USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1214 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 170:sc= -0.544 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.581 (180deg=-0.772) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -40:sc= 1.11 USER MOD Single : A 10 GLN : amide:sc= -3.78 K(o=-3.8,f=-9.9!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 29 ASN : amide:sc= -7.69! C(o=-7.7!,f=-14!) USER MOD Single : A 31 GLN : amide:sc= -14.4! C(o=-14!,f=-24!) USER MOD Single : A 33 CYS SG : rot 120:sc= -7.48! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.645 K(o=-0.65,f=-3.7!) USER MOD Single : A 41 HIS : no HE2:sc= -4! C(o=-4!,f=-5.8!) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 0.00252 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -4.33! C(o=-4.3!,f=-3.8!) USER MOD Single : A 56 TYR OH : rot -12:sc= 0.362 USER MOD Single : A 61 TYR OH : rot 26:sc= 0.375 USER MOD Single : A 62 THR OG1 : rot 44:sc= 0.0283 USER MOD Single : A 64 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-4.3!) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00391 USER MOD Single : A 67 SER OG : rot -140:sc= 0.806 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.34) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 166:sc= -0.549 (180deg=-1.09) USER MOD Single : B 1 MET N :NH3+ 171:sc= -0.562 (180deg=-0.751) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot -21:sc= 1.07 USER MOD Single : B 10 GLN : amide:sc= -3.95 K(o=-3.9,f=-10!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : B 29 ASN : amide:sc= -7.87! C(o=-7.9!,f=-14!) USER MOD Single : B 31 GLN : amide:sc= -14.6! C(o=-15!,f=-24!) USER MOD Single : B 33 CYS SG : rot 120:sc= -7.62! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -0.62 K(o=-0.62,f=-3.8!) USER MOD Single : B 41 HIS : no HE2:sc= -4.06! C(o=-4.1!,f=-6!) USER MOD Single : B 46 LYS NZ :NH3+ 158:sc= 0.00104 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -4.29! C(o=-4.3!,f=-3.8!) USER MOD Single : B 56 TYR OH : rot -14:sc= 0.363 USER MOD Single : B 61 TYR OH : rot 27:sc= 0.37 USER MOD Single : B 62 THR OG1 : rot 42:sc= -0.0122! USER MOD Single : B 64 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-4.3!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -136:sc= 0.943 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -0.833 X(o=-0.83,f=-0.5) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl -156:sc= 0 (180deg=-0.00583) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.446 17.497 2.825 1.00 42.32 N ATOM 2 CA MET A 1 -0.004 17.172 3.008 1.00 40.89 C ATOM 3 C MET A 1 0.137 16.017 4.001 1.00 34.75 C ATOM 4 O MET A 1 1.210 15.483 4.199 1.00 33.97 O ATOM 5 CB MET A 1 0.733 18.405 3.552 1.00 48.45 C ATOM 6 CG MET A 1 0.452 18.563 5.053 1.00 56.13 C ATOM 7 SD MET A 1 -0.112 20.250 5.386 1.00 64.91 S ATOM 8 CE MET A 1 -1.785 20.064 4.721 1.00 63.43 C ATOM 0 H1 MET A 1 -1.538 18.355 2.245 1.00 42.32 H new ATOM 0 H2 MET A 1 -1.923 16.705 2.349 1.00 42.32 H new ATOM 0 H3 MET A 1 -1.886 17.658 3.753 1.00 42.32 H new ATOM 0 HA MET A 1 0.427 16.883 2.050 1.00 40.89 H new ATOM 0 HB2 MET A 1 1.805 18.302 3.383 1.00 48.45 H new ATOM 0 HB3 MET A 1 0.410 19.298 3.017 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.305 17.846 5.370 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.354 18.349 5.627 1.00 56.13 H new ATOM 0 HE1 MET A 1 -2.380 20.939 4.982 1.00 63.43 H new ATOM 0 HE2 MET A 1 -1.737 19.969 3.636 1.00 63.43 H new ATOM 0 HE3 MET A 1 -2.247 19.172 5.143 1.00 63.43 H new ATOM 20 N ILE A 2 -0.934 15.639 4.643 1.00 28.59 N ATOM 21 CA ILE A 2 -0.842 14.536 5.636 1.00 24.58 C ATOM 22 C ILE A 2 -0.059 15.064 6.836 1.00 19.29 C ATOM 23 O ILE A 2 1.123 14.828 6.977 1.00 19.53 O ATOM 24 CB ILE A 2 -0.116 13.346 5.016 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.605 13.135 3.583 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.408 12.089 5.832 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.543 12.602 2.738 1.00 33.80 C ATOM 0 H ILE A 2 -1.862 16.044 4.523 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.834 14.207 5.945 1.00 24.58 H new ATOM 0 HB ILE A 2 0.956 13.543 5.012 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.439 12.433 3.570 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -0.972 14.074 3.169 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.111 11.239 5.389 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.062 12.231 6.856 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.481 11.898 5.835 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.201 12.449 1.714 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.363 13.320 2.743 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.889 11.654 3.150 1.00 33.80 H new ATOM 39 N LYS A 3 -0.712 15.815 7.675 1.00 18.14 N ATOM 40 CA LYS A 3 -0.021 16.419 8.848 1.00 16.66 C ATOM 41 C LYS A 3 0.529 15.353 9.787 1.00 14.94 C ATOM 42 O LYS A 3 0.108 14.213 9.783 1.00 13.94 O ATOM 43 CB LYS A 3 -1.000 17.313 9.611 1.00 16.94 C ATOM 44 CG LYS A 3 -0.860 18.756 9.124 1.00 17.85 C ATOM 45 CD LYS A 3 -0.596 19.674 10.319 1.00 19.63 C ATOM 46 CE LYS A 3 -1.703 20.726 10.409 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.721 20.293 11.406 1.00 32.72 N ATOM 0 H LYS A 3 -1.704 16.039 7.599 1.00 18.14 H new ATOM 0 HA LYS A 3 0.818 17.008 8.478 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.021 16.964 9.459 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.800 17.258 10.681 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.043 18.831 8.406 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.768 19.066 8.607 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -0.559 19.090 11.239 1.00 19.63 H new ATOM 0 HD3 LYS A 3 0.374 20.160 10.211 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.282 21.689 10.699 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -2.169 20.863 9.433 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -3.473 21.008 11.467 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -3.131 19.384 11.111 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.271 20.184 12.337 1.00 32.72 H new ATOM 61 N VAL A 4 1.478 15.739 10.596 1.00 12.42 N ATOM 62 CA VAL A 4 2.095 14.792 11.557 1.00 12.99 C ATOM 63 C VAL A 4 2.791 15.588 12.663 1.00 14.26 C ATOM 64 O VAL A 4 2.965 16.786 12.565 1.00 13.80 O ATOM 65 CB VAL A 4 3.124 13.926 10.828 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.784 12.961 11.815 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.439 13.131 9.714 1.00 10.41 C ATOM 0 H VAL A 4 1.855 16.686 10.629 1.00 12.42 H new ATOM 0 HA VAL A 4 1.326 14.152 11.991 1.00 12.99 H new ATOM 0 HB VAL A 4 3.886 14.572 10.392 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.516 12.347 11.290 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.283 13.529 12.600 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.024 12.319 12.259 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.177 12.516 9.199 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.670 12.490 10.145 1.00 10.41 H new ATOM 0 HG23 VAL A 4 1.981 13.820 9.004 1.00 10.41 H new ATOM 77 N GLU A 5 3.188 14.930 13.713 1.00 9.27 N ATOM 78 CA GLU A 5 3.871 15.640 14.830 1.00 10.51 C ATOM 79 C GLU A 5 4.781 14.672 15.563 1.00 10.00 C ATOM 80 O GLU A 5 4.355 13.898 16.394 1.00 10.96 O ATOM 81 CB GLU A 5 2.829 16.193 15.795 1.00 10.42 C ATOM 82 CG GLU A 5 2.294 17.506 15.237 1.00 18.68 C ATOM 83 CD GLU A 5 1.309 18.125 16.230 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.132 17.821 16.133 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.749 18.892 17.070 1.00 19.38 O ATOM 0 H GLU A 5 3.069 13.926 13.848 1.00 9.27 H new ATOM 0 HA GLU A 5 4.464 16.462 14.430 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.016 15.478 15.924 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.272 16.353 16.778 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.118 18.195 15.050 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.800 17.332 14.281 1.00 18.68 H new ATOM 92 N ILE A 6 6.038 14.717 15.269 1.00 9.86 N ATOM 93 CA ILE A 6 6.978 13.804 15.969 1.00 10.60 C ATOM 94 C ILE A 6 7.095 14.276 17.424 1.00 10.16 C ATOM 95 O ILE A 6 7.756 15.251 17.720 1.00 11.64 O ATOM 96 CB ILE A 6 8.345 13.817 15.258 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.314 12.811 14.103 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.453 13.414 16.227 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.063 13.541 12.783 1.00 13.81 C ATOM 0 H ILE A 6 6.459 15.340 14.580 1.00 9.86 H new ATOM 0 HA ILE A 6 6.613 12.777 15.952 1.00 10.60 H new ATOM 0 HB ILE A 6 8.541 14.823 14.887 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.259 12.270 14.055 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.532 12.072 14.274 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.412 13.428 15.709 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.480 14.116 17.061 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.259 12.410 16.604 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.042 12.819 11.966 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.107 14.062 12.831 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.861 14.263 12.609 1.00 13.81 H new ATOM 111 N LYS A 7 6.439 13.599 18.334 1.00 11.63 N ATOM 112 CA LYS A 7 6.491 14.013 19.762 1.00 11.59 C ATOM 113 C LYS A 7 7.946 14.029 20.231 1.00 12.98 C ATOM 114 O LYS A 7 8.803 13.449 19.593 1.00 9.79 O ATOM 115 CB LYS A 7 5.682 13.006 20.587 1.00 12.52 C ATOM 116 CG LYS A 7 4.307 12.821 19.954 1.00 14.26 C ATOM 117 CD LYS A 7 3.256 13.554 20.789 1.00 15.70 C ATOM 118 CE LYS A 7 3.238 15.034 20.404 1.00 19.19 C ATOM 119 NZ LYS A 7 3.186 15.869 21.637 1.00 25.43 N ATOM 0 H LYS A 7 5.869 12.775 18.144 1.00 11.63 H new ATOM 0 HA LYS A 7 6.071 15.011 19.886 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.206 12.051 20.631 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.578 13.360 21.613 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.310 13.206 18.934 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.063 11.760 19.893 1.00 14.26 H new ATOM 0 HD2 LYS A 7 2.273 13.113 20.624 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.480 13.446 21.850 1.00 15.70 H new ATOM 0 HE2 LYS A 7 4.127 15.280 19.823 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.375 15.246 19.772 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.174 16.875 21.375 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.325 15.641 22.175 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.022 15.674 22.224 1.00 25.43 H new ATOM 133 N PRO A 8 8.186 14.681 21.340 1.00 13.56 N ATOM 134 CA PRO A 8 9.535 14.768 21.915 1.00 11.93 C ATOM 135 C PRO A 8 9.916 13.415 22.508 1.00 10.20 C ATOM 136 O PRO A 8 11.061 13.157 22.822 1.00 12.05 O ATOM 137 CB PRO A 8 9.412 15.858 22.984 1.00 12.78 C ATOM 138 CG PRO A 8 7.910 15.949 23.336 1.00 12.51 C ATOM 139 CD PRO A 8 7.145 15.376 22.128 1.00 13.61 C ATOM 0 HA PRO A 8 10.314 15.012 21.192 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.004 15.608 23.865 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.783 16.813 22.611 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.688 15.383 24.240 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.618 16.982 23.527 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.359 14.690 22.443 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.666 16.165 21.548 1.00 13.61 H new ATOM 147 N SER A 9 8.960 12.537 22.630 1.00 10.65 N ATOM 148 CA SER A 9 9.255 11.183 23.164 1.00 10.83 C ATOM 149 C SER A 9 9.300 10.202 21.989 1.00 10.94 C ATOM 150 O SER A 9 9.282 9.001 22.166 1.00 13.16 O ATOM 151 CB SER A 9 8.155 10.764 24.140 1.00 13.01 C ATOM 152 OG SER A 9 8.345 9.403 24.506 1.00 15.52 O ATOM 0 H SER A 9 7.985 12.702 22.381 1.00 10.65 H new ATOM 0 HA SER A 9 10.210 11.186 23.689 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.179 11.398 25.027 1.00 13.01 H new ATOM 0 HB3 SER A 9 7.175 10.896 23.680 1.00 13.01 H new ATOM 0 HG SER A 9 8.625 8.889 23.720 1.00 15.52 H new ATOM 158 N GLN A 10 9.354 10.715 20.784 1.00 10.02 N ATOM 159 CA GLN A 10 9.394 9.827 19.591 1.00 11.55 C ATOM 160 C GLN A 10 10.315 10.438 18.533 1.00 13.72 C ATOM 161 O GLN A 10 10.048 10.356 17.353 1.00 17.31 O ATOM 162 CB GLN A 10 7.992 9.693 19.001 1.00 6.60 C ATOM 163 CG GLN A 10 6.959 9.721 20.122 1.00 7.20 C ATOM 164 CD GLN A 10 6.945 8.371 20.842 1.00 10.36 C ATOM 165 OE1 GLN A 10 7.894 7.617 20.764 1.00 13.01 O ATOM 166 NE2 GLN A 10 5.899 8.031 21.545 1.00 4.80 N ATOM 0 H GLN A 10 9.372 11.714 20.579 1.00 10.02 H new ATOM 0 HA GLN A 10 9.764 8.846 19.889 1.00 11.55 H new ATOM 0 HB2 GLN A 10 7.803 10.505 18.299 1.00 6.60 H new ATOM 0 HB3 GLN A 10 7.910 8.762 18.441 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.195 10.518 20.827 1.00 7.20 H new ATOM 0 HG3 GLN A 10 5.971 9.937 19.715 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.101 8.663 21.611 1.00 4.80 H new ATOM 0 HE22 GLN A 10 5.879 7.133 22.028 1.00 4.80 H new ATOM 175 N ALA A 11 11.385 11.065 18.940 1.00 15.28 N ATOM 176 CA ALA A 11 12.298 11.690 17.940 1.00 18.95 C ATOM 177 C ALA A 11 13.642 10.959 17.921 1.00 20.75 C ATOM 178 O ALA A 11 14.681 11.558 17.730 1.00 24.78 O ATOM 179 CB ALA A 11 12.523 13.157 18.306 1.00 17.72 C ATOM 0 H ALA A 11 11.666 11.171 19.915 1.00 15.28 H new ATOM 0 HA ALA A 11 11.843 11.621 16.952 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.190 13.616 17.576 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.568 13.683 18.306 1.00 17.72 H new ATOM 0 HB3 ALA A 11 12.971 13.220 19.298 1.00 17.72 H new ATOM 185 N GLN A 12 13.632 9.669 18.113 1.00 22.50 N ATOM 186 CA GLN A 12 14.907 8.905 18.097 1.00 25.43 C ATOM 187 C GLN A 12 14.696 7.569 17.393 1.00 22.80 C ATOM 188 O GLN A 12 13.825 6.799 17.747 1.00 20.93 O ATOM 189 CB GLN A 12 15.370 8.660 19.528 1.00 30.18 C ATOM 190 CG GLN A 12 16.280 9.805 19.945 1.00 42.11 C ATOM 191 CD GLN A 12 16.738 9.602 21.391 1.00 46.61 C ATOM 192 OE1 GLN A 12 16.435 10.402 22.254 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.459 8.558 21.694 1.00 47.90 N ATOM 0 H GLN A 12 12.794 9.112 18.280 1.00 22.50 H new ATOM 0 HA GLN A 12 15.665 9.478 17.563 1.00 25.43 H new ATOM 0 HB2 GLN A 12 14.512 8.595 20.197 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.901 7.710 19.597 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.145 9.854 19.283 1.00 42.11 H new ATOM 0 HG3 GLN A 12 15.752 10.754 19.851 1.00 42.11 H new ATOM 0 HE21 GLN A 12 17.713 7.886 20.970 1.00 47.90 H new ATOM 0 HE22 GLN A 12 17.768 8.413 22.655 1.00 47.90 H new ATOM 202 N PHE A 13 15.482 7.288 16.393 1.00 21.61 N ATOM 203 CA PHE A 13 15.323 6.009 15.664 1.00 20.51 C ATOM 204 C PHE A 13 16.185 4.932 16.315 1.00 18.83 C ATOM 205 O PHE A 13 17.172 5.214 16.964 1.00 18.83 O ATOM 206 CB PHE A 13 15.786 6.199 14.228 1.00 19.56 C ATOM 207 CG PHE A 13 17.224 6.659 14.257 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.255 5.725 14.394 1.00 15.55 C ATOM 209 CD2 PHE A 13 17.523 8.023 14.162 1.00 20.50 C ATOM 210 CE1 PHE A 13 19.586 6.154 14.434 1.00 14.07 C ATOM 211 CE2 PHE A 13 18.852 8.453 14.200 1.00 20.75 C ATOM 212 CZ PHE A 13 19.883 7.519 14.337 1.00 18.48 C ATOM 0 H PHE A 13 16.229 7.893 16.051 1.00 21.61 H new ATOM 0 HA PHE A 13 14.276 5.706 15.691 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.696 5.266 13.672 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.161 6.934 13.720 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.024 4.673 14.469 1.00 15.55 H new ATOM 0 HD2 PHE A 13 16.726 8.744 14.059 1.00 20.50 H new ATOM 0 HE1 PHE A 13 20.383 5.433 14.540 1.00 14.07 H new ATOM 0 HE2 PHE A 13 19.082 9.505 14.124 1.00 20.75 H new ATOM 0 HZ PHE A 13 20.910 7.851 14.368 1.00 18.48 H new ATOM 222 N THR A 14 15.830 3.698 16.121 1.00 14.89 N ATOM 223 CA THR A 14 16.633 2.590 16.697 1.00 13.37 C ATOM 224 C THR A 14 16.889 1.563 15.600 1.00 11.97 C ATOM 225 O THR A 14 16.214 1.541 14.590 1.00 10.76 O ATOM 226 CB THR A 14 15.870 1.930 17.847 1.00 13.68 C ATOM 227 OG1 THR A 14 16.673 0.906 18.417 1.00 13.48 O ATOM 228 CG2 THR A 14 14.569 1.326 17.319 1.00 9.24 C ATOM 0 H THR A 14 15.013 3.407 15.585 1.00 14.89 H new ATOM 0 HA THR A 14 17.576 2.978 17.082 1.00 13.37 H new ATOM 0 HB THR A 14 15.638 2.677 18.606 1.00 13.68 H new ATOM 0 HG1 THR A 14 16.187 0.482 19.155 1.00 13.48 H new ATOM 0 HG21 THR A 14 14.027 0.856 18.140 1.00 9.24 H new ATOM 0 HG22 THR A 14 13.954 2.112 16.881 1.00 9.24 H new ATOM 0 HG23 THR A 14 14.797 0.578 16.560 1.00 9.24 H new ATOM 236 N THR A 15 17.853 0.712 15.781 1.00 13.20 N ATOM 237 CA THR A 15 18.135 -0.304 14.733 1.00 12.54 C ATOM 238 C THR A 15 17.112 -1.434 14.844 1.00 14.34 C ATOM 239 O THR A 15 17.129 -2.213 15.776 1.00 17.35 O ATOM 240 CB THR A 15 19.543 -0.867 14.924 1.00 11.88 C ATOM 241 OG1 THR A 15 20.367 0.116 15.535 1.00 17.15 O ATOM 242 CG2 THR A 15 20.126 -1.250 13.564 1.00 8.30 C ATOM 0 H THR A 15 18.456 0.674 16.603 1.00 13.20 H new ATOM 0 HA THR A 15 18.067 0.159 13.748 1.00 12.54 H new ATOM 0 HB THR A 15 19.499 -1.750 15.562 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.270 -0.245 15.659 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.130 -1.652 13.699 1.00 8.30 H new ATOM 0 HG22 THR A 15 19.493 -2.004 13.096 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.171 -0.368 12.926 1.00 8.30 H new ATOM 435 N LEU A 28 17.579 -1.123 9.294 1.00 18.57 N ATOM 436 CA LEU A 28 17.662 0.344 9.050 1.00 16.31 C ATOM 437 C LEU A 28 16.990 1.111 10.192 1.00 14.21 C ATOM 438 O LEU A 28 15.906 0.779 10.630 1.00 16.97 O ATOM 439 CB LEU A 28 16.967 0.676 7.732 1.00 16.48 C ATOM 440 CG LEU A 28 17.781 1.727 6.976 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.167 1.181 5.600 1.00 24.00 C ATOM 442 CD2 LEU A 28 16.940 2.995 6.806 1.00 22.01 C ATOM 0 HA LEU A 28 18.710 0.638 8.999 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.864 -0.224 7.126 1.00 16.48 H new ATOM 0 HB3 LEU A 28 15.961 1.049 7.923 1.00 16.48 H new ATOM 0 HG LEU A 28 18.685 1.962 7.538 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.747 1.930 5.061 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.765 0.278 5.722 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.265 0.946 5.036 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.518 3.746 6.267 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.037 2.760 6.243 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.665 3.384 7.787 1.00 22.01 H new ATOM 454 N ASN A 29 17.633 2.141 10.670 1.00 11.64 N ATOM 455 CA ASN A 29 17.052 2.952 11.782 1.00 9.77 C ATOM 456 C ASN A 29 15.574 3.250 11.500 1.00 7.94 C ATOM 457 O ASN A 29 15.205 3.646 10.412 1.00 10.52 O ATOM 458 CB ASN A 29 17.811 4.282 11.924 1.00 14.73 C ATOM 459 CG ASN A 29 18.492 4.673 10.606 1.00 17.90 C ATOM 460 OD1 ASN A 29 18.192 4.135 9.560 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.402 5.607 10.616 1.00 12.89 N ATOM 0 H ASN A 29 18.543 2.459 10.336 1.00 11.64 H new ATOM 0 HA ASN A 29 17.142 2.381 12.706 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.120 5.068 12.227 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.559 4.195 12.712 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.859 5.883 9.747 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.657 6.061 11.493 1.00 12.89 H new ATOM 468 N GLU A 30 14.730 3.073 12.482 1.00 8.58 N ATOM 469 CA GLU A 30 13.275 3.354 12.293 1.00 13.16 C ATOM 470 C GLU A 30 12.799 4.277 13.421 1.00 12.26 C ATOM 471 O GLU A 30 13.348 4.271 14.504 1.00 10.58 O ATOM 472 CB GLU A 30 12.491 2.042 12.338 1.00 14.93 C ATOM 473 CG GLU A 30 12.669 1.297 11.014 1.00 27.13 C ATOM 474 CD GLU A 30 11.781 0.052 11.004 1.00 33.28 C ATOM 475 OE1 GLU A 30 10.588 0.201 10.794 1.00 38.01 O ATOM 476 OE2 GLU A 30 12.308 -1.030 11.205 1.00 40.03 O ATOM 0 H GLU A 30 14.987 2.744 13.413 1.00 8.58 H new ATOM 0 HA GLU A 30 13.112 3.835 11.328 1.00 13.16 H new ATOM 0 HB2 GLU A 30 12.841 1.425 13.165 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.434 2.243 12.516 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.408 1.949 10.180 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.713 1.013 10.882 1.00 27.13 H new ATOM 483 N GLN A 31 11.794 5.079 13.180 1.00 10.34 N ATOM 484 CA GLN A 31 11.312 6.004 14.251 1.00 9.46 C ATOM 485 C GLN A 31 9.781 5.990 14.316 1.00 10.09 C ATOM 486 O GLN A 31 9.126 5.184 13.685 1.00 9.36 O ATOM 487 CB GLN A 31 11.786 7.431 13.932 1.00 7.25 C ATOM 488 CG GLN A 31 12.157 8.175 15.221 1.00 10.62 C ATOM 489 CD GLN A 31 11.855 9.666 15.052 1.00 8.77 C ATOM 490 OE1 GLN A 31 12.755 10.471 14.936 1.00 8.56 O ATOM 491 NE2 GLN A 31 10.618 10.073 15.031 1.00 12.39 N ATOM 0 H GLN A 31 11.289 5.134 12.295 1.00 10.34 H new ATOM 0 HA GLN A 31 11.713 5.677 15.210 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.648 7.394 13.266 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.000 7.973 13.406 1.00 7.25 H new ATOM 0 HG2 GLN A 31 11.593 7.771 16.062 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.213 8.030 15.447 1.00 10.62 H new ATOM 0 HE21 GLN A 31 9.858 9.400 15.128 1.00 12.39 H new ATOM 0 HE22 GLN A 31 10.409 11.065 14.917 1.00 12.39 H new ATOM 500 N LEU A 32 9.213 6.891 15.072 1.00 6.80 N ATOM 501 CA LEU A 32 7.729 6.961 15.187 1.00 10.34 C ATOM 502 C LEU A 32 7.276 8.394 14.865 1.00 9.02 C ATOM 503 O LEU A 32 8.091 9.279 14.692 1.00 11.15 O ATOM 504 CB LEU A 32 7.317 6.586 16.614 1.00 10.20 C ATOM 505 CG LEU A 32 8.166 5.410 17.097 1.00 16.38 C ATOM 506 CD1 LEU A 32 7.939 5.197 18.595 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.762 4.145 16.334 1.00 15.89 C ATOM 0 H LEU A 32 9.719 7.587 15.619 1.00 6.80 H new ATOM 0 HA LEU A 32 7.261 6.267 14.489 1.00 10.34 H new ATOM 0 HB2 LEU A 32 7.448 7.440 17.278 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.260 6.321 16.641 1.00 10.20 H new ATOM 0 HG LEU A 32 9.220 5.623 16.917 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.544 4.358 18.939 1.00 17.42 H new ATOM 0 HD12 LEU A 32 8.225 6.098 19.138 1.00 17.42 H new ATOM 0 HD13 LEU A 32 6.886 4.983 18.777 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.366 3.305 16.677 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.708 3.932 16.515 1.00 15.89 H new ATOM 0 HD23 LEU A 32 7.924 4.297 15.267 1.00 15.89 H new ATOM 519 N CYS A 33 5.993 8.638 14.777 1.00 9.68 N ATOM 520 CA CYS A 33 5.515 10.011 14.463 1.00 8.10 C ATOM 521 C CYS A 33 4.014 10.062 14.721 1.00 6.34 C ATOM 522 O CYS A 33 3.354 9.044 14.777 1.00 8.02 O ATOM 523 CB CYS A 33 5.782 10.366 12.990 1.00 8.88 C ATOM 524 SG CYS A 33 6.302 8.904 12.054 1.00 13.84 S ATOM 0 H CYS A 33 5.258 7.943 14.910 1.00 9.68 H new ATOM 0 HA CYS A 33 6.047 10.727 15.090 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.880 10.786 12.544 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.554 11.133 12.931 1.00 8.88 H new ATOM 0 HG CYS A 33 5.458 8.683 11.090 1.00 13.84 H new ATOM 530 N TYR A 34 3.465 11.228 14.882 1.00 7.35 N ATOM 531 CA TYR A 34 2.006 11.321 15.142 1.00 7.08 C ATOM 532 C TYR A 34 1.302 11.861 13.902 1.00 7.71 C ATOM 533 O TYR A 34 1.172 13.054 13.726 1.00 7.80 O ATOM 534 CB TYR A 34 1.766 12.275 16.301 1.00 8.67 C ATOM 535 CG TYR A 34 1.863 11.535 17.615 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.774 10.490 17.779 1.00 13.61 C ATOM 537 CD2 TYR A 34 1.029 11.913 18.677 1.00 12.44 C ATOM 538 CE1 TYR A 34 2.851 9.823 19.006 1.00 17.22 C ATOM 539 CE2 TYR A 34 1.105 11.246 19.898 1.00 16.38 C ATOM 540 CZ TYR A 34 2.013 10.203 20.062 1.00 16.83 C ATOM 541 OH TYR A 34 2.089 9.542 21.271 1.00 21.14 O ATOM 0 H TYR A 34 3.961 12.119 14.845 1.00 7.35 H new ATOM 0 HA TYR A 34 1.616 10.333 15.385 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.498 13.082 16.275 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.782 12.734 16.206 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.417 10.198 16.962 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.326 12.723 18.548 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.556 9.016 19.139 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.461 11.537 20.715 1.00 16.38 H new ATOM 0 HH TYR A 34 1.441 9.929 21.897 1.00 21.14 H new ATOM 551 N VAL A 35 0.847 10.998 13.042 1.00 9.44 N ATOM 552 CA VAL A 35 0.155 11.480 11.817 1.00 10.66 C ATOM 553 C VAL A 35 -1.351 11.510 12.042 1.00 10.57 C ATOM 554 O VAL A 35 -1.968 10.507 12.340 1.00 8.31 O ATOM 555 CB VAL A 35 0.473 10.565 10.637 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.136 11.159 9.364 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.990 10.456 10.475 1.00 9.86 C ATOM 0 H VAL A 35 0.923 9.985 13.132 1.00 9.44 H new ATOM 0 HA VAL A 35 0.507 12.488 11.596 1.00 10.66 H new ATOM 0 HB VAL A 35 0.056 9.574 10.815 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.087 10.510 8.517 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.216 11.242 9.482 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.287 12.148 9.185 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.220 9.803 9.633 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.408 11.446 10.292 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.424 10.041 11.385 1.00 9.86 H new ATOM 567 N ASP A 36 -1.950 12.656 11.888 1.00 8.58 N ATOM 568 CA ASP A 36 -3.412 12.753 12.071 1.00 11.48 C ATOM 569 C ASP A 36 -4.088 12.099 10.868 1.00 12.38 C ATOM 570 O ASP A 36 -5.104 11.456 10.992 1.00 11.89 O ATOM 571 CB ASP A 36 -3.827 14.224 12.162 1.00 16.17 C ATOM 572 CG ASP A 36 -2.741 15.018 12.890 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.537 14.764 14.066 1.00 15.67 O ATOM 574 OD2 ASP A 36 -2.131 15.866 12.259 1.00 25.89 O ATOM 0 H ASP A 36 -1.483 13.529 11.642 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.710 12.249 12.991 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.982 14.631 11.163 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.775 14.313 12.693 1.00 16.17 H new ATOM 579 N LEU A 37 -3.512 12.260 9.704 1.00 13.17 N ATOM 580 CA LEU A 37 -4.096 11.652 8.473 1.00 18.47 C ATOM 581 C LEU A 37 -5.621 11.760 8.507 1.00 21.14 C ATOM 582 O LEU A 37 -6.323 10.947 7.940 1.00 24.24 O ATOM 583 CB LEU A 37 -3.678 10.179 8.375 1.00 15.81 C ATOM 584 CG LEU A 37 -4.387 9.354 9.453 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.670 7.950 8.914 1.00 14.72 C ATOM 586 CD2 LEU A 37 -3.490 9.254 10.690 1.00 20.01 C ATOM 0 H LEU A 37 -2.655 12.792 9.554 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.725 12.189 7.600 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.924 9.789 7.388 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -2.598 10.092 8.492 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.326 9.837 9.723 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -5.175 7.361 9.680 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -5.307 8.020 8.032 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.730 7.467 8.646 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -3.994 8.667 11.458 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -2.551 8.770 10.421 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -3.286 10.254 11.073 1.00 20.01 H new ATOM 598 N GLY A 38 -6.140 12.760 9.163 1.00 20.70 N ATOM 599 CA GLY A 38 -7.617 12.919 9.226 1.00 23.91 C ATOM 600 C GLY A 38 -8.227 11.780 10.053 1.00 26.50 C ATOM 601 O GLY A 38 -9.368 11.407 9.866 1.00 31.02 O ATOM 0 H GLY A 38 -5.604 13.473 9.658 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.870 13.881 9.672 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.036 12.915 8.220 1.00 23.91 H new ATOM 605 N ASN A 39 -7.469 11.214 10.955 1.00 27.64 N ATOM 606 CA ASN A 39 -7.985 10.093 11.780 1.00 30.27 C ATOM 607 C ASN A 39 -8.499 10.605 13.123 1.00 26.79 C ATOM 608 O ASN A 39 -8.698 9.845 14.050 1.00 26.87 O ATOM 609 CB ASN A 39 -6.854 9.094 12.026 1.00 35.62 C ATOM 610 CG ASN A 39 -7.300 7.691 11.621 1.00 41.31 C ATOM 611 OD1 ASN A 39 -8.407 7.501 11.159 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.475 6.693 11.777 1.00 39.63 N ATOM 0 H ASN A 39 -6.506 11.486 11.154 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.807 9.614 11.249 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -5.972 9.383 11.455 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -6.570 9.105 13.078 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -6.759 5.750 11.511 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.546 6.855 12.165 1.00 39.63 H new ATOM 619 N GLU A 40 -8.710 11.880 13.246 1.00 25.15 N ATOM 620 CA GLU A 40 -9.203 12.418 14.538 1.00 23.81 C ATOM 621 C GLU A 40 -8.095 12.275 15.580 1.00 21.12 C ATOM 622 O GLU A 40 -7.946 11.240 16.197 1.00 19.86 O ATOM 623 CB GLU A 40 -10.434 11.627 14.989 1.00 27.22 C ATOM 624 CG GLU A 40 -11.298 11.284 13.773 1.00 34.87 C ATOM 625 CD GLU A 40 -12.777 11.393 14.151 1.00 38.97 C ATOM 626 OE1 GLU A 40 -13.166 12.435 14.653 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.496 10.431 13.931 1.00 39.54 O ATOM 0 H GLU A 40 -8.563 12.572 12.511 1.00 25.15 H new ATOM 0 HA GLU A 40 -9.476 13.467 14.424 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.126 10.714 15.498 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -11.012 12.211 15.705 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -11.071 11.961 12.950 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.073 10.275 13.427 1.00 34.87 H new ATOM 634 N HIS A 41 -7.311 13.306 15.756 1.00 4.72 N ATOM 635 CA HIS A 41 -6.186 13.265 16.742 1.00 4.00 C ATOM 636 C HIS A 41 -4.950 12.671 16.052 1.00 3.03 C ATOM 637 O HIS A 41 -5.057 12.144 14.962 1.00 2.13 O ATOM 638 CB HIS A 41 -6.586 12.415 17.953 1.00 4.77 C ATOM 639 CG HIS A 41 -8.005 12.724 18.343 1.00 4.22 C ATOM 640 ND1 HIS A 41 -9.012 11.772 18.302 1.00 5.02 N ATOM 641 CD2 HIS A 41 -8.596 13.875 18.792 1.00 3.99 C ATOM 642 CE1 HIS A 41 -10.147 12.365 18.716 1.00 5.10 C ATOM 643 NE2 HIS A 41 -9.949 13.649 19.028 1.00 4.57 N ATOM 0 H HIS A 41 -7.402 14.188 15.252 1.00 4.72 H new ATOM 0 HA HIS A 41 -5.957 14.272 17.092 1.00 4.00 H new ATOM 0 HB2 HIS A 41 -6.487 11.356 17.715 1.00 4.77 H new ATOM 0 HB3 HIS A 41 -5.917 12.618 18.789 1.00 4.77 H new ATOM 0 HD1 HIS A 41 -8.911 10.800 18.011 1.00 5.02 H new ATOM 0 HD2 HIS A 41 -8.088 14.817 18.941 1.00 3.99 H new ATOM 0 HE1 HIS A 41 -11.101 11.864 18.787 1.00 5.10 H new ATOM 651 N PRO A 42 -3.808 12.784 16.689 1.00 15.11 N ATOM 652 CA PRO A 42 -2.544 12.277 16.126 1.00 16.08 C ATOM 653 C PRO A 42 -2.439 10.767 16.281 1.00 17.92 C ATOM 654 O PRO A 42 -2.956 10.188 17.216 1.00 17.13 O ATOM 655 CB PRO A 42 -1.468 12.951 16.971 1.00 16.41 C ATOM 656 CG PRO A 42 -2.143 13.354 18.299 1.00 13.79 C ATOM 657 CD PRO A 42 -3.660 13.414 18.019 1.00 16.28 C ATOM 0 HA PRO A 42 -2.459 12.489 15.060 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.634 12.273 17.150 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.064 13.825 16.460 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.921 12.629 19.082 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.774 14.320 18.644 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.227 12.877 18.779 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.024 14.441 18.016 1.00 16.28 H new ATOM 665 N VAL A 43 -1.756 10.124 15.381 1.00 16.29 N ATOM 666 CA VAL A 43 -1.599 8.662 15.490 1.00 14.28 C ATOM 667 C VAL A 43 -0.115 8.320 15.533 1.00 9.00 C ATOM 668 O VAL A 43 0.631 8.619 14.622 1.00 7.99 O ATOM 669 CB VAL A 43 -2.263 7.986 14.288 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.590 8.684 13.982 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.345 8.078 13.063 1.00 20.57 C ATOM 0 H VAL A 43 -1.301 10.553 14.575 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.075 8.305 16.403 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.444 6.937 14.522 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.065 8.204 13.126 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.247 8.612 14.849 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.405 9.733 13.753 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.825 7.595 12.212 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.157 9.125 12.827 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.400 7.579 13.278 1.00 20.57 H new ATOM 681 N LEU A 44 0.320 7.691 16.582 1.00 10.19 N ATOM 682 CA LEU A 44 1.750 7.330 16.674 1.00 11.55 C ATOM 683 C LEU A 44 2.021 6.165 15.726 1.00 10.61 C ATOM 684 O LEU A 44 1.581 5.054 15.945 1.00 13.49 O ATOM 685 CB LEU A 44 2.082 6.927 18.102 1.00 10.60 C ATOM 686 CG LEU A 44 3.543 6.494 18.172 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.421 7.532 17.469 1.00 15.65 C ATOM 688 CD2 LEU A 44 3.969 6.370 19.637 1.00 20.21 C ATOM 0 H LEU A 44 -0.254 7.412 17.378 1.00 10.19 H new ATOM 0 HA LEU A 44 2.371 8.182 16.396 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.905 7.762 18.779 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.433 6.113 18.423 1.00 10.60 H new ATOM 0 HG LEU A 44 3.659 5.530 17.677 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.464 7.221 17.520 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.119 7.617 16.425 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.306 8.498 17.960 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.013 6.061 19.687 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.852 7.334 20.133 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.346 5.627 20.135 1.00 20.21 H new ATOM 700 N VAL A 45 2.729 6.417 14.665 1.00 10.81 N ATOM 701 CA VAL A 45 3.018 5.333 13.687 1.00 9.29 C ATOM 702 C VAL A 45 4.535 5.204 13.500 1.00 9.95 C ATOM 703 O VAL A 45 5.288 6.102 13.822 1.00 9.36 O ATOM 704 CB VAL A 45 2.326 5.665 12.355 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.198 6.607 11.519 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.070 4.374 11.571 1.00 10.20 C ATOM 0 H VAL A 45 3.122 7.329 14.431 1.00 10.81 H new ATOM 0 HA VAL A 45 2.636 4.380 14.054 1.00 9.29 H new ATOM 0 HB VAL A 45 1.378 6.159 12.568 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.693 6.832 10.579 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.367 7.532 12.071 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.155 6.128 11.311 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.579 4.613 10.627 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.019 3.876 11.371 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.430 3.714 12.156 1.00 10.20 H new ATOM 716 N LYS A 46 4.988 4.088 12.999 1.00 10.76 N ATOM 717 CA LYS A 46 6.454 3.889 12.811 1.00 12.81 C ATOM 718 C LYS A 46 6.942 4.646 11.572 1.00 13.35 C ATOM 719 O LYS A 46 6.166 5.058 10.733 1.00 12.90 O ATOM 720 CB LYS A 46 6.738 2.396 12.637 1.00 17.04 C ATOM 721 CG LYS A 46 8.243 2.144 12.735 1.00 26.60 C ATOM 722 CD LYS A 46 8.512 0.639 12.693 1.00 33.77 C ATOM 723 CE LYS A 46 7.936 -0.019 13.948 1.00 34.48 C ATOM 724 NZ LYS A 46 7.177 -1.242 13.563 1.00 36.74 N ATOM 0 H LYS A 46 4.405 3.303 12.711 1.00 10.76 H new ATOM 0 HA LYS A 46 6.980 4.272 13.686 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.213 1.824 13.402 1.00 17.04 H new ATOM 0 HB3 LYS A 46 6.364 2.055 11.672 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.760 2.640 11.913 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.634 2.568 13.660 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.061 0.203 11.802 1.00 33.77 H new ATOM 0 HD3 LYS A 46 9.584 0.452 12.631 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.740 -0.279 14.637 1.00 34.48 H new ATOM 0 HE3 LYS A 46 7.282 0.679 14.470 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 7.121 -1.886 14.377 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 6.217 -0.975 13.266 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 7.663 -1.719 12.777 1.00 36.74 H new ATOM 738 N ILE A 47 8.232 4.822 11.455 1.00 13.96 N ATOM 739 CA ILE A 47 8.797 5.540 10.280 1.00 16.93 C ATOM 740 C ILE A 47 10.193 4.983 9.982 1.00 16.52 C ATOM 741 O ILE A 47 10.730 4.196 10.736 1.00 17.67 O ATOM 742 CB ILE A 47 8.881 7.047 10.587 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.829 7.844 9.282 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.187 7.374 11.316 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.611 8.764 9.298 1.00 18.26 C ATOM 0 H ILE A 47 8.923 4.495 12.131 1.00 13.96 H new ATOM 0 HA ILE A 47 8.156 5.395 9.411 1.00 16.93 H new ATOM 0 HB ILE A 47 8.037 7.316 11.223 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.740 8.431 9.165 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.775 7.166 8.431 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.229 8.443 11.525 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.229 6.819 12.253 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.034 7.093 10.690 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.572 9.333 8.369 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.705 8.166 9.396 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.685 9.451 10.141 1.00 18.26 H new ATOM 757 N THR A 48 10.786 5.387 8.896 1.00 16.86 N ATOM 758 CA THR A 48 12.144 4.883 8.565 1.00 16.59 C ATOM 759 C THR A 48 13.162 6.008 8.758 1.00 19.04 C ATOM 760 O THR A 48 12.871 7.166 8.535 1.00 22.56 O ATOM 761 CB THR A 48 12.172 4.414 7.111 1.00 16.30 C ATOM 762 OG1 THR A 48 11.016 3.634 6.844 1.00 17.90 O ATOM 763 CG2 THR A 48 13.425 3.575 6.871 1.00 16.02 C ATOM 0 H THR A 48 10.389 6.044 8.224 1.00 16.86 H new ATOM 0 HA THR A 48 12.394 4.048 9.220 1.00 16.59 H new ATOM 0 HB THR A 48 12.185 5.279 6.448 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.032 3.334 5.911 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.446 3.240 5.834 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.311 4.177 7.076 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.415 2.708 7.532 1.00 16.02 H new ATOM 771 N LEU A 49 14.356 5.677 9.164 1.00 18.35 N ATOM 772 CA LEU A 49 15.392 6.724 9.365 1.00 18.82 C ATOM 773 C LEU A 49 16.554 6.452 8.406 1.00 20.06 C ATOM 774 O LEU A 49 16.860 5.318 8.097 1.00 18.35 O ATOM 775 CB LEU A 49 15.883 6.688 10.821 1.00 18.79 C ATOM 776 CG LEU A 49 15.829 8.089 11.426 1.00 18.24 C ATOM 777 CD1 LEU A 49 16.936 8.954 10.817 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.465 8.725 11.140 1.00 14.50 C ATOM 0 H LEU A 49 14.658 4.724 9.365 1.00 18.35 H new ATOM 0 HA LEU A 49 14.976 7.711 9.163 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.264 6.007 11.405 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.903 6.305 10.860 1.00 18.79 H new ATOM 0 HG LEU A 49 15.974 8.020 12.504 1.00 18.24 H new ATOM 0 HD11 LEU A 49 16.896 9.954 11.250 1.00 20.41 H new ATOM 0 HD12 LEU A 49 17.906 8.505 11.029 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.794 9.020 9.738 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.431 9.724 11.574 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.313 8.792 10.063 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.678 8.112 11.580 1.00 14.50 H new ATOM 790 N ASP A 50 17.190 7.478 7.914 1.00 22.62 N ATOM 791 CA ASP A 50 18.318 7.266 6.962 1.00 27.04 C ATOM 792 C ASP A 50 19.600 6.961 7.737 1.00 27.73 C ATOM 793 O ASP A 50 19.872 7.548 8.765 1.00 26.65 O ATOM 794 CB ASP A 50 18.519 8.527 6.120 1.00 29.11 C ATOM 795 CG ASP A 50 18.713 8.135 4.654 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.998 7.258 4.197 1.00 30.76 O ATOM 797 OD2 ASP A 50 19.574 8.716 4.014 1.00 33.99 O ATOM 0 H ASP A 50 16.979 8.453 8.129 1.00 22.62 H new ATOM 0 HA ASP A 50 18.084 6.425 6.310 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.656 9.186 6.220 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.387 9.081 6.477 1.00 29.11 H new ATOM 802 N GLU A 51 20.393 6.044 7.249 1.00 31.16 N ATOM 803 CA GLU A 51 21.660 5.700 7.954 1.00 34.22 C ATOM 804 C GLU A 51 22.481 6.972 8.170 1.00 34.98 C ATOM 805 O GLU A 51 23.053 7.518 7.248 1.00 34.19 O ATOM 806 CB GLU A 51 22.464 4.712 7.107 1.00 38.24 C ATOM 807 CG GLU A 51 23.417 3.923 8.007 1.00 46.84 C ATOM 808 CD GLU A 51 24.853 4.093 7.507 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.105 3.752 6.363 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.676 4.562 8.276 1.00 53.83 O ATOM 0 H GLU A 51 20.217 5.519 6.392 1.00 31.16 H new ATOM 0 HA GLU A 51 21.429 5.246 8.918 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.790 4.031 6.587 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.028 5.247 6.343 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.335 4.273 9.036 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.144 2.868 8.007 1.00 46.84 H new ATOM 817 N GLY A 52 22.541 7.451 9.382 1.00 34.53 N ATOM 818 CA GLY A 52 23.323 8.689 9.655 1.00 34.93 C ATOM 819 C GLY A 52 22.366 9.875 9.785 1.00 36.10 C ATOM 820 O GLY A 52 22.740 10.942 10.228 1.00 35.97 O ATOM 0 H GLY A 52 22.082 7.039 10.195 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.902 8.572 10.571 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.035 8.868 8.849 1.00 34.93 H new ATOM 824 N GLN A 53 21.131 9.695 9.403 1.00 36.52 N ATOM 825 CA GLN A 53 20.149 10.809 9.506 1.00 35.40 C ATOM 826 C GLN A 53 19.613 10.882 10.939 1.00 31.02 C ATOM 827 O GLN A 53 19.485 9.872 11.603 1.00 29.05 O ATOM 828 CB GLN A 53 18.988 10.560 8.542 1.00 41.20 C ATOM 829 CG GLN A 53 19.180 11.401 7.278 1.00 47.61 C ATOM 830 CD GLN A 53 17.861 11.478 6.509 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.834 11.804 7.071 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.845 11.191 5.236 1.00 54.76 N ATOM 0 H GLN A 53 20.760 8.824 9.024 1.00 36.52 H new ATOM 0 HA GLN A 53 20.638 11.749 9.249 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.938 9.502 8.283 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.043 10.816 9.021 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.517 12.403 7.543 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.954 10.960 6.650 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.707 10.917 4.764 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.971 11.240 4.713 1.00 54.76 H new ATOM 841 N PRO A 54 19.315 12.080 11.372 1.00 27.43 N ATOM 842 CA PRO A 54 18.788 12.326 12.724 1.00 23.44 C ATOM 843 C PRO A 54 17.299 11.976 12.792 1.00 20.14 C ATOM 844 O PRO A 54 16.500 12.497 12.040 1.00 21.64 O ATOM 845 CB PRO A 54 19.004 13.826 12.927 1.00 24.39 C ATOM 846 CG PRO A 54 19.105 14.443 11.516 1.00 27.18 C ATOM 847 CD PRO A 54 19.475 13.298 10.556 1.00 28.37 C ATOM 0 HA PRO A 54 19.276 11.722 13.489 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.178 14.266 13.486 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.912 14.014 13.500 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.159 14.901 11.226 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.860 15.228 11.491 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.822 13.282 9.684 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.496 13.400 10.188 1.00 28.37 H new ATOM 855 N ALA A 55 16.927 11.096 13.686 1.00 17.21 N ATOM 856 CA ALA A 55 15.495 10.705 13.814 1.00 15.58 C ATOM 857 C ALA A 55 14.594 11.926 13.604 1.00 16.41 C ATOM 858 O ALA A 55 14.924 13.027 13.997 1.00 13.65 O ATOM 859 CB ALA A 55 15.267 10.139 15.213 1.00 13.98 C ATOM 0 H ALA A 55 17.560 10.630 14.336 1.00 17.21 H new ATOM 0 HA ALA A 55 15.252 9.956 13.060 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.222 9.848 15.322 1.00 13.98 H new ATOM 0 HB2 ALA A 55 15.904 9.267 15.361 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.512 10.897 15.957 1.00 13.98 H new ATOM 865 N TYR A 56 13.458 11.734 12.984 1.00 15.93 N ATOM 866 CA TYR A 56 12.528 12.876 12.744 1.00 14.61 C ATOM 867 C TYR A 56 12.478 13.759 13.992 1.00 15.51 C ATOM 868 O TYR A 56 11.771 13.476 14.937 1.00 17.19 O ATOM 869 CB TYR A 56 11.125 12.339 12.434 1.00 12.92 C ATOM 870 CG TYR A 56 11.154 11.585 11.121 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.592 10.254 11.092 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.755 12.215 9.937 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.629 9.556 9.880 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.794 11.515 8.725 1.00 7.90 C ATOM 875 CZ TYR A 56 11.230 10.187 8.697 1.00 10.29 C ATOM 876 OH TYR A 56 11.269 9.497 7.502 1.00 12.03 O ATOM 0 H TYR A 56 13.134 10.833 12.633 1.00 15.93 H new ATOM 0 HA TYR A 56 12.882 13.464 11.897 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.790 11.682 13.236 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.413 13.162 12.378 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.901 9.767 12.005 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.417 13.241 9.958 1.00 7.14 H new ATOM 0 HE1 TYR A 56 11.966 8.530 9.858 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.487 12.001 7.811 1.00 7.90 H new ATOM 0 HH TYR A 56 11.771 8.664 7.622 1.00 12.03 H new ATOM 886 N ALA A 57 13.231 14.825 14.003 1.00 13.38 N ATOM 887 CA ALA A 57 13.235 15.726 15.189 1.00 14.95 C ATOM 888 C ALA A 57 11.800 15.934 15.680 1.00 15.46 C ATOM 889 O ALA A 57 10.856 15.626 14.979 1.00 17.82 O ATOM 890 CB ALA A 57 13.841 17.076 14.802 1.00 14.98 C ATOM 0 H ALA A 57 13.845 15.111 13.240 1.00 13.38 H new ATOM 0 HA ALA A 57 13.829 15.275 15.984 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.844 17.736 15.670 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.864 16.929 14.454 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.248 17.526 14.006 1.00 14.98 H new ATOM 896 N PRO A 58 11.681 16.453 16.875 1.00 15.20 N ATOM 897 CA PRO A 58 10.374 16.718 17.497 1.00 16.55 C ATOM 898 C PRO A 58 9.751 17.990 16.914 1.00 16.75 C ATOM 899 O PRO A 58 10.171 19.090 17.213 1.00 17.28 O ATOM 900 CB PRO A 58 10.713 16.904 18.979 1.00 15.65 C ATOM 901 CG PRO A 58 12.209 17.295 19.039 1.00 14.16 C ATOM 902 CD PRO A 58 12.839 16.823 17.716 1.00 13.96 C ATOM 0 HA PRO A 58 9.649 15.922 17.328 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.091 17.680 19.425 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.529 15.986 19.538 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.324 18.372 19.160 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.699 16.824 19.891 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.431 17.612 17.253 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.505 15.974 17.872 1.00 13.96 H new ATOM 910 N GLY A 59 8.754 17.851 16.083 1.00 17.22 N ATOM 911 CA GLY A 59 8.113 19.056 15.485 1.00 15.08 C ATOM 912 C GLY A 59 6.908 18.639 14.639 1.00 14.96 C ATOM 913 O GLY A 59 6.533 17.484 14.604 1.00 13.79 O ATOM 0 H GLY A 59 8.357 16.957 15.793 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.796 19.739 16.273 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.833 19.593 14.868 1.00 15.08 H new ATOM 917 N LEU A 60 6.303 19.571 13.951 1.00 15.83 N ATOM 918 CA LEU A 60 5.132 19.232 13.093 1.00 14.53 C ATOM 919 C LEU A 60 5.644 18.548 11.827 1.00 14.15 C ATOM 920 O LEU A 60 6.682 18.905 11.307 1.00 13.27 O ATOM 921 CB LEU A 60 4.394 20.519 12.713 1.00 15.84 C ATOM 922 CG LEU A 60 2.908 20.379 13.041 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.277 21.768 13.163 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.212 19.597 11.923 1.00 15.01 C ATOM 0 H LEU A 60 6.571 20.555 13.947 1.00 15.83 H new ATOM 0 HA LEU A 60 4.450 18.571 13.628 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.817 21.365 13.254 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.524 20.723 11.650 1.00 15.84 H new ATOM 0 HG LEU A 60 2.793 19.846 13.985 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.217 21.667 13.397 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.773 22.324 13.959 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.391 22.303 12.220 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.152 19.496 12.155 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.328 20.130 10.979 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.661 18.607 11.838 1.00 15.01 H new ATOM 936 N TYR A 61 4.949 17.564 11.324 1.00 11.12 N ATOM 937 CA TYR A 61 5.448 16.884 10.103 1.00 9.57 C ATOM 938 C TYR A 61 4.361 16.739 9.060 1.00 11.76 C ATOM 939 O TYR A 61 3.183 16.856 9.324 1.00 11.26 O ATOM 940 CB TYR A 61 5.990 15.508 10.461 1.00 9.42 C ATOM 941 CG TYR A 61 7.412 15.676 10.906 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.684 16.303 12.123 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.456 15.232 10.090 1.00 10.68 C ATOM 944 CE1 TYR A 61 9.006 16.485 12.530 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.778 15.413 10.496 1.00 13.03 C ATOM 946 CZ TYR A 61 10.051 16.040 11.714 1.00 11.06 C ATOM 947 OH TYR A 61 11.358 16.207 12.122 1.00 14.61 O ATOM 0 H TYR A 61 4.071 17.208 11.701 1.00 11.12 H new ATOM 0 HA TYR A 61 6.243 17.501 9.683 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.393 15.057 11.253 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.935 14.840 9.601 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.873 16.646 12.748 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.240 14.750 9.148 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.222 16.968 13.472 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.588 15.069 9.870 1.00 13.03 H new ATOM 0 HH TYR A 61 11.392 16.249 13.101 1.00 14.61 H new ATOM 957 N THR A 62 4.781 16.466 7.867 1.00 12.22 N ATOM 958 CA THR A 62 3.841 16.275 6.752 1.00 14.26 C ATOM 959 C THR A 62 4.444 15.220 5.851 1.00 15.40 C ATOM 960 O THR A 62 5.541 15.371 5.349 1.00 16.24 O ATOM 961 CB THR A 62 3.672 17.574 5.979 1.00 15.07 C ATOM 962 OG1 THR A 62 4.901 17.913 5.350 1.00 18.36 O ATOM 963 CG2 THR A 62 3.263 18.683 6.944 1.00 11.61 C ATOM 0 H THR A 62 5.764 16.365 7.615 1.00 12.22 H new ATOM 0 HA THR A 62 2.860 15.972 7.118 1.00 14.26 H new ATOM 0 HB THR A 62 2.901 17.453 5.218 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.292 17.112 4.943 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.141 19.616 6.395 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.321 18.418 7.424 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.035 18.808 7.703 1.00 11.61 H new ATOM 971 N VAL A 63 3.764 14.144 5.658 1.00 14.65 N ATOM 972 CA VAL A 63 4.340 13.084 4.806 1.00 15.17 C ATOM 973 C VAL A 63 4.801 13.703 3.493 1.00 14.24 C ATOM 974 O VAL A 63 4.544 14.857 3.213 1.00 19.13 O ATOM 975 CB VAL A 63 3.309 11.996 4.550 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.027 10.756 4.029 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.590 11.657 5.862 1.00 18.64 C ATOM 0 H VAL A 63 2.842 13.949 6.047 1.00 14.65 H new ATOM 0 HA VAL A 63 5.192 12.629 5.311 1.00 15.17 H new ATOM 0 HB VAL A 63 2.578 12.338 3.817 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.299 9.966 3.841 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.547 10.999 3.102 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.749 10.415 4.771 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.850 10.877 5.681 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.316 11.305 6.594 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.092 12.548 6.244 1.00 18.64 H new ATOM 987 N HIS A 64 5.493 12.953 2.693 1.00 13.31 N ATOM 988 CA HIS A 64 5.986 13.506 1.404 1.00 10.78 C ATOM 989 C HIS A 64 5.729 12.490 0.287 1.00 14.19 C ATOM 990 O HIS A 64 6.139 11.345 0.373 1.00 11.59 O ATOM 991 CB HIS A 64 7.488 13.782 1.517 1.00 11.86 C ATOM 992 CG HIS A 64 7.888 14.847 0.532 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.239 15.015 -0.680 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.883 15.793 0.558 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.846 16.019 -1.332 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.856 16.532 -0.622 1.00 20.65 N ATOM 0 H HIS A 64 5.740 11.980 2.873 1.00 13.31 H new ATOM 0 HA HIS A 64 5.463 14.434 1.174 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.733 14.101 2.530 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.050 12.868 1.326 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.580 15.941 1.370 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.554 16.370 -2.311 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.474 17.299 -0.887 1.00 20.65 H new ATOM 1004 N LEU A 65 5.053 12.898 -0.760 1.00 12.93 N ATOM 1005 CA LEU A 65 4.769 11.959 -1.880 1.00 14.44 C ATOM 1006 C LEU A 65 6.064 11.652 -2.637 1.00 12.66 C ATOM 1007 O LEU A 65 6.081 10.854 -3.553 1.00 10.20 O ATOM 1008 CB LEU A 65 3.722 12.579 -2.821 1.00 14.94 C ATOM 1009 CG LEU A 65 4.397 13.381 -3.924 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.444 12.543 -5.204 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.611 14.666 -4.180 1.00 19.03 C ATOM 0 H LEU A 65 4.687 13.842 -0.883 1.00 12.93 H new ATOM 0 HA LEU A 65 4.370 11.025 -1.483 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.109 11.792 -3.260 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.052 13.225 -2.253 1.00 14.94 H new ATOM 0 HG LEU A 65 5.412 13.637 -3.619 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.927 13.115 -5.996 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.009 11.629 -5.020 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.429 12.287 -5.509 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.097 15.238 -4.970 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.595 14.416 -4.485 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.580 15.261 -3.268 1.00 19.03 H new ATOM 1023 N SER A 66 7.154 12.265 -2.255 1.00 13.51 N ATOM 1024 CA SER A 66 8.433 11.982 -2.951 1.00 10.39 C ATOM 1025 C SER A 66 8.711 10.486 -2.838 1.00 8.56 C ATOM 1026 O SER A 66 9.520 9.932 -3.555 1.00 11.70 O ATOM 1027 CB SER A 66 9.564 12.767 -2.285 1.00 12.88 C ATOM 1028 OG SER A 66 10.737 11.963 -2.251 1.00 14.72 O ATOM 0 H SER A 66 7.209 12.944 -1.496 1.00 13.51 H new ATOM 0 HA SER A 66 8.369 12.278 -3.998 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.756 13.688 -2.835 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.276 13.054 -1.274 1.00 12.88 H new ATOM 0 HG SER A 66 11.465 12.464 -1.826 1.00 14.72 H new ATOM 1034 N SER A 67 8.042 9.834 -1.926 1.00 7.98 N ATOM 1035 CA SER A 67 8.256 8.376 -1.738 1.00 8.20 C ATOM 1036 C SER A 67 7.123 7.576 -2.391 1.00 11.02 C ATOM 1037 O SER A 67 7.191 6.368 -2.484 1.00 11.45 O ATOM 1038 CB SER A 67 8.283 8.068 -0.247 1.00 8.01 C ATOM 1039 OG SER A 67 9.633 7.963 0.186 1.00 11.22 O ATOM 0 H SER A 67 7.353 10.253 -1.301 1.00 7.98 H new ATOM 0 HA SER A 67 9.201 8.095 -2.204 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.771 8.854 0.308 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.751 7.138 -0.046 1.00 8.01 H new ATOM 0 HG SER A 67 9.716 7.223 0.823 1.00 11.22 H new ATOM 1045 N PHE A 68 6.075 8.226 -2.825 1.00 10.09 N ATOM 1046 CA PHE A 68 4.938 7.481 -3.443 1.00 11.79 C ATOM 1047 C PHE A 68 5.339 6.969 -4.826 1.00 12.69 C ATOM 1048 O PHE A 68 6.310 7.407 -5.409 1.00 14.25 O ATOM 1049 CB PHE A 68 3.725 8.412 -3.581 1.00 10.08 C ATOM 1050 CG PHE A 68 3.383 9.043 -2.248 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.098 8.709 -1.085 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.361 9.997 -2.184 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.787 9.331 0.129 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.056 10.620 -0.971 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.769 10.288 0.184 1.00 11.87 C ATOM 0 H PHE A 68 5.957 9.238 -2.779 1.00 10.09 H new ATOM 0 HA PHE A 68 4.681 6.635 -2.805 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.939 9.190 -4.314 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.869 7.850 -3.954 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.887 7.973 -1.128 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.806 10.252 -3.075 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.333 9.072 1.024 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.269 11.358 -0.926 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.533 10.771 1.121 1.00 11.87 H new ATOM 1065 N LYS A 69 4.586 6.044 -5.353 1.00 12.51 N ATOM 1066 CA LYS A 69 4.901 5.494 -6.700 1.00 15.38 C ATOM 1067 C LYS A 69 3.595 5.145 -7.411 1.00 15.02 C ATOM 1068 O LYS A 69 2.521 5.275 -6.857 1.00 15.36 O ATOM 1069 CB LYS A 69 5.756 4.234 -6.553 1.00 16.04 C ATOM 1070 CG LYS A 69 5.155 3.331 -5.474 1.00 20.35 C ATOM 1071 CD LYS A 69 5.663 1.901 -5.663 1.00 21.35 C ATOM 1072 CE LYS A 69 4.542 1.033 -6.238 1.00 30.24 C ATOM 1073 NZ LYS A 69 5.104 -0.274 -6.682 1.00 32.70 N ATOM 0 H LYS A 69 3.761 5.644 -4.906 1.00 12.51 H new ATOM 0 HA LYS A 69 5.452 6.234 -7.281 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.803 3.701 -7.503 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.778 4.504 -6.288 1.00 16.04 H new ATOM 0 HG2 LYS A 69 5.429 3.697 -4.485 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.067 3.352 -5.532 1.00 20.35 H new ATOM 0 HD2 LYS A 69 6.522 1.895 -6.333 1.00 21.35 H new ATOM 0 HD3 LYS A 69 6.000 1.494 -4.709 1.00 21.35 H new ATOM 0 HE2 LYS A 69 3.770 0.872 -5.486 1.00 30.24 H new ATOM 0 HE3 LYS A 69 4.068 1.541 -7.078 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 4.342 -0.865 -7.073 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 5.826 -0.111 -7.413 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 5.537 -0.760 -5.870 1.00 32.70 H new ATOM 1087 N VAL A 70 3.676 4.703 -8.632 1.00 13.65 N ATOM 1088 CA VAL A 70 2.436 4.345 -9.374 1.00 13.49 C ATOM 1089 C VAL A 70 2.565 2.923 -9.920 1.00 11.85 C ATOM 1090 O VAL A 70 3.651 2.399 -10.068 1.00 12.13 O ATOM 1091 CB VAL A 70 2.225 5.330 -10.528 1.00 14.48 C ATOM 1092 CG1 VAL A 70 3.210 5.023 -11.659 1.00 14.02 C ATOM 1093 CG2 VAL A 70 0.791 5.203 -11.050 1.00 15.63 C ATOM 0 H VAL A 70 4.546 4.574 -9.149 1.00 13.65 H new ATOM 0 HA VAL A 70 1.580 4.396 -8.702 1.00 13.49 H new ATOM 0 HB VAL A 70 2.395 6.345 -10.170 1.00 14.48 H new ATOM 0 HG11 VAL A 70 3.055 5.727 -12.477 1.00 14.02 H new ATOM 0 HG12 VAL A 70 4.231 5.116 -11.288 1.00 14.02 H new ATOM 0 HG13 VAL A 70 3.046 4.007 -12.018 1.00 14.02 H new ATOM 0 HG21 VAL A 70 0.639 5.903 -11.871 1.00 15.63 H new ATOM 0 HG22 VAL A 70 0.621 4.186 -11.404 1.00 15.63 H new ATOM 0 HG23 VAL A 70 0.090 5.429 -10.246 1.00 15.63 H new ATOM 1103 N GLY A 71 1.464 2.291 -10.215 1.00 11.15 N ATOM 1104 CA GLY A 71 1.521 0.900 -10.745 1.00 11.07 C ATOM 1105 C GLY A 71 0.604 0.003 -9.914 1.00 12.15 C ATOM 1106 O GLY A 71 -0.477 0.394 -9.528 1.00 12.70 O ATOM 0 H GLY A 71 0.526 2.678 -10.112 1.00 11.15 H new ATOM 0 HA2 GLY A 71 1.213 0.884 -11.791 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.544 0.527 -10.708 1.00 11.07 H new ATOM 1110 N GLN A 72 1.026 -1.198 -9.632 1.00 15.78 N ATOM 1111 CA GLN A 72 0.171 -2.113 -8.826 1.00 19.42 C ATOM 1112 C GLN A 72 -1.179 -2.289 -9.521 1.00 16.97 C ATOM 1113 O GLN A 72 -2.216 -1.960 -8.981 1.00 20.46 O ATOM 1114 CB GLN A 72 -0.045 -1.519 -7.432 1.00 22.64 C ATOM 1115 CG GLN A 72 -0.825 -2.512 -6.569 1.00 25.29 C ATOM 1116 CD GLN A 72 -0.070 -3.841 -6.509 1.00 26.29 C ATOM 1117 OE1 GLN A 72 0.806 -4.018 -5.686 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -0.373 -4.788 -7.354 1.00 25.15 N ATOM 0 H GLN A 72 1.924 -1.585 -9.924 1.00 15.78 H new ATOM 0 HA GLN A 72 0.662 -3.082 -8.733 1.00 19.42 H new ATOM 0 HB2 GLN A 72 0.915 -1.294 -6.968 1.00 22.64 H new ATOM 0 HB3 GLN A 72 -0.591 -0.579 -7.507 1.00 22.64 H new ATOM 0 HG2 GLN A 72 -0.957 -2.111 -5.564 1.00 25.29 H new ATOM 0 HG3 GLN A 72 -1.821 -2.666 -6.984 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -1.109 -4.639 -8.045 1.00 25.15 H new ATOM 0 HE22 GLN A 72 0.126 -5.677 -7.324 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.168 -2.801 -10.721 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.444 -2.999 -11.465 1.00 14.60 C ATOM 1129 C PHE A 73 -2.974 -1.644 -11.938 1.00 15.63 C ATOM 1130 O PHE A 73 -4.025 -1.554 -12.540 1.00 17.80 O ATOM 1131 CB PHE A 73 -3.474 -3.664 -10.550 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.825 -5.022 -11.103 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.850 -5.151 -12.048 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -3.126 -6.156 -10.671 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -5.175 -6.412 -12.561 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -3.451 -7.417 -11.184 1.00 20.44 C ATOM 1137 CZ PHE A 73 -4.476 -7.545 -12.128 1.00 17.88 C ATOM 0 H PHE A 73 -0.327 -3.092 -11.220 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.265 -3.639 -12.329 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -3.073 -3.762 -9.541 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -4.368 -3.045 -10.479 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -5.390 -4.277 -12.381 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -2.336 -6.057 -9.942 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -5.965 -6.511 -13.291 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -2.911 -8.291 -10.851 1.00 20.44 H new ATOM 0 HZ PHE A 73 -4.728 -8.518 -12.523 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.249 -0.591 -11.678 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.706 0.756 -12.120 1.00 13.44 C ATOM 1149 C GLY A 74 -3.260 1.537 -10.927 1.00 10.42 C ATOM 1150 O GLY A 74 -4.378 2.013 -10.951 1.00 13.62 O ATOM 0 H GLY A 74 -1.360 -0.605 -11.178 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -1.876 1.302 -12.569 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.473 0.655 -12.887 1.00 13.44 H new ATOM 1154 N SER A 75 -2.489 1.677 -9.884 1.00 12.64 N ATOM 1155 CA SER A 75 -2.977 2.432 -8.694 1.00 12.47 C ATOM 1156 C SER A 75 -1.791 3.069 -7.962 1.00 12.47 C ATOM 1157 O SER A 75 -0.703 2.528 -7.933 1.00 11.32 O ATOM 1158 CB SER A 75 -3.703 1.475 -7.748 1.00 11.21 C ATOM 1159 OG SER A 75 -4.159 2.194 -6.610 1.00 18.27 O ATOM 0 H SER A 75 -1.544 1.302 -9.804 1.00 12.64 H new ATOM 0 HA SER A 75 -3.662 3.215 -9.020 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.545 1.009 -8.260 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.033 0.672 -7.440 1.00 11.21 H new ATOM 0 HG SER A 75 -4.626 1.583 -6.003 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.995 4.214 -7.364 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.882 4.883 -6.629 1.00 12.18 C ATOM 1167 C LEU A 76 -0.382 3.955 -5.521 1.00 12.07 C ATOM 1168 O LEU A 76 -1.036 2.994 -5.169 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.392 6.187 -6.010 1.00 11.99 C ATOM 1170 CG LEU A 76 -0.346 7.287 -6.200 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.305 7.707 -7.671 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.716 8.494 -5.334 1.00 7.80 C ATOM 0 H LEU A 76 -2.884 4.714 -7.353 1.00 12.43 H new ATOM 0 HA LEU A 76 -0.067 5.103 -7.318 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -2.332 6.480 -6.477 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.595 6.043 -4.949 1.00 11.99 H new ATOM 0 HG LEU A 76 0.634 6.912 -5.904 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.441 8.491 -7.805 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.043 6.847 -8.288 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.284 8.083 -7.970 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.028 9.279 -5.468 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.696 8.868 -5.631 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.744 8.195 -4.286 1.00 7.80 H new ATOM 1184 N MET A 77 0.769 4.230 -4.965 1.00 14.08 N ATOM 1185 CA MET A 77 1.294 3.350 -3.882 1.00 14.12 C ATOM 1186 C MET A 77 2.437 4.050 -3.146 1.00 11.37 C ATOM 1187 O MET A 77 3.545 4.141 -3.637 1.00 11.44 O ATOM 1188 CB MET A 77 1.810 2.045 -4.487 1.00 16.48 C ATOM 1189 CG MET A 77 0.636 1.103 -4.754 1.00 24.75 C ATOM 1190 SD MET A 77 1.181 -0.612 -4.557 1.00 35.11 S ATOM 1191 CE MET A 77 0.995 -0.705 -2.759 1.00 33.86 C ATOM 0 H MET A 77 1.364 5.021 -5.213 1.00 14.08 H new ATOM 0 HA MET A 77 0.489 3.137 -3.178 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.344 2.249 -5.415 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.520 1.574 -3.808 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.180 1.318 -4.065 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.252 1.260 -5.762 1.00 24.75 H new ATOM 0 HE1 MET A 77 1.283 -1.698 -2.414 1.00 33.86 H new ATOM 0 HE2 MET A 77 1.634 0.042 -2.288 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.044 -0.515 -2.490 1.00 33.86 H new ATOM 1201 N ILE A 78 2.173 4.536 -1.967 1.00 11.78 N ATOM 1202 CA ILE A 78 3.238 5.226 -1.177 1.00 11.62 C ATOM 1203 C ILE A 78 4.549 4.438 -1.295 1.00 11.45 C ATOM 1204 O ILE A 78 5.532 4.917 -1.818 1.00 12.59 O ATOM 1205 CB ILE A 78 2.795 5.315 0.295 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.004 6.608 0.505 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.010 5.315 1.225 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.949 6.390 1.593 1.00 13.67 C ATOM 0 H ILE A 78 1.262 4.487 -1.511 1.00 11.78 H new ATOM 0 HA ILE A 78 3.398 6.233 -1.562 1.00 11.62 H new ATOM 0 HB ILE A 78 2.174 4.450 0.527 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.677 7.416 0.793 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.524 6.909 -0.426 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.676 5.378 2.260 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.577 4.395 1.083 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.644 6.171 0.995 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.385 7.311 1.743 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.270 5.594 1.287 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.440 6.109 2.525 1.00 13.67 H new ATOM 1220 N ASP A 79 4.546 3.237 -0.801 1.00 10.05 N ATOM 1221 CA ASP A 79 5.760 2.363 -0.850 1.00 14.79 C ATOM 1222 C ASP A 79 6.676 2.667 0.337 1.00 15.20 C ATOM 1223 O ASP A 79 7.166 1.776 1.003 1.00 18.10 O ATOM 1224 CB ASP A 79 6.511 2.599 -2.157 1.00 12.21 C ATOM 1225 CG ASP A 79 7.478 1.442 -2.410 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.447 0.492 -1.645 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.234 1.525 -3.364 1.00 21.87 O ATOM 0 H ASP A 79 3.736 2.808 -0.353 1.00 10.05 H new ATOM 0 HA ASP A 79 5.449 1.320 -0.797 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.805 2.683 -2.983 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.059 3.540 -2.108 1.00 12.21 H new ATOM 1232 N ARG A 80 6.901 3.915 0.607 1.00 17.08 N ATOM 1233 CA ARG A 80 7.777 4.299 1.755 1.00 17.14 C ATOM 1234 C ARG A 80 7.682 5.806 1.953 1.00 14.98 C ATOM 1235 O ARG A 80 8.621 6.544 1.738 1.00 16.47 O ATOM 1236 CB ARG A 80 9.225 3.900 1.463 1.00 17.78 C ATOM 1237 CG ARG A 80 9.978 3.716 2.781 1.00 22.76 C ATOM 1238 CD ARG A 80 10.891 4.919 3.020 1.00 28.43 C ATOM 1239 NE ARG A 80 12.280 4.581 2.598 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.164 5.528 2.427 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.836 6.776 2.626 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.377 5.225 2.056 1.00 35.04 N ATOM 0 H ARG A 80 6.515 4.699 0.080 1.00 17.08 H new ATOM 0 HA ARG A 80 7.452 3.784 2.659 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.250 2.976 0.886 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.710 4.666 0.859 1.00 17.78 H new ATOM 0 HG2 ARG A 80 9.271 3.613 3.604 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.567 2.799 2.750 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.529 5.781 2.459 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.877 5.196 4.074 1.00 28.43 H new ATOM 0 HE ARG A 80 12.541 3.607 2.442 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.887 7.014 2.916 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.528 7.513 2.492 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.634 4.250 1.900 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.069 5.963 1.922 1.00 35.04 H new ATOM 1256 N LEU A 81 6.533 6.246 2.357 1.00 11.03 N ATOM 1257 CA LEU A 81 6.277 7.692 2.572 1.00 11.27 C ATOM 1258 C LEU A 81 7.499 8.396 3.178 1.00 15.61 C ATOM 1259 O LEU A 81 8.063 7.959 4.160 1.00 18.56 O ATOM 1260 CB LEU A 81 5.055 7.832 3.485 1.00 13.62 C ATOM 1261 CG LEU A 81 5.484 7.975 4.945 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.244 8.183 5.816 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.209 6.697 5.385 1.00 18.72 C ATOM 0 H LEU A 81 5.733 5.645 2.554 1.00 11.03 H new ATOM 0 HA LEU A 81 6.083 8.173 1.613 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.469 8.701 3.186 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.410 6.960 3.374 1.00 13.62 H new ATOM 0 HG LEU A 81 6.152 8.829 5.052 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.545 8.286 6.859 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.723 9.086 5.498 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.579 7.326 5.713 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.517 6.794 6.426 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.538 5.844 5.283 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.088 6.543 4.759 1.00 18.72 H new ATOM 1275 N ARG A 82 7.886 9.503 2.607 1.00 13.37 N ATOM 1276 CA ARG A 82 9.041 10.264 3.157 1.00 12.72 C ATOM 1277 C ARG A 82 8.490 11.368 4.060 1.00 13.33 C ATOM 1278 O ARG A 82 7.914 12.332 3.597 1.00 13.27 O ATOM 1279 CB ARG A 82 9.844 10.885 2.012 1.00 13.85 C ATOM 1280 CG ARG A 82 10.856 11.883 2.580 1.00 16.22 C ATOM 1281 CD ARG A 82 11.735 11.186 3.619 1.00 16.62 C ATOM 1282 NE ARG A 82 13.168 11.559 3.398 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.717 11.476 2.212 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.090 10.892 1.225 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.925 11.932 2.028 1.00 16.89 N ATOM 0 H ARG A 82 7.451 9.914 1.781 1.00 13.37 H new ATOM 0 HA ARG A 82 9.697 9.602 3.723 1.00 12.72 H new ATOM 0 HB2 ARG A 82 10.361 10.106 1.452 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.174 11.388 1.315 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.474 12.286 1.778 1.00 16.22 H new ATOM 0 HG3 ARG A 82 10.335 12.725 3.035 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.425 11.473 4.624 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.615 10.105 3.545 1.00 16.62 H new ATOM 0 HE ARG A 82 13.728 11.884 4.186 1.00 15.85 H new ATOM 0 HH11 ARG A 82 12.162 10.495 1.374 1.00 20.55 H new ATOM 0 HH12 ARG A 82 13.528 10.834 0.306 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.436 12.350 2.805 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.359 11.870 1.107 1.00 16.89 H new ATOM 1299 N LEU A 83 8.628 11.220 5.347 1.00 13.53 N ATOM 1300 CA LEU A 83 8.075 12.247 6.276 1.00 13.86 C ATOM 1301 C LEU A 83 8.963 13.489 6.319 1.00 13.02 C ATOM 1302 O LEU A 83 10.171 13.419 6.205 1.00 14.40 O ATOM 1303 CB LEU A 83 7.972 11.673 7.688 1.00 9.93 C ATOM 1304 CG LEU A 83 6.540 11.817 8.200 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.512 11.523 9.703 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.054 13.248 7.955 1.00 10.58 C ATOM 0 H LEU A 83 9.099 10.435 5.797 1.00 13.53 H new ATOM 0 HA LEU A 83 7.088 12.527 5.908 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.264 10.623 7.686 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.660 12.194 8.354 1.00 9.93 H new ATOM 0 HG LEU A 83 5.890 11.117 7.675 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.492 11.624 10.075 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.864 10.507 9.882 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.160 12.228 10.224 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.032 13.353 8.320 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.701 13.948 8.484 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.082 13.464 6.887 1.00 10.58 H new ATOM 1318 N VAL A 84 8.353 14.626 6.497 1.00 11.81 N ATOM 1319 CA VAL A 84 9.106 15.897 6.570 1.00 12.86 C ATOM 1320 C VAL A 84 8.359 16.834 7.527 1.00 14.98 C ATOM 1321 O VAL A 84 7.172 16.682 7.722 1.00 13.59 O ATOM 1322 CB VAL A 84 9.152 16.513 5.172 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.724 15.496 4.183 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.736 16.905 4.741 1.00 17.34 C ATOM 0 H VAL A 84 7.343 14.725 6.596 1.00 11.81 H new ATOM 0 HA VAL A 84 10.123 15.734 6.928 1.00 12.86 H new ATOM 0 HB VAL A 84 9.786 17.399 5.187 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.756 15.936 3.186 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.732 15.218 4.490 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.092 14.608 4.167 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.768 17.344 3.744 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.102 16.019 4.727 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.329 17.631 5.445 1.00 17.34 H new ATOM 1334 N PRO A 85 9.060 17.783 8.084 1.00 18.65 N ATOM 1335 CA PRO A 85 8.460 18.763 9.008 1.00 22.41 C ATOM 1336 C PRO A 85 7.417 19.621 8.276 1.00 25.70 C ATOM 1337 O PRO A 85 7.578 19.956 7.119 1.00 22.08 O ATOM 1338 CB PRO A 85 9.655 19.578 9.505 1.00 21.19 C ATOM 1339 CG PRO A 85 10.769 19.362 8.469 1.00 18.95 C ATOM 1340 CD PRO A 85 10.495 17.985 7.841 1.00 20.63 C ATOM 0 HA PRO A 85 7.918 18.308 9.837 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.400 20.634 9.590 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.971 19.246 10.494 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.757 20.146 7.712 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.752 19.389 8.940 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.728 17.975 6.776 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.096 17.204 8.306 1.00 20.63 H new ATOM 1348 N ALA A 86 6.340 19.962 8.937 1.00 31.74 N ATOM 1349 CA ALA A 86 5.276 20.778 8.277 1.00 39.94 C ATOM 1350 C ALA A 86 5.771 22.215 8.100 1.00 46.96 C ATOM 1351 O ALA A 86 6.007 22.922 9.059 1.00 49.29 O ATOM 1352 CB ALA A 86 4.018 20.774 9.151 1.00 39.70 C ATOM 0 H ALA A 86 6.151 19.710 9.907 1.00 31.74 H new ATOM 0 HA ALA A 86 5.043 20.353 7.301 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.240 21.369 8.672 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.666 19.750 9.277 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.251 21.200 10.127 1.00 39.70 H new ATOM 1358 N LYS A 87 5.930 22.652 6.881 1.00 51.78 N ATOM 1359 CA LYS A 87 6.411 24.043 6.646 1.00 55.12 C ATOM 1360 C LYS A 87 5.399 25.037 7.221 1.00 55.82 C ATOM 1361 O LYS A 87 4.219 24.729 7.203 1.00 58.05 O ATOM 1362 CB LYS A 87 6.564 24.284 5.143 1.00 52.96 C ATOM 1363 CG LYS A 87 7.835 23.595 4.641 1.00 55.49 C ATOM 1364 CD LYS A 87 9.044 24.128 5.412 1.00 56.64 C ATOM 1365 CE LYS A 87 10.183 24.424 4.434 1.00 58.91 C ATOM 1366 NZ LYS A 87 10.500 25.881 4.464 1.00 58.16 N ATOM 1367 OXT LYS A 87 5.822 26.090 7.670 1.00 57.66 O ATOM 0 H LYS A 87 5.748 22.107 6.038 1.00 51.78 H new ATOM 0 HA LYS A 87 7.375 24.181 7.136 1.00 55.12 H new ATOM 0 HB2 LYS A 87 5.694 23.897 4.612 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.613 25.354 4.939 1.00 52.96 H new ATOM 0 HG2 LYS A 87 7.753 22.516 4.773 1.00 55.49 H new ATOM 0 HG3 LYS A 87 7.962 23.776 3.574 1.00 55.49 H new ATOM 0 HD2 LYS A 87 8.772 25.033 5.955 1.00 56.64 H new ATOM 0 HD3 LYS A 87 9.367 23.397 6.153 1.00 56.64 H new ATOM 0 HE2 LYS A 87 11.066 23.844 4.701 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.898 24.124 3.426 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 11.274 26.082 3.799 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.658 26.425 4.189 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 10.790 26.154 5.425 1.00 58.16 H new ATOM 1382 N MET B 1 1.454 17.484 -2.828 1.00 42.32 N ATOM 1383 CA MET B 1 0.011 17.159 -3.010 1.00 40.89 C ATOM 1384 C MET B 1 -0.129 16.005 -4.002 1.00 34.75 C ATOM 1385 O MET B 1 -1.202 15.469 -4.197 1.00 33.97 O ATOM 1386 CB MET B 1 -0.727 18.393 -3.554 1.00 48.45 C ATOM 1387 CG MET B 1 -0.447 18.552 -5.054 1.00 56.13 C ATOM 1388 SD MET B 1 0.120 20.239 -5.385 1.00 64.91 S ATOM 1389 CE MET B 1 1.793 20.051 -4.722 1.00 63.43 C ATOM 0 H1 MET B 1 1.545 18.361 -2.276 1.00 42.32 H new ATOM 0 H2 MET B 1 1.924 16.706 -2.322 1.00 42.32 H new ATOM 0 H3 MET B 1 1.901 17.612 -3.758 1.00 42.32 H new ATOM 0 HA MET B 1 -0.420 16.870 -2.052 1.00 40.89 H new ATOM 0 HB2 MET B 1 -1.799 18.290 -3.385 1.00 48.45 H new ATOM 0 HB3 MET B 1 -0.404 19.286 -3.019 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.309 17.834 -5.372 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.349 18.341 -5.628 1.00 56.13 H new ATOM 0 HE1 MET B 1 2.408 20.892 -5.043 1.00 63.43 H new ATOM 0 HE2 MET B 1 1.752 20.026 -3.633 1.00 63.43 H new ATOM 0 HE3 MET B 1 2.228 19.122 -5.090 1.00 63.43 H new ATOM 1401 N ILE B 2 0.941 15.630 -4.646 1.00 28.59 N ATOM 1402 CA ILE B 2 0.851 14.528 -5.639 1.00 24.58 C ATOM 1403 C ILE B 2 0.068 15.055 -6.839 1.00 19.29 C ATOM 1404 O ILE B 2 -1.115 14.820 -6.981 1.00 19.53 O ATOM 1405 CB ILE B 2 0.123 13.338 -5.020 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.613 13.125 -3.588 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.415 12.082 -5.838 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.537 12.595 -2.741 1.00 33.80 C ATOM 0 H ILE B 2 1.869 16.038 -4.527 1.00 28.59 H new ATOM 0 HA ILE B 2 1.844 14.200 -5.946 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.949 13.535 -5.015 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.445 12.420 -3.576 1.00 28.92 H new ATOM 0 HG13 ILE B 2 0.984 14.063 -3.174 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.105 11.231 -5.397 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.070 12.226 -6.862 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.488 11.890 -5.840 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.194 12.441 -1.718 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.354 13.316 -2.745 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.886 11.648 -3.153 1.00 33.80 H new ATOM 1420 N LYS B 3 0.720 15.807 -7.678 1.00 18.14 N ATOM 1421 CA LYS B 3 0.029 16.411 -8.852 1.00 16.66 C ATOM 1422 C LYS B 3 -0.523 15.344 -9.790 1.00 14.94 C ATOM 1423 O LYS B 3 -0.102 14.205 -9.787 1.00 13.94 O ATOM 1424 CB LYS B 3 1.007 17.303 -9.616 1.00 16.94 C ATOM 1425 CG LYS B 3 0.867 18.747 -9.128 1.00 17.85 C ATOM 1426 CD LYS B 3 0.602 19.667 -10.321 1.00 19.63 C ATOM 1427 CE LYS B 3 1.708 20.720 -10.409 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.726 20.287 -11.407 1.00 32.72 N ATOM 0 H LYS B 3 1.712 16.032 -7.601 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.809 17.001 -8.482 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.029 16.954 -9.465 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.806 17.248 -10.686 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.051 18.821 -8.410 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.775 19.057 -8.611 1.00 17.85 H new ATOM 0 HD2 LYS B 3 0.566 19.085 -11.242 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -0.368 20.152 -10.212 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.286 21.683 -10.698 1.00 26.28 H new ATOM 0 HE3 LYS B 3 2.174 20.856 -9.433 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 3.479 21.002 -11.468 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 3.136 19.377 -11.113 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.275 20.179 -12.338 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.474 15.731 -10.597 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.093 14.784 -11.557 1.00 12.99 C ATOM 1444 C VAL B 4 -2.788 15.581 -12.664 1.00 14.26 C ATOM 1445 O VAL B 4 -2.961 16.779 -12.566 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.122 13.918 -10.827 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.784 12.955 -11.814 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.434 13.121 -9.716 1.00 10.41 C ATOM 0 H VAL B 4 -1.851 16.678 -10.629 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.326 14.143 -11.991 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.883 14.564 -10.389 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.515 12.341 -11.288 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.284 13.524 -12.598 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.025 12.313 -12.260 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.171 12.506 -9.199 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.667 12.480 -10.150 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -1.974 13.809 -9.006 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.187 14.924 -13.714 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.870 15.634 -14.830 1.00 10.51 C ATOM 1460 C GLU B 5 -4.782 14.667 -15.563 1.00 10.00 C ATOM 1461 O GLU B 5 -4.357 13.893 -16.395 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.827 16.188 -15.796 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.291 17.500 -15.235 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.306 18.122 -16.227 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.747 18.887 -17.068 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -0.127 17.823 -16.127 1.00 22.12 O ATOM 0 H GLU B 5 -3.069 13.920 -13.849 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.463 16.456 -14.429 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.015 15.473 -15.926 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.270 16.350 -16.779 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.114 18.189 -15.045 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.797 17.323 -14.280 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.039 14.714 -15.269 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.981 13.801 -15.969 1.00 10.60 C ATOM 1475 C ILE B 6 -7.098 14.275 -17.424 1.00 10.16 C ATOM 1476 O ILE B 6 -7.758 15.250 -17.718 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.347 13.815 -15.258 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.317 12.811 -14.101 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.456 13.412 -16.226 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.069 13.544 -12.782 1.00 13.81 C ATOM 0 H ILE B 6 -6.460 15.338 -14.580 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.618 12.774 -15.952 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.542 14.822 -14.888 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.261 12.269 -14.054 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.534 12.072 -14.269 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.415 13.427 -15.708 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.483 14.113 -17.060 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.263 12.408 -16.603 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.049 12.824 -11.964 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.113 14.066 -12.830 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.868 14.265 -12.611 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.442 13.598 -18.334 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.494 14.011 -19.762 1.00 11.59 C ATOM 1494 C LYS B 7 -7.949 14.028 -20.231 1.00 12.98 C ATOM 1495 O LYS B 7 -8.805 13.447 -19.594 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.687 13.002 -20.585 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.311 12.816 -19.953 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.260 13.551 -20.787 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.244 15.031 -20.402 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.192 15.865 -21.636 1.00 25.43 N ATOM 0 H LYS B 7 -5.872 12.774 -18.144 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.073 15.009 -19.887 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.212 12.048 -20.627 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.583 13.354 -21.611 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.313 13.199 -18.933 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.067 11.755 -19.894 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -2.277 13.111 -20.621 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.483 13.443 -21.849 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -4.133 15.276 -19.822 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.382 15.244 -19.770 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.181 16.872 -21.375 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.331 15.637 -22.173 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.028 15.669 -22.223 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.190 14.682 -21.339 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.540 14.769 -21.912 1.00 11.93 C ATOM 1516 C PRO B 8 -9.921 13.416 -22.505 1.00 10.20 C ATOM 1517 O PRO B 8 -11.066 13.159 -22.820 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.417 15.859 -22.981 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.916 15.951 -23.334 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.150 15.377 -22.127 1.00 13.61 C ATOM 0 HA PRO B 8 -10.318 15.012 -21.189 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.009 15.609 -23.861 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.788 16.814 -22.608 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.694 15.386 -24.239 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.624 16.984 -23.524 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.364 14.691 -22.443 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.671 16.166 -21.547 1.00 13.61 H new ATOM 1528 N SER B 9 -8.966 12.538 -22.627 1.00 10.65 N ATOM 1529 CA SER B 9 -9.262 11.184 -23.161 1.00 10.83 C ATOM 1530 C SER B 9 -9.308 10.203 -21.987 1.00 10.94 C ATOM 1531 O SER B 9 -9.292 9.001 -22.164 1.00 13.16 O ATOM 1532 CB SER B 9 -8.163 10.764 -24.138 1.00 13.01 C ATOM 1533 OG SER B 9 -8.354 9.403 -24.503 1.00 15.52 O ATOM 0 H SER B 9 -7.990 12.702 -22.379 1.00 10.65 H new ATOM 0 HA SER B 9 -10.217 11.188 -23.686 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.187 11.397 -25.025 1.00 13.01 H new ATOM 0 HB3 SER B 9 -7.183 10.895 -23.679 1.00 13.01 H new ATOM 0 HG SER B 9 -8.910 8.959 -23.829 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.360 10.715 -20.782 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.401 9.827 -19.590 1.00 11.55 C ATOM 1541 C GLN B 10 -10.322 10.436 -18.533 1.00 13.72 C ATOM 1542 O GLN B 10 -10.057 10.351 -17.352 1.00 17.31 O ATOM 1543 CB GLN B 10 -7.999 9.694 -19.000 1.00 6.60 C ATOM 1544 CG GLN B 10 -6.966 9.723 -20.121 1.00 7.20 C ATOM 1545 CD GLN B 10 -6.954 8.375 -20.843 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -7.905 7.622 -20.766 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -5.910 8.035 -21.547 1.00 4.80 N ATOM 0 H GLN B 10 -9.376 11.714 -20.577 1.00 10.02 H new ATOM 0 HA GLN B 10 -9.772 8.846 -19.888 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -7.811 10.506 -18.298 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -7.916 8.763 -18.440 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.201 10.522 -20.825 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -5.978 9.937 -19.713 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.111 8.666 -21.612 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -5.892 7.138 -22.032 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.391 11.065 -18.938 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.304 11.689 -17.937 1.00 18.95 C ATOM 1558 C ALA B 11 -13.648 10.959 -17.918 1.00 20.75 C ATOM 1559 O ALA B 11 -14.687 11.559 -17.726 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.528 13.157 -18.300 1.00 17.72 C ATOM 0 H ALA B 11 -11.671 11.174 -19.913 1.00 15.28 H new ATOM 0 HA ALA B 11 -11.849 11.618 -16.949 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.195 13.615 -17.570 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.573 13.682 -18.298 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -12.976 13.222 -19.291 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.640 9.670 -18.109 1.00 22.50 N ATOM 1567 CA GLN B 12 -14.916 8.907 -18.093 1.00 25.43 C ATOM 1568 C GLN B 12 -14.704 7.571 -17.389 1.00 22.80 C ATOM 1569 O GLN B 12 -13.836 6.800 -17.746 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.381 8.662 -19.523 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.289 9.810 -19.939 1.00 42.11 C ATOM 1572 CD GLN B 12 -16.749 9.608 -21.385 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -16.446 10.407 -22.248 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.473 8.565 -21.687 1.00 47.90 N ATOM 0 H GLN B 12 -12.803 9.112 -18.276 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.674 9.480 -17.559 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -14.524 8.595 -20.194 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.914 7.714 -19.591 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.153 9.861 -19.276 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -15.759 10.758 -19.845 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -17.728 7.894 -20.962 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -17.784 8.421 -22.648 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.488 7.291 -16.387 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.328 6.012 -15.661 1.00 20.51 C ATOM 1585 C PHE B 13 -16.189 4.935 -16.313 1.00 18.83 C ATOM 1586 O PHE B 13 -17.174 5.219 -16.966 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.790 6.200 -14.224 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.227 6.661 -14.251 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.260 5.727 -14.387 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -17.525 8.025 -14.158 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -19.590 6.159 -14.427 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -18.853 8.456 -14.196 1.00 20.75 C ATOM 1593 CZ PHE B 13 -19.885 7.524 -14.331 1.00 18.48 C ATOM 0 H PHE B 13 -16.233 7.897 -16.042 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.281 5.710 -15.689 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.700 5.266 -13.670 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.164 6.934 -13.716 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.031 4.674 -14.461 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -16.727 8.746 -14.057 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -20.389 5.440 -14.532 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -19.082 9.509 -14.121 1.00 20.75 H new ATOM 0 HZ PHE B 13 -20.912 7.857 -14.361 1.00 18.48 H new ATOM 1603 N THR B 14 -15.838 3.700 -16.116 1.00 14.89 N ATOM 1604 CA THR B 14 -16.641 2.593 -16.693 1.00 13.37 C ATOM 1605 C THR B 14 -16.895 1.564 -15.598 1.00 11.97 C ATOM 1606 O THR B 14 -16.216 1.537 -14.591 1.00 10.76 O ATOM 1607 CB THR B 14 -15.879 1.936 -17.845 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.683 0.914 -18.417 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.578 1.330 -17.319 1.00 9.24 C ATOM 0 H THR B 14 -15.024 3.407 -15.576 1.00 14.89 H new ATOM 0 HA THR B 14 -17.585 2.981 -17.076 1.00 13.37 H new ATOM 0 HB THR B 14 -15.647 2.684 -18.603 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.198 0.492 -19.157 1.00 13.48 H new ATOM 0 HG21 THR B 14 -14.036 0.862 -18.141 1.00 9.24 H new ATOM 0 HG22 THR B 14 -13.963 2.115 -16.879 1.00 9.24 H new ATOM 0 HG23 THR B 14 -14.806 0.580 -16.561 1.00 9.24 H new ATOM 1617 N THR B 15 -17.863 0.717 -15.777 1.00 13.20 N ATOM 1618 CA THR B 15 -18.144 -0.301 -14.731 1.00 12.54 C ATOM 1619 C THR B 15 -17.122 -1.432 -14.844 1.00 14.34 C ATOM 1620 O THR B 15 -17.139 -2.208 -15.779 1.00 17.35 O ATOM 1621 CB THR B 15 -19.552 -0.864 -14.920 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.375 0.119 -15.533 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.133 -1.243 -13.558 1.00 8.30 C ATOM 0 H THR B 15 -18.470 0.684 -16.596 1.00 13.20 H new ATOM 0 HA THR B 15 -18.074 0.162 -13.746 1.00 12.54 H new ATOM 0 HB THR B 15 -19.511 -1.749 -15.555 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.278 -0.241 -15.657 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.138 -1.645 -13.690 1.00 8.30 H new ATOM 0 HG22 THR B 15 -19.500 -1.996 -13.089 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.177 -0.359 -12.922 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.586 -1.122 -9.293 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.667 0.344 -9.049 1.00 16.31 C ATOM 1818 C LEU B 28 -16.996 1.111 -10.191 1.00 14.21 C ATOM 1819 O LEU B 28 -15.914 0.778 -10.631 1.00 16.97 O ATOM 1820 CB LEU B 28 -16.971 0.678 -7.731 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.784 1.728 -6.974 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.171 1.181 -5.598 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -16.943 2.996 -6.802 1.00 22.01 C ATOM 0 HA LEU B 28 -18.716 0.637 -8.997 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.866 -0.222 -7.125 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -15.965 1.051 -7.924 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.687 1.964 -7.537 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.751 1.930 -5.059 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.769 0.278 -5.720 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.269 0.945 -5.034 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.521 3.746 -6.262 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.040 2.760 -6.239 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.668 3.386 -7.782 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.639 2.142 -10.667 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.058 2.953 -11.778 1.00 9.77 C ATOM 1837 C ASN B 29 -15.579 3.248 -11.496 1.00 7.94 C ATOM 1838 O ASN B 29 -15.208 3.638 -10.407 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.815 4.284 -11.918 1.00 14.73 C ATOM 1840 CG ASN B 29 -18.496 4.674 -10.600 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -18.199 4.134 -9.555 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.404 5.611 -10.609 1.00 12.89 N ATOM 0 H ASN B 29 -18.548 2.461 -10.332 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.149 2.384 -12.703 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.122 5.070 -12.219 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.563 4.199 -12.706 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.861 5.887 -9.740 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.657 6.068 -11.485 1.00 12.89 H new ATOM 1849 N GLU B 30 -14.735 3.075 -12.480 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.280 3.354 -12.292 1.00 13.16 C ATOM 1851 C GLU B 30 -12.805 4.278 -13.419 1.00 12.26 C ATOM 1852 O GLU B 30 -13.356 4.275 -14.501 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.496 2.040 -12.339 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.673 1.295 -11.014 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.788 0.048 -11.006 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -10.595 0.193 -10.794 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -12.317 -1.032 -11.211 1.00 40.03 O ATOM 0 H GLU B 30 -14.993 2.750 -13.412 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.115 3.833 -11.327 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -12.848 1.423 -13.166 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.440 2.240 -12.518 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.409 1.946 -10.181 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.717 1.013 -10.880 1.00 27.13 H new ATOM 1864 N GLN B 31 -11.798 5.078 -13.179 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.317 6.005 -14.249 1.00 9.46 C ATOM 1866 C GLN B 31 -9.786 5.990 -14.314 1.00 10.09 C ATOM 1867 O GLN B 31 -9.131 5.185 -13.684 1.00 9.36 O ATOM 1868 CB GLN B 31 -11.792 7.431 -13.929 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.162 8.176 -15.219 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.857 9.667 -15.049 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -12.755 10.473 -14.934 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -10.619 10.071 -15.029 1.00 12.39 N ATOM 0 H GLN B 31 -11.291 5.130 -12.296 1.00 10.34 H new ATOM 0 HA GLN B 31 -11.718 5.680 -15.209 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.655 7.393 -13.264 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.007 7.973 -13.402 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -11.599 7.772 -16.060 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.219 8.033 -15.445 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -9.861 9.396 -15.125 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -10.408 11.063 -14.917 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.218 6.891 -15.071 1.00 6.80 N ATOM 1882 CA LEU B 32 -7.734 6.960 -15.187 1.00 10.34 C ATOM 1883 C LEU B 32 -7.281 8.393 -14.866 1.00 9.02 C ATOM 1884 O LEU B 32 -8.094 9.278 -14.693 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.323 6.584 -16.614 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.173 5.407 -17.097 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -7.947 5.194 -18.596 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.770 4.142 -16.335 1.00 15.89 C ATOM 0 H LEU B 32 -9.724 7.587 -15.618 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.265 6.266 -14.489 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -7.454 7.438 -17.279 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.266 6.318 -16.641 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.226 5.621 -16.916 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.553 4.355 -18.940 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -8.233 6.095 -19.139 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -6.894 4.980 -18.778 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.375 3.302 -16.678 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.717 3.928 -16.516 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -7.931 4.293 -15.268 1.00 15.89 H new ATOM 1900 N CYS B 33 -5.997 8.636 -14.779 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.519 10.008 -14.465 1.00 8.10 C ATOM 1902 C CYS B 33 -4.018 10.058 -14.723 1.00 6.34 C ATOM 1903 O CYS B 33 -3.358 9.040 -14.777 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.786 10.362 -12.992 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.307 8.899 -12.056 1.00 13.84 S ATOM 0 H CYS B 33 -5.263 7.941 -14.913 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.051 10.724 -15.091 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.884 10.781 -12.546 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.558 11.130 -12.933 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.464 8.678 -11.092 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.468 11.223 -14.886 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.010 11.315 -15.146 1.00 7.08 C ATOM 1913 C TYR B 34 -1.306 11.854 -13.906 1.00 7.71 C ATOM 1914 O TYR B 34 -1.179 13.047 -13.727 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.769 12.269 -16.305 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.867 11.530 -17.618 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.779 10.486 -17.783 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -1.031 11.908 -18.680 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -2.855 9.819 -19.010 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.107 11.241 -19.900 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.016 10.199 -20.066 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.091 9.538 -21.275 1.00 21.14 O ATOM 0 H TYR B 34 -3.963 12.114 -14.851 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.620 10.327 -15.389 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.500 13.077 -16.279 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.785 12.727 -16.210 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.423 10.195 -16.967 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.328 12.717 -18.551 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.560 9.012 -19.143 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.462 11.531 -20.716 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.443 9.925 -21.900 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.847 10.990 -13.048 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.155 11.472 -11.822 1.00 10.66 C ATOM 1934 C VAL B 35 1.350 11.502 -12.048 1.00 10.57 C ATOM 1935 O VAL B 35 1.968 10.499 -12.345 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.471 10.555 -10.643 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.141 11.148 -9.371 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.988 10.445 -10.477 1.00 9.86 C ATOM 0 H VAL B 35 -0.920 9.977 -13.140 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.507 12.479 -11.599 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.055 9.564 -10.824 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.080 10.499 -8.524 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.221 11.232 -9.492 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.281 12.136 -9.191 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.215 9.791 -9.636 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.406 11.434 -10.291 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.425 10.032 -11.386 1.00 9.86 H new ATOM 1948 N ASP B 36 1.950 12.648 -11.895 1.00 8.58 N ATOM 1949 CA ASP B 36 3.412 12.743 -12.079 1.00 11.48 C ATOM 1950 C ASP B 36 4.088 12.089 -10.876 1.00 12.38 C ATOM 1951 O ASP B 36 5.105 11.446 -11.000 1.00 11.89 O ATOM 1952 CB ASP B 36 3.828 14.214 -12.168 1.00 16.17 C ATOM 1953 CG ASP B 36 2.742 15.010 -12.894 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.536 14.758 -14.069 1.00 15.67 O ATOM 1955 OD2 ASP B 36 2.137 15.861 -12.262 1.00 25.89 O ATOM 0 H ASP B 36 1.484 13.522 -11.650 1.00 8.58 H new ATOM 0 HA ASP B 36 3.709 12.239 -12.999 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.984 14.620 -11.168 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.775 14.303 -12.699 1.00 16.17 H new ATOM 1960 N LEU B 37 3.512 12.248 -9.712 1.00 13.17 N ATOM 1961 CA LEU B 37 4.096 11.640 -8.480 1.00 18.47 C ATOM 1962 C LEU B 37 5.622 11.749 -8.516 1.00 21.14 C ATOM 1963 O LEU B 37 6.325 10.935 -7.950 1.00 24.24 O ATOM 1964 CB LEU B 37 3.681 10.167 -8.381 1.00 15.81 C ATOM 1965 CG LEU B 37 4.388 9.343 -9.460 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.670 7.938 -8.924 1.00 14.72 C ATOM 1967 CD2 LEU B 37 3.492 9.247 -10.698 1.00 20.01 C ATOM 0 H LEU B 37 2.654 12.778 -9.562 1.00 13.17 H new ATOM 0 HA LEU B 37 3.723 12.176 -7.607 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.931 9.777 -7.394 1.00 15.81 H new ATOM 0 HB3 LEU B 37 2.601 10.078 -8.495 1.00 15.81 H new ATOM 0 HG LEU B 37 5.328 9.825 -9.729 1.00 20.59 H new ATOM 0 HD11 LEU B 37 5.173 7.350 -9.691 1.00 14.72 H new ATOM 0 HD12 LEU B 37 5.308 8.006 -8.042 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.730 7.456 -8.656 1.00 14.72 H new ATOM 0 HD21 LEU B 37 3.995 8.660 -11.467 1.00 20.01 H new ATOM 0 HD22 LEU B 37 2.552 8.764 -10.430 1.00 20.01 H new ATOM 0 HD23 LEU B 37 3.290 10.248 -11.080 1.00 20.01 H new ATOM 1979 N GLY B 38 6.140 12.749 -9.172 1.00 20.70 N ATOM 1980 CA GLY B 38 7.618 12.908 -9.237 1.00 23.91 C ATOM 1981 C GLY B 38 8.227 11.768 -10.062 1.00 26.50 C ATOM 1982 O GLY B 38 9.367 11.394 -9.873 1.00 31.02 O ATOM 0 H GLY B 38 5.604 13.463 -9.666 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.870 13.869 -9.686 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.038 12.906 -8.231 1.00 23.91 H new ATOM 1986 N ASN B 39 7.469 11.203 -10.966 1.00 27.64 N ATOM 1987 CA ASN B 39 7.985 10.080 -11.790 1.00 30.27 C ATOM 1988 C ASN B 39 8.497 10.592 -13.134 1.00 26.79 C ATOM 1989 O ASN B 39 8.691 9.832 -14.062 1.00 26.87 O ATOM 1990 CB ASN B 39 6.853 9.081 -12.034 1.00 35.62 C ATOM 1991 CG ASN B 39 7.300 7.678 -11.632 1.00 41.31 C ATOM 1992 OD1 ASN B 39 8.408 7.486 -11.172 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.474 6.680 -11.788 1.00 39.63 N ATOM 0 H ASN B 39 6.507 11.477 -11.167 1.00 27.64 H new ATOM 0 HA ASN B 39 8.808 9.601 -11.259 1.00 30.27 H new ATOM 0 HB2 ASN B 39 5.972 9.369 -11.460 1.00 35.62 H new ATOM 0 HB3 ASN B 39 6.566 9.093 -13.086 1.00 35.62 H new ATOM 0 HD21 ASN B 39 6.758 5.737 -11.524 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.544 6.843 -12.174 1.00 39.63 H new ATOM 2000 N GLU B 40 8.711 11.867 -13.257 1.00 25.15 N ATOM 2001 CA GLU B 40 9.202 12.404 -14.551 1.00 23.81 C ATOM 2002 C GLU B 40 8.093 12.262 -15.591 1.00 21.12 C ATOM 2003 O GLU B 40 7.942 11.228 -16.210 1.00 19.86 O ATOM 2004 CB GLU B 40 10.432 11.613 -15.003 1.00 27.22 C ATOM 2005 CG GLU B 40 11.296 11.271 -13.787 1.00 34.87 C ATOM 2006 CD GLU B 40 12.774 11.378 -14.164 1.00 38.97 C ATOM 2007 OE1 GLU B 40 13.165 12.421 -14.663 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.491 10.415 -13.948 1.00 39.54 O ATOM 0 H GLU B 40 8.568 12.559 -12.521 1.00 25.15 H new ATOM 0 HA GLU B 40 9.476 13.453 -14.438 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.123 10.699 -15.511 1.00 27.22 H new ATOM 0 HB3 GLU B 40 11.009 12.197 -15.720 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.070 11.950 -12.965 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.071 10.263 -13.440 1.00 34.87 H new ATOM 2015 N HIS B 41 7.309 13.294 -15.763 1.00 4.75 N ATOM 2016 CA HIS B 41 6.182 13.255 -16.748 1.00 4.03 C ATOM 2017 C HIS B 41 4.947 12.662 -16.058 1.00 3.06 C ATOM 2018 O HIS B 41 5.054 12.135 -14.968 1.00 2.16 O ATOM 2019 CB HIS B 41 6.581 12.407 -17.961 1.00 4.81 C ATOM 2020 CG HIS B 41 8.000 12.714 -18.353 1.00 4.25 C ATOM 2021 ND1 HIS B 41 9.006 11.761 -18.311 1.00 5.04 N ATOM 2022 CD2 HIS B 41 8.592 13.864 -18.804 1.00 4.01 C ATOM 2023 CE1 HIS B 41 10.141 12.352 -18.728 1.00 5.11 C ATOM 2024 NE2 HIS B 41 9.944 13.635 -19.041 1.00 4.57 N ATOM 0 H HIS B 41 7.401 14.175 -15.257 1.00 4.75 H new ATOM 0 HA HIS B 41 5.953 14.262 -17.097 1.00 4.03 H new ATOM 0 HB2 HIS B 41 6.481 11.348 -17.725 1.00 4.81 H new ATOM 0 HB3 HIS B 41 5.911 12.612 -18.796 1.00 4.81 H new ATOM 0 HD1 HIS B 41 8.905 10.789 -18.018 1.00 5.04 H new ATOM 0 HD2 HIS B 41 8.086 14.806 -18.953 1.00 4.01 H new ATOM 0 HE1 HIS B 41 11.094 11.850 -18.801 1.00 5.11 H new ATOM 2032 N PRO B 42 3.804 12.776 -16.695 1.00 15.11 N ATOM 2033 CA PRO B 42 2.541 12.269 -16.132 1.00 16.08 C ATOM 2034 C PRO B 42 2.437 10.758 -16.287 1.00 17.92 C ATOM 2035 O PRO B 42 2.955 10.180 -17.222 1.00 17.13 O ATOM 2036 CB PRO B 42 1.464 12.942 -16.975 1.00 16.41 C ATOM 2037 CG PRO B 42 2.138 13.345 -18.303 1.00 13.79 C ATOM 2038 CD PRO B 42 3.656 13.406 -18.025 1.00 16.28 C ATOM 0 HA PRO B 42 2.456 12.481 -15.066 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.630 12.263 -17.153 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.060 13.816 -16.464 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.916 12.620 -19.086 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.768 14.310 -18.648 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.223 12.869 -18.786 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.020 14.433 -18.022 1.00 16.28 H new ATOM 2046 N VAL B 43 1.752 10.116 -15.389 1.00 16.29 N ATOM 2047 CA VAL B 43 1.595 8.653 -15.499 1.00 14.28 C ATOM 2048 C VAL B 43 0.111 8.312 -15.541 1.00 9.00 C ATOM 2049 O VAL B 43 -0.634 8.610 -14.629 1.00 7.99 O ATOM 2050 CB VAL B 43 2.260 7.978 -14.298 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.587 8.675 -13.992 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.342 8.070 -13.071 1.00 20.57 C ATOM 0 H VAL B 43 1.295 10.545 -14.584 1.00 16.29 H new ATOM 0 HA VAL B 43 2.070 8.295 -16.412 1.00 14.28 H new ATOM 0 HB VAL B 43 2.441 6.929 -14.533 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.061 8.195 -13.136 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.244 8.603 -14.859 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.402 9.724 -13.763 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.823 7.587 -12.220 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.154 9.117 -12.835 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.397 7.571 -13.285 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.325 7.685 -16.590 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.756 7.325 -16.679 1.00 11.55 C ATOM 2064 C LEU B 44 -2.026 6.160 -15.731 1.00 10.61 C ATOM 2065 O LEU B 44 -1.587 5.048 -15.952 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.090 6.921 -18.106 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.553 6.492 -18.174 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.428 7.533 -17.472 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -3.980 6.366 -19.638 1.00 20.21 C ATOM 0 H LEU B 44 0.247 7.407 -17.387 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.376 8.177 -16.400 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.911 7.755 -18.785 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.443 6.104 -18.427 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.671 5.529 -17.677 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.472 7.224 -17.522 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.125 7.619 -16.429 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.311 8.498 -17.965 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.025 6.060 -19.687 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.860 7.328 -20.136 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.359 5.620 -20.135 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.733 6.410 -14.669 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.021 5.326 -13.692 1.00 9.29 C ATOM 2083 C VAL B 45 -4.538 5.197 -13.504 1.00 9.95 C ATOM 2084 O VAL B 45 -5.291 6.094 -13.827 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.328 5.659 -12.361 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.199 6.603 -11.527 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.073 4.369 -11.577 1.00 10.20 C ATOM 0 H VAL B 45 -3.126 7.321 -14.433 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.640 4.373 -14.059 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.379 6.152 -12.573 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.694 6.829 -10.588 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.367 7.527 -12.080 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.157 6.126 -11.319 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.582 4.608 -10.634 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.022 3.872 -11.376 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.434 3.708 -12.162 1.00 10.20 H new ATOM 2097 N LYS B 46 -4.992 4.081 -13.002 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.459 3.884 -12.814 1.00 12.81 C ATOM 2099 C LYS B 46 -6.946 4.642 -11.575 1.00 13.35 C ATOM 2100 O LYS B 46 -6.169 5.055 -10.736 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.745 2.391 -12.641 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.252 2.140 -12.734 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.520 0.634 -12.693 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.945 -0.021 -13.949 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.186 -1.246 -13.568 1.00 36.74 N ATOM 0 H LYS B 46 -4.410 3.295 -12.713 1.00 10.76 H new ATOM 0 HA LYS B 46 -6.985 4.268 -13.688 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.223 1.820 -13.409 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -6.368 2.048 -11.677 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.766 2.634 -11.910 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.646 2.566 -13.657 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.067 0.197 -11.803 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -9.592 0.446 -12.630 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.749 -0.278 -14.638 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -7.290 0.678 -14.469 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -7.116 -1.880 -14.389 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -6.231 -0.979 -13.254 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -7.681 -1.734 -12.794 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.236 4.819 -11.456 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.800 5.537 -10.280 1.00 16.93 C ATOM 2121 C ILE B 47 -10.196 4.980 -9.981 1.00 16.52 C ATOM 2122 O ILE B 47 -10.734 4.194 -10.736 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.884 7.044 -10.584 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.830 7.838 -9.278 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.191 7.372 -11.311 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.614 8.761 -9.294 1.00 18.26 C ATOM 0 H ILE B 47 -8.928 4.493 -12.131 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.157 5.391 -9.412 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.041 7.315 -11.220 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.742 8.422 -9.157 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.772 7.158 -8.428 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.234 8.441 -11.518 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.234 6.819 -12.249 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.037 7.090 -10.684 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.575 9.327 -8.363 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.707 8.166 -9.395 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.691 9.450 -10.135 1.00 18.26 H new ATOM 2138 N THR B 48 -10.789 5.384 -8.894 1.00 16.86 N ATOM 2139 CA THR B 48 -12.148 4.880 -8.562 1.00 16.59 C ATOM 2140 C THR B 48 -13.167 6.005 -8.752 1.00 19.04 C ATOM 2141 O THR B 48 -12.879 7.162 -8.519 1.00 22.56 O ATOM 2142 CB THR B 48 -12.175 4.410 -7.108 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.017 3.631 -6.842 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.426 3.568 -6.868 1.00 16.02 C ATOM 0 H THR B 48 -10.392 6.041 -8.222 1.00 16.86 H new ATOM 0 HA THR B 48 -12.398 4.047 -9.218 1.00 16.59 H new ATOM 0 HB THR B 48 -12.190 5.275 -6.445 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.032 3.330 -5.909 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.445 3.233 -5.831 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.313 4.168 -7.072 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.414 2.702 -7.529 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.358 5.676 -9.166 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.395 6.724 -9.363 1.00 18.82 C ATOM 2154 C LEU B 49 -16.555 6.450 -8.403 1.00 20.06 C ATOM 2155 O LEU B 49 -16.863 5.316 -8.097 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.887 6.691 -10.820 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.828 8.093 -11.423 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -16.935 8.958 -10.815 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.464 8.725 -11.134 1.00 14.50 C ATOM 0 H LEU B 49 -14.658 4.724 -9.377 1.00 18.35 H new ATOM 0 HA LEU B 49 -14.980 7.711 -9.159 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.271 6.008 -11.405 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.908 6.312 -10.859 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.970 8.027 -12.502 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -16.893 9.959 -11.245 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -17.906 8.511 -11.030 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.796 9.021 -9.736 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.427 9.725 -11.566 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.314 8.790 -10.056 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.678 8.111 -11.573 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.189 7.476 -7.909 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.316 7.265 -6.955 1.00 27.04 C ATOM 2173 C ASP B 50 -19.601 6.963 -7.729 1.00 27.73 C ATOM 2174 O ASP B 50 -19.874 7.553 -8.755 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.515 8.526 -6.111 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.710 8.134 -4.645 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.992 7.260 -4.186 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -19.573 8.713 -4.007 1.00 33.99 O ATOM 0 H ASP B 50 -16.977 8.450 -8.123 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.081 6.423 -6.304 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.651 9.183 -6.211 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.382 9.082 -6.468 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.393 6.046 -7.242 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.661 5.705 -7.947 1.00 34.22 C ATOM 2185 C GLU B 51 -22.481 6.978 -8.162 1.00 34.98 C ATOM 2186 O GLU B 51 -23.052 7.523 -7.238 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.466 4.718 -7.099 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.421 3.931 -7.999 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.855 4.100 -7.495 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.106 3.752 -6.353 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.679 4.576 -8.259 1.00 53.83 O ATOM 0 H GLU B 51 -20.216 5.519 -6.387 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.431 5.252 -8.912 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.793 4.035 -6.580 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.029 5.254 -6.334 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.342 4.284 -9.027 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.148 2.876 -8.002 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.543 7.457 -9.373 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.324 8.696 -9.644 1.00 34.93 C ATOM 2200 C GLY B 52 -22.366 9.881 -9.774 1.00 36.10 C ATOM 2201 O GLY B 52 -22.741 10.950 -10.214 1.00 35.97 O ATOM 0 H GLY B 52 -22.087 7.044 -10.187 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.904 8.581 -10.560 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.035 8.875 -8.837 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.130 9.698 -9.395 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.147 10.812 -9.498 1.00 35.40 C ATOM 2207 C GLN B 53 -19.611 10.885 -10.930 1.00 31.02 C ATOM 2208 O GLN B 53 -19.483 9.875 -11.593 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.985 10.560 -8.534 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.178 11.401 -7.270 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.858 11.479 -6.501 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.832 11.806 -7.064 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.840 11.191 -5.228 1.00 54.76 N ATOM 0 H GLN B 53 -20.760 8.825 -9.019 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.635 11.752 -9.241 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.936 9.502 -8.276 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.040 10.815 -9.013 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.516 12.403 -7.535 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.951 10.960 -6.642 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.701 10.916 -4.755 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.965 11.241 -4.706 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.313 12.082 -11.363 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.787 12.329 -12.715 1.00 23.44 C ATOM 2224 C PRO B 54 -17.299 11.977 -12.783 1.00 20.14 C ATOM 2225 O PRO B 54 -16.498 12.497 -12.032 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.002 13.828 -12.918 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.103 14.446 -11.508 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.473 13.301 -10.547 1.00 28.37 C ATOM 0 HA PRO B 54 -19.276 11.727 -13.480 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.175 14.267 -13.477 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.910 14.016 -13.491 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.157 14.904 -11.218 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.859 15.231 -11.483 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.820 13.286 -9.675 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.494 13.403 -10.179 1.00 28.37 H new ATOM 2236 N ALA B 55 -16.927 11.098 -13.678 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.496 10.705 -13.807 1.00 15.58 C ATOM 2238 C ALA B 55 -14.592 11.923 -13.594 1.00 16.41 C ATOM 2239 O ALA B 55 -14.919 13.026 -13.985 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.269 10.140 -15.207 1.00 13.98 C ATOM 0 H ALA B 55 -17.560 10.633 -14.329 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.254 9.955 -13.054 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.225 9.848 -15.316 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -15.907 9.269 -15.356 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.513 10.899 -15.950 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.456 11.727 -12.975 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.522 12.865 -12.733 1.00 14.61 C ATOM 2248 C TYR B 56 -12.472 13.751 -13.980 1.00 15.51 C ATOM 2249 O TYR B 56 -11.767 13.468 -14.926 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.120 12.320 -12.426 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.148 11.564 -11.111 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.591 10.236 -11.080 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.747 12.196 -9.929 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.630 9.540 -9.868 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.787 11.499 -8.716 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.228 10.172 -8.685 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.268 9.485 -7.489 1.00 12.03 O ATOM 0 H TYR B 56 -13.135 10.824 -12.626 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.871 13.453 -11.885 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.790 11.661 -13.229 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.403 13.140 -12.371 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.903 9.749 -11.992 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.407 13.221 -9.953 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -11.970 8.515 -9.844 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.477 11.986 -7.803 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.800 8.669 -7.598 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.227 14.817 -13.991 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.233 15.718 -15.179 1.00 14.95 C ATOM 2269 C ALA B 57 -11.799 15.924 -15.674 1.00 15.46 C ATOM 2270 O ALA B 57 -10.853 15.616 -14.976 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.838 17.070 -14.790 1.00 14.98 C ATOM 0 H ALA B 57 -13.840 15.103 -13.228 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.828 15.267 -15.973 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.843 17.730 -15.658 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.860 16.924 -14.439 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.243 17.520 -13.996 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.682 16.444 -16.869 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.376 16.709 -17.493 1.00 16.55 C ATOM 2279 C PRO B 58 -9.758 17.978 -16.902 1.00 16.75 C ATOM 2280 O PRO B 58 -10.172 19.080 -17.204 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.716 16.900 -18.974 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.211 17.293 -19.030 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.841 16.817 -17.707 1.00 13.96 C ATOM 0 HA PRO B 58 -9.650 15.912 -17.332 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.093 17.676 -19.419 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.534 15.984 -19.536 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.324 18.371 -19.147 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.703 16.826 -19.883 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.433 17.605 -17.241 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.508 15.969 -17.865 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.774 17.834 -16.056 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.143 19.037 -15.446 1.00 15.08 C ATOM 2293 C GLY B 59 -6.924 18.624 -14.618 1.00 14.96 C ATOM 2294 O GLY B 59 -6.544 17.472 -14.590 1.00 13.79 O ATOM 0 H GLY B 59 -8.382 16.939 -15.763 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.843 19.736 -16.227 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.864 19.555 -14.814 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.316 19.559 -13.934 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.135 19.223 -13.090 1.00 14.53 C ATOM 2300 C LEU B 60 -5.639 18.540 -11.820 1.00 14.15 C ATOM 2301 O LEU B 60 -6.671 18.902 -11.292 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.395 20.512 -12.715 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.909 20.370 -13.042 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.278 21.759 -13.164 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.213 19.589 -11.924 1.00 15.01 C ATOM 0 H LEU B 60 -6.589 20.542 -13.925 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.455 18.565 -13.631 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.817 21.356 -13.260 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.525 20.721 -11.653 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.794 19.835 -13.985 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.218 21.658 -13.397 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.773 22.315 -13.960 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.393 22.295 -12.222 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.153 19.487 -12.157 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.328 20.123 -10.981 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.662 18.600 -11.837 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.947 17.551 -11.323 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.444 16.873 -10.100 1.00 9.57 C ATOM 2319 C TYR B 61 -4.355 16.728 -9.058 1.00 11.76 C ATOM 2320 O TYR B 61 -3.178 16.844 -9.324 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.989 15.496 -10.457 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.411 15.667 -10.904 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.679 16.304 -12.115 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.459 15.219 -10.093 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -8.998 16.495 -12.523 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.781 15.408 -10.501 1.00 13.03 C ATOM 2327 CZ TYR B 61 -10.047 16.047 -11.716 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.352 16.234 -12.129 1.00 14.61 O ATOM 0 H TYR B 61 -4.073 17.190 -11.706 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.237 17.491 -9.678 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.392 15.042 -11.248 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.937 14.830 -9.596 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.866 16.649 -12.736 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.246 14.729 -9.155 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.209 16.988 -13.461 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.595 15.062 -9.881 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.383 16.275 -13.108 1.00 14.61 H new ATOM 2338 N THR B 62 -4.773 16.457 -7.865 1.00 12.22 N ATOM 2339 CA THR B 62 -3.832 16.267 -6.749 1.00 14.26 C ATOM 2340 C THR B 62 -4.436 15.212 -5.849 1.00 15.40 C ATOM 2341 O THR B 62 -5.533 15.364 -5.348 1.00 16.24 O ATOM 2342 CB THR B 62 -3.664 17.566 -5.976 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.892 17.905 -5.346 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.256 18.676 -6.941 1.00 11.61 C ATOM 0 H THR B 62 -5.756 16.357 -7.612 1.00 12.22 H new ATOM 0 HA THR B 62 -2.850 15.965 -7.114 1.00 14.26 H new ATOM 0 HB THR B 62 -2.893 17.444 -5.216 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.299 17.098 -4.967 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.134 19.609 -6.391 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.314 18.412 -7.421 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.028 18.800 -7.700 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.758 14.136 -5.657 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.334 13.075 -4.807 1.00 15.17 C ATOM 2354 C VAL B 63 -4.796 13.693 -3.493 1.00 14.24 C ATOM 2355 O VAL B 63 -4.538 14.847 -3.213 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.304 11.986 -4.552 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.022 10.746 -4.031 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.586 11.648 -5.865 1.00 18.64 C ATOM 0 H VAL B 63 -2.836 13.941 -6.046 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.186 12.620 -5.313 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.573 12.327 -3.819 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.295 9.956 -3.844 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.541 10.989 -3.104 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.745 10.405 -4.773 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.847 10.867 -5.685 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.313 11.297 -6.597 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.087 12.539 -6.247 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.487 12.944 -2.693 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.979 13.496 -1.403 1.00 10.78 C ATOM 2370 C HIS B 64 -5.720 12.481 -0.288 1.00 14.19 C ATOM 2371 O HIS B 64 -6.129 11.335 -0.375 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.482 13.772 -1.514 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.880 14.836 -0.528 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.228 15.006 0.683 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.878 15.780 -0.551 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.837 16.008 1.336 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.850 16.519 0.630 1.00 20.65 N ATOM 0 H HIS B 64 -5.735 11.971 -2.873 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.457 14.425 -1.173 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.728 14.091 -2.527 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.044 12.858 -1.323 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.577 15.927 -1.361 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.544 16.359 2.314 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.469 17.284 0.898 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.045 12.889 0.759 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.759 11.949 1.879 1.00 14.44 C ATOM 2387 C LEU B 65 -6.054 11.642 2.637 1.00 12.66 C ATOM 2388 O LEU B 65 -6.069 10.843 3.552 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.712 12.570 2.820 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.387 13.374 3.922 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.433 12.537 5.203 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.602 14.660 4.178 1.00 19.03 C ATOM 0 H LEU B 65 -4.681 13.834 0.883 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.360 11.016 1.482 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.100 11.783 3.260 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.042 13.215 2.251 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.401 13.629 3.615 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.916 13.110 5.995 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.998 11.623 5.020 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.418 12.282 5.507 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.089 15.232 4.968 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.586 14.411 4.484 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.571 15.255 3.265 1.00 19.03 H new ATOM 2404 N SER B 66 -7.143 12.255 2.258 1.00 13.51 N ATOM 2405 CA SER B 66 -8.422 11.972 2.954 1.00 10.39 C ATOM 2406 C SER B 66 -8.700 10.476 2.842 1.00 8.56 C ATOM 2407 O SER B 66 -9.509 9.922 3.560 1.00 11.70 O ATOM 2408 CB SER B 66 -9.553 12.757 2.289 1.00 12.88 C ATOM 2409 OG SER B 66 -10.726 11.954 2.257 1.00 14.72 O ATOM 0 H SER B 66 -7.198 12.935 1.500 1.00 13.51 H new ATOM 0 HA SER B 66 -8.358 12.268 4.001 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.744 13.678 2.839 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.267 13.043 1.277 1.00 12.88 H new ATOM 0 HG SER B 66 -11.454 12.455 1.833 1.00 14.72 H new ATOM 2415 N SER B 67 -8.033 9.823 1.929 1.00 7.98 N ATOM 2416 CA SER B 67 -8.247 8.366 1.741 1.00 8.20 C ATOM 2417 C SER B 67 -7.114 7.564 2.394 1.00 11.02 C ATOM 2418 O SER B 67 -7.186 6.357 2.494 1.00 11.45 O ATOM 2419 CB SER B 67 -8.276 8.056 0.250 1.00 8.01 C ATOM 2420 OG SER B 67 -9.627 7.958 -0.183 1.00 11.22 O ATOM 0 H SER B 67 -7.345 10.242 1.303 1.00 7.98 H new ATOM 0 HA SER B 67 -9.192 8.087 2.208 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.760 8.839 -0.306 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.749 7.123 0.050 1.00 8.01 H new ATOM 0 HG SER B 67 -9.726 7.180 -0.771 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.063 8.214 2.821 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.926 7.467 3.438 1.00 11.79 C ATOM 2428 C PHE B 68 -5.327 6.957 4.821 1.00 12.69 C ATOM 2429 O PHE B 68 -6.298 7.398 5.405 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.712 8.396 3.575 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.371 9.030 2.241 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.088 8.698 1.080 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.351 9.985 2.179 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.780 9.322 -0.134 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.049 10.612 0.966 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.764 10.282 -0.189 1.00 11.87 C ATOM 0 H PHE B 68 -5.942 9.226 2.770 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.671 6.621 2.800 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.923 9.173 4.309 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.856 7.832 3.945 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.877 7.961 1.124 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.795 10.239 3.070 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.327 9.062 -1.029 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.263 11.351 0.922 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.532 10.769 -1.125 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.577 6.031 5.349 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.892 5.482 6.696 1.00 15.38 C ATOM 2448 C LYS B 69 -3.586 5.131 7.407 1.00 15.02 C ATOM 2449 O LYS B 69 -2.512 5.261 6.853 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.748 4.223 6.549 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.149 3.320 5.469 1.00 20.35 C ATOM 2452 CD LYS B 69 -5.655 1.889 5.658 1.00 21.35 C ATOM 2453 CE LYS B 69 -4.532 1.022 6.230 1.00 30.24 C ATOM 2454 NZ LYS B 69 -5.091 -0.287 6.673 1.00 32.70 N ATOM 0 H LYS B 69 -3.754 5.628 4.902 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.441 6.223 7.277 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.795 3.690 7.499 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.770 4.494 6.285 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -5.425 3.686 4.480 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.061 3.342 5.525 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -6.513 1.881 6.330 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -5.993 1.483 4.705 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -3.761 0.864 5.476 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -4.058 1.530 7.070 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -4.328 -0.877 7.062 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -5.812 -0.127 7.405 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -5.524 -0.772 5.861 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.667 4.687 8.627 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.427 4.328 9.370 1.00 13.49 C ATOM 2470 C VAL B 70 -2.557 2.906 9.915 1.00 11.85 C ATOM 2471 O VAL B 70 -3.644 2.383 10.064 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.216 5.312 10.524 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -3.201 5.005 11.654 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -0.782 5.184 11.046 1.00 15.63 C ATOM 0 H VAL B 70 -4.537 4.556 9.143 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.570 4.379 8.698 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.386 6.328 10.167 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -3.046 5.708 12.472 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -4.221 5.099 11.283 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -3.038 3.989 12.013 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -0.630 5.884 11.868 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -0.613 4.167 11.400 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -0.081 5.410 10.243 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.456 2.274 10.210 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.514 0.883 10.740 1.00 11.07 C ATOM 2486 C GLY B 71 -0.598 -0.015 9.908 1.00 12.15 C ATOM 2487 O GLY B 71 0.484 0.376 9.523 1.00 12.70 O ATOM 0 H GLY B 71 -0.518 2.660 10.107 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -1.206 0.867 11.785 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.538 0.510 10.704 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.020 -1.215 9.625 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.165 -2.129 8.818 1.00 19.42 C ATOM 2493 C GLN B 72 1.185 -2.305 9.512 1.00 16.97 C ATOM 2494 O GLN B 72 2.221 -1.974 8.972 1.00 20.46 O ATOM 2495 CB GLN B 72 0.050 -1.535 7.424 1.00 22.64 C ATOM 2496 CG GLN B 72 0.828 -2.529 6.559 1.00 25.29 C ATOM 2497 CD GLN B 72 0.071 -3.857 6.501 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -0.804 -4.035 5.678 1.00 26.22 O ATOM 2499 NE2 GLN B 72 0.375 -4.804 7.346 1.00 25.15 N ATOM 0 H GLN B 72 -1.918 -1.602 9.917 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.656 -3.098 8.725 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -0.911 -1.309 6.962 1.00 22.64 H new ATOM 0 HB3 GLN B 72 0.597 -0.595 7.498 1.00 22.64 H new ATOM 0 HG2 GLN B 72 0.958 -2.128 5.554 1.00 25.29 H new ATOM 0 HG3 GLN B 72 1.825 -2.684 6.972 1.00 25.29 H new ATOM 0 HE21 GLN B 72 1.110 -4.654 8.037 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -0.122 -5.694 7.315 1.00 25.15 H new ATOM 2508 N PHE B 73 1.176 -2.820 10.710 1.00 14.56 N ATOM 2509 CA PHE B 73 2.453 -3.018 11.452 1.00 14.60 C ATOM 2510 C PHE B 73 2.984 -1.664 11.925 1.00 15.63 C ATOM 2511 O PHE B 73 4.039 -1.574 12.522 1.00 17.80 O ATOM 2512 CB PHE B 73 3.480 -3.685 10.536 1.00 12.63 C ATOM 2513 CG PHE B 73 3.830 -5.044 11.088 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.855 -5.174 12.033 1.00 19.79 C ATOM 2515 CD2 PHE B 73 3.130 -6.177 10.655 1.00 16.27 C ATOM 2516 CE1 PHE B 73 5.179 -6.436 12.546 1.00 18.68 C ATOM 2517 CE2 PHE B 73 3.454 -7.438 11.168 1.00 20.44 C ATOM 2518 CZ PHE B 73 4.478 -7.568 12.113 1.00 17.88 C ATOM 0 H PHE B 73 0.336 -3.113 11.209 1.00 14.56 H new ATOM 0 HA PHE B 73 2.275 -3.657 12.317 1.00 14.60 H new ATOM 0 HB2 PHE B 73 3.077 -3.782 9.528 1.00 12.63 H new ATOM 0 HB3 PHE B 73 4.375 -3.067 10.463 1.00 12.63 H new ATOM 0 HD1 PHE B 73 5.396 -4.301 12.366 1.00 19.79 H new ATOM 0 HD2 PHE B 73 2.340 -6.078 9.925 1.00 16.27 H new ATOM 0 HE1 PHE B 73 5.969 -6.536 13.275 1.00 18.68 H new ATOM 0 HE2 PHE B 73 2.913 -8.311 10.834 1.00 20.44 H new ATOM 0 HZ PHE B 73 4.728 -8.542 12.508 1.00 17.88 H new ATOM 2528 N GLY B 74 2.259 -0.610 11.670 1.00 13.82 N ATOM 2529 CA GLY B 74 2.718 0.737 12.112 1.00 13.44 C ATOM 2530 C GLY B 74 3.270 1.519 10.918 1.00 10.42 C ATOM 2531 O GLY B 74 4.389 1.993 10.940 1.00 13.62 O ATOM 0 H GLY B 74 1.368 -0.623 11.174 1.00 13.82 H new ATOM 0 HA2 GLY B 74 1.889 1.283 12.563 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.487 0.635 12.878 1.00 13.44 H new ATOM 2535 N SER B 75 2.497 1.660 9.877 1.00 12.64 N ATOM 2536 CA SER B 75 2.984 2.415 8.687 1.00 12.47 C ATOM 2537 C SER B 75 1.798 3.053 7.955 1.00 12.47 C ATOM 2538 O SER B 75 0.709 2.515 7.931 1.00 11.32 O ATOM 2539 CB SER B 75 3.710 1.458 7.740 1.00 11.21 C ATOM 2540 OG SER B 75 4.167 2.179 6.604 1.00 18.27 O ATOM 0 H SER B 75 1.551 1.286 9.798 1.00 12.64 H new ATOM 0 HA SER B 75 3.668 3.198 9.014 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.552 0.991 8.251 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.040 0.656 7.431 1.00 11.21 H new ATOM 0 HG SER B 75 4.634 1.569 5.996 1.00 18.27 H new ATOM 2546 N LEU B 76 2.004 4.196 7.355 1.00 12.43 N ATOM 2547 CA LEU B 76 0.892 4.867 6.620 1.00 12.18 C ATOM 2548 C LEU B 76 0.391 3.940 5.512 1.00 12.07 C ATOM 2549 O LEU B 76 1.045 2.980 5.157 1.00 9.82 O ATOM 2550 CB LEU B 76 1.402 6.171 6.002 1.00 11.99 C ATOM 2551 CG LEU B 76 0.357 7.271 6.192 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.317 7.691 7.663 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.726 8.478 5.325 1.00 7.80 C ATOM 0 H LEU B 76 2.894 4.694 7.342 1.00 12.43 H new ATOM 0 HA LEU B 76 0.078 5.088 7.310 1.00 12.18 H new ATOM 0 HB2 LEU B 76 2.342 6.464 6.470 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.605 6.027 4.941 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.623 6.896 5.897 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.428 8.475 7.797 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.055 6.831 8.280 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.296 8.066 7.961 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.018 9.263 5.459 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.706 8.852 5.621 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.753 8.179 4.277 1.00 7.80 H new ATOM 2565 N MET B 77 -0.762 4.214 4.958 1.00 14.08 N ATOM 2566 CA MET B 77 -1.287 3.336 3.875 1.00 14.12 C ATOM 2567 C MET B 77 -2.431 4.035 3.140 1.00 11.37 C ATOM 2568 O MET B 77 -3.539 4.121 3.631 1.00 11.44 O ATOM 2569 CB MET B 77 -1.804 2.030 4.478 1.00 16.48 C ATOM 2570 CG MET B 77 -0.629 1.089 4.747 1.00 24.75 C ATOM 2571 SD MET B 77 -1.172 -0.627 4.551 1.00 35.11 S ATOM 2572 CE MET B 77 -0.997 -0.716 2.752 1.00 33.86 C ATOM 0 H MET B 77 -1.358 5.003 5.208 1.00 14.08 H new ATOM 0 HA MET B 77 -0.481 3.125 3.172 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.340 2.233 5.405 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.512 1.558 3.797 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.188 1.304 4.058 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.246 1.247 5.755 1.00 24.75 H new ATOM 0 HE1 MET B 77 -1.652 -1.495 2.361 1.00 33.86 H new ATOM 0 HE2 MET B 77 -1.271 0.243 2.312 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.037 -0.950 2.498 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.167 4.525 1.963 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.233 5.214 1.175 1.00 11.62 C ATOM 2584 C ILE B 78 -4.545 4.426 1.293 1.00 11.45 C ATOM 2585 O ILE B 78 -5.526 4.905 1.819 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.792 5.304 -0.297 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.004 6.599 -0.508 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.007 5.300 -1.227 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.947 6.384 -1.592 1.00 13.67 C ATOM 0 H ILE B 78 -1.255 4.479 1.508 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.393 6.221 1.562 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.169 4.440 -0.529 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.679 7.404 -0.798 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.527 6.903 0.424 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.673 5.364 -2.263 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.571 4.378 -1.084 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.644 6.154 -0.998 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.386 7.307 -1.742 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.265 5.591 -1.284 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.435 6.101 -2.525 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.543 3.226 0.798 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.757 2.351 0.848 1.00 14.79 C ATOM 2603 C ASP B 79 -6.675 2.656 -0.339 1.00 15.20 C ATOM 2604 O ASP B 79 -7.167 1.766 -1.004 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.507 2.589 2.155 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.474 1.431 2.409 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.442 0.481 1.645 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.230 1.516 3.362 1.00 21.87 O ATOM 0 H ASP B 79 -3.734 2.798 0.348 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.446 1.308 0.795 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.801 2.674 2.981 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.055 3.530 2.106 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.898 3.905 -0.609 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.775 4.290 -1.755 1.00 17.14 C ATOM 2615 C ARG B 80 -7.679 5.797 -1.953 1.00 14.98 C ATOM 2616 O ARG B 80 -8.616 6.536 -1.737 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.222 3.890 -1.463 1.00 17.78 C ATOM 2618 CG ARG B 80 -9.975 3.706 -2.781 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.888 4.909 -3.019 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.276 4.572 -2.592 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.160 5.520 -2.425 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.832 6.767 -2.628 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.374 5.219 -2.053 1.00 35.04 N ATOM 0 H ARG B 80 -6.509 4.688 -0.083 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.452 3.776 -2.660 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.246 2.966 -0.886 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.707 4.656 -0.858 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -9.268 3.604 -3.605 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.564 2.789 -2.751 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.524 5.771 -2.461 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.877 5.184 -4.074 1.00 28.43 H new ATOM 0 HE ARG B 80 -12.536 3.599 -2.430 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.883 7.004 -2.918 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.524 7.504 -2.497 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.632 4.245 -1.893 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.065 5.958 -1.922 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.530 6.236 -2.358 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.273 7.682 -2.572 1.00 11.27 C ATOM 2639 C LEU B 81 -7.494 8.387 -3.178 1.00 15.61 C ATOM 2640 O LEU B 81 -8.059 7.952 -4.161 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.051 7.821 -3.485 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.480 7.966 -4.944 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.240 8.175 -5.816 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.205 6.688 -5.386 1.00 18.72 C ATOM 0 H LEU B 81 -5.731 5.634 -2.557 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.079 8.162 -1.613 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.464 8.689 -3.185 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.408 6.948 -3.375 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.148 8.821 -5.049 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.541 8.279 -6.858 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.719 9.078 -5.497 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.575 7.317 -5.714 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.513 6.786 -6.427 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.533 5.835 -5.285 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.084 6.533 -4.760 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.882 9.494 -2.606 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.037 10.256 -3.155 1.00 12.72 C ATOM 2658 C ARG B 82 -8.485 11.360 -4.058 1.00 13.33 C ATOM 2659 O ARG B 82 -7.907 12.321 -3.594 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.839 10.878 -2.010 1.00 13.85 C ATOM 2661 CG ARG B 82 -10.851 11.876 -2.578 1.00 16.22 C ATOM 2662 CD ARG B 82 -11.730 11.179 -3.616 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.163 11.552 -3.394 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.710 11.472 -2.207 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.083 10.885 -1.222 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.918 11.930 -2.022 1.00 16.89 N ATOM 0 H ARG B 82 -7.447 9.904 -1.780 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.694 9.595 -3.720 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -10.356 10.099 -1.449 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.168 11.381 -1.313 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.469 12.280 -1.776 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -10.330 12.718 -3.034 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.421 11.466 -4.621 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.610 10.098 -3.542 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.724 11.875 -4.183 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -12.158 10.483 -1.374 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -13.519 10.829 -0.302 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.430 12.347 -2.799 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.350 11.871 -1.100 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.625 11.214 -5.345 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.072 12.242 -6.274 1.00 13.86 C ATOM 2682 C LEU B 83 -8.959 13.484 -6.316 1.00 13.02 C ATOM 2683 O LEU B 83 -10.167 13.416 -6.204 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.970 11.668 -7.685 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.538 11.810 -8.198 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.514 11.517 -9.701 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.051 13.241 -7.953 1.00 10.58 C ATOM 0 H LEU B 83 -9.097 10.430 -5.795 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.085 12.523 -5.907 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.263 10.618 -7.683 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.658 12.189 -8.350 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.887 11.109 -7.675 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.495 11.616 -10.075 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.869 10.502 -9.880 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.161 12.224 -10.220 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.029 13.345 -8.318 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.698 13.941 -8.481 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.078 13.457 -6.885 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.347 14.621 -6.491 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.099 15.894 -6.563 1.00 12.86 C ATOM 2701 C VAL B 84 -8.352 16.832 -7.520 1.00 14.98 C ATOM 2702 O VAL B 84 -7.164 16.682 -7.713 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.143 16.508 -5.166 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.717 15.492 -4.176 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.726 16.897 -4.735 1.00 17.34 C ATOM 0 H VAL B 84 -7.336 14.719 -6.589 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.116 15.732 -6.921 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.776 17.395 -5.181 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.747 15.932 -3.179 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.726 15.216 -4.482 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.087 14.603 -4.161 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.757 17.336 -3.738 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.093 16.010 -4.722 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.318 17.623 -5.438 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.054 17.780 -8.078 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.454 18.761 -9.000 1.00 22.41 C ATOM 2717 C PRO B 85 -7.412 19.619 -8.269 1.00 25.70 C ATOM 2718 O PRO B 85 -7.574 19.959 -7.114 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.648 19.577 -9.498 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.764 19.358 -8.464 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.490 17.980 -7.838 1.00 20.63 C ATOM 0 HA PRO B 85 -7.911 18.306 -9.828 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.393 20.633 -9.580 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.962 19.247 -10.488 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.754 20.141 -7.706 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.746 19.385 -8.937 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.726 17.967 -6.774 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.089 17.199 -8.306 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.332 19.956 -8.930 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.268 20.771 -8.272 1.00 39.94 C ATOM 2731 C ALA B 86 -5.761 22.208 -8.096 1.00 46.96 C ATOM 2732 O ALA B 86 -5.998 22.915 -9.055 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.011 20.765 -9.148 1.00 39.70 C ATOM 0 H ALA B 86 -6.142 19.700 -9.899 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.035 20.347 -7.295 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.232 21.359 -8.671 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.660 19.741 -9.274 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.245 21.191 -10.124 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.920 22.646 -6.878 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.399 24.038 -6.643 1.00 55.12 C ATOM 2741 C LYS B 87 -5.387 25.030 -7.218 1.00 55.82 C ATOM 2742 O LYS B 87 -4.208 24.719 -7.204 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.551 24.278 -5.140 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.822 23.589 -4.638 1.00 55.49 C ATOM 2745 CD LYS B 87 -9.032 24.125 -5.406 1.00 56.64 C ATOM 2746 CE LYS B 87 -10.170 24.420 -4.427 1.00 58.91 C ATOM 2747 NZ LYS B 87 -10.486 25.876 -4.454 1.00 58.16 N ATOM 2748 OXT LYS B 87 -5.809 26.085 -7.663 1.00 57.66 O ATOM 0 H LYS B 87 -5.739 22.101 -6.035 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.363 24.178 -7.133 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -5.681 23.891 -4.610 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.599 25.347 -4.935 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -7.741 22.510 -4.773 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -7.948 23.768 -3.570 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -8.760 25.031 -5.947 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -9.357 23.396 -6.148 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -11.053 23.841 -4.695 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.884 24.118 -3.419 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -11.260 26.076 -3.788 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.643 26.419 -4.178 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -10.776 26.151 -5.414 1.00 58.16 H new