USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 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 Set 1.1: B 1 MET CE :methyl 171:sc= -0.79 (180deg=-1.03) USER MOD Set 1.2: B 3 LYS NZ :NH3+ -121:sc= -0.316 (180deg=-0.349) USER MOD Set 2.1: A 1 MET CE :methyl 171:sc= -0.717 (180deg=-1.02) USER MOD Set 2.2: A 3 LYS NZ :NH3+ -124:sc= -0.267 (180deg=-0.35) USER MOD Single : A 1 MET N :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 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -10.6! C(o=-11!,f=-9.3!) 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 USER MOD Single : A 15 THR OG1 : rot 180:sc=0.000273 USER MOD Single : A 29 ASN : amide:sc= -7.58! C(o=-7.6!,f=-18!) USER MOD Single : A 31 GLN : amide:sc= -9.6! C(o=-9.6!,f=-16!) USER MOD Single : A 33 CYS SG : rot -17:sc= -2.57! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -7.57! C(o=-7.6!,f=-4.9!) USER MOD Single : A 41 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-5.5!) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= -0.511 (180deg=-1.76!) USER MOD Single : A 48 THR OG1 : rot 120:sc= -0.038 USER MOD Single : A 53 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.8!) USER MOD Single : A 56 TYR OH : rot -20:sc= 1.19 USER MOD Single : A 61 TYR OH : rot -8:sc= -0.693 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 64 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-4!) USER MOD Single : A 66 SER OG : rot 81:sc= -1.56! USER MOD Single : A 67 SER OG : rot -128:sc= -2.07! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -4.65! C(o=-4.7!,f=-2.2!) USER MOD Single : A 75 SER OG : rot 15:sc= 1.21 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 N :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 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -10.6! C(o=-11!,f=-9.5!) 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 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : B 29 ASN : amide:sc= -7.75! C(o=-7.8!,f=-19!) USER MOD Single : B 31 GLN : amide:sc= -9.67! C(o=-9.7!,f=-16!) USER MOD Single : B 33 CYS SG : rot -16:sc= -2.55! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -7.59! C(o=-7.6!,f=-4.8!) USER MOD Single : B 41 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-5.4!) USER MOD Single : B 46 LYS NZ :NH3+ 149:sc= -0.525 (180deg=-1.79!) USER MOD Single : B 48 THR OG1 : rot 120:sc= -0.0476 USER MOD Single : B 53 GLN : amide:sc= -1.76 K(o=-1.8,f=-4!) USER MOD Single : B 56 TYR OH : rot -31:sc= 1.23 USER MOD Single : B 61 TYR OH : rot -15:sc= -0.76 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.182 USER MOD Single : B 64 HIS : no HD1:sc= -0.396 K(o=-0.4,f=-4!) USER MOD Single : B 66 SER OG : rot 70:sc= -1.64! USER MOD Single : B 67 SER OG : rot -129:sc= -2.05! USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -4.68! C(o=-4.7!,f=-2.3!) USER MOD Single : B 75 SER OG : rot 18:sc= 1.19 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.099 17.228 1.677 1.00 42.32 N ATOM 2 CA MET A 1 -0.683 16.982 2.073 1.00 40.89 C ATOM 3 C MET A 1 -0.646 16.063 3.292 1.00 34.75 C ATOM 4 O MET A 1 -1.125 16.408 4.353 1.00 33.97 O ATOM 5 CB MET A 1 -0.012 18.312 2.427 1.00 48.45 C ATOM 6 CG MET A 1 1.360 18.048 3.057 1.00 56.13 C ATOM 7 SD MET A 1 2.621 18.984 2.156 1.00 64.91 S ATOM 8 CE MET A 1 2.276 20.599 2.893 1.00 63.43 C ATOM 0 H1 MET A 1 -2.124 17.854 0.847 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.556 16.324 1.442 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.607 17.678 2.465 1.00 42.32 H new ATOM 0 HA MET A 1 -0.154 16.513 1.244 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.100 18.923 1.532 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.639 18.873 3.120 1.00 48.45 H new ATOM 0 HG2 MET A 1 1.354 18.341 4.107 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.589 16.983 3.025 1.00 56.13 H new ATOM 0 HE1 MET A 1 3.050 21.307 2.596 1.00 63.43 H new ATOM 0 HE2 MET A 1 1.306 20.956 2.548 1.00 63.43 H new ATOM 0 HE3 MET A 1 2.264 20.508 3.979 1.00 63.43 H new ATOM 20 N ILE A 2 -0.070 14.901 3.155 1.00 28.59 N ATOM 21 CA ILE A 2 0.009 13.975 4.318 1.00 24.58 C ATOM 22 C ILE A 2 0.823 14.663 5.414 1.00 19.29 C ATOM 23 O ILE A 2 2.012 14.454 5.549 1.00 19.53 O ATOM 24 CB ILE A 2 0.690 12.675 3.888 1.00 25.10 C ATOM 25 CG1 ILE A 2 0.099 12.195 2.564 1.00 28.92 C ATOM 26 CG2 ILE A 2 0.464 11.599 4.946 1.00 23.06 C ATOM 27 CD1 ILE A 2 1.230 11.782 1.633 1.00 33.80 C ATOM 0 H ILE A 2 0.348 14.554 2.292 1.00 28.59 H new ATOM 0 HA ILE A 2 -0.987 13.736 4.690 1.00 24.58 H new ATOM 0 HB ILE A 2 1.758 12.859 3.771 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -0.573 11.354 2.735 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -0.493 12.988 2.107 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.951 10.675 4.635 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.884 11.929 5.896 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -0.605 11.424 5.064 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.814 11.438 0.686 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.884 12.636 1.454 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.803 10.976 2.092 1.00 33.80 H new ATOM 39 N LYS A 3 0.187 15.510 6.175 1.00 18.14 N ATOM 40 CA LYS A 3 0.903 16.260 7.245 1.00 16.66 C ATOM 41 C LYS A 3 1.309 15.337 8.392 1.00 14.94 C ATOM 42 O LYS A 3 1.039 14.152 8.389 1.00 13.94 O ATOM 43 CB LYS A 3 -0.012 17.359 7.790 1.00 16.94 C ATOM 44 CG LYS A 3 -0.007 18.553 6.833 1.00 17.85 C ATOM 45 CD LYS A 3 -0.794 19.707 7.456 1.00 19.63 C ATOM 46 CE LYS A 3 -0.053 21.023 7.211 1.00 26.28 C ATOM 47 NZ LYS A 3 0.148 21.216 5.747 1.00 32.72 N ATOM 0 H LYS A 3 -0.809 15.717 6.100 1.00 18.14 H new ATOM 0 HA LYS A 3 1.805 16.693 6.813 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.026 16.977 7.906 1.00 16.94 H new ATOM 0 HB3 LYS A 3 0.326 17.671 8.778 1.00 16.94 H new ATOM 0 HG2 LYS A 3 1.017 18.865 6.629 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.450 18.270 5.878 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -1.793 19.754 7.024 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -0.917 19.541 8.526 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.623 21.856 7.623 1.00 26.28 H new ATOM 0 HE3 LYS A 3 0.909 21.011 7.722 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 1.161 21.344 5.550 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -0.201 20.381 5.236 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.375 22.058 5.433 1.00 32.72 H new ATOM 61 N VAL A 4 1.960 15.895 9.375 1.00 12.42 N ATOM 62 CA VAL A 4 2.405 15.097 10.548 1.00 12.99 C ATOM 63 C VAL A 4 3.274 15.981 11.449 1.00 14.26 C ATOM 64 O VAL A 4 3.682 17.062 11.075 1.00 13.80 O ATOM 65 CB VAL A 4 3.201 13.871 10.063 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.958 14.229 8.792 1.00 14.46 C ATOM 67 CG2 VAL A 4 4.197 13.413 11.138 1.00 10.41 C ATOM 0 H VAL A 4 2.205 16.884 9.414 1.00 12.42 H new ATOM 0 HA VAL A 4 1.542 14.748 11.115 1.00 12.99 H new ATOM 0 HB VAL A 4 2.503 13.058 9.863 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.522 13.362 8.448 1.00 14.46 H new ATOM 0 HG12 VAL A 4 3.250 14.531 8.020 1.00 14.46 H new ATOM 0 HG13 VAL A 4 4.645 15.050 8.997 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.750 12.546 10.776 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.894 14.222 11.357 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.656 13.145 12.045 1.00 10.41 H new ATOM 77 N GLU A 5 3.549 15.523 12.635 1.00 9.27 N ATOM 78 CA GLU A 5 4.383 16.318 13.580 1.00 10.51 C ATOM 79 C GLU A 5 5.308 15.382 14.342 1.00 10.00 C ATOM 80 O GLU A 5 4.883 14.599 15.164 1.00 10.96 O ATOM 81 CB GLU A 5 3.475 17.050 14.566 1.00 10.42 C ATOM 82 CG GLU A 5 2.937 18.315 13.902 1.00 18.68 C ATOM 83 CD GLU A 5 1.846 18.931 14.778 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.425 18.275 15.716 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.449 20.050 14.496 1.00 19.38 O ATOM 0 H GLU A 5 3.230 14.624 12.995 1.00 9.27 H new ATOM 0 HA GLU A 5 4.975 17.045 13.024 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.651 16.404 14.869 1.00 10.42 H new ATOM 0 HB3 GLU A 5 4.029 17.305 15.469 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.745 19.031 13.753 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.535 18.078 12.917 1.00 18.68 H new ATOM 92 N ILE A 6 6.575 15.461 14.085 1.00 9.86 N ATOM 93 CA ILE A 6 7.519 14.573 14.820 1.00 10.60 C ATOM 94 C ILE A 6 7.617 15.094 16.263 1.00 10.16 C ATOM 95 O ILE A 6 8.228 16.111 16.524 1.00 11.64 O ATOM 96 CB ILE A 6 8.896 14.554 14.106 1.00 9.14 C ATOM 97 CG1 ILE A 6 9.173 13.133 13.607 1.00 14.23 C ATOM 98 CG2 ILE A 6 10.023 14.977 15.050 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.917 13.058 12.099 1.00 13.81 C ATOM 0 H ILE A 6 7.000 16.093 13.407 1.00 9.86 H new ATOM 0 HA ILE A 6 7.164 13.543 14.837 1.00 10.60 H new ATOM 0 HB ILE A 6 8.863 15.260 13.276 1.00 9.14 H new ATOM 0 HG12 ILE A 6 10.204 12.855 13.825 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.534 12.422 14.130 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.973 14.952 14.516 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.835 15.989 15.410 1.00 12.29 H new ATOM 0 HG23 ILE A 6 10.065 14.292 15.897 1.00 12.29 H new ATOM 0 HD11 ILE A 6 9.115 12.046 11.746 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.879 13.318 11.893 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.575 13.757 11.583 1.00 13.81 H new ATOM 111 N LYS A 7 6.999 14.415 17.200 1.00 11.63 N ATOM 112 CA LYS A 7 7.038 14.886 18.612 1.00 11.59 C ATOM 113 C LYS A 7 8.489 15.079 19.046 1.00 12.98 C ATOM 114 O LYS A 7 9.390 14.525 18.448 1.00 9.79 O ATOM 115 CB LYS A 7 6.369 13.842 19.513 1.00 12.52 C ATOM 116 CG LYS A 7 4.959 13.549 19.011 1.00 14.26 C ATOM 117 CD LYS A 7 4.010 14.658 19.467 1.00 15.70 C ATOM 118 CE LYS A 7 4.172 15.876 18.555 1.00 19.19 C ATOM 119 NZ LYS A 7 2.829 16.434 18.228 1.00 25.43 N ATOM 0 H LYS A 7 6.471 13.556 17.044 1.00 11.63 H new ATOM 0 HA LYS A 7 6.507 15.834 18.695 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.959 12.925 19.522 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.330 14.206 20.540 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.957 13.479 17.923 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.619 12.586 19.393 1.00 14.26 H new ATOM 0 HD2 LYS A 7 2.980 14.304 19.439 1.00 15.70 H new ATOM 0 HD3 LYS A 7 4.224 14.933 20.500 1.00 15.70 H new ATOM 0 HE2 LYS A 7 4.782 16.633 19.047 1.00 19.19 H new ATOM 0 HE3 LYS A 7 4.692 15.592 17.640 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 2.939 17.262 17.608 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.261 15.711 17.742 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 2.349 16.719 19.105 1.00 25.43 H new ATOM 133 N PRO A 8 8.673 15.849 20.087 1.00 13.56 N ATOM 134 CA PRO A 8 10.010 16.114 20.634 1.00 11.93 C ATOM 135 C PRO A 8 10.506 14.872 21.371 1.00 10.20 C ATOM 136 O PRO A 8 11.657 14.775 21.750 1.00 12.05 O ATOM 137 CB PRO A 8 9.790 17.297 21.583 1.00 12.78 C ATOM 138 CG PRO A 8 8.287 17.289 21.944 1.00 12.51 C ATOM 139 CD PRO A 8 7.574 16.513 20.820 1.00 13.61 C ATOM 0 HA PRO A 8 10.763 16.343 19.880 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.405 17.198 22.477 1.00 12.78 H new ATOM 0 HB3 PRO A 8 10.070 18.236 21.106 1.00 12.78 H new ATOM 0 HG2 PRO A 8 8.122 16.812 22.910 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.900 18.305 22.020 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.868 15.787 21.223 1.00 13.61 H new ATOM 0 HD3 PRO A 8 7.009 17.181 20.171 1.00 13.61 H new ATOM 147 N SER A 9 9.642 13.910 21.554 1.00 10.65 N ATOM 148 CA SER A 9 10.054 12.657 22.238 1.00 10.83 C ATOM 149 C SER A 9 10.399 11.605 21.180 1.00 10.94 C ATOM 150 O SER A 9 10.644 10.456 21.489 1.00 13.16 O ATOM 151 CB SER A 9 8.906 12.150 23.113 1.00 13.01 C ATOM 152 OG SER A 9 9.397 11.873 24.417 1.00 15.52 O ATOM 0 H SER A 9 8.667 13.941 21.257 1.00 10.65 H new ATOM 0 HA SER A 9 10.924 12.847 22.866 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.113 12.896 23.161 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.471 11.251 22.677 1.00 13.01 H new ATOM 0 HG SER A 9 8.664 11.550 24.981 1.00 15.52 H new ATOM 158 N GLN A 10 10.433 11.995 19.929 1.00 10.02 N ATOM 159 CA GLN A 10 10.777 11.021 18.852 1.00 11.55 C ATOM 160 C GLN A 10 11.624 11.726 17.790 1.00 13.72 C ATOM 161 O GLN A 10 11.486 11.479 16.608 1.00 17.31 O ATOM 162 CB GLN A 10 9.513 10.447 18.189 1.00 6.60 C ATOM 163 CG GLN A 10 8.268 11.219 18.624 1.00 7.20 C ATOM 164 CD GLN A 10 7.280 11.290 17.461 1.00 10.36 C ATOM 165 OE1 GLN A 10 6.147 10.867 17.582 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.663 11.813 16.330 1.00 4.80 N ATOM 0 H GLN A 10 10.238 12.944 19.610 1.00 10.02 H new ATOM 0 HA GLN A 10 11.332 10.197 19.301 1.00 11.55 H new ATOM 0 HB2 GLN A 10 9.614 10.493 17.105 1.00 6.60 H new ATOM 0 HB3 GLN A 10 9.404 9.395 18.454 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.804 10.729 19.480 1.00 7.20 H new ATOM 0 HG3 GLN A 10 8.543 12.224 18.943 1.00 7.20 H new ATOM 0 HE21 GLN A 10 8.614 12.168 16.228 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.012 11.867 15.547 1.00 4.80 H new ATOM 175 N ALA A 11 12.495 12.608 18.200 1.00 15.28 N ATOM 176 CA ALA A 11 13.343 13.334 17.213 1.00 18.95 C ATOM 177 C ALA A 11 14.609 12.525 16.923 1.00 20.75 C ATOM 178 O ALA A 11 15.568 13.031 16.374 1.00 24.78 O ATOM 179 CB ALA A 11 13.732 14.700 17.782 1.00 17.72 C ATOM 0 H ALA A 11 12.656 12.857 19.176 1.00 15.28 H new ATOM 0 HA ALA A 11 12.782 13.469 16.288 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.352 15.231 17.060 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.831 15.280 17.983 1.00 17.72 H new ATOM 0 HB3 ALA A 11 14.290 14.563 18.708 1.00 17.72 H new ATOM 185 N GLN A 12 14.622 11.273 17.286 1.00 22.50 N ATOM 186 CA GLN A 12 15.821 10.436 17.033 1.00 25.43 C ATOM 187 C GLN A 12 15.360 9.013 16.682 1.00 22.80 C ATOM 188 O GLN A 12 14.393 8.516 17.223 1.00 20.93 O ATOM 189 CB GLN A 12 16.698 10.439 18.299 1.00 30.18 C ATOM 190 CG GLN A 12 17.294 9.052 18.545 1.00 42.11 C ATOM 191 CD GLN A 12 18.455 9.159 19.536 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.248 9.173 20.733 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.677 9.236 19.084 1.00 47.90 N ATOM 0 H GLN A 12 13.849 10.794 17.749 1.00 22.50 H new ATOM 0 HA GLN A 12 16.407 10.828 16.202 1.00 25.43 H new ATOM 0 HB2 GLN A 12 17.499 11.171 18.191 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.102 10.743 19.160 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.529 8.381 18.937 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.643 8.624 17.606 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.851 9.224 18.079 1.00 47.90 H new ATOM 0 HE22 GLN A 12 20.458 9.308 19.736 1.00 47.90 H new ATOM 202 N PHE A 13 16.042 8.354 15.784 1.00 21.61 N ATOM 203 CA PHE A 13 15.635 6.977 15.412 1.00 20.51 C ATOM 204 C PHE A 13 16.253 5.980 16.386 1.00 18.83 C ATOM 205 O PHE A 13 17.067 6.327 17.218 1.00 18.83 O ATOM 206 CB PHE A 13 16.146 6.671 14.011 1.00 19.56 C ATOM 207 CG PHE A 13 17.618 7.011 13.951 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.566 6.102 14.432 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.033 8.242 13.425 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.928 6.421 14.385 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.393 8.561 13.378 1.00 14.07 C ATOM 212 CZ PHE A 13 20.339 7.652 13.858 1.00 18.48 C ATOM 0 H PHE A 13 16.862 8.713 15.295 1.00 21.61 H new ATOM 0 HA PHE A 13 14.548 6.898 15.445 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.991 5.619 13.773 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.593 7.250 13.271 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.247 5.154 14.840 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.301 8.945 13.056 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.661 5.719 14.755 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.712 9.509 12.971 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.390 7.899 13.823 1.00 18.48 H new ATOM 222 N THR A 14 15.883 4.739 16.275 1.00 14.89 N ATOM 223 CA THR A 14 16.455 3.708 17.177 1.00 13.37 C ATOM 224 C THR A 14 16.777 2.458 16.362 1.00 11.97 C ATOM 225 O THR A 14 16.191 2.214 15.326 1.00 10.76 O ATOM 226 CB THR A 14 15.444 3.360 18.269 1.00 13.68 C ATOM 227 OG1 THR A 14 15.260 4.484 19.119 1.00 13.48 O ATOM 228 CG2 THR A 14 15.962 2.177 19.085 1.00 9.24 C ATOM 0 H THR A 14 15.206 4.393 15.595 1.00 14.89 H new ATOM 0 HA THR A 14 17.364 4.091 17.641 1.00 13.37 H new ATOM 0 HB THR A 14 14.491 3.093 17.812 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.611 4.262 19.819 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.241 1.929 19.864 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.100 1.316 18.431 1.00 9.24 H new ATOM 0 HG23 THR A 14 16.915 2.441 19.544 1.00 9.24 H new ATOM 236 N THR A 15 17.703 1.663 16.816 1.00 13.20 N ATOM 237 CA THR A 15 18.057 0.432 16.060 1.00 12.54 C ATOM 238 C THR A 15 17.209 -0.737 16.562 1.00 14.34 C ATOM 239 O THR A 15 17.371 -1.206 17.671 1.00 17.35 O ATOM 240 CB THR A 15 19.538 0.114 16.267 1.00 11.88 C ATOM 241 OG1 THR A 15 20.237 1.309 16.586 1.00 17.15 O ATOM 242 CG2 THR A 15 20.112 -0.488 14.985 1.00 8.30 C ATOM 0 H THR A 15 18.229 1.812 17.677 1.00 13.20 H new ATOM 0 HA THR A 15 17.865 0.590 14.999 1.00 12.54 H new ATOM 0 HB THR A 15 19.648 -0.600 17.084 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.186 1.107 16.721 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.168 -0.715 15.131 1.00 8.30 H new ATOM 0 HG22 THR A 15 19.574 -1.404 14.741 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.004 0.225 14.168 1.00 8.30 H new ATOM 435 N LEU A 28 17.483 -1.579 10.633 1.00 18.57 N ATOM 436 CA LEU A 28 17.724 -0.192 10.144 1.00 16.31 C ATOM 437 C LEU A 28 17.122 0.825 11.118 1.00 14.21 C ATOM 438 O LEU A 28 16.001 0.687 11.565 1.00 16.97 O ATOM 439 CB LEU A 28 17.080 -0.024 8.768 1.00 16.48 C ATOM 440 CG LEU A 28 18.138 0.423 7.758 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.310 -0.658 6.688 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.690 1.730 7.098 1.00 22.01 C ATOM 0 HA LEU A 28 18.798 -0.020 10.074 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.631 -0.964 8.448 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.277 0.711 8.818 1.00 16.48 H new ATOM 0 HG LEU A 28 19.088 0.581 8.269 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.064 -0.340 5.968 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.627 -1.589 7.159 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.362 -0.816 6.175 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.443 2.051 6.378 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.741 1.572 6.585 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.567 2.499 7.861 1.00 22.01 H new ATOM 454 N ASN A 29 17.863 1.851 11.442 1.00 11.64 N ATOM 455 CA ASN A 29 17.345 2.888 12.379 1.00 9.77 C ATOM 456 C ASN A 29 15.919 3.273 11.979 1.00 7.94 C ATOM 457 O ASN A 29 15.652 3.599 10.843 1.00 10.52 O ATOM 458 CB ASN A 29 18.232 4.152 12.360 1.00 14.73 C ATOM 459 CG ASN A 29 19.110 4.236 11.098 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.303 3.272 10.387 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.669 5.376 10.798 1.00 12.89 N ATOM 0 H ASN A 29 18.808 2.015 11.096 1.00 11.64 H new ATOM 0 HA ASN A 29 17.356 2.470 13.386 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.599 5.037 12.418 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.870 4.158 13.244 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.262 5.451 9.972 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.513 6.192 11.390 1.00 12.89 H new ATOM 468 N GLU A 30 15.002 3.241 12.908 1.00 8.58 N ATOM 469 CA GLU A 30 13.591 3.613 12.590 1.00 13.16 C ATOM 470 C GLU A 30 13.177 4.789 13.483 1.00 12.26 C ATOM 471 O GLU A 30 13.565 4.869 14.631 1.00 10.58 O ATOM 472 CB GLU A 30 12.677 2.417 12.863 1.00 14.93 C ATOM 473 CG GLU A 30 12.687 1.480 11.653 1.00 27.13 C ATOM 474 CD GLU A 30 11.739 0.307 11.906 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.304 0.155 13.035 1.00 40.03 O ATOM 476 OE2 GLU A 30 11.465 -0.421 10.966 1.00 38.01 O ATOM 0 H GLU A 30 15.169 2.972 13.878 1.00 8.58 H new ATOM 0 HA GLU A 30 13.508 3.897 11.541 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.014 1.884 13.752 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.662 2.760 13.063 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.381 2.022 10.758 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.697 1.112 11.473 1.00 27.13 H new ATOM 483 N GLN A 31 12.401 5.707 12.970 1.00 10.34 N ATOM 484 CA GLN A 31 11.983 6.874 13.802 1.00 9.46 C ATOM 485 C GLN A 31 10.468 6.846 14.027 1.00 10.09 C ATOM 486 O GLN A 31 9.807 5.859 13.774 1.00 9.36 O ATOM 487 CB GLN A 31 12.372 8.176 13.091 1.00 7.25 C ATOM 488 CG GLN A 31 12.807 9.221 14.123 1.00 10.62 C ATOM 489 CD GLN A 31 11.997 10.503 13.923 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.924 10.475 13.354 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.470 11.634 14.369 1.00 12.39 N ATOM 0 H GLN A 31 12.040 5.700 12.016 1.00 10.34 H new ATOM 0 HA GLN A 31 12.486 6.820 14.767 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.182 7.988 12.386 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.528 8.552 12.513 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.656 8.836 15.132 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.871 9.431 14.018 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.371 11.657 14.847 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.939 12.495 14.240 1.00 12.39 H new ATOM 500 N LEU A 32 9.920 7.928 14.515 1.00 6.80 N ATOM 501 CA LEU A 32 8.452 7.980 14.776 1.00 10.34 C ATOM 502 C LEU A 32 7.856 9.229 14.112 1.00 9.02 C ATOM 503 O LEU A 32 8.563 10.014 13.511 1.00 11.15 O ATOM 504 CB LEU A 32 8.223 8.034 16.286 1.00 10.20 C ATOM 505 CG LEU A 32 8.407 6.636 16.879 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.706 6.750 18.376 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.126 5.823 16.674 1.00 15.89 C ATOM 0 H LEU A 32 10.429 8.782 14.745 1.00 6.80 H new ATOM 0 HA LEU A 32 7.968 7.095 14.363 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.923 8.731 16.746 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.220 8.402 16.500 1.00 10.20 H new ATOM 0 HG LEU A 32 9.238 6.137 16.381 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.837 5.753 18.798 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.618 7.329 18.522 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.876 7.249 18.876 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.256 4.827 17.096 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.295 6.322 17.172 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.914 5.741 15.608 1.00 15.89 H new ATOM 519 N CYS A 33 6.562 9.419 14.203 1.00 9.68 N ATOM 520 CA CYS A 33 5.942 10.608 13.565 1.00 8.10 C ATOM 521 C CYS A 33 4.465 10.677 13.956 1.00 6.34 C ATOM 522 O CYS A 33 3.827 9.667 14.177 1.00 8.02 O ATOM 523 CB CYS A 33 6.029 10.475 12.046 1.00 8.88 C ATOM 524 SG CYS A 33 5.901 8.732 11.569 1.00 13.84 S ATOM 0 H CYS A 33 5.915 8.800 14.692 1.00 9.68 H new ATOM 0 HA CYS A 33 6.465 11.506 13.894 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.230 11.049 11.576 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.972 10.890 11.690 1.00 8.88 H new ATOM 0 HG CYS A 33 6.120 7.981 12.607 1.00 13.84 H new ATOM 530 N TYR A 34 3.908 11.853 14.014 1.00 7.35 N ATOM 531 CA TYR A 34 2.465 11.973 14.359 1.00 7.08 C ATOM 532 C TYR A 34 1.711 12.412 13.107 1.00 7.71 C ATOM 533 O TYR A 34 1.581 13.588 12.833 1.00 7.80 O ATOM 534 CB TYR A 34 2.271 13.027 15.443 1.00 8.67 C ATOM 535 CG TYR A 34 2.375 12.409 16.817 1.00 9.11 C ATOM 536 CD1 TYR A 34 3.276 11.373 17.072 1.00 12.44 C ATOM 537 CD2 TYR A 34 1.564 12.907 17.847 1.00 13.61 C ATOM 538 CE1 TYR A 34 3.362 10.833 18.361 1.00 16.38 C ATOM 539 CE2 TYR A 34 1.650 12.366 19.127 1.00 17.22 C ATOM 540 CZ TYR A 34 2.545 11.331 19.384 1.00 16.83 C ATOM 541 OH TYR A 34 2.633 10.798 20.653 1.00 21.14 O ATOM 0 H TYR A 34 4.388 12.735 13.838 1.00 7.35 H new ATOM 0 HA TYR A 34 2.094 11.015 14.723 1.00 7.08 H new ATOM 0 HB2 TYR A 34 3.022 13.810 15.334 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.297 13.501 15.325 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.903 10.991 16.280 1.00 12.44 H new ATOM 0 HD2 TYR A 34 0.872 13.711 17.647 1.00 13.61 H new ATOM 0 HE1 TYR A 34 4.058 10.033 18.566 1.00 16.38 H new ATOM 0 HE2 TYR A 34 1.024 12.749 19.919 1.00 17.22 H new ATOM 0 HH TYR A 34 2.000 11.256 21.245 1.00 21.14 H new ATOM 551 N VAL A 35 1.228 11.484 12.334 1.00 9.44 N ATOM 552 CA VAL A 35 0.503 11.868 11.090 1.00 10.66 C ATOM 553 C VAL A 35 -0.995 11.968 11.364 1.00 10.57 C ATOM 554 O VAL A 35 -1.638 10.997 11.711 1.00 8.31 O ATOM 555 CB VAL A 35 0.747 10.819 10.005 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.035 11.203 8.746 1.00 7.97 C ATOM 557 CG2 VAL A 35 2.242 10.761 9.680 1.00 9.86 C ATOM 0 H VAL A 35 1.302 10.481 12.506 1.00 9.44 H new ATOM 0 HA VAL A 35 0.873 12.837 10.754 1.00 10.66 H new ATOM 0 HB VAL A 35 0.415 9.843 10.358 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.136 10.457 7.970 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.099 11.247 8.978 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.300 12.178 8.393 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.417 10.013 8.906 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.575 11.736 9.324 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.799 10.492 10.577 1.00 9.86 H new ATOM 567 N ASP A 36 -1.562 13.133 11.202 1.00 8.58 N ATOM 568 CA ASP A 36 -3.013 13.280 11.438 1.00 11.48 C ATOM 569 C ASP A 36 -3.746 12.237 10.599 1.00 12.38 C ATOM 570 O ASP A 36 -4.817 11.784 10.944 1.00 11.89 O ATOM 571 CB ASP A 36 -3.463 14.683 11.025 1.00 16.17 C ATOM 572 CG ASP A 36 -4.812 14.998 11.673 1.00 17.97 C ATOM 573 OD1 ASP A 36 -5.429 14.080 12.187 1.00 25.89 O ATOM 574 OD2 ASP A 36 -5.206 16.152 11.644 1.00 15.67 O ATOM 0 H ASP A 36 -1.078 13.984 10.917 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.237 13.135 12.495 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.720 15.419 11.331 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.546 14.745 9.940 1.00 16.17 H new ATOM 579 N LEU A 37 -3.167 11.853 9.493 1.00 13.17 N ATOM 580 CA LEU A 37 -3.816 10.839 8.618 1.00 18.47 C ATOM 581 C LEU A 37 -5.304 11.156 8.499 1.00 21.14 C ATOM 582 O LEU A 37 -6.134 10.273 8.408 1.00 24.24 O ATOM 583 CB LEU A 37 -3.636 9.447 9.220 1.00 15.81 C ATOM 584 CG LEU A 37 -4.161 8.403 8.237 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.098 7.324 8.020 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.430 7.766 8.804 1.00 20.01 C ATOM 0 H LEU A 37 -2.268 12.201 9.158 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.356 10.863 7.630 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -2.583 9.264 9.435 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.172 9.375 10.166 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.389 8.881 7.284 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -3.474 6.579 7.318 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.194 7.780 7.616 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -2.868 6.843 8.971 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -5.807 7.020 8.104 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.203 7.287 9.757 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.187 8.536 8.956 1.00 20.01 H new ATOM 598 N GLY A 38 -5.647 12.411 8.497 1.00 20.70 N ATOM 599 CA GLY A 38 -7.079 12.792 8.384 1.00 23.91 C ATOM 600 C GLY A 38 -7.868 12.163 9.540 1.00 26.50 C ATOM 601 O GLY A 38 -9.064 11.965 9.453 1.00 31.02 O ATOM 0 H GLY A 38 -4.995 13.192 8.569 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.181 13.877 8.408 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.482 12.455 7.429 1.00 23.91 H new ATOM 605 N ASN A 39 -7.203 11.840 10.621 1.00 27.64 N ATOM 606 CA ASN A 39 -7.903 11.217 11.778 1.00 30.27 C ATOM 607 C ASN A 39 -8.248 12.281 12.825 1.00 26.79 C ATOM 608 O ASN A 39 -8.373 11.991 13.998 1.00 26.87 O ATOM 609 CB ASN A 39 -6.994 10.162 12.419 1.00 35.62 C ATOM 610 CG ASN A 39 -6.909 8.928 11.517 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.776 8.701 10.696 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.892 8.115 11.636 1.00 39.63 N ATOM 0 H ASN A 39 -6.201 11.983 10.749 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.822 10.751 11.422 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -5.998 10.576 12.578 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.383 9.881 13.398 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.826 7.290 11.040 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.165 8.306 12.325 1.00 39.63 H new ATOM 619 N GLU A 40 -8.403 13.508 12.414 1.00 25.15 N ATOM 620 CA GLU A 40 -8.742 14.586 13.391 1.00 23.81 C ATOM 621 C GLU A 40 -7.791 14.521 14.593 1.00 21.12 C ATOM 622 O GLU A 40 -8.091 15.016 15.661 1.00 19.86 O ATOM 623 CB GLU A 40 -10.183 14.401 13.871 1.00 27.22 C ATOM 624 CG GLU A 40 -11.147 14.932 12.809 1.00 34.87 C ATOM 625 CD GLU A 40 -12.564 14.983 13.384 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.689 15.177 14.582 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.499 14.825 12.617 1.00 39.54 O ATOM 0 H GLU A 40 -8.310 13.813 11.445 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.638 15.556 12.905 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.381 13.346 14.062 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.335 14.930 14.812 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.838 15.926 12.487 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.124 14.290 11.928 1.00 34.87 H new ATOM 634 N HIS A 41 -6.648 13.918 14.423 1.00 2.82 N ATOM 635 CA HIS A 41 -5.665 13.815 15.543 1.00 2.73 C ATOM 636 C HIS A 41 -4.389 13.179 14.995 1.00 1.96 C ATOM 637 O HIS A 41 -4.435 12.501 13.990 1.00 1.09 O ATOM 638 CB HIS A 41 -6.240 12.938 16.659 1.00 3.31 C ATOM 639 CG HIS A 41 -6.972 13.796 17.653 1.00 3.15 C ATOM 640 ND1 HIS A 41 -8.355 13.810 17.744 1.00 3.62 N ATOM 641 CD2 HIS A 41 -6.525 14.672 18.608 1.00 4.40 C ATOM 642 CE1 HIS A 41 -8.688 14.671 18.723 1.00 5.36 C ATOM 643 NE2 HIS A 41 -7.609 15.225 19.283 1.00 6.16 N ATOM 0 H HIS A 41 -6.348 13.487 13.548 1.00 2.82 H new ATOM 0 HA HIS A 41 -5.452 14.803 15.951 1.00 2.73 H new ATOM 0 HB2 HIS A 41 -6.917 12.195 16.238 1.00 3.31 H new ATOM 0 HB3 HIS A 41 -5.438 12.393 17.156 1.00 3.31 H new ATOM 0 HD2 HIS A 41 -5.488 14.899 18.807 1.00 4.40 H new ATOM 0 HE1 HIS A 41 -9.704 14.888 19.020 1.00 5.36 H new ATOM 0 HE2 HIS A 41 -7.585 15.906 20.042 1.00 6.16 H new ATOM 651 N PRO A 42 -3.285 13.415 15.656 1.00 15.11 N ATOM 652 CA PRO A 42 -1.987 12.877 15.223 1.00 16.08 C ATOM 653 C PRO A 42 -1.876 11.396 15.546 1.00 17.92 C ATOM 654 O PRO A 42 -2.375 10.926 16.549 1.00 17.13 O ATOM 655 CB PRO A 42 -0.969 13.655 16.046 1.00 16.41 C ATOM 656 CG PRO A 42 -1.726 14.175 17.287 1.00 13.79 C ATOM 657 CD PRO A 42 -3.221 14.219 16.895 1.00 16.28 C ATOM 0 HA PRO A 42 -1.842 12.977 14.147 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.135 13.017 16.338 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.552 14.481 15.470 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.567 13.519 18.143 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.370 15.164 17.574 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.852 13.798 17.678 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.560 15.241 16.727 1.00 16.28 H new ATOM 665 N VAL A 43 -1.204 10.662 14.715 1.00 16.29 N ATOM 666 CA VAL A 43 -1.035 9.222 14.985 1.00 14.28 C ATOM 667 C VAL A 43 0.450 8.910 15.040 1.00 9.00 C ATOM 668 O VAL A 43 1.173 9.091 14.080 1.00 7.99 O ATOM 669 CB VAL A 43 -1.695 8.410 13.875 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.117 8.921 13.641 1.00 18.07 C ATOM 671 CG2 VAL A 43 -0.879 8.554 12.587 1.00 20.57 C ATOM 0 H VAL A 43 -0.764 11.001 13.859 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.503 8.963 15.935 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.734 7.360 14.166 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.587 8.340 12.848 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.696 8.817 14.558 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.083 9.971 13.350 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.349 7.975 11.792 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.840 9.604 12.296 1.00 20.57 H new ATOM 0 HG23 VAL A 43 0.133 8.186 12.755 1.00 20.57 H new ATOM 681 N LEU A 44 0.912 8.449 16.160 1.00 10.19 N ATOM 682 CA LEU A 44 2.350 8.133 16.283 1.00 11.55 C ATOM 683 C LEU A 44 2.668 6.915 15.419 1.00 10.61 C ATOM 684 O LEU A 44 2.266 5.806 15.709 1.00 13.49 O ATOM 685 CB LEU A 44 2.669 7.845 17.741 1.00 10.60 C ATOM 686 CG LEU A 44 4.131 7.436 17.868 1.00 13.48 C ATOM 687 CD1 LEU A 44 5.015 8.456 17.150 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.515 7.376 19.348 1.00 20.21 C ATOM 0 H LEU A 44 0.354 8.277 16.996 1.00 10.19 H new ATOM 0 HA LEU A 44 2.954 8.975 15.945 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.473 8.728 18.349 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.024 7.050 18.116 1.00 10.60 H new ATOM 0 HG LEU A 44 4.274 6.455 17.415 1.00 13.48 H new ATOM 0 HD11 LEU A 44 6.060 8.161 17.243 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.741 8.496 16.096 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.875 9.439 17.599 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.561 7.083 19.441 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.371 8.357 19.801 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.887 6.645 19.857 1.00 20.21 H new ATOM 700 N VAL A 45 3.377 7.125 14.349 1.00 10.81 N ATOM 701 CA VAL A 45 3.720 5.998 13.440 1.00 9.29 C ATOM 702 C VAL A 45 5.235 5.814 13.405 1.00 9.95 C ATOM 703 O VAL A 45 5.983 6.635 13.898 1.00 9.36 O ATOM 704 CB VAL A 45 3.182 6.308 12.044 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.953 5.517 10.978 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.701 5.925 11.986 1.00 10.20 C ATOM 0 H VAL A 45 3.737 8.035 14.062 1.00 10.81 H new ATOM 0 HA VAL A 45 3.269 5.073 13.799 1.00 9.29 H new ATOM 0 HB VAL A 45 3.306 7.372 11.845 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.554 5.752 9.991 1.00 7.95 H new ATOM 0 HG12 VAL A 45 5.008 5.787 11.017 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.845 4.449 11.168 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.308 6.143 10.993 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.592 4.861 12.194 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.147 6.499 12.729 1.00 10.20 H new ATOM 716 N LYS A 46 5.694 4.736 12.836 1.00 10.76 N ATOM 717 CA LYS A 46 7.158 4.497 12.786 1.00 12.81 C ATOM 718 C LYS A 46 7.761 5.133 11.529 1.00 13.35 C ATOM 719 O LYS A 46 7.071 5.441 10.578 1.00 12.90 O ATOM 720 CB LYS A 46 7.429 2.990 12.777 1.00 17.04 C ATOM 721 CG LYS A 46 8.580 2.666 13.733 1.00 26.60 C ATOM 722 CD LYS A 46 8.267 1.374 14.490 1.00 33.77 C ATOM 723 CE LYS A 46 7.325 1.678 15.656 1.00 34.48 C ATOM 724 NZ LYS A 46 5.921 1.394 15.249 1.00 36.74 N ATOM 0 H LYS A 46 5.119 4.013 12.405 1.00 10.76 H new ATOM 0 HA LYS A 46 7.619 4.949 13.664 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.532 2.448 13.076 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.678 2.662 11.768 1.00 17.04 H new ATOM 0 HG2 LYS A 46 9.510 2.557 13.175 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.724 3.486 14.436 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.808 0.649 13.818 1.00 33.77 H new ATOM 0 HD3 LYS A 46 9.189 0.926 14.861 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.593 1.072 16.521 1.00 34.48 H new ATOM 0 HE3 LYS A 46 7.424 2.722 15.955 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 5.406 0.975 16.049 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 5.456 2.280 14.964 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 5.919 0.729 14.450 1.00 36.74 H new ATOM 738 N ILE A 47 9.054 5.323 11.527 1.00 13.96 N ATOM 739 CA ILE A 47 9.735 5.929 10.350 1.00 16.93 C ATOM 740 C ILE A 47 10.971 5.088 10.018 1.00 16.52 C ATOM 741 O ILE A 47 11.434 4.302 10.820 1.00 17.67 O ATOM 742 CB ILE A 47 10.158 7.373 10.696 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.075 8.352 10.238 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.483 7.736 10.008 1.00 18.08 C ATOM 745 CD1 ILE A 47 8.788 8.156 8.751 1.00 18.26 C ATOM 0 H ILE A 47 9.673 5.081 12.301 1.00 13.96 H new ATOM 0 HA ILE A 47 9.064 5.952 9.491 1.00 16.93 H new ATOM 0 HB ILE A 47 10.291 7.439 11.776 1.00 19.74 H new ATOM 0 HG12 ILE A 47 8.164 8.196 10.816 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.398 9.377 10.422 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.760 8.758 10.267 1.00 18.08 H new ATOM 0 HG22 ILE A 47 12.265 7.053 10.341 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.366 7.655 8.927 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.016 8.857 8.434 1.00 18.26 H new ATOM 0 HD12 ILE A 47 9.698 8.335 8.178 1.00 18.26 H new ATOM 0 HD13 ILE A 47 8.445 7.136 8.578 1.00 18.26 H new ATOM 757 N THR A 48 11.522 5.264 8.850 1.00 16.86 N ATOM 758 CA THR A 48 12.739 4.493 8.484 1.00 16.59 C ATOM 759 C THR A 48 13.935 5.448 8.470 1.00 19.04 C ATOM 760 O THR A 48 13.857 6.549 7.963 1.00 22.56 O ATOM 761 CB THR A 48 12.552 3.868 7.101 1.00 16.30 C ATOM 762 OG1 THR A 48 11.174 3.888 6.756 1.00 17.90 O ATOM 763 CG2 THR A 48 13.055 2.424 7.119 1.00 16.02 C ATOM 0 H THR A 48 11.182 5.907 8.135 1.00 16.86 H new ATOM 0 HA THR A 48 12.912 3.697 9.208 1.00 16.59 H new ATOM 0 HB THR A 48 13.119 4.438 6.365 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.050 4.411 5.936 1.00 17.90 H new ATOM 0 HG21 THR A 48 12.921 1.980 6.133 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.113 2.410 7.383 1.00 16.02 H new ATOM 0 HG23 THR A 48 12.490 1.851 7.855 1.00 16.02 H new ATOM 771 N LEU A 49 15.036 5.041 9.036 1.00 18.35 N ATOM 772 CA LEU A 49 16.233 5.926 9.074 1.00 18.82 C ATOM 773 C LEU A 49 17.420 5.202 8.434 1.00 20.06 C ATOM 774 O LEU A 49 17.786 4.115 8.835 1.00 18.35 O ATOM 775 CB LEU A 49 16.556 6.269 10.537 1.00 18.79 C ATOM 776 CG LEU A 49 16.447 7.777 10.763 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.682 8.474 10.186 1.00 20.41 C ATOM 778 CD2 LEU A 49 15.186 8.320 10.082 1.00 14.50 C ATOM 0 H LEU A 49 15.159 4.129 9.476 1.00 18.35 H new ATOM 0 HA LEU A 49 16.035 6.844 8.521 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.869 5.744 11.201 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.562 5.929 10.784 1.00 18.79 H new ATOM 0 HG LEU A 49 16.386 7.972 11.834 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.602 9.549 10.348 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.577 8.098 10.682 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.747 8.272 9.117 1.00 20.41 H new ATOM 0 HD21 LEU A 49 15.117 9.395 10.248 1.00 14.50 H new ATOM 0 HD22 LEU A 49 15.236 8.121 9.011 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.307 7.831 10.501 1.00 14.50 H new ATOM 790 N ASP A 50 18.021 5.794 7.437 1.00 22.62 N ATOM 791 CA ASP A 50 19.181 5.138 6.767 1.00 27.04 C ATOM 792 C ASP A 50 20.393 5.166 7.699 1.00 27.73 C ATOM 793 O ASP A 50 20.619 6.123 8.412 1.00 26.65 O ATOM 794 CB ASP A 50 19.514 5.887 5.475 1.00 29.11 C ATOM 795 CG ASP A 50 19.841 4.881 4.370 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.232 3.823 4.360 1.00 30.76 O ATOM 797 OD2 ASP A 50 20.694 5.185 3.552 1.00 33.99 O ATOM 0 H ASP A 50 17.759 6.704 7.057 1.00 22.62 H new ATOM 0 HA ASP A 50 18.927 4.104 6.533 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.671 6.510 5.176 1.00 29.11 H new ATOM 0 HB3 ASP A 50 20.361 6.553 5.637 1.00 29.11 H new ATOM 802 N GLU A 51 21.176 4.121 7.700 1.00 31.16 N ATOM 803 CA GLU A 51 22.372 4.084 8.585 1.00 34.22 C ATOM 804 C GLU A 51 23.187 5.366 8.403 1.00 34.98 C ATOM 805 O GLU A 51 23.836 5.562 7.395 1.00 34.19 O ATOM 806 CB GLU A 51 23.233 2.874 8.218 1.00 38.24 C ATOM 807 CG GLU A 51 24.543 2.923 9.004 1.00 46.84 C ATOM 808 CD GLU A 51 25.496 1.847 8.481 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.843 1.907 7.313 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.863 0.980 9.258 1.00 53.83 O ATOM 0 H GLU A 51 21.037 3.290 7.124 1.00 31.16 H new ATOM 0 HA GLU A 51 22.054 4.006 9.625 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.697 1.952 8.441 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.439 2.872 7.148 1.00 38.24 H new ATOM 0 HG2 GLU A 51 25.001 3.907 8.906 1.00 46.84 H new ATOM 0 HG3 GLU A 51 24.348 2.766 10.065 1.00 46.84 H new ATOM 817 N GLY A 52 23.162 6.239 9.372 1.00 34.53 N ATOM 818 CA GLY A 52 23.940 7.505 9.254 1.00 34.93 C ATOM 819 C GLY A 52 22.996 8.668 8.939 1.00 36.10 C ATOM 820 O GLY A 52 23.412 9.805 8.841 1.00 35.97 O ATOM 0 H GLY A 52 22.637 6.131 10.240 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.476 7.701 10.183 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.689 7.410 8.468 1.00 34.93 H new ATOM 824 N GLN A 53 21.730 8.396 8.778 1.00 36.52 N ATOM 825 CA GLN A 53 20.769 9.493 8.469 1.00 35.40 C ATOM 826 C GLN A 53 20.231 10.086 9.776 1.00 31.02 C ATOM 827 O GLN A 53 20.035 9.374 10.741 1.00 29.05 O ATOM 828 CB GLN A 53 19.607 8.935 7.645 1.00 41.20 C ATOM 829 CG GLN A 53 19.892 9.138 6.156 1.00 47.61 C ATOM 830 CD GLN A 53 18.594 8.986 5.361 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.516 9.038 5.920 1.00 53.91 O ATOM 832 NE2 GLN A 53 18.651 8.798 4.072 1.00 54.76 N ATOM 0 H GLN A 53 21.320 7.465 8.847 1.00 36.52 H new ATOM 0 HA GLN A 53 21.277 10.272 7.900 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.472 7.875 7.859 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.679 9.436 7.920 1.00 41.20 H new ATOM 0 HG2 GLN A 53 20.320 10.127 5.988 1.00 47.61 H new ATOM 0 HG3 GLN A 53 20.628 8.410 5.813 1.00 47.61 H new ATOM 0 HE21 GLN A 53 19.555 8.754 3.602 1.00 54.76 H new ATOM 0 HE22 GLN A 53 17.791 8.695 3.533 1.00 54.76 H new ATOM 841 N PRO A 54 20.008 11.377 9.767 1.00 27.43 N ATOM 842 CA PRO A 54 19.493 12.102 10.940 1.00 23.44 C ATOM 843 C PRO A 54 17.982 11.891 11.085 1.00 20.14 C ATOM 844 O PRO A 54 17.204 12.312 10.252 1.00 21.64 O ATOM 845 CB PRO A 54 19.812 13.563 10.631 1.00 24.39 C ATOM 846 CG PRO A 54 19.967 13.658 9.099 1.00 27.18 C ATOM 847 CD PRO A 54 20.251 12.233 8.590 1.00 28.37 C ATOM 0 HA PRO A 54 19.935 11.764 11.877 1.00 23.44 H new ATOM 0 HB2 PRO A 54 19.015 14.218 10.982 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.727 13.876 11.134 1.00 24.39 H new ATOM 0 HG2 PRO A 54 19.061 14.058 8.643 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.781 14.332 8.834 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.595 11.967 7.761 1.00 28.37 H new ATOM 0 HD3 PRO A 54 21.275 12.135 8.230 1.00 28.37 H new ATOM 855 N ALA A 55 17.564 11.243 12.138 1.00 17.21 N ATOM 856 CA ALA A 55 16.110 11.002 12.343 1.00 15.58 C ATOM 857 C ALA A 55 15.318 12.274 12.028 1.00 16.41 C ATOM 858 O ALA A 55 15.874 13.342 11.868 1.00 13.65 O ATOM 859 CB ALA A 55 15.876 10.605 13.798 1.00 13.98 C ATOM 0 H ALA A 55 18.171 10.869 12.868 1.00 17.21 H new ATOM 0 HA ALA A 55 15.776 10.205 11.679 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.813 10.426 13.960 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.435 9.697 14.022 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.212 11.409 14.453 1.00 13.98 H new ATOM 865 N TYR A 56 14.018 12.165 11.941 1.00 15.93 N ATOM 866 CA TYR A 56 13.183 13.362 11.637 1.00 14.61 C ATOM 867 C TYR A 56 13.268 14.358 12.798 1.00 15.51 C ATOM 868 O TYR A 56 12.970 14.036 13.931 1.00 17.19 O ATOM 869 CB TYR A 56 11.731 12.927 11.424 1.00 12.92 C ATOM 870 CG TYR A 56 11.611 12.273 10.064 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.990 12.980 8.917 1.00 12.42 C ATOM 872 CD2 TYR A 56 11.141 10.963 9.955 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.894 12.374 7.659 1.00 11.47 C ATOM 874 CE2 TYR A 56 11.048 10.357 8.696 1.00 7.90 C ATOM 875 CZ TYR A 56 11.422 11.059 7.551 1.00 10.29 C ATOM 876 OH TYR A 56 11.329 10.459 6.312 1.00 12.03 O ATOM 0 H TYR A 56 13.499 11.296 12.068 1.00 15.93 H new ATOM 0 HA TYR A 56 13.550 13.844 10.731 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.427 12.231 12.206 1.00 12.92 H new ATOM 0 HB3 TYR A 56 11.066 13.788 11.488 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.356 13.992 9.003 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.850 10.418 10.840 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.183 12.919 6.773 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.686 9.343 8.612 1.00 7.90 H new ATOM 0 HH TYR A 56 11.315 11.148 5.615 1.00 12.03 H new ATOM 886 N ALA A 57 13.682 15.565 12.519 1.00 13.38 N ATOM 887 CA ALA A 57 13.802 16.590 13.595 1.00 14.95 C ATOM 888 C ALA A 57 12.408 17.086 13.998 1.00 15.46 C ATOM 889 O ALA A 57 11.416 16.651 13.448 1.00 17.82 O ATOM 890 CB ALA A 57 14.634 17.763 13.075 1.00 14.98 C ATOM 0 H ALA A 57 13.943 15.886 11.587 1.00 13.38 H new ATOM 0 HA ALA A 57 14.288 16.151 14.466 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.727 18.518 13.856 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.626 17.409 12.793 1.00 14.98 H new ATOM 0 HB3 ALA A 57 14.143 18.200 12.205 1.00 14.98 H new ATOM 896 N PRO A 58 12.378 17.987 14.951 1.00 15.20 N ATOM 897 CA PRO A 58 11.120 18.567 15.456 1.00 16.55 C ATOM 898 C PRO A 58 10.594 19.628 14.487 1.00 16.75 C ATOM 899 O PRO A 58 11.213 20.651 14.273 1.00 17.28 O ATOM 900 CB PRO A 58 11.524 19.193 16.794 1.00 15.65 C ATOM 901 CG PRO A 58 13.050 19.435 16.720 1.00 14.16 C ATOM 902 CD PRO A 58 13.591 18.511 15.613 1.00 13.96 C ATOM 0 HA PRO A 58 10.320 17.834 15.562 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.990 20.128 16.962 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.276 18.531 17.623 1.00 15.65 H new ATOM 0 HG2 PRO A 58 13.266 20.479 16.493 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.524 19.212 17.676 1.00 14.16 H new ATOM 0 HD2 PRO A 58 14.222 19.057 14.912 1.00 13.96 H new ATOM 0 HD3 PRO A 58 14.197 17.706 16.028 1.00 13.96 H new ATOM 910 N GLY A 59 9.455 19.388 13.897 1.00 17.22 N ATOM 911 CA GLY A 59 8.886 20.376 12.939 1.00 15.08 C ATOM 912 C GLY A 59 7.746 19.724 12.158 1.00 14.96 C ATOM 913 O GLY A 59 7.817 18.568 11.807 1.00 13.79 O ATOM 0 H GLY A 59 8.893 18.548 14.038 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.520 21.251 13.476 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.660 20.723 12.254 1.00 15.08 H new ATOM 917 N LEU A 60 6.694 20.452 11.882 1.00 15.83 N ATOM 918 CA LEU A 60 5.556 19.860 11.119 1.00 14.53 C ATOM 919 C LEU A 60 6.102 19.006 9.975 1.00 14.15 C ATOM 920 O LEU A 60 7.114 19.327 9.384 1.00 13.27 O ATOM 921 CB LEU A 60 4.691 20.982 10.546 1.00 15.84 C ATOM 922 CG LEU A 60 3.445 21.152 11.411 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.831 21.804 12.741 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.434 22.039 10.680 1.00 15.01 C ATOM 0 H LEU A 60 6.575 21.428 12.152 1.00 15.83 H new ATOM 0 HA LEU A 60 4.955 19.239 11.783 1.00 14.53 H new ATOM 0 HB2 LEU A 60 5.257 21.913 10.516 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.406 20.749 9.520 1.00 15.84 H new ATOM 0 HG LEU A 60 2.999 20.176 11.602 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.941 21.925 13.359 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.550 21.171 13.261 1.00 19.57 H new ATOM 0 HD13 LEU A 60 4.277 22.780 12.552 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.544 22.161 11.297 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.879 23.015 10.488 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.159 21.573 9.734 1.00 15.01 H new ATOM 936 N TYR A 61 5.455 17.917 9.656 1.00 11.12 N ATOM 937 CA TYR A 61 5.970 17.064 8.555 1.00 9.57 C ATOM 938 C TYR A 61 4.940 16.904 7.457 1.00 11.76 C ATOM 939 O TYR A 61 3.765 17.174 7.619 1.00 11.26 O ATOM 940 CB TYR A 61 6.345 15.681 9.085 1.00 9.42 C ATOM 941 CG TYR A 61 7.774 15.730 9.541 1.00 10.29 C ATOM 942 CD1 TYR A 61 8.085 16.250 10.798 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.788 15.283 8.691 1.00 10.68 C ATOM 944 CE1 TYR A 61 9.418 16.327 11.208 1.00 13.99 C ATOM 945 CE2 TYR A 61 10.121 15.355 9.100 1.00 13.03 C ATOM 946 CZ TYR A 61 10.435 15.880 10.357 1.00 11.06 C ATOM 947 OH TYR A 61 11.752 15.958 10.765 1.00 14.61 O ATOM 0 H TYR A 61 4.602 17.587 10.107 1.00 11.12 H new ATOM 0 HA TYR A 61 6.852 17.556 8.145 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.691 15.399 9.910 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.219 14.928 8.307 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.297 16.592 11.452 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.541 14.882 7.719 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.663 16.730 12.179 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.907 15.006 8.447 1.00 13.03 H new ATOM 0 HH TYR A 61 11.805 16.461 11.604 1.00 14.61 H new ATOM 957 N THR A 62 5.396 16.416 6.353 1.00 12.22 N ATOM 958 CA THR A 62 4.514 16.156 5.206 1.00 14.26 C ATOM 959 C THR A 62 5.125 14.980 4.486 1.00 15.40 C ATOM 960 O THR A 62 6.267 15.019 4.079 1.00 16.24 O ATOM 961 CB THR A 62 4.462 17.363 4.284 1.00 15.07 C ATOM 962 OG1 THR A 62 5.727 17.540 3.660 1.00 18.36 O ATOM 963 CG2 THR A 62 4.110 18.603 5.101 1.00 11.61 C ATOM 0 H THR A 62 6.376 16.180 6.195 1.00 12.22 H new ATOM 0 HA THR A 62 3.492 15.955 5.526 1.00 14.26 H new ATOM 0 HB THR A 62 3.704 17.207 3.516 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.692 18.317 3.064 1.00 18.36 H new ATOM 0 HG21 THR A 62 4.071 19.472 4.445 1.00 11.61 H new ATOM 0 HG22 THR A 62 3.139 18.463 5.575 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.868 18.761 5.868 1.00 11.61 H new ATOM 971 N VAL A 63 4.411 13.920 4.357 1.00 14.65 N ATOM 972 CA VAL A 63 5.018 12.750 3.698 1.00 15.17 C ATOM 973 C VAL A 63 5.472 13.150 2.302 1.00 14.24 C ATOM 974 O VAL A 63 5.055 14.155 1.762 1.00 19.13 O ATOM 975 CB VAL A 63 4.042 11.584 3.639 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.837 10.303 3.393 1.00 14.85 C ATOM 977 CG2 VAL A 63 3.290 11.457 4.974 1.00 18.64 C ATOM 0 H VAL A 63 3.447 13.808 4.672 1.00 14.65 H new ATOM 0 HA VAL A 63 5.879 12.419 4.279 1.00 15.17 H new ATOM 0 HB VAL A 63 3.321 11.750 2.839 1.00 15.23 H new ATOM 0 HG11 VAL A 63 4.155 9.454 3.347 1.00 14.85 H new ATOM 0 HG12 VAL A 63 5.377 10.385 2.450 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.547 10.154 4.206 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.594 10.620 4.921 1.00 18.64 H new ATOM 0 HG22 VAL A 63 4.004 11.285 5.779 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.738 12.376 5.169 1.00 18.64 H new ATOM 987 N HIS A 64 6.341 12.382 1.727 1.00 13.31 N ATOM 988 CA HIS A 64 6.855 12.719 0.375 1.00 10.78 C ATOM 989 C HIS A 64 6.436 11.628 -0.608 1.00 14.19 C ATOM 990 O HIS A 64 6.491 10.448 -0.300 1.00 11.59 O ATOM 991 CB HIS A 64 8.382 12.822 0.424 1.00 11.86 C ATOM 992 CG HIS A 64 8.846 13.826 -0.597 1.00 13.39 C ATOM 993 ND1 HIS A 64 9.320 13.446 -1.842 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.887 15.198 -0.583 1.00 17.63 C ATOM 995 CE1 HIS A 64 9.612 14.563 -2.525 1.00 19.32 C ATOM 996 NE2 HIS A 64 9.369 15.663 -1.805 1.00 20.65 N ATOM 0 H HIS A 64 6.722 11.529 2.135 1.00 13.31 H new ATOM 0 HA HIS A 64 6.443 13.674 0.049 1.00 10.78 H new ATOM 0 HB2 HIS A 64 8.706 13.123 1.420 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.830 11.849 0.224 1.00 11.86 H new ATOM 0 HD2 HIS A 64 8.591 15.821 0.248 1.00 17.63 H new ATOM 0 HE1 HIS A 64 9.997 14.573 -3.534 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.507 16.633 -2.089 1.00 20.65 H new ATOM 1004 N LEU A 65 6.022 12.013 -1.790 1.00 12.93 N ATOM 1005 CA LEU A 65 5.597 11.002 -2.798 1.00 14.44 C ATOM 1006 C LEU A 65 6.825 10.246 -3.295 1.00 12.66 C ATOM 1007 O LEU A 65 6.717 9.267 -4.005 1.00 10.20 O ATOM 1008 CB LEU A 65 4.924 11.681 -3.997 1.00 14.94 C ATOM 1009 CG LEU A 65 4.000 12.813 -3.535 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.922 13.881 -4.627 1.00 15.75 C ATOM 1011 CD2 LEU A 65 2.605 12.254 -3.271 1.00 19.03 C ATOM 0 H LEU A 65 5.961 12.984 -2.097 1.00 12.93 H new ATOM 0 HA LEU A 65 4.888 10.320 -2.329 1.00 14.44 H new ATOM 0 HB2 LEU A 65 5.684 12.078 -4.669 1.00 14.94 H new ATOM 0 HB3 LEU A 65 4.351 10.946 -4.562 1.00 14.94 H new ATOM 0 HG LEU A 65 4.394 13.255 -2.620 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.265 14.687 -4.301 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.918 14.279 -4.818 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.527 13.438 -5.541 1.00 15.75 H new ATOM 0 HD21 LEU A 65 1.947 13.058 -2.942 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.210 11.813 -4.187 1.00 19.03 H new ATOM 0 HD23 LEU A 65 2.660 11.490 -2.495 1.00 19.03 H new ATOM 1023 N SER A 66 7.993 10.687 -2.925 1.00 13.51 N ATOM 1024 CA SER A 66 9.221 9.982 -3.378 1.00 10.39 C ATOM 1025 C SER A 66 9.031 8.488 -3.137 1.00 8.56 C ATOM 1026 O SER A 66 9.638 7.659 -3.785 1.00 11.70 O ATOM 1027 CB SER A 66 10.434 10.473 -2.587 1.00 12.88 C ATOM 1028 OG SER A 66 11.329 9.388 -2.380 1.00 14.72 O ATOM 0 H SER A 66 8.150 11.501 -2.331 1.00 13.51 H new ATOM 0 HA SER A 66 9.391 10.181 -4.436 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.935 11.275 -3.128 1.00 12.88 H new ATOM 0 HB3 SER A 66 10.116 10.885 -1.629 1.00 12.88 H new ATOM 0 HG SER A 66 11.871 9.253 -3.185 1.00 14.72 H new ATOM 1034 N SER A 67 8.189 8.140 -2.201 1.00 7.98 N ATOM 1035 CA SER A 67 7.958 6.702 -1.913 1.00 8.20 C ATOM 1036 C SER A 67 6.753 6.197 -2.710 1.00 11.02 C ATOM 1037 O SER A 67 6.528 5.008 -2.822 1.00 11.45 O ATOM 1038 CB SER A 67 7.691 6.512 -0.423 1.00 8.01 C ATOM 1039 OG SER A 67 8.609 7.301 0.324 1.00 11.22 O ATOM 0 H SER A 67 7.654 8.791 -1.626 1.00 7.98 H new ATOM 0 HA SER A 67 8.845 6.137 -2.201 1.00 8.20 H new ATOM 0 HB2 SER A 67 6.667 6.802 -0.185 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.795 5.461 -0.154 1.00 8.01 H new ATOM 0 HG SER A 67 9.053 6.740 0.994 1.00 11.22 H new ATOM 1045 N PHE A 68 5.961 7.086 -3.246 1.00 10.09 N ATOM 1046 CA PHE A 68 4.762 6.647 -4.009 1.00 11.79 C ATOM 1047 C PHE A 68 5.164 6.240 -5.421 1.00 12.69 C ATOM 1048 O PHE A 68 6.082 6.783 -6.004 1.00 14.25 O ATOM 1049 CB PHE A 68 3.745 7.792 -4.060 1.00 10.08 C ATOM 1050 CG PHE A 68 3.412 8.245 -2.655 1.00 11.89 C ATOM 1051 CD1 PHE A 68 3.985 7.608 -1.538 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.545 9.328 -2.467 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.687 8.055 -0.250 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.248 9.769 -1.174 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.820 9.132 -0.070 1.00 11.87 C ATOM 0 H PHE A 68 6.094 8.096 -3.188 1.00 10.09 H new ATOM 0 HA PHE A 68 4.311 5.787 -3.513 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.150 8.625 -4.634 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.839 7.464 -4.570 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.656 6.773 -1.678 1.00 12.12 H new ATOM 0 HD2 PHE A 68 2.106 9.823 -3.321 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.128 7.567 0.607 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.576 10.602 -1.029 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.590 9.475 0.928 1.00 11.87 H new ATOM 1065 N LYS A 69 4.480 5.279 -5.970 1.00 12.51 N ATOM 1066 CA LYS A 69 4.809 4.814 -7.344 1.00 15.38 C ATOM 1067 C LYS A 69 3.525 4.386 -8.051 1.00 15.02 C ATOM 1068 O LYS A 69 2.467 4.327 -7.457 1.00 15.36 O ATOM 1069 CB LYS A 69 5.767 3.624 -7.261 1.00 16.04 C ATOM 1070 CG LYS A 69 5.434 2.785 -6.025 1.00 20.35 C ATOM 1071 CD LYS A 69 5.730 1.311 -6.310 1.00 21.35 C ATOM 1072 CE LYS A 69 4.969 0.434 -5.313 1.00 30.24 C ATOM 1073 NZ LYS A 69 3.823 -0.223 -6.003 1.00 32.70 N ATOM 0 H LYS A 69 3.702 4.792 -5.524 1.00 12.51 H new ATOM 0 HA LYS A 69 5.282 5.622 -7.902 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.685 3.014 -8.161 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.797 3.976 -7.208 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.021 3.126 -5.173 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.384 2.911 -5.760 1.00 20.35 H new ATOM 0 HD2 LYS A 69 5.435 1.061 -7.329 1.00 21.35 H new ATOM 0 HD3 LYS A 69 6.801 1.123 -6.232 1.00 21.35 H new ATOM 0 HE2 LYS A 69 5.635 -0.320 -4.893 1.00 30.24 H new ATOM 0 HE3 LYS A 69 4.608 1.039 -4.481 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 3.306 -0.819 -5.326 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 3.184 0.504 -6.383 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 4.179 -0.813 -6.782 1.00 32.70 H new ATOM 1087 N VAL A 70 3.609 4.084 -9.315 1.00 13.65 N ATOM 1088 CA VAL A 70 2.391 3.657 -10.059 1.00 13.49 C ATOM 1089 C VAL A 70 2.473 2.156 -10.337 1.00 11.85 C ATOM 1090 O VAL A 70 3.270 1.703 -11.136 1.00 12.13 O ATOM 1091 CB VAL A 70 2.287 4.415 -11.383 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.821 4.744 -11.664 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.097 5.715 -11.311 1.00 15.63 C ATOM 0 H VAL A 70 4.467 4.114 -9.866 1.00 13.65 H new ATOM 0 HA VAL A 70 1.509 3.876 -9.457 1.00 13.49 H new ATOM 0 HB VAL A 70 2.686 3.792 -12.184 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.744 5.284 -12.607 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.246 3.820 -11.727 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.426 5.363 -10.858 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.016 6.247 -12.259 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.708 6.342 -10.509 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.143 5.481 -11.114 1.00 15.63 H new ATOM 1103 N GLY A 71 1.656 1.380 -9.681 1.00 11.15 N ATOM 1104 CA GLY A 71 1.686 -0.094 -9.902 1.00 11.07 C ATOM 1105 C GLY A 71 0.856 -0.444 -11.138 1.00 12.15 C ATOM 1106 O GLY A 71 0.398 0.424 -11.854 1.00 12.70 O ATOM 0 H GLY A 71 0.968 1.703 -9.001 1.00 11.15 H new ATOM 0 HA2 GLY A 71 2.714 -0.431 -10.034 1.00 11.07 H new ATOM 0 HA3 GLY A 71 1.291 -0.611 -9.028 1.00 11.07 H new ATOM 1110 N GLN A 72 0.661 -1.709 -11.397 1.00 15.78 N ATOM 1111 CA GLN A 72 -0.136 -2.108 -12.586 1.00 19.42 C ATOM 1112 C GLN A 72 -1.574 -2.361 -12.155 1.00 16.97 C ATOM 1113 O GLN A 72 -2.320 -3.070 -12.800 1.00 20.46 O ATOM 1114 CB GLN A 72 0.454 -3.379 -13.200 1.00 22.64 C ATOM 1115 CG GLN A 72 1.467 -3.001 -14.283 1.00 25.29 C ATOM 1116 CD GLN A 72 2.434 -1.951 -13.733 1.00 26.29 C ATOM 1117 OE1 GLN A 72 2.808 -1.029 -14.431 1.00 26.22 O ATOM 1118 NE2 GLN A 72 2.858 -2.051 -12.503 1.00 25.15 N ATOM 0 H GLN A 72 1.020 -2.481 -10.835 1.00 15.78 H new ATOM 0 HA GLN A 72 -0.111 -1.312 -13.331 1.00 19.42 H new ATOM 0 HB2 GLN A 72 0.938 -3.978 -12.428 1.00 22.64 H new ATOM 0 HB3 GLN A 72 -0.340 -3.991 -13.628 1.00 22.64 H new ATOM 0 HG2 GLN A 72 2.018 -3.885 -14.605 1.00 25.29 H new ATOM 0 HG3 GLN A 72 0.950 -2.611 -15.159 1.00 25.29 H new ATOM 0 HE21 GLN A 72 2.544 -2.825 -11.917 1.00 25.15 H new ATOM 0 HE22 GLN A 72 3.503 -1.356 -12.128 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.959 -1.779 -11.062 1.00 14.56 N ATOM 1128 CA PHE A 73 -3.350 -1.967 -10.560 1.00 14.60 C ATOM 1129 C PHE A 73 -4.219 -0.781 -10.990 1.00 15.63 C ATOM 1130 O PHE A 73 -5.425 -0.799 -10.843 1.00 17.80 O ATOM 1131 CB PHE A 73 -3.333 -2.059 -9.033 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.856 -3.409 -8.603 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.972 -3.963 -9.240 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -3.224 -4.106 -7.566 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -5.457 -5.215 -8.840 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -3.708 -5.357 -7.166 1.00 20.44 C ATOM 1137 CZ PHE A 73 -4.824 -5.912 -7.803 1.00 17.88 C ATOM 0 H PHE A 73 -1.370 -1.176 -10.487 1.00 14.56 H new ATOM 0 HA PHE A 73 -3.762 -2.886 -10.976 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -2.319 -1.915 -8.661 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.946 -1.266 -8.604 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -5.459 -3.425 -10.040 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -2.363 -3.678 -7.075 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -6.319 -5.643 -9.331 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -3.220 -5.894 -6.366 1.00 20.44 H new ATOM 0 HZ PHE A 73 -5.197 -6.878 -7.495 1.00 17.88 H new ATOM 1147 N GLY A 74 -3.618 0.249 -11.523 1.00 13.82 N ATOM 1148 CA GLY A 74 -4.413 1.432 -11.961 1.00 13.44 C ATOM 1149 C GLY A 74 -4.715 2.325 -10.756 1.00 10.42 C ATOM 1150 O GLY A 74 -5.801 2.853 -10.621 1.00 13.62 O ATOM 0 H GLY A 74 -2.612 0.322 -11.674 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -3.861 1.995 -12.714 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -5.343 1.105 -12.426 1.00 13.44 H new ATOM 1154 N SER A 75 -3.763 2.500 -9.880 1.00 12.64 N ATOM 1155 CA SER A 75 -4.001 3.360 -8.686 1.00 12.47 C ATOM 1156 C SER A 75 -2.673 3.621 -7.969 1.00 12.47 C ATOM 1157 O SER A 75 -1.853 2.738 -7.819 1.00 11.32 O ATOM 1158 CB SER A 75 -4.963 2.652 -7.732 1.00 11.21 C ATOM 1159 OG SER A 75 -6.298 2.853 -8.177 1.00 18.27 O ATOM 0 H SER A 75 -2.833 2.086 -9.939 1.00 12.64 H new ATOM 0 HA SER A 75 -4.434 4.308 -9.004 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.737 1.586 -7.693 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.842 3.040 -6.721 1.00 11.21 H new ATOM 0 HG SER A 75 -6.289 3.184 -9.100 1.00 18.27 H new ATOM 1165 N LEU A 76 -2.459 4.829 -7.524 1.00 12.43 N ATOM 1166 CA LEU A 76 -1.187 5.150 -6.815 1.00 12.18 C ATOM 1167 C LEU A 76 -0.907 4.078 -5.760 1.00 12.07 C ATOM 1168 O LEU A 76 -1.793 3.357 -5.345 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.317 6.514 -6.133 1.00 11.99 C ATOM 1170 CG LEU A 76 0.007 7.270 -6.243 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.205 8.558 -7.042 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.513 7.616 -4.840 1.00 7.80 C ATOM 0 H LEU A 76 -3.110 5.608 -7.621 1.00 12.43 H new ATOM 0 HA LEU A 76 -0.366 5.177 -7.532 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -2.116 7.090 -6.599 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.587 6.384 -5.085 1.00 11.99 H new ATOM 0 HG LEU A 76 0.742 6.646 -6.751 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.739 9.097 -7.120 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.566 8.312 -8.040 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.939 9.184 -6.535 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.457 8.155 -4.916 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.222 8.241 -4.332 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.664 6.699 -4.271 1.00 7.80 H new ATOM 1184 N MET A 77 0.317 3.967 -5.319 1.00 14.08 N ATOM 1185 CA MET A 77 0.644 2.940 -4.290 1.00 14.12 C ATOM 1186 C MET A 77 1.933 3.330 -3.563 1.00 11.37 C ATOM 1187 O MET A 77 3.016 3.247 -4.108 1.00 11.44 O ATOM 1188 CB MET A 77 0.832 1.581 -4.966 1.00 16.48 C ATOM 1189 CG MET A 77 -0.537 0.965 -5.264 1.00 24.75 C ATOM 1190 SD MET A 77 -0.394 -0.840 -5.288 1.00 35.11 S ATOM 1191 CE MET A 77 -1.851 -1.197 -4.277 1.00 33.86 C ATOM 0 H MET A 77 1.102 4.541 -5.626 1.00 14.08 H new ATOM 0 HA MET A 77 -0.172 2.879 -3.570 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.399 1.698 -5.890 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.408 0.918 -4.320 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.259 1.273 -4.508 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.908 1.324 -6.224 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.957 -2.275 -4.160 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.735 -0.735 -3.296 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.739 -0.796 -4.765 1.00 33.86 H new ATOM 1201 N ILE A 78 1.822 3.752 -2.334 1.00 11.78 N ATOM 1202 CA ILE A 78 3.035 4.147 -1.563 1.00 11.62 C ATOM 1203 C ILE A 78 3.986 2.952 -1.443 1.00 11.45 C ATOM 1204 O ILE A 78 3.570 1.839 -1.192 1.00 12.59 O ATOM 1205 CB ILE A 78 2.625 4.589 -0.164 1.00 12.05 C ATOM 1206 CG1 ILE A 78 1.648 5.766 -0.267 1.00 7.09 C ATOM 1207 CG2 ILE A 78 3.872 4.998 0.629 1.00 10.70 C ATOM 1208 CD1 ILE A 78 1.378 6.337 1.128 1.00 13.67 C ATOM 0 H ILE A 78 0.941 3.841 -1.828 1.00 11.78 H new ATOM 0 HA ILE A 78 3.535 4.964 -2.082 1.00 11.62 H new ATOM 0 HB ILE A 78 2.133 3.766 0.354 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.063 6.540 -0.913 1.00 7.09 H new ATOM 0 HG13 ILE A 78 0.714 5.437 -0.723 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.579 5.314 1.630 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.552 4.149 0.701 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.373 5.822 0.120 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.683 7.173 1.051 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.944 5.562 1.761 1.00 13.67 H new ATOM 0 HD13 ILE A 78 2.314 6.682 1.567 1.00 13.67 H new ATOM 1220 N ASP A 79 5.259 3.180 -1.603 1.00 10.05 N ATOM 1221 CA ASP A 79 6.243 2.063 -1.481 1.00 14.79 C ATOM 1222 C ASP A 79 6.940 2.166 -0.123 1.00 15.20 C ATOM 1223 O ASP A 79 7.456 1.203 0.407 1.00 18.10 O ATOM 1224 CB ASP A 79 7.280 2.168 -2.601 1.00 12.21 C ATOM 1225 CG ASP A 79 7.910 0.796 -2.846 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.167 -0.169 -2.925 1.00 21.87 O ATOM 1227 OD2 ASP A 79 9.123 0.733 -2.950 1.00 24.06 O ATOM 0 H ASP A 79 5.664 4.092 -1.813 1.00 10.05 H new ATOM 0 HA ASP A 79 5.729 1.105 -1.561 1.00 14.79 H new ATOM 0 HB2 ASP A 79 6.809 2.531 -3.514 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.050 2.890 -2.331 1.00 12.21 H new ATOM 1232 N ARG A 80 6.939 3.339 0.439 1.00 17.08 N ATOM 1233 CA ARG A 80 7.575 3.562 1.767 1.00 17.14 C ATOM 1234 C ARG A 80 7.574 5.060 2.030 1.00 14.98 C ATOM 1235 O ARG A 80 8.600 5.710 2.049 1.00 16.47 O ATOM 1236 CB ARG A 80 9.008 3.023 1.773 1.00 17.78 C ATOM 1237 CG ARG A 80 9.702 3.430 3.076 1.00 22.76 C ATOM 1238 CD ARG A 80 10.131 2.178 3.843 1.00 28.43 C ATOM 1239 NE ARG A 80 11.052 1.367 2.998 1.00 33.10 N ATOM 1240 CZ ARG A 80 11.776 0.422 3.537 1.00 30.84 C ATOM 1241 NH1 ARG A 80 11.698 0.186 4.819 1.00 33.12 N ATOM 1242 NH2 ARG A 80 12.581 -0.286 2.793 1.00 35.04 N ATOM 0 H ARG A 80 6.516 4.170 0.027 1.00 17.08 H new ATOM 0 HA ARG A 80 7.022 3.036 2.545 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.000 1.937 1.677 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.559 3.415 0.918 1.00 17.78 H new ATOM 0 HG2 ARG A 80 10.571 4.051 2.858 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.027 4.030 3.687 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.627 2.460 4.772 1.00 28.43 H new ATOM 0 HD3 ARG A 80 9.256 1.588 4.115 1.00 28.43 H new ATOM 0 HE ARG A 80 11.118 1.550 1.997 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.071 0.740 5.402 1.00 33.12 H new ATOM 0 HH12 ARG A 80 12.264 -0.552 5.237 1.00 33.12 H new ATOM 0 HH21 ARG A 80 12.645 -0.102 1.792 1.00 35.04 H new ATOM 0 HH22 ARG A 80 13.147 -1.024 3.213 1.00 35.04 H new ATOM 1256 N LEU A 81 6.398 5.589 2.193 1.00 11.03 N ATOM 1257 CA LEU A 81 6.194 7.046 2.422 1.00 11.27 C ATOM 1258 C LEU A 81 7.458 7.733 2.965 1.00 15.61 C ATOM 1259 O LEU A 81 7.950 7.414 4.029 1.00 18.56 O ATOM 1260 CB LEU A 81 5.008 7.208 3.381 1.00 13.62 C ATOM 1261 CG LEU A 81 5.494 7.348 4.821 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.295 7.620 5.732 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.174 6.042 5.247 1.00 18.72 C ATOM 0 H LEU A 81 5.533 5.049 2.176 1.00 11.03 H new ATOM 0 HA LEU A 81 5.980 7.537 1.473 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.425 8.086 3.102 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.346 6.346 3.297 1.00 13.62 H new ATOM 0 HG LEU A 81 6.203 8.173 4.897 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.636 7.721 6.762 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.803 8.542 5.421 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.590 6.791 5.663 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.525 6.133 6.275 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.460 5.221 5.178 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.021 5.842 4.591 1.00 18.72 H new ATOM 1275 N ARG A 82 7.979 8.687 2.233 1.00 13.37 N ATOM 1276 CA ARG A 82 9.198 9.411 2.697 1.00 12.72 C ATOM 1277 C ARG A 82 8.761 10.659 3.467 1.00 13.33 C ATOM 1278 O ARG A 82 8.333 11.637 2.887 1.00 13.27 O ATOM 1279 CB ARG A 82 10.038 9.826 1.487 1.00 13.85 C ATOM 1280 CG ARG A 82 11.420 9.175 1.574 1.00 16.22 C ATOM 1281 CD ARG A 82 12.120 9.283 0.217 1.00 16.62 C ATOM 1282 NE ARG A 82 13.569 9.561 0.425 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.414 9.404 -0.559 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.993 9.006 -1.730 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.683 9.646 -0.372 1.00 16.89 N ATOM 0 H ARG A 82 7.610 8.994 1.333 1.00 13.37 H new ATOM 0 HA ARG A 82 9.794 8.764 3.341 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.540 9.524 0.565 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.137 10.911 1.455 1.00 13.85 H new ATOM 0 HG2 ARG A 82 12.017 9.665 2.343 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.324 8.129 1.863 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.994 8.357 -0.344 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.668 10.079 -0.375 1.00 16.62 H new ATOM 0 HE ARG A 82 13.902 9.874 1.337 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.002 8.817 -1.878 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.656 8.885 -2.496 1.00 20.55 H new ATOM 0 HH21 ARG A 82 16.014 9.957 0.541 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.344 9.524 -1.139 1.00 16.89 H new ATOM 1299 N LEU A 83 8.839 10.627 4.768 1.00 13.53 N ATOM 1300 CA LEU A 83 8.398 11.805 5.564 1.00 13.86 C ATOM 1301 C LEU A 83 9.398 12.953 5.466 1.00 13.02 C ATOM 1302 O LEU A 83 10.596 12.761 5.401 1.00 14.40 O ATOM 1303 CB LEU A 83 8.224 11.422 7.032 1.00 9.93 C ATOM 1304 CG LEU A 83 7.136 12.298 7.640 1.00 8.07 C ATOM 1305 CD1 LEU A 83 5.796 11.560 7.595 1.00 8.88 C ATOM 1306 CD2 LEU A 83 7.494 12.625 9.092 1.00 10.58 C ATOM 0 H LEU A 83 9.188 9.838 5.313 1.00 13.53 H new ATOM 0 HA LEU A 83 7.444 12.135 5.152 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.954 10.370 7.118 1.00 9.93 H new ATOM 0 HB3 LEU A 83 9.162 11.556 7.571 1.00 9.93 H new ATOM 0 HG LEU A 83 7.056 13.223 7.070 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.019 12.189 8.031 1.00 8.88 H new ATOM 0 HD12 LEU A 83 5.541 11.332 6.560 1.00 8.88 H new ATOM 0 HD13 LEU A 83 5.872 10.632 8.162 1.00 8.88 H new ATOM 0 HD21 LEU A 83 6.715 13.252 9.526 1.00 10.58 H new ATOM 0 HD22 LEU A 83 7.577 11.700 9.663 1.00 10.58 H new ATOM 0 HD23 LEU A 83 8.445 13.156 9.121 1.00 10.58 H new ATOM 1318 N VAL A 84 8.887 14.150 5.471 1.00 11.81 N ATOM 1319 CA VAL A 84 9.743 15.357 5.397 1.00 12.86 C ATOM 1320 C VAL A 84 9.026 16.478 6.155 1.00 14.98 C ATOM 1321 O VAL A 84 7.820 16.442 6.295 1.00 13.59 O ATOM 1322 CB VAL A 84 9.923 15.752 3.934 1.00 14.61 C ATOM 1323 CG1 VAL A 84 10.994 14.869 3.291 1.00 17.65 C ATOM 1324 CG2 VAL A 84 8.598 15.574 3.188 1.00 17.34 C ATOM 0 H VAL A 84 7.887 14.344 5.525 1.00 11.81 H new ATOM 0 HA VAL A 84 10.724 15.171 5.834 1.00 12.86 H new ATOM 0 HB VAL A 84 10.233 16.795 3.878 1.00 14.61 H new ATOM 0 HG11 VAL A 84 11.121 15.153 2.246 1.00 17.65 H new ATOM 0 HG12 VAL A 84 11.938 14.999 3.820 1.00 17.65 H new ATOM 0 HG13 VAL A 84 10.687 13.825 3.348 1.00 17.65 H new ATOM 0 HG21 VAL A 84 8.728 15.856 2.143 1.00 17.34 H new ATOM 0 HG22 VAL A 84 8.285 14.531 3.246 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.836 16.207 3.643 1.00 17.34 H new ATOM 1334 N PRO A 85 9.771 17.440 6.617 1.00 18.65 N ATOM 1335 CA PRO A 85 9.202 18.577 7.357 1.00 22.41 C ATOM 1336 C PRO A 85 8.257 19.380 6.453 1.00 25.70 C ATOM 1337 O PRO A 85 8.507 19.554 5.276 1.00 22.08 O ATOM 1338 CB PRO A 85 10.428 19.377 7.801 1.00 21.19 C ATOM 1339 CG PRO A 85 11.572 18.939 6.873 1.00 18.95 C ATOM 1340 CD PRO A 85 11.227 17.506 6.431 1.00 20.63 C ATOM 0 HA PRO A 85 8.592 18.286 8.212 1.00 22.41 H new ATOM 0 HB2 PRO A 85 10.246 20.449 7.719 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.671 19.174 8.844 1.00 21.19 H new ATOM 0 HG2 PRO A 85 11.655 19.604 6.013 1.00 18.95 H new ATOM 0 HG3 PRO A 85 12.530 18.968 7.392 1.00 18.95 H new ATOM 0 HD2 PRO A 85 11.509 17.325 5.394 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.745 16.762 7.036 1.00 20.63 H new ATOM 1348 N ALA A 86 7.160 19.849 6.989 1.00 31.74 N ATOM 1349 CA ALA A 86 6.182 20.616 6.162 1.00 39.94 C ATOM 1350 C ALA A 86 6.774 21.981 5.806 1.00 46.96 C ATOM 1351 O ALA A 86 6.962 22.827 6.657 1.00 49.29 O ATOM 1352 CB ALA A 86 4.887 20.807 6.956 1.00 39.70 C ATOM 0 H ALA A 86 6.899 19.733 7.968 1.00 31.74 H new ATOM 0 HA ALA A 86 5.968 20.067 5.245 1.00 39.94 H new ATOM 0 HB1 ALA A 86 4.171 21.367 6.355 1.00 39.70 H new ATOM 0 HB2 ALA A 86 4.467 19.833 7.207 1.00 39.70 H new ATOM 0 HB3 ALA A 86 5.100 21.357 7.872 1.00 39.70 H new ATOM 1358 N LYS A 87 7.070 22.200 4.555 1.00 51.78 N ATOM 1359 CA LYS A 87 7.652 23.510 4.146 1.00 55.12 C ATOM 1360 C LYS A 87 6.523 24.501 3.854 1.00 55.82 C ATOM 1361 O LYS A 87 6.694 25.320 2.966 1.00 58.05 O ATOM 1362 CB LYS A 87 8.501 23.320 2.887 1.00 52.96 C ATOM 1363 CG LYS A 87 9.862 23.991 3.081 1.00 55.49 C ATOM 1364 CD LYS A 87 10.823 23.014 3.762 1.00 56.64 C ATOM 1365 CE LYS A 87 12.248 23.267 3.265 1.00 58.91 C ATOM 1366 NZ LYS A 87 12.537 22.374 2.108 1.00 58.16 N ATOM 1367 OXT LYS A 87 5.506 24.424 4.524 1.00 57.66 O ATOM 0 H LYS A 87 6.934 21.530 3.798 1.00 51.78 H new ATOM 0 HA LYS A 87 8.277 23.897 4.951 1.00 55.12 H new ATOM 0 HB2 LYS A 87 8.634 22.258 2.682 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.992 23.750 2.024 1.00 52.96 H new ATOM 0 HG2 LYS A 87 10.266 24.302 2.118 1.00 55.49 H new ATOM 0 HG3 LYS A 87 9.752 24.891 3.686 1.00 55.49 H new ATOM 0 HD2 LYS A 87 10.777 23.137 4.844 1.00 56.64 H new ATOM 0 HD3 LYS A 87 10.528 21.987 3.545 1.00 56.64 H new ATOM 0 HE2 LYS A 87 12.362 24.310 2.970 1.00 58.91 H new ATOM 0 HE3 LYS A 87 12.962 23.083 4.067 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 13.505 22.546 1.770 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 12.445 21.381 2.404 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 11.863 22.571 1.341 1.00 58.16 H new ATOM 1382 N MET B 1 2.081 17.250 -1.670 1.00 42.32 N ATOM 1383 CA MET B 1 0.666 17.002 -2.069 1.00 40.89 C ATOM 1384 C MET B 1 0.633 16.082 -3.287 1.00 34.75 C ATOM 1385 O MET B 1 1.114 16.427 -4.348 1.00 33.97 O ATOM 1386 CB MET B 1 -0.006 18.331 -2.424 1.00 48.45 C ATOM 1387 CG MET B 1 -1.377 18.065 -3.055 1.00 56.13 C ATOM 1388 SD MET B 1 -2.638 19.002 -2.156 1.00 64.91 S ATOM 1389 CE MET B 1 -2.292 20.616 -2.897 1.00 63.43 C ATOM 0 H1 MET B 1 2.103 17.877 -0.840 1.00 42.32 H new ATOM 0 H2 MET B 1 2.538 16.346 -1.434 1.00 42.32 H new ATOM 0 H3 MET B 1 2.590 17.700 -2.457 1.00 42.32 H new ATOM 0 HA MET B 1 0.135 16.533 -1.241 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.120 18.943 -1.529 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.621 18.893 -3.116 1.00 48.45 H new ATOM 0 HG2 MET B 1 -1.370 18.357 -4.105 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.606 17.000 -3.021 1.00 56.13 H new ATOM 0 HE1 MET B 1 -3.066 21.325 -2.602 1.00 63.43 H new ATOM 0 HE2 MET B 1 -1.322 20.974 -2.553 1.00 63.43 H new ATOM 0 HE3 MET B 1 -2.280 20.523 -3.983 1.00 63.43 H new ATOM 1401 N ILE B 2 0.057 14.919 -3.151 1.00 28.59 N ATOM 1402 CA ILE B 2 -0.019 13.992 -4.313 1.00 24.58 C ATOM 1403 C ILE B 2 -0.832 14.678 -5.412 1.00 19.29 C ATOM 1404 O ILE B 2 -2.020 14.466 -5.551 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.702 12.692 -3.882 1.00 25.10 C ATOM 1406 CG1 ILE B 2 -0.116 12.213 -2.556 1.00 28.92 C ATOM 1407 CG2 ILE B 2 -0.473 11.615 -4.939 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -1.251 11.807 -1.626 1.00 33.80 C ATOM 0 H ILE B 2 -0.363 14.572 -2.288 1.00 28.59 H new ATOM 0 HA ILE B 2 0.978 13.753 -4.683 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.770 12.877 -3.767 1.00 25.10 H new ATOM 0 HG12 ILE B 2 0.553 11.369 -2.724 1.00 28.92 H new ATOM 0 HG13 ILE B 2 0.479 13.005 -2.100 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.961 10.691 -4.629 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.891 11.944 -5.890 1.00 23.06 H new ATOM 0 HG23 ILE B 2 0.597 11.440 -5.054 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.839 11.464 -0.677 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.902 12.664 -1.450 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.826 11.002 -2.084 1.00 33.80 H new ATOM 1420 N LYS B 3 -0.195 15.527 -6.170 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.910 16.276 -7.242 1.00 16.66 C ATOM 1422 C LYS B 3 -1.315 15.352 -8.388 1.00 14.94 C ATOM 1423 O LYS B 3 -1.048 14.167 -8.384 1.00 13.94 O ATOM 1424 CB LYS B 3 0.006 17.374 -7.785 1.00 16.94 C ATOM 1425 CG LYS B 3 -0.003 18.569 -6.831 1.00 17.85 C ATOM 1426 CD LYS B 3 0.786 19.723 -7.451 1.00 19.63 C ATOM 1427 CE LYS B 3 0.041 21.037 -7.211 1.00 26.28 C ATOM 1428 NZ LYS B 3 -0.161 21.233 -5.748 1.00 32.72 N ATOM 0 H LYS B 3 0.800 15.736 -6.092 1.00 18.14 H new ATOM 0 HA LYS B 3 -1.814 16.709 -6.813 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.021 16.993 -7.896 1.00 16.94 H new ATOM 0 HB3 LYS B 3 -0.329 17.684 -8.775 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -1.028 18.881 -6.632 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.436 18.287 -5.874 1.00 17.85 H new ATOM 0 HD2 LYS B 3 1.783 19.773 -7.013 1.00 19.63 H new ATOM 0 HD3 LYS B 3 0.915 19.556 -8.520 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.609 21.870 -7.625 1.00 26.28 H new ATOM 0 HE3 LYS B 3 -0.921 21.021 -7.723 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 -1.178 21.308 -5.545 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 0.237 20.423 -5.231 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.318 22.105 -5.445 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.964 15.909 -9.374 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.407 15.109 -10.546 1.00 12.99 C ATOM 1444 C VAL B 4 -3.276 15.992 -11.449 1.00 14.26 C ATOM 1445 O VAL B 4 -3.685 17.073 -11.077 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.202 13.882 -10.061 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.961 14.240 -8.790 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -4.197 13.422 -11.137 1.00 10.41 C ATOM 0 H VAL B 4 -2.208 16.898 -9.415 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.543 14.760 -11.112 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.503 13.070 -9.860 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.524 13.372 -8.446 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -3.254 14.544 -8.018 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.649 15.060 -8.996 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.749 12.554 -10.775 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.895 14.230 -11.357 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.654 13.155 -12.044 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.549 15.532 -12.635 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.382 16.326 -13.583 1.00 10.51 C ATOM 1460 C GLU B 5 -5.305 15.388 -14.346 1.00 10.00 C ATOM 1461 O GLU B 5 -4.878 14.605 -15.167 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.472 17.058 -14.567 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.937 18.324 -13.903 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.844 18.941 -14.777 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.418 18.283 -15.711 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.452 20.062 -14.498 1.00 19.38 O ATOM 0 H GLU B 5 -3.229 14.632 -12.994 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.976 17.053 -13.029 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.646 16.413 -14.867 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -4.024 17.312 -15.472 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.746 19.039 -13.757 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.538 18.088 -12.917 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.572 15.467 -14.090 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.515 14.578 -14.826 1.00 10.60 C ATOM 1475 C ILE B 6 -7.611 15.098 -16.269 1.00 10.16 C ATOM 1476 O ILE B 6 -8.220 16.116 -16.531 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.892 14.559 -14.112 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -9.169 13.138 -13.613 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -10.019 14.982 -15.057 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.912 13.063 -12.106 1.00 13.81 C ATOM 0 H ILE B 6 -6.998 16.099 -13.412 1.00 9.86 H new ATOM 0 HA ILE B 6 -7.160 13.547 -14.843 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.859 15.265 -13.282 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -10.200 12.860 -13.830 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.530 12.427 -14.137 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.969 14.957 -14.524 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.831 15.993 -15.417 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -10.060 14.297 -15.904 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -9.110 12.051 -11.753 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.873 13.322 -11.901 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.570 13.762 -11.590 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.993 14.418 -17.205 1.00 11.63 N ATOM 1493 CA LYS B 7 -7.030 14.889 -18.616 1.00 11.59 C ATOM 1494 C LYS B 7 -8.481 15.080 -19.052 1.00 12.98 C ATOM 1495 O LYS B 7 -9.382 14.526 -18.455 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.358 13.845 -19.515 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.950 13.553 -19.010 1.00 14.26 C ATOM 1498 CD LYS B 7 -4.000 14.663 -19.465 1.00 15.70 C ATOM 1499 CE LYS B 7 -4.164 15.881 -18.556 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.823 16.440 -18.226 1.00 25.43 N ATOM 0 H LYS B 7 -6.466 13.559 -17.048 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.500 15.838 -18.699 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.947 12.928 -19.525 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.317 14.209 -20.542 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.950 13.484 -17.922 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.609 12.590 -19.390 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -2.969 14.309 -19.434 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -4.212 14.936 -20.499 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -4.773 16.638 -19.051 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -4.687 15.598 -17.642 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.935 17.269 -17.608 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.256 15.718 -17.738 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -2.340 16.725 -19.102 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.664 15.850 -20.094 1.00 13.56 N ATOM 1515 CA PRO B 8 -10.000 16.114 -20.642 1.00 11.93 C ATOM 1516 C PRO B 8 -10.495 14.871 -21.378 1.00 10.20 C ATOM 1517 O PRO B 8 -11.645 14.773 -21.758 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.780 17.296 -21.591 1.00 12.78 C ATOM 1519 CG PRO B 8 -8.277 17.288 -21.951 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.565 16.514 -20.826 1.00 13.61 C ATOM 0 HA PRO B 8 -10.754 16.344 -19.889 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.395 17.196 -22.486 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -10.061 18.235 -21.114 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -8.111 16.810 -22.916 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.891 18.304 -22.028 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.858 15.788 -21.227 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -7.001 17.184 -20.177 1.00 13.61 H new ATOM 1528 N SER B 9 -9.630 13.909 -21.559 1.00 10.65 N ATOM 1529 CA SER B 9 -10.039 12.656 -22.244 1.00 10.83 C ATOM 1530 C SER B 9 -10.386 11.605 -21.185 1.00 10.94 C ATOM 1531 O SER B 9 -10.631 10.455 -21.493 1.00 13.16 O ATOM 1532 CB SER B 9 -8.890 12.148 -23.115 1.00 13.01 C ATOM 1533 OG SER B 9 -9.379 11.870 -24.421 1.00 15.52 O ATOM 0 H SER B 9 -8.655 13.940 -21.260 1.00 10.65 H new ATOM 0 HA SER B 9 -10.907 12.846 -22.876 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.097 12.894 -23.162 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.456 11.249 -22.677 1.00 13.01 H new ATOM 0 HG SER B 9 -8.645 11.546 -24.983 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.421 11.995 -19.935 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.765 11.022 -18.857 1.00 11.55 C ATOM 1541 C GLN B 10 -11.612 11.729 -17.796 1.00 13.72 C ATOM 1542 O GLN B 10 -11.473 11.486 -16.614 1.00 17.31 O ATOM 1543 CB GLN B 10 -9.502 10.448 -18.193 1.00 6.60 C ATOM 1544 CG GLN B 10 -8.257 11.222 -18.626 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.272 11.294 -17.460 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -6.139 10.870 -17.578 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.658 11.818 -16.331 1.00 4.80 N ATOM 0 H GLN B 10 -10.226 12.944 -19.616 1.00 10.02 H new ATOM 0 HA GLN B 10 -11.320 10.198 -19.305 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -9.604 10.493 -17.109 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -9.392 9.397 -18.459 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.790 10.733 -19.481 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -8.533 12.227 -18.946 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -8.609 12.174 -16.233 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.009 11.872 -15.546 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.485 12.608 -18.209 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.335 13.335 -17.225 1.00 18.95 C ATOM 1558 C ALA B 11 -14.601 12.526 -16.935 1.00 20.75 C ATOM 1559 O ALA B 11 -15.560 13.032 -16.387 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.723 14.700 -17.798 1.00 17.72 C ATOM 0 H ALA B 11 -12.646 12.854 -19.186 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.776 13.472 -16.299 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.345 15.233 -17.079 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.822 15.280 -17.998 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -14.279 14.561 -18.725 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.613 11.273 -17.298 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.811 10.435 -17.046 1.00 25.43 C ATOM 1568 C GLN B 12 -15.351 9.012 -16.693 1.00 22.80 C ATOM 1569 O GLN B 12 -14.384 8.514 -17.236 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.688 10.437 -18.312 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.281 9.049 -18.558 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.441 9.153 -19.550 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.232 9.165 -20.747 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.663 9.228 -19.100 1.00 47.90 N ATOM 0 H GLN B 12 -13.840 10.795 -17.760 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.397 10.827 -16.215 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -17.490 11.167 -18.204 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.093 10.742 -19.173 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.515 8.379 -18.949 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.630 8.620 -17.619 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.838 9.218 -18.095 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -20.444 9.297 -19.753 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.032 8.353 -15.792 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.625 6.975 -15.419 1.00 20.51 C ATOM 1585 C PHE B 13 -16.241 5.978 -16.394 1.00 18.83 C ATOM 1586 O PHE B 13 -17.055 6.324 -17.226 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.138 6.671 -14.019 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.610 7.009 -13.963 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.557 6.098 -14.443 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.028 8.240 -13.439 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.919 6.416 -14.398 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.388 8.558 -13.396 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.332 7.647 -13.874 1.00 18.48 C ATOM 0 H PHE B 13 -16.851 8.713 -15.301 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.538 6.895 -15.450 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.982 5.619 -13.778 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.588 7.253 -13.279 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.237 5.149 -14.848 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.298 8.944 -13.068 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.651 5.713 -14.767 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.709 9.507 -12.993 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.383 7.892 -13.839 1.00 18.48 H new ATOM 1603 N THR B 14 -15.869 4.737 -16.283 1.00 14.89 N ATOM 1604 CA THR B 14 -16.440 3.706 -17.185 1.00 13.37 C ATOM 1605 C THR B 14 -16.762 2.455 -16.369 1.00 11.97 C ATOM 1606 O THR B 14 -16.177 2.212 -15.332 1.00 10.76 O ATOM 1607 CB THR B 14 -15.427 3.356 -18.275 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.241 4.479 -19.125 1.00 13.48 O ATOM 1609 CG2 THR B 14 -15.947 2.174 -19.092 1.00 9.24 C ATOM 0 H THR B 14 -15.191 4.392 -15.603 1.00 14.89 H new ATOM 0 HA THR B 14 -17.348 4.089 -17.650 1.00 13.37 H new ATOM 0 HB THR B 14 -14.475 3.088 -17.817 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.590 4.256 -19.823 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.225 1.924 -19.870 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.089 1.314 -18.438 1.00 9.24 H new ATOM 0 HG23 THR B 14 -16.898 2.440 -19.552 1.00 9.24 H new ATOM 1617 N THR B 15 -17.687 1.659 -16.824 1.00 13.20 N ATOM 1618 CA THR B 15 -18.041 0.429 -16.068 1.00 12.54 C ATOM 1619 C THR B 15 -17.192 -0.741 -16.566 1.00 14.34 C ATOM 1620 O THR B 15 -17.355 -1.214 -17.674 1.00 17.35 O ATOM 1621 CB THR B 15 -19.521 0.109 -16.275 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.222 1.302 -16.597 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.095 -0.494 -14.994 1.00 8.30 C ATOM 0 H THR B 15 -18.212 1.807 -17.686 1.00 13.20 H new ATOM 0 HA THR B 15 -17.850 0.590 -15.007 1.00 12.54 H new ATOM 0 HB THR B 15 -19.629 -0.606 -17.091 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.171 1.098 -16.732 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.151 -0.723 -15.141 1.00 8.30 H new ATOM 0 HG22 THR B 15 -19.556 -1.409 -14.749 1.00 8.30 H new ATOM 0 HG23 THR B 15 -19.988 0.219 -14.177 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.474 -1.580 -10.639 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.717 -0.193 -10.151 1.00 16.31 C ATOM 1818 C LEU B 28 -17.114 0.824 -11.124 1.00 14.21 C ATOM 1819 O LEU B 28 -15.993 0.686 -11.571 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.074 -0.023 -8.775 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.133 0.422 -7.766 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.303 -0.658 -6.695 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.688 1.731 -7.106 1.00 22.01 C ATOM 0 HA LEU B 28 -18.791 -0.022 -10.082 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.623 -0.962 -8.454 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.273 0.714 -8.825 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.082 0.577 -8.278 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.058 -0.341 -5.975 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.618 -1.590 -7.165 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.354 -0.813 -6.181 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.442 2.050 -6.386 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.739 1.575 -6.593 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.566 2.500 -7.869 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.855 1.850 -11.449 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.335 2.887 -12.386 1.00 9.77 C ATOM 1837 C ASN B 29 -15.910 3.273 -11.984 1.00 7.94 C ATOM 1838 O ASN B 29 -15.645 3.600 -10.848 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.224 4.150 -12.370 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.105 4.234 -11.110 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.299 3.270 -10.399 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.666 5.374 -10.812 1.00 12.89 N ATOM 0 H ASN B 29 -18.801 2.014 -11.104 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.343 2.469 -13.393 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.592 5.036 -12.427 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.860 4.154 -13.255 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.262 5.449 -9.987 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.509 6.190 -11.404 1.00 12.89 H new ATOM 1849 N GLU B 30 -14.992 3.242 -12.912 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.581 3.615 -12.592 1.00 13.16 C ATOM 1851 C GLU B 30 -13.167 4.791 -13.486 1.00 12.26 C ATOM 1852 O GLU B 30 -13.555 4.870 -14.634 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.665 2.419 -12.863 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.677 1.484 -11.653 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.728 0.310 -11.903 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.295 0.154 -13.033 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -11.451 -0.413 -10.960 1.00 38.01 O ATOM 0 H GLU B 30 -15.158 2.974 -13.882 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.499 3.900 -11.543 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.000 1.885 -13.752 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.650 2.762 -13.061 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.373 2.027 -10.758 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.688 1.116 -11.475 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.392 5.710 -12.973 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.975 6.877 -13.807 1.00 9.46 C ATOM 1866 C GLN B 31 -10.460 6.851 -14.030 1.00 10.09 C ATOM 1867 O GLN B 31 -9.798 5.865 -13.775 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.366 8.180 -13.098 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.801 9.224 -14.132 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.992 10.507 -13.932 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.919 10.480 -13.363 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.465 11.637 -14.380 1.00 12.39 N ATOM 0 H GLN B 31 -12.031 5.704 -12.019 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.477 6.821 -14.773 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.177 7.992 -12.394 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.523 8.557 -12.520 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.649 8.839 -15.140 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.866 9.433 -14.028 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.366 11.659 -14.858 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.934 12.498 -14.253 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.912 7.932 -14.518 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.444 7.985 -14.777 1.00 10.34 C ATOM 1883 C LEU B 32 -7.850 9.234 -14.112 1.00 9.02 C ATOM 1884 O LEU B 32 -8.557 10.019 -13.512 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.213 8.040 -16.287 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.395 6.641 -16.879 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.693 6.753 -18.376 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.114 5.829 -16.672 1.00 15.89 C ATOM 0 H LEU B 32 -10.421 8.785 -14.749 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.960 7.101 -14.363 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.913 8.736 -16.748 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.210 8.409 -16.500 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.226 6.142 -16.381 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.822 5.756 -18.797 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.606 7.330 -18.523 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.863 7.253 -18.876 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.243 4.832 -17.094 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.282 6.328 -17.169 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.903 5.748 -15.606 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.555 9.425 -14.201 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.936 10.614 -13.563 1.00 8.10 C ATOM 1902 C CYS B 33 -4.459 10.683 -13.951 1.00 6.34 C ATOM 1903 O CYS B 33 -3.820 9.673 -14.172 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.024 10.483 -12.044 1.00 8.88 C ATOM 1905 SG CYS B 33 -5.896 8.740 -11.566 1.00 13.84 S ATOM 0 H CYS B 33 -5.907 8.806 -14.688 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.460 11.511 -13.894 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.226 11.057 -11.574 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.967 10.898 -11.689 1.00 8.88 H new ATOM 0 HG CYS B 33 -6.093 7.989 -12.608 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.903 11.859 -14.010 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.460 11.980 -14.353 1.00 7.08 C ATOM 1913 C TYR B 34 -1.708 12.421 -13.100 1.00 7.71 C ATOM 1914 O TYR B 34 -1.579 13.597 -12.828 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.266 13.033 -15.437 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.369 12.415 -16.812 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -3.269 11.379 -17.068 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -1.557 12.913 -17.841 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -3.354 10.839 -18.358 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -1.641 12.372 -19.121 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.537 11.338 -19.379 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.623 10.804 -20.649 1.00 21.14 O ATOM 0 H TYR B 34 -4.385 12.741 -13.836 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.087 11.022 -14.715 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -3.017 13.816 -15.328 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.292 13.507 -15.319 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.896 10.996 -16.276 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -0.865 13.718 -17.640 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -4.049 10.039 -18.564 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -1.013 12.754 -19.912 1.00 17.22 H new ATOM 0 HH TYR B 34 -1.990 11.262 -21.240 1.00 21.14 H new ATOM 1932 N VAL B 35 -1.226 11.494 -12.325 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.503 11.880 -11.081 1.00 10.66 C ATOM 1934 C VAL B 35 0.995 11.981 -11.355 1.00 10.57 C ATOM 1935 O VAL B 35 1.638 11.010 -11.703 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.747 10.831 -9.996 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.032 11.217 -8.736 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -2.242 10.772 -9.675 1.00 9.86 C ATOM 0 H VAL B 35 -1.299 10.491 -12.496 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.874 12.848 -10.745 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.412 9.855 -10.347 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.139 10.471 -7.960 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.096 11.263 -8.966 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.306 12.192 -8.384 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.419 10.025 -8.902 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.577 11.747 -9.321 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.797 10.502 -10.574 1.00 9.86 H new ATOM 1948 N ASP B 36 1.562 13.146 -11.191 1.00 8.58 N ATOM 1949 CA ASP B 36 3.013 13.294 -11.427 1.00 11.48 C ATOM 1950 C ASP B 36 3.746 12.252 -10.587 1.00 12.38 C ATOM 1951 O ASP B 36 4.818 11.800 -10.932 1.00 11.89 O ATOM 1952 CB ASP B 36 3.463 14.697 -11.015 1.00 16.17 C ATOM 1953 CG ASP B 36 4.812 15.013 -11.662 1.00 17.97 C ATOM 1954 OD1 ASP B 36 5.430 14.094 -12.175 1.00 25.89 O ATOM 1955 OD2 ASP B 36 5.205 16.168 -11.635 1.00 15.67 O ATOM 0 H ASP B 36 1.077 13.996 -10.904 1.00 8.58 H new ATOM 0 HA ASP B 36 3.237 13.149 -12.484 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.720 15.433 -11.322 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.545 14.760 -9.930 1.00 16.17 H new ATOM 1960 N LEU B 37 3.165 11.867 -9.482 1.00 13.17 N ATOM 1961 CA LEU B 37 3.815 10.854 -8.606 1.00 18.47 C ATOM 1962 C LEU B 37 5.303 11.172 -8.487 1.00 21.14 C ATOM 1963 O LEU B 37 6.134 10.291 -8.399 1.00 24.24 O ATOM 1964 CB LEU B 37 3.637 9.460 -9.209 1.00 15.81 C ATOM 1965 CG LEU B 37 4.159 8.416 -8.222 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.095 7.338 -8.007 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.430 7.775 -8.785 1.00 20.01 C ATOM 0 H LEU B 37 2.265 12.213 -9.149 1.00 13.17 H new ATOM 0 HA LEU B 37 3.354 10.879 -7.618 1.00 18.47 H new ATOM 0 HB2 LEU B 37 2.585 9.277 -9.428 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.177 9.387 -10.153 1.00 15.81 H new ATOM 0 HG LEU B 37 4.384 8.896 -7.270 1.00 20.59 H new ATOM 0 HD11 LEU B 37 3.468 6.594 -7.303 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.190 7.795 -7.607 1.00 14.72 H new ATOM 0 HD13 LEU B 37 2.868 6.856 -8.958 1.00 14.72 H new ATOM 0 HD21 LEU B 37 5.804 7.030 -8.082 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.204 7.295 -9.737 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.188 8.543 -8.937 1.00 20.01 H new ATOM 1979 N GLY B 38 5.644 12.429 -8.481 1.00 20.70 N ATOM 1980 CA GLY B 38 7.076 12.810 -8.367 1.00 23.91 C ATOM 1981 C GLY B 38 7.866 12.182 -9.523 1.00 26.50 C ATOM 1982 O GLY B 38 9.062 11.985 -9.434 1.00 31.02 O ATOM 0 H GLY B 38 4.991 13.210 -8.550 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.178 13.895 -8.390 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.478 12.472 -7.412 1.00 23.91 H new ATOM 1986 N ASN B 39 7.204 11.858 -10.604 1.00 27.64 N ATOM 1987 CA ASN B 39 7.905 11.234 -11.759 1.00 30.27 C ATOM 1988 C ASN B 39 8.251 12.298 -12.807 1.00 26.79 C ATOM 1989 O ASN B 39 8.379 12.006 -13.980 1.00 26.87 O ATOM 1990 CB ASN B 39 6.999 10.178 -12.400 1.00 35.62 C ATOM 1991 CG ASN B 39 6.911 8.946 -11.496 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.775 8.720 -10.672 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.894 8.133 -11.618 1.00 39.63 N ATOM 0 H ASN B 39 6.202 12.001 -10.734 1.00 27.64 H new ATOM 0 HA ASN B 39 8.823 10.769 -11.401 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.004 10.591 -12.563 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.391 9.895 -13.377 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.826 7.309 -11.021 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.169 8.323 -12.310 1.00 39.63 H new ATOM 2000 N GLU B 40 8.404 13.525 -12.398 1.00 25.15 N ATOM 2001 CA GLU B 40 8.743 14.604 -13.375 1.00 23.81 C ATOM 2002 C GLU B 40 7.795 14.538 -14.578 1.00 21.12 C ATOM 2003 O GLU B 40 8.095 15.033 -15.645 1.00 19.86 O ATOM 2004 CB GLU B 40 10.185 14.419 -13.855 1.00 27.22 C ATOM 2005 CG GLU B 40 11.148 14.950 -12.792 1.00 34.87 C ATOM 2006 CD GLU B 40 12.565 15.002 -13.365 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.692 15.195 -14.563 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.500 14.848 -12.596 1.00 39.54 O ATOM 0 H GLU B 40 8.310 13.831 -11.430 1.00 25.15 H new ATOM 0 HA GLU B 40 8.637 15.574 -12.888 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.383 13.364 -14.047 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.337 14.948 -14.796 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.838 15.944 -12.470 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.124 14.308 -11.912 1.00 34.87 H new ATOM 2015 N HIS B 41 6.651 13.935 -14.409 1.00 2.84 N ATOM 2016 CA HIS B 41 5.670 13.831 -15.530 1.00 2.76 C ATOM 2017 C HIS B 41 4.394 13.194 -14.983 1.00 1.97 C ATOM 2018 O HIS B 41 4.439 12.518 -13.977 1.00 1.11 O ATOM 2019 CB HIS B 41 6.247 12.953 -16.645 1.00 3.33 C ATOM 2020 CG HIS B 41 6.979 13.812 -17.638 1.00 3.15 C ATOM 2021 ND1 HIS B 41 8.363 13.827 -17.727 1.00 3.62 N ATOM 2022 CD2 HIS B 41 6.533 14.688 -18.593 1.00 4.40 C ATOM 2023 CE1 HIS B 41 8.696 14.688 -18.706 1.00 5.35 C ATOM 2024 NE2 HIS B 41 7.618 15.241 -19.267 1.00 6.15 N ATOM 0 H HIS B 41 6.349 13.505 -13.534 1.00 2.84 H new ATOM 0 HA HIS B 41 5.457 14.819 -15.939 1.00 2.76 H new ATOM 0 HB2 HIS B 41 6.924 12.211 -16.223 1.00 3.33 H new ATOM 0 HB3 HIS B 41 5.446 12.407 -17.143 1.00 3.33 H new ATOM 0 HD2 HIS B 41 5.496 14.915 -18.792 1.00 4.40 H new ATOM 0 HE1 HIS B 41 9.712 14.905 -19.002 1.00 5.35 H new ATOM 0 HE2 HIS B 41 7.595 15.922 -20.026 1.00 6.15 H new ATOM 2032 N PRO B 42 3.292 13.429 -15.646 1.00 15.11 N ATOM 2033 CA PRO B 42 1.993 12.890 -15.214 1.00 16.08 C ATOM 2034 C PRO B 42 1.885 11.409 -15.536 1.00 17.92 C ATOM 2035 O PRO B 42 2.386 10.938 -16.538 1.00 17.13 O ATOM 2036 CB PRO B 42 0.975 13.667 -16.039 1.00 16.41 C ATOM 2037 CG PRO B 42 1.733 14.186 -17.279 1.00 13.79 C ATOM 2038 CD PRO B 42 3.228 14.232 -16.886 1.00 16.28 C ATOM 0 HA PRO B 42 1.846 12.991 -14.139 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.142 13.028 -16.331 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.557 14.493 -15.464 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.576 13.529 -18.134 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.376 15.175 -17.567 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.860 13.811 -17.668 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.566 15.255 -16.718 1.00 16.28 H new ATOM 2046 N VAL B 43 1.212 10.674 -14.706 1.00 16.29 N ATOM 2047 CA VAL B 43 1.045 9.234 -14.974 1.00 14.28 C ATOM 2048 C VAL B 43 -0.440 8.920 -15.031 1.00 9.00 C ATOM 2049 O VAL B 43 -1.164 9.102 -14.073 1.00 7.99 O ATOM 2050 CB VAL B 43 1.704 8.423 -13.863 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.125 8.937 -13.625 1.00 18.07 C ATOM 2052 CG2 VAL B 43 0.885 8.567 -12.577 1.00 20.57 C ATOM 0 H VAL B 43 0.770 11.013 -13.851 1.00 16.29 H new ATOM 0 HA VAL B 43 1.515 8.975 -15.923 1.00 14.28 H new ATOM 0 HB VAL B 43 1.745 7.373 -14.154 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.594 8.356 -12.831 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.707 8.835 -14.541 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.088 9.987 -13.333 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.353 7.988 -11.781 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.845 9.617 -12.287 1.00 20.57 H new ATOM 0 HG23 VAL B 43 -0.127 8.198 -12.747 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.901 8.457 -16.151 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.338 8.139 -16.275 1.00 11.55 C ATOM 2064 C LEU B 44 -2.657 6.922 -15.409 1.00 10.61 C ATOM 2065 O LEU B 44 -2.253 5.813 -15.696 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.657 7.851 -17.733 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.118 7.440 -17.861 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -5.003 8.461 -17.147 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.499 7.377 -19.342 1.00 20.21 C ATOM 0 H LEU B 44 -0.342 8.285 -16.987 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.943 8.981 -15.938 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.462 8.735 -18.341 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.011 7.058 -18.108 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.261 6.460 -17.406 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -6.048 8.165 -17.240 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.731 8.504 -16.092 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.863 9.443 -17.599 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.544 7.083 -19.437 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.355 8.357 -19.797 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.869 6.646 -19.849 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.371 7.131 -14.341 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.715 6.003 -13.432 1.00 9.29 C ATOM 2083 C VAL B 45 -5.230 5.820 -13.400 1.00 9.95 C ATOM 2084 O VAL B 45 -5.977 6.641 -13.894 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.183 6.312 -12.033 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.955 5.519 -10.970 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.702 5.932 -11.972 1.00 10.20 C ATOM 0 H VAL B 45 -3.734 8.041 -14.056 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.260 5.079 -13.790 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.311 7.376 -11.832 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.560 5.754 -9.982 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -5.011 5.787 -11.012 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.844 4.452 -11.160 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.312 6.148 -10.978 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.590 4.868 -12.182 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.148 6.508 -12.713 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.689 4.741 -12.832 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.153 4.502 -12.783 1.00 12.81 C ATOM 2099 C LYS B 46 -7.758 5.139 -11.527 1.00 13.35 C ATOM 2100 O LYS B 46 -7.069 5.447 -10.575 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.423 2.996 -12.772 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.572 2.671 -13.729 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.255 1.380 -14.486 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.314 1.687 -15.652 1.00 34.48 C ATOM 2105 NZ LYS B 46 -5.909 1.400 -15.245 1.00 36.74 N ATOM 0 H LYS B 46 -5.114 4.017 -12.401 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.613 4.954 -13.662 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.525 2.454 -13.069 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.674 2.669 -11.763 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -9.503 2.560 -13.173 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.717 3.491 -14.432 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.794 0.656 -13.814 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -9.175 0.929 -14.857 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.583 1.084 -16.519 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -7.412 2.732 -15.947 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -5.363 1.094 -16.075 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -5.481 2.260 -14.846 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -5.902 0.645 -14.529 1.00 36.74 H new ATOM 2119 N ILE B 47 -9.050 5.329 -11.527 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.733 5.936 -10.352 1.00 16.93 C ATOM 2121 C ILE B 47 -10.970 5.095 -10.020 1.00 16.52 C ATOM 2122 O ILE B 47 -11.431 4.308 -10.823 1.00 17.67 O ATOM 2123 CB ILE B 47 -10.156 7.379 -10.699 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.072 8.357 -10.242 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.482 7.744 -10.013 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -8.787 8.161 -8.755 1.00 18.26 C ATOM 0 H ILE B 47 -9.667 5.086 -12.302 1.00 13.96 H new ATOM 0 HA ILE B 47 -9.062 5.959 -9.493 1.00 16.93 H new ATOM 0 HB ILE B 47 -10.289 7.444 -11.779 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -8.161 8.199 -10.819 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.393 9.382 -10.427 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.757 8.766 -10.274 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -12.264 7.061 -10.346 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.366 7.664 -8.932 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.014 8.861 -8.437 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -9.697 8.341 -8.183 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.446 7.140 -8.581 1.00 18.26 H new ATOM 2138 N THR B 48 -11.521 5.270 -8.853 1.00 16.86 N ATOM 2139 CA THR B 48 -12.737 4.499 -8.487 1.00 16.59 C ATOM 2140 C THR B 48 -13.934 5.453 -8.475 1.00 19.04 C ATOM 2141 O THR B 48 -13.857 6.555 -7.971 1.00 22.56 O ATOM 2142 CB THR B 48 -12.551 3.873 -7.103 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.174 3.896 -6.757 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.051 2.429 -7.123 1.00 16.02 C ATOM 0 H THR B 48 -11.181 5.913 -8.138 1.00 16.86 H new ATOM 0 HA THR B 48 -12.909 3.702 -9.211 1.00 16.59 H new ATOM 0 HB THR B 48 -13.120 4.441 -6.367 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.051 4.418 -5.937 1.00 17.90 H new ATOM 0 HG21 THR B 48 -12.918 1.984 -6.137 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.108 2.414 -7.388 1.00 16.02 H new ATOM 0 HG23 THR B 48 -12.484 1.858 -7.858 1.00 16.02 H new ATOM 2152 N LEU B 49 -15.033 5.043 -9.042 1.00 18.35 N ATOM 2153 CA LEU B 49 -16.231 5.928 -9.083 1.00 18.82 C ATOM 2154 C LEU B 49 -17.419 5.204 -8.444 1.00 20.06 C ATOM 2155 O LEU B 49 -17.784 4.117 -8.845 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.552 6.270 -10.547 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.442 7.778 -10.774 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.678 8.475 -10.199 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -15.183 8.321 -10.091 1.00 14.50 C ATOM 0 H LEU B 49 -15.154 4.130 -9.481 1.00 18.35 H new ATOM 0 HA LEU B 49 -16.034 6.847 -8.531 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.865 5.744 -11.210 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.557 5.930 -10.795 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.379 7.973 -11.845 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.598 9.550 -10.362 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.572 8.098 -10.696 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.745 8.274 -9.130 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -15.113 9.396 -10.258 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -15.236 8.123 -9.020 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.303 7.831 -10.508 1.00 14.50 H new ATOM 2171 N ASP B 50 -18.021 5.797 -7.449 1.00 22.62 N ATOM 2172 CA ASP B 50 -19.181 5.142 -6.780 1.00 27.04 C ATOM 2173 C ASP B 50 -20.393 5.168 -7.714 1.00 27.73 C ATOM 2174 O ASP B 50 -20.619 6.126 -8.426 1.00 26.65 O ATOM 2175 CB ASP B 50 -19.516 5.892 -5.489 1.00 29.11 C ATOM 2176 CG ASP B 50 -19.842 4.885 -4.384 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.231 3.829 -4.373 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -20.696 5.187 -3.568 1.00 33.99 O ATOM 0 H ASP B 50 -17.759 6.707 -7.070 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.927 4.108 -6.545 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.674 6.517 -5.190 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -20.364 6.557 -5.652 1.00 29.11 H new ATOM 2183 N GLU B 51 -21.173 4.122 -7.717 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.368 4.083 -8.604 1.00 34.22 C ATOM 2185 C GLU B 51 -23.185 5.365 -8.423 1.00 34.98 C ATOM 2186 O GLU B 51 -23.836 5.560 -7.416 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.229 2.874 -8.235 1.00 38.24 C ATOM 2188 CG GLU B 51 -24.535 2.918 -9.027 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.489 1.844 -8.501 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.838 1.910 -7.333 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.853 0.974 -9.273 1.00 53.83 O ATOM 0 H GLU B 51 -21.033 3.291 -7.142 1.00 31.16 H new ATOM 0 HA GLU B 51 -22.048 4.003 -9.643 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.691 1.951 -8.452 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.440 2.877 -7.166 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.994 3.903 -8.937 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -24.336 2.755 -10.086 1.00 46.84 H new ATOM 2198 N GLY B 52 -23.159 6.239 -9.392 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.939 7.503 -9.275 1.00 34.93 C ATOM 2200 C GLY B 52 -22.997 8.667 -8.958 1.00 36.10 C ATOM 2201 O GLY B 52 -23.414 9.804 -8.862 1.00 35.97 O ATOM 0 H GLY B 52 -22.632 6.132 -10.259 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.473 7.699 -10.205 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.689 7.407 -8.490 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.731 8.396 -8.795 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.771 9.493 -8.486 1.00 35.40 C ATOM 2207 C GLN B 53 -20.231 10.084 -9.793 1.00 31.02 C ATOM 2208 O GLN B 53 -20.033 9.371 -10.757 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.609 8.936 -7.660 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.897 9.141 -6.171 1.00 47.61 C ATOM 2211 CD GLN B 53 -18.599 8.988 -5.375 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.521 9.039 -5.933 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -18.658 8.801 -4.085 1.00 54.76 N ATOM 0 H GLN B 53 -21.321 7.465 -8.862 1.00 36.52 H new ATOM 0 HA GLN B 53 -21.280 10.272 -7.919 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.473 7.876 -7.872 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.681 9.437 -7.934 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -20.324 10.130 -6.005 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -20.634 8.414 -5.829 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -19.563 8.758 -3.617 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -17.799 8.698 -3.545 1.00 54.76 H new ATOM 2222 N PRO B 54 -20.009 11.375 -9.785 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.492 12.100 -10.958 1.00 23.44 C ATOM 2224 C PRO B 54 -17.982 11.891 -11.101 1.00 20.14 C ATOM 2225 O PRO B 54 -17.205 12.313 -10.267 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.813 13.561 -10.650 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.969 13.657 -9.118 1.00 27.18 C ATOM 2228 CD PRO B 54 -20.253 12.232 -8.609 1.00 28.37 C ATOM 0 HA PRO B 54 -19.932 11.760 -11.895 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -19.016 14.216 -11.001 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.728 13.873 -11.154 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -19.064 14.057 -8.662 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.784 14.331 -8.854 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.597 11.967 -7.780 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -21.277 12.134 -8.250 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.562 11.242 -12.152 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.107 11.003 -12.355 1.00 15.58 C ATOM 2238 C ALA B 55 -15.317 12.277 -12.039 1.00 16.41 C ATOM 2239 O ALA B 55 -15.875 13.345 -11.881 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.870 10.606 -13.810 1.00 13.98 C ATOM 0 H ALA B 55 -18.167 10.866 -12.882 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.773 10.206 -11.691 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.807 10.428 -13.970 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.428 9.697 -14.034 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.206 11.409 -14.466 1.00 13.98 H new ATOM 2246 N TYR B 56 -14.018 12.169 -11.949 1.00 15.93 N ATOM 2247 CA TYR B 56 -13.184 13.367 -11.645 1.00 14.61 C ATOM 2248 C TYR B 56 -13.269 14.361 -12.807 1.00 15.51 C ATOM 2249 O TYR B 56 -12.972 14.037 -13.940 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.732 12.932 -11.432 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.612 12.279 -10.071 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.992 12.986 -8.924 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -11.140 10.969 -9.961 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.896 12.380 -7.666 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -11.047 10.364 -8.701 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.423 11.067 -7.558 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.330 10.467 -6.318 1.00 12.03 O ATOM 0 H TYR B 56 -13.498 11.300 -12.073 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.551 13.849 -10.739 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.429 12.235 -12.213 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -11.067 13.793 -11.497 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.359 13.998 -9.010 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.847 10.423 -10.846 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.186 12.925 -6.780 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.683 9.351 -8.615 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.137 11.147 -5.639 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.682 15.568 -12.530 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.801 16.592 -13.608 1.00 14.95 C ATOM 2269 C ALA B 57 -12.407 17.088 -14.011 1.00 15.46 C ATOM 2270 O ALA B 57 -11.414 16.653 -13.461 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.633 17.766 -13.090 1.00 14.98 C ATOM 0 H ALA B 57 -13.944 15.891 -11.598 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.286 16.151 -14.479 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.725 18.520 -13.872 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.625 17.413 -12.808 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -14.143 18.204 -12.220 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.376 17.988 -14.964 1.00 15.20 N ATOM 2278 CA PRO B 58 -11.119 18.568 -15.468 1.00 16.55 C ATOM 2279 C PRO B 58 -10.594 19.630 -14.499 1.00 16.75 C ATOM 2280 O PRO B 58 -11.214 20.653 -14.287 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.522 19.193 -16.807 1.00 15.65 C ATOM 2282 CG PRO B 58 -13.048 19.435 -16.735 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.590 18.512 -15.628 1.00 13.96 C ATOM 0 HA PRO B 58 -10.319 17.835 -15.573 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.988 20.128 -16.975 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.273 18.530 -17.636 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -13.264 20.479 -16.509 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.521 19.212 -17.691 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -14.222 19.059 -14.928 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -14.196 17.706 -16.043 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.456 19.391 -13.907 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.889 20.381 -12.949 1.00 15.08 C ATOM 2293 C GLY B 59 -7.748 19.731 -12.164 1.00 14.96 C ATOM 2294 O GLY B 59 -7.820 18.576 -11.812 1.00 13.79 O ATOM 0 H GLY B 59 -8.894 18.551 -14.046 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.523 21.256 -13.487 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.664 20.728 -12.266 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.697 20.460 -11.888 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.559 19.870 -11.122 1.00 14.53 C ATOM 2300 C LEU B 60 -6.106 19.017 -9.979 1.00 14.15 C ATOM 2301 O LEU B 60 -7.118 19.339 -9.388 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.696 20.993 -10.549 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.449 21.163 -11.413 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.835 21.811 -12.745 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.440 22.054 -10.683 1.00 15.01 C ATOM 0 H LEU B 60 -6.578 21.436 -12.159 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.956 19.249 -11.785 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -5.262 21.924 -10.521 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.412 20.761 -9.522 1.00 15.84 H new ATOM 0 HG LEU B 60 -3.001 20.187 -11.601 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.945 21.932 -13.362 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.552 21.176 -13.264 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -4.283 22.787 -12.558 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.549 22.176 -11.299 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.887 23.030 -10.494 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.165 21.591 -9.735 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.460 17.927 -9.660 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.975 17.074 -8.559 1.00 9.57 C ATOM 2319 C TYR B 61 -4.947 16.914 -7.459 1.00 11.76 C ATOM 2320 O TYR B 61 -3.771 17.184 -7.621 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.349 15.691 -9.089 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.778 15.740 -9.546 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -8.089 16.259 -10.803 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.793 15.294 -8.695 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -9.422 16.336 -11.213 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -10.126 15.366 -9.105 1.00 13.03 C ATOM 2327 CZ TYR B 61 -10.439 15.890 -10.363 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.757 15.968 -10.771 1.00 14.61 O ATOM 0 H TYR B 61 -4.607 17.596 -10.111 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.857 17.567 -8.150 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.695 15.409 -9.914 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.223 14.938 -8.311 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.301 16.600 -11.458 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.547 14.894 -7.722 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.667 16.739 -12.185 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.913 15.018 -8.452 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.825 16.563 -11.547 1.00 14.61 H new ATOM 2338 N THR B 62 -5.404 16.428 -6.354 1.00 12.22 N ATOM 2339 CA THR B 62 -4.522 16.169 -5.206 1.00 14.26 C ATOM 2340 C THR B 62 -5.134 14.994 -4.485 1.00 15.40 C ATOM 2341 O THR B 62 -6.275 15.035 -4.075 1.00 16.24 O ATOM 2342 CB THR B 62 -4.472 17.377 -4.285 1.00 15.07 C ATOM 2343 OG1 THR B 62 -5.736 17.552 -3.661 1.00 18.36 O ATOM 2344 CG2 THR B 62 -4.122 18.617 -5.104 1.00 11.61 C ATOM 0 H THR B 62 -6.384 16.193 -6.196 1.00 12.22 H new ATOM 0 HA THR B 62 -3.499 15.967 -5.525 1.00 14.26 H new ATOM 0 HB THR B 62 -3.714 17.223 -3.517 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.702 18.330 -3.066 1.00 18.36 H new ATOM 0 HG21 THR B 62 -4.085 19.487 -4.449 1.00 11.61 H new ATOM 0 HG22 THR B 62 -3.150 18.478 -5.578 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.881 18.773 -5.871 1.00 11.61 H new ATOM 2352 N VAL B 63 -4.422 13.932 -4.360 1.00 14.65 N ATOM 2353 CA VAL B 63 -5.028 12.763 -3.700 1.00 15.17 C ATOM 2354 C VAL B 63 -5.485 13.165 -2.306 1.00 14.24 C ATOM 2355 O VAL B 63 -5.073 14.174 -1.768 1.00 19.13 O ATOM 2356 CB VAL B 63 -4.053 11.598 -3.636 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.848 10.317 -3.391 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -3.297 11.469 -4.970 1.00 18.64 C ATOM 0 H VAL B 63 -3.460 13.818 -4.679 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.887 12.430 -4.283 1.00 15.17 H new ATOM 0 HB VAL B 63 -3.334 11.766 -2.834 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -4.165 9.469 -3.342 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -5.391 10.400 -2.450 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.556 10.166 -4.206 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.601 10.632 -4.914 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -4.009 11.296 -5.777 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.744 12.388 -5.165 1.00 18.64 H new ATOM 2368 N HIS B 64 -6.351 12.395 -1.729 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.866 12.733 -0.379 1.00 10.78 C ATOM 2370 C HIS B 64 -6.448 11.643 0.607 1.00 14.19 C ATOM 2371 O HIS B 64 -6.503 10.463 0.300 1.00 11.59 O ATOM 2372 CB HIS B 64 -8.393 12.835 -0.430 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.859 13.839 0.589 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -9.334 13.460 1.833 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.900 15.212 0.576 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -9.627 14.576 2.517 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -9.384 15.676 1.797 1.00 20.65 N ATOM 0 H HIS B 64 -6.729 11.539 -2.135 1.00 13.31 H new ATOM 0 HA HIS B 64 -6.455 13.688 -0.054 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -8.716 13.135 -1.427 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.841 11.862 -0.230 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -8.603 15.836 -0.254 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -10.012 14.585 3.526 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.523 16.646 2.081 1.00 20.65 H new ATOM 2385 N LEU B 65 -6.034 12.030 1.788 1.00 12.93 N ATOM 2386 CA LEU B 65 -5.610 11.020 2.798 1.00 14.44 C ATOM 2387 C LEU B 65 -6.839 10.264 3.293 1.00 12.66 C ATOM 2388 O LEU B 65 -6.732 9.286 4.005 1.00 10.20 O ATOM 2389 CB LEU B 65 -4.941 11.701 3.998 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.018 12.833 3.538 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.945 13.902 4.631 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -2.620 12.276 3.279 1.00 19.03 C ATOM 0 H LEU B 65 -5.972 13.001 2.093 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.899 10.339 2.331 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -5.704 12.098 4.668 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -4.369 10.967 4.565 1.00 14.94 H new ATOM 0 HG LEU B 65 -4.409 13.273 2.621 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.289 14.710 4.307 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.943 14.299 4.819 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.552 13.460 5.546 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -1.962 13.081 2.951 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.227 11.837 4.196 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -2.671 11.511 2.504 1.00 19.03 H new ATOM 2404 N SER B 66 -8.007 10.704 2.921 1.00 13.51 N ATOM 2405 CA SER B 66 -9.234 9.997 3.374 1.00 10.39 C ATOM 2406 C SER B 66 -9.042 8.504 3.134 1.00 8.56 C ATOM 2407 O SER B 66 -9.648 7.674 3.783 1.00 11.70 O ATOM 2408 CB SER B 66 -10.447 10.486 2.581 1.00 12.88 C ATOM 2409 OG SER B 66 -11.340 9.399 2.374 1.00 14.72 O ATOM 0 H SER B 66 -8.164 11.518 2.326 1.00 13.51 H new ATOM 0 HA SER B 66 -9.405 10.196 4.432 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.950 11.288 3.121 1.00 12.88 H new ATOM 0 HB3 SER B 66 -10.128 10.898 1.623 1.00 12.88 H new ATOM 0 HG SER B 66 -11.755 9.150 3.226 1.00 14.72 H new ATOM 2415 N SER B 67 -8.198 8.156 2.200 1.00 7.98 N ATOM 2416 CA SER B 67 -7.964 6.719 1.913 1.00 8.20 C ATOM 2417 C SER B 67 -6.758 6.216 2.711 1.00 11.02 C ATOM 2418 O SER B 67 -6.532 5.028 2.824 1.00 11.45 O ATOM 2419 CB SER B 67 -7.697 6.530 0.423 1.00 8.01 C ATOM 2420 OG SER B 67 -8.619 7.313 -0.324 1.00 11.22 O ATOM 0 H SER B 67 -7.663 8.807 1.626 1.00 7.98 H new ATOM 0 HA SER B 67 -8.849 6.152 2.201 1.00 8.20 H new ATOM 0 HB2 SER B 67 -6.675 6.825 0.185 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.795 5.478 0.155 1.00 8.01 H new ATOM 0 HG SER B 67 -9.049 6.753 -1.003 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.967 7.107 3.247 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.768 6.671 4.011 1.00 11.79 C ATOM 2428 C PHE B 68 -5.171 6.265 5.425 1.00 12.69 C ATOM 2429 O PHE B 68 -6.083 6.814 6.010 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.750 7.816 4.061 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.415 8.268 2.654 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -3.989 7.630 1.539 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.548 9.350 2.466 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.691 8.076 0.251 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.250 9.790 1.173 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.823 9.152 0.069 1.00 11.87 C ATOM 0 H PHE B 68 -6.101 8.116 3.187 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.317 5.811 3.516 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.155 8.650 4.634 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.845 7.488 4.572 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.660 6.796 1.680 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -2.109 9.845 3.320 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.133 7.588 -0.605 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.577 10.622 1.027 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.592 9.494 -0.929 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.494 5.297 5.971 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.824 4.832 7.345 1.00 15.38 C ATOM 2448 C LYS B 69 -3.540 4.405 8.055 1.00 15.02 C ATOM 2449 O LYS B 69 -2.482 4.343 7.461 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.781 3.641 7.263 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.446 2.802 6.029 1.00 20.35 C ATOM 2452 CD LYS B 69 -5.744 1.329 6.315 1.00 21.35 C ATOM 2453 CE LYS B 69 -4.979 0.451 5.322 1.00 30.24 C ATOM 2454 NZ LYS B 69 -3.834 -0.203 6.017 1.00 32.70 N ATOM 0 H LYS B 69 -3.722 4.805 5.522 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.298 5.641 7.901 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.699 3.032 8.163 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.812 3.992 7.209 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.031 3.143 5.175 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.396 2.927 5.766 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -5.454 1.080 7.336 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -6.815 1.141 6.233 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -5.643 -0.305 4.902 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -4.616 1.055 4.490 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -3.314 -0.800 5.343 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -3.197 0.526 6.398 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -4.191 -0.792 6.796 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.624 4.108 9.320 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.407 3.683 10.066 1.00 13.49 C ATOM 2470 C VAL B 70 -2.489 2.182 10.347 1.00 11.85 C ATOM 2471 O VAL B 70 -3.288 1.731 11.144 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.305 4.442 11.390 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.839 4.775 11.671 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.118 5.740 11.318 1.00 15.63 C ATOM 0 H VAL B 70 -4.482 4.141 9.870 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.525 3.902 9.464 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.702 3.818 12.191 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.763 5.316 12.614 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.262 3.852 11.734 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.446 5.394 10.865 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.038 6.272 12.266 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.731 6.368 10.516 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.164 5.504 11.121 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.671 1.405 9.693 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.701 -0.068 9.916 1.00 11.07 C ATOM 2486 C GLY B 71 -0.875 -0.416 11.155 1.00 12.15 C ATOM 2487 O GLY B 71 -0.420 0.453 11.873 1.00 12.70 O ATOM 0 H GLY B 71 -0.982 1.727 9.013 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -2.729 -0.406 10.045 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -1.303 -0.586 9.044 1.00 11.07 H new ATOM 2491 N GLN B 72 -0.677 -1.680 11.414 1.00 15.78 N ATOM 2492 CA GLN B 72 0.118 -2.078 12.605 1.00 19.42 C ATOM 2493 C GLN B 72 1.557 -2.331 12.176 1.00 16.97 C ATOM 2494 O GLN B 72 2.303 -3.039 12.822 1.00 20.46 O ATOM 2495 CB GLN B 72 -0.471 -3.349 13.220 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.489 -2.973 14.299 1.00 25.29 C ATOM 2497 CD GLN B 72 -2.456 -1.924 13.747 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -2.833 -1.002 14.443 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -2.877 -2.026 12.516 1.00 25.15 N ATOM 0 H GLN B 72 -1.032 -2.453 10.851 1.00 15.78 H new ATOM 0 HA GLN B 72 0.091 -1.282 13.349 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -0.950 -3.951 12.448 1.00 22.64 H new ATOM 0 HB3 GLN B 72 0.323 -3.958 13.652 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -2.040 -3.858 14.618 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -0.976 -2.583 15.178 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -2.561 -2.800 11.931 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -3.522 -1.332 12.138 1.00 25.15 H new ATOM 2508 N PHE B 73 1.943 -1.752 11.081 1.00 14.56 N ATOM 2509 CA PHE B 73 3.334 -1.941 10.580 1.00 14.60 C ATOM 2510 C PHE B 73 4.202 -0.756 11.009 1.00 15.63 C ATOM 2511 O PHE B 73 5.408 -0.774 10.862 1.00 17.80 O ATOM 2512 CB PHE B 73 3.317 -2.034 9.052 1.00 12.63 C ATOM 2513 CG PHE B 73 3.843 -3.383 8.622 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.959 -3.936 9.261 1.00 19.79 C ATOM 2515 CD2 PHE B 73 3.213 -4.082 7.585 1.00 16.27 C ATOM 2516 CE1 PHE B 73 5.446 -5.186 8.863 1.00 18.68 C ATOM 2517 CE2 PHE B 73 3.700 -5.332 7.187 1.00 20.44 C ATOM 2518 CZ PHE B 73 4.816 -5.885 7.826 1.00 17.88 C ATOM 0 H PHE B 73 1.354 -1.151 10.504 1.00 14.56 H new ATOM 0 HA PHE B 73 3.746 -2.860 10.997 1.00 14.60 H new ATOM 0 HB2 PHE B 73 2.302 -1.892 8.680 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.928 -1.240 8.622 1.00 12.63 H new ATOM 0 HD1 PHE B 73 5.444 -3.398 10.062 1.00 19.79 H new ATOM 0 HD2 PHE B 73 2.351 -3.656 7.092 1.00 16.27 H new ATOM 0 HE1 PHE B 73 6.308 -5.612 9.356 1.00 18.68 H new ATOM 0 HE2 PHE B 73 3.215 -5.870 6.386 1.00 20.44 H new ATOM 0 HZ PHE B 73 5.191 -6.850 7.519 1.00 17.88 H new ATOM 2528 N GLY B 74 3.602 0.275 11.540 1.00 13.82 N ATOM 2529 CA GLY B 74 4.397 1.456 11.977 1.00 13.44 C ATOM 2530 C GLY B 74 4.701 2.345 10.769 1.00 10.42 C ATOM 2531 O GLY B 74 5.792 2.862 10.627 1.00 13.62 O ATOM 0 H GLY B 74 2.596 0.350 11.690 1.00 13.82 H new ATOM 0 HA2 GLY B 74 3.845 2.021 12.728 1.00 13.44 H new ATOM 0 HA3 GLY B 74 5.326 1.129 12.444 1.00 13.44 H new ATOM 2535 N SER B 75 3.746 2.529 9.898 1.00 12.64 N ATOM 2536 CA SER B 75 3.985 3.387 8.703 1.00 12.47 C ATOM 2537 C SER B 75 2.660 3.649 7.983 1.00 12.47 C ATOM 2538 O SER B 75 1.840 2.765 7.830 1.00 11.32 O ATOM 2539 CB SER B 75 4.949 2.677 7.753 1.00 11.21 C ATOM 2540 OG SER B 75 6.284 2.882 8.198 1.00 18.27 O ATOM 0 H SER B 75 2.812 2.123 9.962 1.00 12.64 H new ATOM 0 HA SER B 75 4.417 4.336 9.020 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.725 1.611 7.719 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.828 3.061 6.740 1.00 11.21 H new ATOM 0 HG SER B 75 6.276 3.175 9.133 1.00 18.27 H new ATOM 2546 N LEU B 76 2.444 4.858 7.539 1.00 12.43 N ATOM 2547 CA LEU B 76 1.173 5.177 6.828 1.00 12.18 C ATOM 2548 C LEU B 76 0.895 4.103 5.774 1.00 12.07 C ATOM 2549 O LEU B 76 1.781 3.379 5.365 1.00 9.82 O ATOM 2550 CB LEU B 76 1.301 6.540 6.145 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.025 7.295 6.253 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.185 8.584 7.049 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.530 7.637 4.848 1.00 7.80 C ATOM 0 H LEU B 76 3.093 5.639 7.638 1.00 12.43 H new ATOM 0 HA LEU B 76 0.352 5.204 7.544 1.00 12.18 H new ATOM 0 HB2 LEU B 76 2.099 7.118 6.611 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.572 6.409 5.097 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.760 6.671 6.762 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.760 9.122 7.126 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.546 8.340 8.048 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.919 9.210 6.541 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.475 8.175 4.922 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.204 8.262 4.339 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.679 6.718 4.281 1.00 7.80 H new ATOM 2565 N MET B 77 -0.328 3.994 5.329 1.00 14.08 N ATOM 2566 CA MET B 77 -0.654 2.965 4.301 1.00 14.12 C ATOM 2567 C MET B 77 -1.944 3.352 3.573 1.00 11.37 C ATOM 2568 O MET B 77 -3.027 3.265 4.117 1.00 11.44 O ATOM 2569 CB MET B 77 -0.842 1.607 4.978 1.00 16.48 C ATOM 2570 CG MET B 77 0.525 0.991 5.278 1.00 24.75 C ATOM 2571 SD MET B 77 0.382 -0.814 5.301 1.00 35.11 S ATOM 2572 CE MET B 77 1.843 -1.172 4.295 1.00 33.86 C ATOM 0 H MET B 77 -1.113 4.571 5.632 1.00 14.08 H new ATOM 0 HA MET B 77 0.163 2.905 3.582 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.410 1.725 5.901 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.417 0.944 4.332 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.248 1.300 4.523 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.894 1.349 6.239 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.949 -2.251 4.179 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.731 -0.710 3.314 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.730 -0.771 4.786 1.00 33.86 H new ATOM 2582 N ILE B 78 -1.834 3.775 2.344 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.047 4.166 1.573 1.00 11.62 C ATOM 2584 C ILE B 78 -3.995 2.969 1.453 1.00 11.45 C ATOM 2585 O ILE B 78 -3.577 1.855 1.208 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.636 4.607 0.175 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -1.661 5.785 0.282 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -3.882 5.015 -0.619 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -1.390 6.362 -1.109 1.00 13.67 C ATOM 0 H ILE B 78 -0.953 3.867 1.839 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.550 4.982 2.091 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.143 3.785 -0.344 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.077 6.556 0.931 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -0.727 5.456 0.737 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.588 5.331 -1.620 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.562 4.166 -0.691 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.383 5.839 -0.111 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.696 7.199 -1.027 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.954 5.591 -1.744 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -2.326 6.708 -1.548 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.269 3.197 1.607 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.251 2.079 1.486 1.00 14.79 C ATOM 2603 C ASP B 79 -6.946 2.181 0.126 1.00 15.20 C ATOM 2604 O ASP B 79 -7.459 1.215 -0.404 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.290 2.185 2.604 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.918 0.812 2.850 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.174 -0.152 2.929 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -9.132 0.748 2.955 1.00 24.06 O ATOM 0 H ASP B 79 -5.675 4.110 1.812 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.737 1.122 1.569 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -6.821 2.551 3.517 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.061 2.906 2.331 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.948 3.353 -0.436 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.582 3.575 -1.766 1.00 17.14 C ATOM 2615 C ARG B 80 -7.580 5.073 -2.031 1.00 14.98 C ATOM 2616 O ARG B 80 -8.607 5.722 -2.054 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.015 3.037 -1.772 1.00 17.78 C ATOM 2618 CG ARG B 80 -9.707 3.442 -3.076 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.133 2.189 -3.843 1.00 28.43 C ATOM 2620 NE ARG B 80 -11.058 1.379 -3.000 1.00 33.10 N ATOM 2621 CZ ARG B 80 -11.778 0.432 -3.540 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -11.696 0.193 -4.821 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -12.583 -0.278 -2.797 1.00 35.04 N ATOM 0 H ARG B 80 -6.529 4.186 -0.023 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.028 3.048 -2.543 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.008 1.951 -1.674 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.566 3.431 -0.918 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -10.577 4.062 -2.860 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.032 4.042 -3.686 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.625 2.470 -4.774 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -9.257 1.598 -4.111 1.00 28.43 H new ATOM 0 HE ARG B 80 -11.129 1.565 -2.000 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.068 0.747 -5.404 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -12.260 -0.547 -5.239 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -12.649 -0.093 -1.796 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -13.146 -1.018 -3.217 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.404 5.603 -2.189 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.201 7.061 -2.419 1.00 11.27 C ATOM 2639 C LEU B 81 -7.465 7.747 -2.964 1.00 15.61 C ATOM 2640 O LEU B 81 -7.955 7.428 -4.028 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.014 7.224 -3.375 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.498 7.363 -4.816 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.297 7.635 -5.725 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.177 6.056 -5.243 1.00 18.72 C ATOM 0 H LEU B 81 -5.538 5.064 -2.167 1.00 11.03 H new ATOM 0 HA LEU B 81 -5.989 7.552 -1.469 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.433 8.103 -3.095 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.351 6.363 -3.290 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.207 8.187 -4.893 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.636 7.735 -6.756 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.806 8.557 -5.413 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.592 6.807 -5.654 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.526 6.146 -6.272 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.463 5.235 -5.173 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.025 5.856 -4.588 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.988 8.701 -2.232 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.206 9.424 -2.699 1.00 12.72 C ATOM 2658 C ARG B 82 -8.769 10.671 -3.470 1.00 13.33 C ATOM 2659 O ARG B 82 -8.342 11.650 -2.892 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.049 9.840 -1.490 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.430 9.188 -1.577 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.131 9.295 -0.221 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.581 9.570 -0.430 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.428 9.414 0.553 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.009 9.016 1.724 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.697 9.655 0.363 1.00 16.89 N ATOM 0 H ARG B 82 -7.622 9.008 -1.331 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.800 8.776 -3.343 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.552 9.540 -0.567 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.149 10.925 -1.460 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -12.027 9.677 -2.347 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.332 8.142 -1.866 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.003 8.369 0.340 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.681 10.092 0.371 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.913 9.881 -1.343 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.018 8.826 1.874 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.673 8.895 2.489 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -16.026 9.964 -0.552 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.359 9.534 1.129 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.846 10.639 -4.772 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.404 11.816 -5.569 1.00 13.86 C ATOM 2682 C LEU B 83 -9.405 12.963 -5.473 1.00 13.02 C ATOM 2683 O LEU B 83 -10.603 12.772 -5.411 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.227 11.433 -7.036 1.00 9.93 C ATOM 2685 CG LEU B 83 -7.137 12.308 -7.641 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -5.798 11.569 -7.593 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -7.491 12.636 -9.094 1.00 10.58 C ATOM 0 H LEU B 83 -9.195 9.850 -5.317 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.451 12.146 -5.156 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.958 10.380 -7.122 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -9.163 11.568 -7.577 1.00 9.93 H new ATOM 0 HG LEU B 83 -7.058 13.233 -7.070 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.020 12.197 -8.027 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -5.545 11.341 -6.558 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -5.874 10.642 -8.161 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -6.710 13.262 -9.526 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -7.573 11.712 -9.666 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -8.442 13.168 -9.126 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.895 14.161 -5.476 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.752 15.367 -5.405 1.00 12.86 C ATOM 2701 C VAL B 84 -9.034 16.488 -6.161 1.00 14.98 C ATOM 2702 O VAL B 84 -7.828 16.454 -6.297 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.936 15.764 -3.943 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -11.006 14.879 -3.300 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -8.612 15.591 -3.194 1.00 17.34 C ATOM 0 H VAL B 84 -7.895 14.355 -5.526 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.731 15.179 -5.845 1.00 12.86 H new ATOM 0 HB VAL B 84 -10.250 16.807 -3.890 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -11.135 15.165 -2.256 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -11.950 15.006 -3.830 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -10.696 13.835 -3.355 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -8.745 15.875 -2.150 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -8.296 14.549 -3.249 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.851 16.226 -3.649 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.779 17.449 -6.628 1.00 18.65 N ATOM 2716 CA PRO B 85 -9.209 18.585 -7.368 1.00 22.41 C ATOM 2717 C PRO B 85 -8.267 19.390 -6.461 1.00 25.70 C ATOM 2718 O PRO B 85 -8.521 19.567 -5.286 1.00 22.08 O ATOM 2719 CB PRO B 85 -10.434 19.383 -7.816 1.00 21.19 C ATOM 2720 CG PRO B 85 -11.581 18.945 -6.890 1.00 18.95 C ATOM 2721 CD PRO B 85 -11.236 17.513 -6.447 1.00 20.63 C ATOM 0 HA PRO B 85 -8.596 18.293 -8.221 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -10.254 20.455 -7.735 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.674 19.178 -8.859 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -11.666 19.611 -6.031 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -12.538 18.974 -7.412 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -11.522 17.332 -5.411 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.751 16.768 -7.054 1.00 20.63 H new ATOM 2729 N ALA B 86 -7.168 19.858 -6.995 1.00 31.74 N ATOM 2730 CA ALA B 86 -6.193 20.627 -6.166 1.00 39.94 C ATOM 2731 C ALA B 86 -6.787 21.991 -5.812 1.00 46.96 C ATOM 2732 O ALA B 86 -6.975 22.837 -6.664 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.897 20.821 -6.959 1.00 39.70 C ATOM 0 H ALA B 86 -6.904 19.740 -7.973 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.980 20.078 -5.249 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -4.183 21.382 -6.357 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -4.475 19.848 -7.210 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -5.110 21.371 -7.876 1.00 39.70 H new ATOM 2739 N LYS B 87 -7.086 22.211 -4.562 1.00 51.78 N ATOM 2740 CA LYS B 87 -7.669 23.521 -4.155 1.00 55.12 C ATOM 2741 C LYS B 87 -6.542 24.513 -3.864 1.00 55.82 C ATOM 2742 O LYS B 87 -6.714 25.331 -2.976 1.00 58.05 O ATOM 2743 CB LYS B 87 -8.520 23.332 -2.896 1.00 52.96 C ATOM 2744 CG LYS B 87 -9.881 24.003 -3.094 1.00 55.49 C ATOM 2745 CD LYS B 87 -10.838 23.024 -3.776 1.00 56.64 C ATOM 2746 CE LYS B 87 -12.264 23.276 -3.282 1.00 58.91 C ATOM 2747 NZ LYS B 87 -12.555 22.382 -2.126 1.00 58.16 N ATOM 2748 OXT LYS B 87 -5.526 24.439 -4.535 1.00 57.66 O ATOM 0 H LYS B 87 -6.952 21.541 -3.805 1.00 51.78 H new ATOM 0 HA LYS B 87 -8.293 23.907 -4.961 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -8.653 22.270 -2.690 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -8.012 23.763 -2.033 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -10.288 24.315 -2.132 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -9.770 24.902 -3.700 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -10.790 23.146 -4.858 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -10.542 21.998 -3.557 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -12.379 24.319 -2.987 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -12.977 23.092 -4.086 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -13.524 22.553 -1.790 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -12.462 21.390 -2.423 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -11.883 22.578 -1.357 1.00 58.16 H new