ATOM 1807 CA ILE A 113 2.488 0.478 0.679 1.00 0.28 C ATOM 1808 C ILE A 113 3.037 0.463 2.111 1.00 0.26 C ATOM 1809 O ILE A 113 3.811 -0.413 2.492 1.00 0.29 O ATOM 1810 CB ILE A 113 3.540 1.003 -0.336 1.00 0.35 C ATOM 1811 CG1 ILE A 113 4.741 0.065 -0.410 1.00 0.47 C ATOM 1812 CG2 ILE A 113 3.988 2.412 0.023 1.00 0.36 C ATOM 1813 CD1 ILE A 113 5.699 0.398 -1.535 1.00 0.69 C ATOM 0 H ILE A 113 1.289 2.037 -0.038 1.00 0.27 H new ATOM 0 HA ILE A 113 2.258 -0.547 0.387 1.00 0.28 H new ATOM 0 HB ILE A 113 3.068 1.034 -1.318 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.279 0.101 0.537 1.00 0.47 H new ATOM 0 HG13 ILE A 113 4.386 -0.958 -0.536 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.724 2.756 -0.703 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.128 3.081 0.012 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.433 2.410 1.018 1.00 0.36 H new ATOM 0 HD11 ILE A 113 6.529 -0.309 -1.528 1.00 0.69 H new ATOM 0 HD12 ILE A 113 5.176 0.334 -2.489 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.083 1.409 -1.399 1.00 0.69 H new ATOM 1825 N GLU A 114 2.605 1.451 2.891 1.00 0.27 N ATOM 1826 CA GLU A 114 2.873 1.520 4.323 1.00 0.34 C ATOM 1827 C GLU A 114 2.488 0.220 5.049 1.00 0.33 C ATOM 1828 O GLU A 114 3.204 -0.230 5.944 1.00 0.42 O ATOM 1829 CB GLU A 114 2.093 2.703 4.913 1.00 0.38 C ATOM 1830 CG GLU A 114 1.872 2.604 6.411 1.00 0.45 C ATOM 1831 CD GLU A 114 1.258 3.849 7.021 1.00 1.16 C ATOM 1832 OE1 GLU A 114 1.397 4.942 6.439 1.00 1.77 O ATOM 1833 OE2 GLU A 114 0.654 3.738 8.110 1.00 1.74 O ATOM 0 H GLU A 114 2.053 2.234 2.541 1.00 0.27 H new ATOM 0 HA GLU A 114 3.945 1.659 4.466 1.00 0.34 H new ATOM 0 HB2 GLU A 114 2.630 3.626 4.695 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.125 2.772 4.416 1.00 0.38 H new ATOM 0 HG2 GLU A 114 1.225 1.752 6.618 1.00 0.45 H new ATOM 0 HG3 GLU A 114 2.827 2.405 6.898 1.00 0.45 H new ATOM 1840 N LEU A 115 1.376 -0.388 4.649 1.00 0.27 N ATOM 1841 CA LEU A 115 0.901 -1.612 5.294 1.00 0.31 C ATOM 1842 C LEU A 115 0.987 -2.797 4.343 1.00 0.26 C ATOM 1843 O LEU A 115 0.361 -3.840 4.550 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.525 -1.426 5.843 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.543 -0.777 4.895 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -1.981 -1.741 3.806 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -2.748 -0.277 5.676 1.00 0.80 C ATOM 0 H LEU A 115 0.787 -0.057 3.885 1.00 0.27 H new ATOM 0 HA LEU A 115 1.552 -1.826 6.141 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -0.908 -2.403 6.138 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -0.466 -0.821 6.747 1.00 0.44 H new ATOM 0 HG LEU A 115 -1.057 0.071 4.413 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -2.702 -1.249 3.153 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -1.114 -2.049 3.222 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -2.443 -2.618 4.260 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -3.461 0.181 4.991 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -3.223 -1.114 6.188 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -2.425 0.461 6.410 1.00 0.80 H new ATOM 1859 N CYS A 116 1.770 -2.623 3.298 1.00 0.23 N ATOM 1860 CA CYS A 116 2.114 -3.717 2.419 1.00 0.24 C ATOM 1861 C CYS A 116 3.495 -4.210 2.814 1.00 0.24 C ATOM 1862 O CYS A 116 4.311 -3.434 3.313 1.00 0.37 O ATOM 1863 CB CYS A 116 2.090 -3.262 0.962 1.00 0.25 C ATOM 1864 SG CYS A 116 0.531 -2.492 0.468 1.00 0.28 S ATOM 0 H CYS A 116 2.182 -1.727 3.037 1.00 0.23 H new ATOM 0 HA CYS A 116 1.389 -4.525 2.514 1.00 0.24 H new ATOM 0 HB2 CYS A 116 2.903 -2.554 0.798 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.281 -4.121 0.319 1.00 0.25 H new ATOM 0 HG CYS A 116 0.254 -1.514 1.279 1.00 0.28 H new ATOM 1870 N SER A 117 3.759 -5.484 2.634 1.00 0.22 N ATOM 1871 CA SER A 117 5.004 -6.041 3.117 1.00 0.25 C ATOM 1872 C SER A 117 5.590 -7.063 2.146 1.00 0.27 C ATOM 1873 O SER A 117 4.895 -7.946 1.661 1.00 0.35 O ATOM 1874 CB SER A 117 4.746 -6.655 4.489 1.00 0.27 C ATOM 1875 OG SER A 117 5.806 -7.488 4.902 1.00 0.34 O ATOM 0 H SER A 117 3.141 -6.146 2.165 1.00 0.22 H new ATOM 0 HA SER A 117 5.748 -5.249 3.198 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.603 -5.860 5.221 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.822 -7.232 4.460 1.00 0.27 H new ATOM 0 HG SER A 117 5.870 -7.475 5.880 1.00 0.34 H new ATOM 1881 N ILE A 118 6.877 -6.922 1.869 1.00 0.23 N ATOM 1882 CA ILE A 118 7.583 -7.835 0.986 1.00 0.22 C ATOM 1883 C ILE A 118 7.913 -9.123 1.727 1.00 0.24 C ATOM 1884 O ILE A 118 8.447 -9.084 2.836 1.00 0.28 O ATOM 1885 CB ILE A 118 8.885 -7.189 0.461 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.558 -5.964 -0.395 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.718 -8.188 -0.324 1.00 0.25 C ATOM 1888 CD1 ILE A 118 9.765 -5.358 -1.080 1.00 0.50 C ATOM 0 H ILE A 118 7.459 -6.175 2.248 1.00 0.23 H new ATOM 0 HA ILE A 118 6.938 -8.060 0.137 1.00 0.22 H new ATOM 0 HB ILE A 118 9.477 -6.869 1.319 1.00 0.24 H new ATOM 0 HG12 ILE A 118 7.826 -6.246 -1.152 1.00 0.41 H new ATOM 0 HG13 ILE A 118 8.091 -5.207 0.234 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.627 -7.703 -0.680 1.00 0.25 H new ATOM 0 HG22 ILE A 118 9.982 -9.027 0.320 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.143 -8.551 -1.176 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.454 -4.494 -1.668 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.490 -5.044 -0.329 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.221 -6.099 -1.737 1.00 0.50 H new ATOM 1900 N GLU A 119 7.594 -10.258 1.128 1.00 0.35 N ATOM 1901 CA GLU A 119 7.847 -11.532 1.782 1.00 0.49 C ATOM 1902 C GLU A 119 9.135 -12.133 1.239 1.00 0.52 C ATOM 1903 O GLU A 119 9.265 -12.358 0.034 1.00 0.63 O ATOM 1904 CB GLU A 119 6.661 -12.478 1.572 1.00 0.72 C ATOM 1905 CG GLU A 119 6.281 -13.281 2.812 1.00 1.01 C ATOM 1906 CD GLU A 119 7.155 -14.498 3.038 1.00 1.60 C ATOM 1907 OE1 GLU A 119 8.307 -14.325 3.486 1.00 2.30 O ATOM 1908 OE2 GLU A 119 6.711 -15.626 2.755 1.00 1.77 O ATOM 0 H GLU A 119 7.166 -10.325 0.205 1.00 0.35 H new ATOM 0 HA GLU A 119 7.963 -11.377 2.855 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.798 -11.896 1.250 1.00 0.72 H new ATOM 0 HB3 GLU A 119 6.899 -13.169 0.763 1.00 0.72 H new ATOM 0 HG2 GLU A 119 6.341 -12.633 3.687 1.00 1.01 H new ATOM 0 HG3 GLU A 119 5.243 -13.601 2.723 1.00 1.01 H new ATOM 1915 N GLU A 120 10.085 -12.401 2.125 1.00 0.67 N ATOM 1916 CA GLU A 120 11.399 -12.866 1.704 1.00 0.86 C ATOM 1917 C GLU A 120 11.364 -14.344 1.334 1.00 1.01 C ATOM 1918 O GLU A 120 12.296 -14.862 0.723 1.00 1.25 O ATOM 1919 CB GLU A 120 12.449 -12.588 2.789 1.00 1.16 C ATOM 1920 CG GLU A 120 12.156 -13.236 4.134 1.00 1.77 C ATOM 1921 CD GLU A 120 12.839 -14.577 4.320 1.00 2.40 C ATOM 1922 OE1 GLU A 120 14.014 -14.607 4.742 1.00 2.91 O ATOM 1923 OE2 GLU A 120 12.212 -15.614 4.022 1.00 2.64 O ATOM 0 H GLU A 120 9.971 -12.305 3.134 1.00 0.67 H new ATOM 0 HA GLU A 120 11.685 -12.310 0.811 1.00 0.86 H new ATOM 0 HB2 GLU A 120 13.419 -12.938 2.436 1.00 1.16 H new ATOM 0 HB3 GLU A 120 12.531 -11.510 2.930 1.00 1.16 H new ATOM 0 HG2 GLU A 120 12.473 -12.562 4.930 1.00 1.77 H new ATOM 0 HG3 GLU A 120 11.079 -13.368 4.238 1.00 1.77 H new