USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 862 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 36 LYS NZ :NH3+ 173:sc= 0.299 (180deg=0.281) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 176:sc= 0.321 (180deg=0.303) USER MOD Single : A 18 SER OG : rot 89:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 0.855 (180deg=0.0529) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.277 USER MOD Single : A 31 SER OG : rot 86:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00508 USER MOD Single : A 46 SER OG : rot 46:sc= 0.14 USER MOD Single : A 48 ASN : amide:sc= -1.69! X(o=-1.7!,f=-1.3) USER MOD Single : A 51 MET CE :methyl 172:sc= -4.73! (180deg=-4.85!) USER MOD Single : A 53 CYS SG : rot 73:sc= 1.2 USER MOD Single : A 55 SER OG : rot 76:sc= 1.26 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.0367 (180deg=-0.317) USER MOD Single : A 72 SER OG : rot 126:sc= 1.18 USER MOD Single : A 78 HIS : no HE2:sc= 0.792 K(o=0.79,f=-2.5!) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 85 SER OG : rot -92:sc= 1.29 USER MOD Single : B 18 SER OG : rot 82:sc= 1.29 USER MOD Single : B 19 LYS NZ :NH3+ -150:sc= 0.856 (180deg=-0.134) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : B 29 TYR OH : rot 15:sc= -0.211 USER MOD Single : B 31 SER OG : rot 85:sc= 1.22 USER MOD Single : B 37 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.12) USER MOD Single : B 40 SER OG : rot 180:sc= 0.0046 USER MOD Single : B 46 SER OG : rot 44:sc= 0.172 USER MOD Single : B 48 ASN : amide:sc= -1.61! X(o=-1.6!,f=-1.3) USER MOD Single : B 51 MET CE :methyl 172:sc= -4.69! (180deg=-4.84!) USER MOD Single : B 53 CYS SG : rot 69:sc= 1.21 USER MOD Single : B 55 SER OG : rot 76:sc= 1.25 USER MOD Single : B 66 SER OG : rot 180:sc= 0.0419 USER MOD Single : B 71 LYS NZ :NH3+ 164:sc= -0.0338 (180deg=-0.308) USER MOD Single : B 72 SER OG : rot 125:sc= 1.24 USER MOD Single : B 78 HIS : no HE2:sc= 0.791 K(o=0.79,f=-2.5!) USER MOD Single : B 84 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 85 SER OG : rot -99:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.065 -8.396 7.360 1.00 0.93 N ATOM 49 CA ALA A 17 -7.056 -7.457 6.904 1.00 0.81 C ATOM 50 C ALA A 17 -5.766 -7.640 7.688 1.00 0.69 C ATOM 51 O ALA A 17 -5.365 -6.772 8.468 1.00 0.70 O ATOM 52 CB ALA A 17 -7.562 -6.028 7.029 1.00 1.09 C ATOM 0 HA ALA A 17 -6.849 -7.656 5.852 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.793 -5.338 6.683 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.459 -5.905 6.422 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.797 -5.815 8.072 1.00 1.09 H new ATOM 58 N SER A 18 -5.127 -8.782 7.491 1.00 0.64 N ATOM 59 CA SER A 18 -3.868 -9.074 8.154 1.00 0.61 C ATOM 60 C SER A 18 -2.735 -8.362 7.427 1.00 0.50 C ATOM 61 O SER A 18 -2.842 -8.123 6.223 1.00 0.45 O ATOM 62 CB SER A 18 -3.621 -10.583 8.172 1.00 0.66 C ATOM 63 OG SER A 18 -4.828 -11.290 8.414 1.00 1.32 O ATOM 0 H SER A 18 -5.461 -9.523 6.875 1.00 0.64 H new ATOM 0 HA SER A 18 -3.911 -8.719 9.184 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.195 -10.897 7.219 1.00 0.66 H new ATOM 0 HB3 SER A 18 -2.891 -10.827 8.943 1.00 0.66 H new ATOM 0 HG SER A 18 -5.273 -11.478 7.562 1.00 1.32 H new ATOM 69 N LYS A 19 -1.664 -8.015 8.132 1.00 0.50 N ATOM 70 CA LYS A 19 -0.584 -7.239 7.526 1.00 0.43 C ATOM 71 C LYS A 19 -0.072 -7.890 6.234 1.00 0.34 C ATOM 72 O LYS A 19 0.125 -7.204 5.227 1.00 0.28 O ATOM 73 CB LYS A 19 0.560 -7.005 8.525 1.00 0.54 C ATOM 74 CG LYS A 19 1.047 -8.251 9.244 1.00 0.84 C ATOM 75 CD LYS A 19 2.243 -7.936 10.131 1.00 1.12 C ATOM 76 CE LYS A 19 2.603 -9.105 11.035 1.00 1.73 C ATOM 77 NZ LYS A 19 1.570 -9.340 12.080 1.00 2.10 N ATOM 0 H LYS A 19 -1.519 -8.255 9.113 1.00 0.50 H new ATOM 0 HA LYS A 19 -0.995 -6.266 7.256 1.00 0.43 H new ATOM 0 HB2 LYS A 19 1.400 -6.558 7.994 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.230 -6.280 9.269 1.00 0.54 H new ATOM 0 HG2 LYS A 19 0.240 -8.665 9.849 1.00 0.84 H new ATOM 0 HG3 LYS A 19 1.321 -9.013 8.514 1.00 0.84 H new ATOM 0 HD2 LYS A 19 3.100 -7.682 9.508 1.00 1.12 H new ATOM 0 HD3 LYS A 19 2.022 -7.060 10.741 1.00 1.12 H new ATOM 0 HE2 LYS A 19 2.721 -10.006 10.433 1.00 1.73 H new ATOM 0 HE3 LYS A 19 3.564 -8.912 11.512 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 2.008 -9.801 12.903 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 1.157 -8.431 12.371 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 0.822 -9.953 11.697 1.00 2.10 H new ATOM 91 N GLU A 20 0.093 -9.210 6.255 1.00 0.41 N ATOM 92 CA GLU A 20 0.562 -9.953 5.084 1.00 0.41 C ATOM 93 C GLU A 20 -0.379 -9.775 3.886 1.00 0.34 C ATOM 94 O GLU A 20 0.069 -9.630 2.749 1.00 0.30 O ATOM 95 CB GLU A 20 0.696 -11.441 5.430 1.00 0.57 C ATOM 96 CG GLU A 20 -0.590 -12.061 5.959 1.00 0.64 C ATOM 97 CD GLU A 20 -0.412 -13.492 6.409 1.00 0.95 C ATOM 98 OE1 GLU A 20 0.080 -13.707 7.537 1.00 1.57 O ATOM 99 OE2 GLU A 20 -0.772 -14.410 5.643 1.00 1.49 O ATOM 0 H GLU A 20 -0.091 -9.791 7.073 1.00 0.41 H new ATOM 0 HA GLU A 20 1.536 -9.554 4.803 1.00 0.41 H new ATOM 0 HB2 GLU A 20 1.013 -11.985 4.540 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.482 -11.563 6.175 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -0.957 -11.466 6.795 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.353 -12.022 5.181 1.00 0.64 H new ATOM 106 N GLU A 21 -1.679 -9.761 4.158 1.00 0.37 N ATOM 107 CA GLU A 21 -2.696 -9.651 3.116 1.00 0.39 C ATOM 108 C GLU A 21 -2.686 -8.255 2.512 1.00 0.32 C ATOM 109 O GLU A 21 -2.863 -8.075 1.307 1.00 0.34 O ATOM 110 CB GLU A 21 -4.074 -9.952 3.705 1.00 0.50 C ATOM 111 CG GLU A 21 -4.146 -11.289 4.424 1.00 0.61 C ATOM 112 CD GLU A 21 -5.516 -11.577 5.005 1.00 0.91 C ATOM 113 OE1 GLU A 21 -5.897 -10.932 6.007 1.00 1.49 O ATOM 114 OE2 GLU A 21 -6.205 -12.472 4.481 1.00 1.54 O ATOM 0 H GLU A 21 -2.058 -9.825 5.103 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.474 -10.373 2.331 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.344 -9.158 4.402 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -4.814 -9.938 2.904 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -3.878 -12.084 3.728 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.407 -11.304 5.225 1.00 0.61 H new ATOM 121 N ILE A 22 -2.473 -7.273 3.369 1.00 0.30 N ATOM 122 CA ILE A 22 -2.411 -5.883 2.955 1.00 0.28 C ATOM 123 C ILE A 22 -1.167 -5.630 2.116 1.00 0.24 C ATOM 124 O ILE A 22 -1.242 -5.028 1.044 1.00 0.26 O ATOM 125 CB ILE A 22 -2.404 -4.965 4.187 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.682 -5.191 4.992 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.270 -3.503 3.777 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.586 -4.719 6.420 1.00 0.44 C ATOM 0 H ILE A 22 -2.338 -7.416 4.370 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.291 -5.664 2.350 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.543 -5.209 4.809 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.507 -4.674 4.502 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.923 -6.254 4.985 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.268 -2.874 4.667 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.337 -3.362 3.231 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.109 -3.226 3.139 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.529 -4.911 6.931 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.783 -5.254 6.927 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.376 -3.650 6.436 1.00 0.44 H new ATOM 135 N ALA A 23 -0.030 -6.113 2.604 1.00 0.20 N ATOM 136 CA ALA A 23 1.233 -5.972 1.892 1.00 0.19 C ATOM 137 C ALA A 23 1.155 -6.630 0.524 1.00 0.20 C ATOM 138 O ALA A 23 1.804 -6.188 -0.423 1.00 0.20 O ATOM 139 CB ALA A 23 2.369 -6.571 2.699 1.00 0.20 C ATOM 0 H ALA A 23 0.042 -6.607 3.493 1.00 0.20 H new ATOM 0 HA ALA A 23 1.428 -4.909 1.753 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.304 -6.456 2.151 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.445 -6.058 3.658 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.176 -7.630 2.869 1.00 0.20 H new ATOM 145 N ALA A 24 0.347 -7.680 0.431 1.00 0.22 N ATOM 146 CA ALA A 24 0.122 -8.376 -0.826 1.00 0.25 C ATOM 147 C ALA A 24 -0.377 -7.412 -1.898 1.00 0.24 C ATOM 148 O ALA A 24 0.183 -7.348 -2.990 1.00 0.25 O ATOM 149 CB ALA A 24 -0.869 -9.510 -0.625 1.00 0.31 C ATOM 0 H ALA A 24 -0.167 -8.069 1.221 1.00 0.22 H new ATOM 0 HA ALA A 24 1.070 -8.795 -1.164 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -1.030 -10.024 -1.572 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.473 -10.214 0.107 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.816 -9.107 -0.266 1.00 0.31 H new ATOM 155 N LEU A 25 -1.414 -6.644 -1.578 1.00 0.23 N ATOM 156 CA LEU A 25 -1.938 -5.654 -2.514 1.00 0.23 C ATOM 157 C LEU A 25 -0.948 -4.515 -2.714 1.00 0.22 C ATOM 158 O LEU A 25 -0.831 -3.972 -3.812 1.00 0.25 O ATOM 159 CB LEU A 25 -3.274 -5.087 -2.035 1.00 0.26 C ATOM 160 CG LEU A 25 -4.484 -6.001 -2.213 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.740 -5.300 -1.725 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.641 -6.412 -3.670 1.00 0.44 C ATOM 0 H LEU A 25 -1.905 -6.687 -0.685 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.094 -6.163 -3.465 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.183 -4.837 -0.978 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.464 -4.155 -2.568 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.327 -6.902 -1.620 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.598 -5.959 -1.856 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.631 -5.051 -0.669 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.893 -4.386 -2.299 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.509 -7.063 -3.773 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.779 -5.523 -4.286 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.748 -6.945 -3.996 1.00 0.44 H new ATOM 174 N ILE A 26 -0.242 -4.158 -1.650 1.00 0.21 N ATOM 175 CA ILE A 26 0.738 -3.082 -1.706 1.00 0.22 C ATOM 176 C ILE A 26 1.836 -3.394 -2.724 1.00 0.20 C ATOM 177 O ILE A 26 2.086 -2.605 -3.639 1.00 0.23 O ATOM 178 CB ILE A 26 1.368 -2.817 -0.320 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.297 -2.348 0.672 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.482 -1.787 -0.431 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.828 -2.083 2.067 1.00 0.27 C ATOM 0 H ILE A 26 -0.330 -4.599 -0.735 1.00 0.21 H new ATOM 0 HA ILE A 26 0.210 -2.182 -2.021 1.00 0.22 H new ATOM 0 HB ILE A 26 1.797 -3.748 0.050 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.165 -1.437 0.290 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.487 -3.103 0.729 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.915 -1.612 0.554 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.254 -2.157 -1.106 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.077 -0.853 -0.820 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.012 -1.755 2.711 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.264 -2.997 2.470 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.591 -1.306 2.024 1.00 0.27 H new ATOM 188 N VAL A 27 2.469 -4.555 -2.583 1.00 0.18 N ATOM 189 CA VAL A 27 3.537 -4.949 -3.495 1.00 0.20 C ATOM 190 C VAL A 27 2.983 -5.251 -4.884 1.00 0.22 C ATOM 191 O VAL A 27 3.663 -5.048 -5.892 1.00 0.24 O ATOM 192 CB VAL A 27 4.339 -6.167 -2.976 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.999 -5.845 -1.645 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.459 -7.403 -2.852 1.00 0.21 C ATOM 0 H VAL A 27 2.263 -5.235 -1.851 1.00 0.18 H new ATOM 0 HA VAL A 27 4.221 -4.102 -3.554 1.00 0.20 H new ATOM 0 HB VAL A 27 5.117 -6.387 -3.707 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.558 -6.713 -1.297 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.679 -5.002 -1.770 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.234 -5.588 -0.912 1.00 0.21 H new ATOM 0 HG21 VAL A 27 4.055 -8.239 -2.485 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.646 -7.203 -2.154 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.045 -7.654 -3.828 1.00 0.21 H new ATOM 198 N ASN A 28 1.739 -5.720 -4.933 1.00 0.26 N ATOM 199 CA ASN A 28 1.070 -5.984 -6.201 1.00 0.32 C ATOM 200 C ASN A 28 0.894 -4.688 -6.978 1.00 0.27 C ATOM 201 O ASN A 28 1.162 -4.633 -8.175 1.00 0.29 O ATOM 202 CB ASN A 28 -0.294 -6.648 -5.973 1.00 0.45 C ATOM 203 CG ASN A 28 -1.027 -6.943 -7.270 1.00 0.68 C ATOM 204 OD1 ASN A 28 -1.787 -6.115 -7.773 1.00 1.59 O ATOM 205 ND2 ASN A 28 -0.809 -8.129 -7.819 1.00 0.86 N ATOM 0 H ASN A 28 1.175 -5.925 -4.108 1.00 0.26 H new ATOM 0 HA ASN A 28 1.692 -6.668 -6.779 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.153 -7.577 -5.421 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.910 -5.998 -5.352 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.278 -8.383 -8.688 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -0.172 -8.788 -7.372 1.00 0.86 H new ATOM 212 N TYR A 29 0.467 -3.640 -6.281 1.00 0.25 N ATOM 213 CA TYR A 29 0.270 -2.342 -6.907 1.00 0.24 C ATOM 214 C TYR A 29 1.576 -1.812 -7.485 1.00 0.19 C ATOM 215 O TYR A 29 1.622 -1.392 -8.638 1.00 0.19 O ATOM 216 CB TYR A 29 -0.309 -1.333 -5.915 1.00 0.29 C ATOM 217 CG TYR A 29 -0.442 0.056 -6.500 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.275 0.291 -7.587 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.288 1.122 -5.988 1.00 1.20 C ATOM 220 CE1 TYR A 29 -1.381 1.549 -8.144 1.00 1.25 C ATOM 221 CE2 TYR A 29 0.190 2.382 -6.544 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.645 2.589 -7.621 1.00 0.43 C ATOM 223 OH TYR A 29 -0.737 3.840 -8.185 1.00 0.50 O ATOM 0 H TYR A 29 0.252 -3.666 -5.284 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.443 -2.476 -7.720 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.288 -1.678 -5.583 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.330 -1.291 -5.033 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.849 -0.524 -8.003 1.00 1.23 H new ATOM 0 HD2 TYR A 29 0.941 0.963 -5.143 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -2.037 1.717 -8.985 1.00 1.25 H new ATOM 0 HE2 TYR A 29 0.765 3.201 -6.137 1.00 1.22 H new ATOM 0 HH TYR A 29 -1.522 3.878 -8.771 1.00 0.50 H new ATOM 233 N PHE A 30 2.638 -1.841 -6.685 1.00 0.16 N ATOM 234 CA PHE A 30 3.945 -1.384 -7.144 1.00 0.16 C ATOM 235 C PHE A 30 4.385 -2.167 -8.375 1.00 0.18 C ATOM 236 O PHE A 30 4.877 -1.593 -9.350 1.00 0.21 O ATOM 237 CB PHE A 30 4.998 -1.535 -6.047 1.00 0.19 C ATOM 238 CG PHE A 30 4.822 -0.614 -4.872 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.532 0.727 -5.056 1.00 1.19 C ATOM 240 CD2 PHE A 30 4.964 -1.093 -3.578 1.00 1.18 C ATOM 241 CE1 PHE A 30 4.384 1.573 -3.973 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.820 -0.251 -2.494 1.00 1.17 C ATOM 243 CZ PHE A 30 4.529 1.083 -2.691 1.00 0.25 C ATOM 0 H PHE A 30 2.620 -2.174 -5.721 1.00 0.16 H new ATOM 0 HA PHE A 30 3.852 -0.329 -7.400 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.984 -2.564 -5.689 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.982 -1.362 -6.482 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.420 1.117 -6.057 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.190 -2.137 -3.417 1.00 1.18 H new ATOM 0 HE1 PHE A 30 4.155 2.617 -4.130 1.00 1.22 H new ATOM 0 HE2 PHE A 30 4.935 -0.636 -1.492 1.00 1.17 H new ATOM 0 HZ PHE A 30 4.415 1.743 -1.844 1.00 0.25 H new ATOM 253 N SER A 31 4.190 -3.477 -8.329 1.00 0.21 N ATOM 254 CA SER A 31 4.548 -4.343 -9.441 1.00 0.27 C ATOM 255 C SER A 31 3.666 -4.054 -10.658 1.00 0.25 C ATOM 256 O SER A 31 4.088 -4.225 -11.797 1.00 0.27 O ATOM 257 CB SER A 31 4.429 -5.810 -9.023 1.00 0.35 C ATOM 258 OG SER A 31 5.231 -6.079 -7.880 1.00 1.15 O ATOM 0 H SER A 31 3.784 -3.964 -7.530 1.00 0.21 H new ATOM 0 HA SER A 31 5.582 -4.143 -9.720 1.00 0.27 H new ATOM 0 HB2 SER A 31 3.388 -6.047 -8.805 1.00 0.35 H new ATOM 0 HB3 SER A 31 4.737 -6.453 -9.847 1.00 0.35 H new ATOM 0 HG SER A 31 4.724 -5.869 -7.068 1.00 1.15 H new ATOM 264 N SER A 32 2.447 -3.593 -10.408 1.00 0.27 N ATOM 265 CA SER A 32 1.526 -3.234 -11.476 1.00 0.30 C ATOM 266 C SER A 32 1.954 -1.921 -12.132 1.00 0.28 C ATOM 267 O SER A 32 1.765 -1.723 -13.336 1.00 0.35 O ATOM 268 CB SER A 32 0.101 -3.116 -10.925 1.00 0.40 C ATOM 269 OG SER A 32 -0.840 -2.894 -11.963 1.00 0.99 O ATOM 0 H SER A 32 2.073 -3.459 -9.469 1.00 0.27 H new ATOM 0 HA SER A 32 1.545 -4.019 -12.232 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.158 -4.027 -10.386 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.054 -2.297 -10.208 1.00 0.40 H new ATOM 0 HG SER A 32 -1.739 -2.825 -11.580 1.00 0.99 H new ATOM 275 N ILE A 33 2.539 -1.024 -11.341 1.00 0.24 N ATOM 276 CA ILE A 33 3.019 0.250 -11.861 1.00 0.26 C ATOM 277 C ILE A 33 4.161 0.027 -12.841 1.00 0.26 C ATOM 278 O ILE A 33 4.208 0.645 -13.904 1.00 0.31 O ATOM 279 CB ILE A 33 3.515 1.194 -10.744 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.456 1.371 -9.658 1.00 0.30 C ATOM 281 CG2 ILE A 33 3.882 2.548 -11.329 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.929 2.230 -8.507 1.00 0.34 C ATOM 0 H ILE A 33 2.691 -1.157 -10.341 1.00 0.24 H new ATOM 0 HA ILE A 33 2.170 0.718 -12.359 1.00 0.26 H new ATOM 0 HB ILE A 33 4.398 0.743 -10.291 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.565 1.820 -10.097 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.166 0.391 -9.278 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.230 3.206 -10.533 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.673 2.423 -12.068 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.006 2.988 -11.806 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.133 2.319 -7.768 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.803 1.771 -8.045 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.193 3.221 -8.877 1.00 0.34 H new ATOM 289 N VAL A 34 5.078 -0.864 -12.482 1.00 0.24 N ATOM 290 CA VAL A 34 6.220 -1.165 -13.338 1.00 0.31 C ATOM 291 C VAL A 34 5.820 -2.124 -14.457 1.00 0.37 C ATOM 292 O VAL A 34 6.497 -2.211 -15.481 1.00 0.47 O ATOM 293 CB VAL A 34 7.405 -1.754 -12.539 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.862 -0.778 -11.465 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.044 -3.096 -11.921 1.00 0.33 C ATOM 0 H VAL A 34 5.054 -1.389 -11.608 1.00 0.24 H new ATOM 0 HA VAL A 34 6.547 -0.221 -13.774 1.00 0.31 H new ATOM 0 HB VAL A 34 8.228 -1.918 -13.235 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.697 -1.209 -10.913 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.179 0.154 -11.932 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.038 -0.579 -10.780 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.899 -3.483 -11.366 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.199 -2.969 -11.244 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.775 -3.799 -12.709 1.00 0.33 H new ATOM 299 N GLU A 35 4.707 -2.827 -14.259 1.00 0.35 N ATOM 300 CA GLU A 35 4.165 -3.716 -15.277 1.00 0.46 C ATOM 301 C GLU A 35 3.753 -2.913 -16.508 1.00 0.50 C ATOM 302 O GLU A 35 4.056 -3.286 -17.639 1.00 0.61 O ATOM 303 CB GLU A 35 2.958 -4.479 -14.724 1.00 0.50 C ATOM 304 CG GLU A 35 2.431 -5.562 -15.651 1.00 0.70 C ATOM 305 CD GLU A 35 3.404 -6.708 -15.819 1.00 1.49 C ATOM 306 OE1 GLU A 35 4.264 -6.642 -16.718 1.00 2.22 O ATOM 307 OE2 GLU A 35 3.307 -7.694 -15.059 1.00 2.19 O ATOM 0 H GLU A 35 4.162 -2.796 -13.397 1.00 0.35 H new ATOM 0 HA GLU A 35 4.935 -4.433 -15.562 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.234 -4.933 -13.772 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.156 -3.770 -14.519 1.00 0.50 H new ATOM 0 HG2 GLU A 35 1.489 -5.945 -15.258 1.00 0.70 H new ATOM 0 HG3 GLU A 35 2.216 -5.127 -16.627 1.00 0.70 H new ATOM 314 N LYS A 36 3.066 -1.802 -16.274 1.00 0.47 N ATOM 315 CA LYS A 36 2.645 -0.919 -17.358 1.00 0.54 C ATOM 316 C LYS A 36 3.679 0.183 -17.588 1.00 0.50 C ATOM 317 O LYS A 36 3.614 0.930 -18.565 1.00 0.60 O ATOM 318 CB LYS A 36 1.273 -0.309 -17.052 1.00 0.67 C ATOM 319 CG LYS A 36 1.227 0.472 -15.746 1.00 0.71 C ATOM 320 CD LYS A 36 -0.145 1.084 -15.500 1.00 0.97 C ATOM 321 CE LYS A 36 -1.211 0.024 -15.245 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.926 -0.783 -14.026 1.00 2.08 N ATOM 0 H LYS A 36 2.788 -1.490 -15.344 1.00 0.47 H new ATOM 0 HA LYS A 36 2.565 -1.511 -18.270 1.00 0.54 H new ATOM 0 HB2 LYS A 36 0.989 0.352 -17.871 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.531 -1.107 -17.014 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.484 -0.189 -14.918 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.978 1.261 -15.768 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.093 1.757 -14.644 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.432 1.686 -16.362 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -2.182 0.507 -15.139 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -1.276 -0.638 -16.109 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.711 -1.444 -13.856 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -0.045 -1.319 -14.163 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -0.823 -0.150 -13.207 1.00 2.08 H new ATOM 336 N LYS A 37 4.632 0.252 -16.658 1.00 0.47 N ATOM 337 CA LYS A 37 5.715 1.233 -16.675 1.00 0.54 C ATOM 338 C LYS A 37 5.166 2.662 -16.693 1.00 0.59 C ATOM 339 O LYS A 37 5.452 3.444 -17.599 1.00 0.75 O ATOM 340 CB LYS A 37 6.654 0.991 -17.863 1.00 0.71 C ATOM 341 CG LYS A 37 8.017 1.640 -17.695 1.00 1.18 C ATOM 342 CD LYS A 37 8.952 1.300 -18.844 1.00 1.41 C ATOM 343 CE LYS A 37 10.346 1.853 -18.596 1.00 1.98 C ATOM 344 NZ LYS A 37 11.278 1.557 -19.715 1.00 2.60 N ATOM 0 H LYS A 37 4.673 -0.382 -15.860 1.00 0.47 H new ATOM 0 HA LYS A 37 6.292 1.110 -15.758 1.00 0.54 H new ATOM 0 HB2 LYS A 37 6.785 -0.082 -18.000 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.187 1.374 -18.770 1.00 0.71 H new ATOM 0 HG2 LYS A 37 7.899 2.722 -17.631 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.462 1.312 -16.756 1.00 1.18 H new ATOM 0 HD2 LYS A 37 9.003 0.218 -18.968 1.00 1.41 H new ATOM 0 HD3 LYS A 37 8.555 1.709 -19.773 1.00 1.41 H new ATOM 0 HE2 LYS A 37 10.286 2.932 -18.452 1.00 1.98 H new ATOM 0 HE3 LYS A 37 10.743 1.430 -17.674 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 12.251 1.785 -19.426 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 11.217 0.548 -19.960 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 11.020 2.131 -20.543 1.00 2.60 H new ATOM 358 N GLU A 38 4.382 2.995 -15.674 1.00 0.54 N ATOM 359 CA GLU A 38 3.788 4.323 -15.563 1.00 0.68 C ATOM 360 C GLU A 38 4.740 5.224 -14.790 1.00 0.69 C ATOM 361 O GLU A 38 4.818 6.430 -15.021 1.00 1.03 O ATOM 362 CB GLU A 38 2.426 4.224 -14.856 1.00 0.79 C ATOM 363 CG GLU A 38 1.482 5.401 -15.099 1.00 1.36 C ATOM 364 CD GLU A 38 1.765 6.610 -14.225 1.00 1.41 C ATOM 365 OE1 GLU A 38 1.401 6.584 -13.027 1.00 2.12 O ATOM 366 OE2 GLU A 38 2.314 7.605 -14.731 1.00 1.86 O ATOM 0 H GLU A 38 4.142 2.362 -14.911 1.00 0.54 H new ATOM 0 HA GLU A 38 3.625 4.748 -16.553 1.00 0.68 H new ATOM 0 HB2 GLU A 38 1.931 3.309 -15.181 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.597 4.131 -13.784 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.550 5.698 -16.146 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.457 5.073 -14.927 1.00 1.36 H new ATOM 373 N ILE A 39 5.494 4.609 -13.896 1.00 0.42 N ATOM 374 CA ILE A 39 6.419 5.336 -13.041 1.00 0.43 C ATOM 375 C ILE A 39 7.771 5.504 -13.731 1.00 0.48 C ATOM 376 O ILE A 39 8.117 4.736 -14.635 1.00 0.51 O ATOM 377 CB ILE A 39 6.602 4.611 -11.685 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.290 5.526 -10.669 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.391 3.316 -11.865 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.340 4.951 -9.271 1.00 0.47 C ATOM 0 H ILE A 39 5.484 3.601 -13.742 1.00 0.42 H new ATOM 0 HA ILE A 39 5.996 6.323 -12.852 1.00 0.43 H new ATOM 0 HB ILE A 39 5.614 4.357 -11.301 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.307 5.729 -11.006 1.00 0.45 H new ATOM 0 HG13 ILE A 39 6.767 6.482 -10.641 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.507 2.824 -10.900 1.00 0.36 H new ATOM 0 HG22 ILE A 39 6.856 2.655 -12.547 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.374 3.543 -12.277 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.841 5.654 -8.606 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.325 4.774 -8.914 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.889 4.010 -9.284 1.00 0.47 H new ATOM 387 N SER A 40 8.511 6.526 -13.319 1.00 0.54 N ATOM 388 CA SER A 40 9.848 6.777 -13.831 1.00 0.62 C ATOM 389 C SER A 40 10.771 5.607 -13.491 1.00 0.53 C ATOM 390 O SER A 40 10.630 4.974 -12.444 1.00 0.48 O ATOM 391 CB SER A 40 10.386 8.066 -13.213 1.00 0.76 C ATOM 392 OG SER A 40 9.414 9.098 -13.263 1.00 1.82 O ATOM 0 H SER A 40 8.200 7.202 -12.621 1.00 0.54 H new ATOM 0 HA SER A 40 9.808 6.881 -14.915 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.676 7.884 -12.178 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.284 8.381 -13.744 1.00 0.76 H new ATOM 0 HG SER A 40 9.781 9.913 -12.860 1.00 1.82 H new ATOM 398 N GLU A 41 11.719 5.337 -14.385 1.00 0.59 N ATOM 399 CA GLU A 41 12.617 4.192 -14.248 1.00 0.60 C ATOM 400 C GLU A 41 13.478 4.307 -12.993 1.00 0.49 C ATOM 401 O GLU A 41 13.898 3.299 -12.426 1.00 0.46 O ATOM 402 CB GLU A 41 13.504 4.061 -15.486 1.00 0.78 C ATOM 403 CG GLU A 41 12.720 3.956 -16.784 1.00 1.07 C ATOM 404 CD GLU A 41 13.600 3.644 -17.976 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.349 4.538 -18.424 1.00 1.99 O ATOM 406 OE2 GLU A 41 13.548 2.499 -18.473 1.00 2.19 O ATOM 0 H GLU A 41 11.886 5.900 -15.219 1.00 0.59 H new ATOM 0 HA GLU A 41 12.003 3.296 -14.154 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.168 4.924 -15.540 1.00 0.78 H new ATOM 0 HB3 GLU A 41 14.135 3.179 -15.379 1.00 0.78 H new ATOM 0 HG2 GLU A 41 11.962 3.179 -16.684 1.00 1.07 H new ATOM 0 HG3 GLU A 41 12.193 4.894 -16.962 1.00 1.07 H new ATOM 413 N ASP A 42 13.735 5.538 -12.564 1.00 0.52 N ATOM 414 CA ASP A 42 14.469 5.782 -11.327 1.00 0.52 C ATOM 415 C ASP A 42 13.637 5.353 -10.127 1.00 0.43 C ATOM 416 O ASP A 42 14.137 4.702 -9.207 1.00 0.47 O ATOM 417 CB ASP A 42 14.831 7.264 -11.202 1.00 0.62 C ATOM 418 CG ASP A 42 15.554 7.580 -9.907 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.787 7.391 -9.849 1.00 2.21 O ATOM 420 OD2 ASP A 42 14.897 8.040 -8.949 1.00 2.30 O ATOM 0 H ASP A 42 13.445 6.384 -13.055 1.00 0.52 H new ATOM 0 HA ASP A 42 15.388 5.196 -11.352 1.00 0.52 H new ATOM 0 HB2 ASP A 42 15.459 7.553 -12.045 1.00 0.62 H new ATOM 0 HB3 ASP A 42 13.922 7.863 -11.262 1.00 0.62 H new ATOM 425 N GLY A 43 12.357 5.713 -10.159 1.00 0.39 N ATOM 426 CA GLY A 43 11.448 5.342 -9.094 1.00 0.37 C ATOM 427 C GLY A 43 11.157 3.857 -9.088 1.00 0.34 C ATOM 428 O GLY A 43 10.964 3.258 -8.033 1.00 0.35 O ATOM 0 H GLY A 43 11.933 6.258 -10.909 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.877 5.631 -8.134 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.515 5.894 -9.205 1.00 0.37 H new ATOM 432 N ALA A 44 11.123 3.263 -10.271 1.00 0.33 N ATOM 433 CA ALA A 44 10.934 1.827 -10.396 1.00 0.33 C ATOM 434 C ALA A 44 12.073 1.082 -9.709 1.00 0.32 C ATOM 435 O ALA A 44 11.860 0.058 -9.062 1.00 0.31 O ATOM 436 CB ALA A 44 10.841 1.433 -11.862 1.00 0.38 C ATOM 0 H ALA A 44 11.224 3.754 -11.159 1.00 0.33 H new ATOM 0 HA ALA A 44 10.000 1.552 -9.907 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.700 0.355 -11.941 1.00 0.38 H new ATOM 0 HB2 ALA A 44 9.996 1.944 -12.323 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.760 1.717 -12.374 1.00 0.38 H new ATOM 442 N ASP A 45 13.276 1.632 -9.830 1.00 0.36 N ATOM 443 CA ASP A 45 14.463 1.045 -9.219 1.00 0.38 C ATOM 444 C ASP A 45 14.381 1.087 -7.697 1.00 0.36 C ATOM 445 O ASP A 45 14.713 0.113 -7.019 1.00 0.37 O ATOM 446 CB ASP A 45 15.719 1.778 -9.690 1.00 0.48 C ATOM 447 CG ASP A 45 16.960 1.331 -8.946 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.517 0.265 -9.283 1.00 1.81 O ATOM 449 OD2 ASP A 45 17.389 2.048 -8.018 1.00 1.84 O ATOM 0 H ASP A 45 13.456 2.491 -10.350 1.00 0.36 H new ATOM 0 HA ASP A 45 14.516 0.002 -9.530 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.857 1.607 -10.758 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.583 2.851 -9.554 1.00 0.48 H new ATOM 454 N SER A 46 13.929 2.212 -7.159 1.00 0.38 N ATOM 455 CA SER A 46 13.797 2.359 -5.718 1.00 0.41 C ATOM 456 C SER A 46 12.672 1.472 -5.187 1.00 0.36 C ATOM 457 O SER A 46 12.722 0.999 -4.051 1.00 0.39 O ATOM 458 CB SER A 46 13.569 3.827 -5.355 1.00 0.51 C ATOM 459 OG SER A 46 12.952 4.527 -6.421 1.00 0.98 O ATOM 0 H SER A 46 13.649 3.032 -7.697 1.00 0.38 H new ATOM 0 HA SER A 46 14.724 2.034 -5.245 1.00 0.41 H new ATOM 0 HB2 SER A 46 12.944 3.892 -4.464 1.00 0.51 H new ATOM 0 HB3 SER A 46 14.522 4.297 -5.111 1.00 0.51 H new ATOM 0 HG SER A 46 12.205 3.998 -6.771 1.00 0.98 H new ATOM 465 N LEU A 47 11.668 1.226 -6.021 1.00 0.32 N ATOM 466 CA LEU A 47 10.597 0.306 -5.663 1.00 0.30 C ATOM 467 C LEU A 47 11.111 -1.130 -5.643 1.00 0.27 C ATOM 468 O LEU A 47 10.591 -1.969 -4.915 1.00 0.29 O ATOM 469 CB LEU A 47 9.416 0.422 -6.632 1.00 0.30 C ATOM 470 CG LEU A 47 8.660 1.753 -6.592 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.491 1.725 -7.564 1.00 0.39 C ATOM 472 CD2 LEU A 47 8.174 2.054 -5.182 1.00 0.41 C ATOM 0 H LEU A 47 11.574 1.649 -6.945 1.00 0.32 H new ATOM 0 HA LEU A 47 10.250 0.576 -4.666 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.783 0.263 -7.646 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.712 -0.382 -6.418 1.00 0.30 H new ATOM 0 HG LEU A 47 9.344 2.547 -6.893 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.963 2.678 -7.525 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.862 1.557 -8.575 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.809 0.920 -7.290 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.640 3.004 -5.176 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.505 1.260 -4.850 1.00 0.41 H new ATOM 0 HD23 LEU A 47 9.028 2.114 -4.508 1.00 0.41 H new ATOM 484 N ASN A 48 12.140 -1.405 -6.437 1.00 0.26 N ATOM 485 CA ASN A 48 12.727 -2.742 -6.496 1.00 0.26 C ATOM 486 C ASN A 48 13.326 -3.131 -5.149 1.00 0.28 C ATOM 487 O ASN A 48 12.972 -4.168 -4.585 1.00 0.32 O ATOM 488 CB ASN A 48 13.807 -2.827 -7.581 1.00 0.28 C ATOM 489 CG ASN A 48 13.254 -2.730 -8.993 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.927 -2.245 -9.900 1.00 0.48 O ATOM 491 ND2 ASN A 48 12.034 -3.201 -9.196 1.00 0.40 N ATOM 0 H ASN A 48 12.586 -0.722 -7.049 1.00 0.26 H new ATOM 0 HA ASN A 48 11.926 -3.438 -6.745 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.530 -2.026 -7.426 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.346 -3.768 -7.474 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.623 -3.168 -10.129 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.504 -3.597 -8.419 1.00 0.40 H new ATOM 498 N VAL A 49 14.221 -2.296 -4.628 1.00 0.27 N ATOM 499 CA VAL A 49 14.842 -2.566 -3.335 1.00 0.29 C ATOM 500 C VAL A 49 13.788 -2.556 -2.230 1.00 0.30 C ATOM 501 O VAL A 49 13.832 -3.367 -1.305 1.00 0.32 O ATOM 502 CB VAL A 49 15.980 -1.561 -3.006 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.473 -0.127 -2.986 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.642 -1.909 -1.677 1.00 0.36 C ATOM 0 H VAL A 49 14.530 -1.434 -5.077 1.00 0.27 H new ATOM 0 HA VAL A 49 15.294 -3.556 -3.393 1.00 0.29 H new ATOM 0 HB VAL A 49 16.724 -1.641 -3.799 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.297 0.547 -2.752 1.00 0.34 H new ATOM 0 HG12 VAL A 49 15.062 0.127 -3.963 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.696 -0.026 -2.228 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.436 -1.192 -1.467 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.899 -1.872 -0.880 1.00 0.36 H new ATOM 0 HG23 VAL A 49 17.065 -2.912 -1.733 1.00 0.36 H new ATOM 508 N ALA A 50 12.818 -1.657 -2.355 1.00 0.30 N ATOM 509 CA ALA A 50 11.733 -1.561 -1.391 1.00 0.34 C ATOM 510 C ALA A 50 10.879 -2.823 -1.403 1.00 0.34 C ATOM 511 O ALA A 50 10.389 -3.256 -0.364 1.00 0.37 O ATOM 512 CB ALA A 50 10.873 -0.340 -1.685 1.00 0.37 C ATOM 0 H ALA A 50 12.763 -0.983 -3.118 1.00 0.30 H new ATOM 0 HA ALA A 50 12.169 -1.455 -0.398 1.00 0.34 H new ATOM 0 HB1 ALA A 50 10.065 -0.280 -0.956 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.485 0.560 -1.623 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.452 -0.424 -2.687 1.00 0.37 H new ATOM 518 N MET A 51 10.731 -3.415 -2.581 1.00 0.34 N ATOM 519 CA MET A 51 9.882 -4.589 -2.765 1.00 0.39 C ATOM 520 C MET A 51 10.326 -5.731 -1.866 1.00 0.31 C ATOM 521 O MET A 51 9.526 -6.298 -1.117 1.00 0.30 O ATOM 522 CB MET A 51 9.927 -5.041 -4.224 1.00 0.52 C ATOM 523 CG MET A 51 8.707 -5.835 -4.655 1.00 0.62 C ATOM 524 SD MET A 51 7.179 -4.909 -4.432 1.00 0.65 S ATOM 525 CE MET A 51 7.673 -3.311 -5.072 1.00 0.41 C ATOM 0 H MET A 51 11.193 -3.098 -3.433 1.00 0.34 H new ATOM 0 HA MET A 51 8.862 -4.314 -2.497 1.00 0.39 H new ATOM 0 HB2 MET A 51 10.023 -4.164 -4.864 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.818 -5.649 -4.380 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.810 -6.116 -5.703 1.00 0.62 H new ATOM 0 HG3 MET A 51 8.656 -6.760 -4.081 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.801 -2.660 -5.138 1.00 0.41 H new ATOM 0 HE2 MET A 51 8.410 -2.864 -4.405 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.109 -3.435 -6.063 1.00 0.41 H new ATOM 535 N ASP A 52 11.607 -6.060 -1.937 1.00 0.31 N ATOM 536 CA ASP A 52 12.159 -7.134 -1.124 1.00 0.32 C ATOM 537 C ASP A 52 12.154 -6.755 0.350 1.00 0.28 C ATOM 538 O ASP A 52 11.988 -7.611 1.215 1.00 0.30 O ATOM 539 CB ASP A 52 13.571 -7.497 -1.586 1.00 0.42 C ATOM 540 CG ASP A 52 13.558 -8.340 -2.845 1.00 1.16 C ATOM 541 OD1 ASP A 52 13.481 -7.768 -3.954 1.00 1.99 O ATOM 542 OD2 ASP A 52 13.614 -9.583 -2.729 1.00 1.84 O ATOM 0 H ASP A 52 12.283 -5.600 -2.547 1.00 0.31 H new ATOM 0 HA ASP A 52 11.525 -8.012 -1.250 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.139 -6.584 -1.767 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.084 -8.040 -0.792 1.00 0.42 H new ATOM 547 N CYS A 53 12.310 -5.465 0.629 1.00 0.27 N ATOM 548 CA CYS A 53 12.234 -4.970 1.998 1.00 0.27 C ATOM 549 C CYS A 53 10.843 -5.213 2.580 1.00 0.29 C ATOM 550 O CYS A 53 10.711 -5.730 3.685 1.00 0.36 O ATOM 551 CB CYS A 53 12.577 -3.480 2.049 1.00 0.36 C ATOM 552 SG CYS A 53 14.274 -3.098 1.562 1.00 1.05 S ATOM 0 H CYS A 53 12.489 -4.746 -0.072 1.00 0.27 H new ATOM 0 HA CYS A 53 12.961 -5.515 2.600 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.892 -2.938 1.397 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.410 -3.114 3.062 1.00 0.36 H new ATOM 0 HG CYS A 53 14.397 -3.232 0.275 1.00 1.05 H new ATOM 558 N ILE A 54 9.811 -4.849 1.820 1.00 0.26 N ATOM 559 CA ILE A 54 8.427 -5.084 2.230 1.00 0.29 C ATOM 560 C ILE A 54 8.187 -6.578 2.433 1.00 0.30 C ATOM 561 O ILE A 54 7.604 -7.001 3.432 1.00 0.33 O ATOM 562 CB ILE A 54 7.425 -4.557 1.172 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.649 -3.064 0.911 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.990 -4.805 1.624 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.904 -2.536 -0.301 1.00 0.34 C ATOM 0 H ILE A 54 9.908 -4.389 0.915 1.00 0.26 H new ATOM 0 HA ILE A 54 8.267 -4.546 3.164 1.00 0.29 H new ATOM 0 HB ILE A 54 7.595 -5.099 0.242 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.339 -2.500 1.791 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.716 -2.884 0.777 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.300 -4.428 0.869 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.831 -5.875 1.759 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.811 -4.289 2.568 1.00 0.33 H new ATOM 0 HD11 ILE A 54 7.112 -1.473 -0.421 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.231 -3.073 -1.192 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.833 -2.683 -0.162 1.00 0.34 H new ATOM 572 N SER A 55 8.668 -7.365 1.483 1.00 0.30 N ATOM 573 CA SER A 55 8.496 -8.810 1.513 1.00 0.36 C ATOM 574 C SER A 55 9.157 -9.421 2.751 1.00 0.38 C ATOM 575 O SER A 55 8.537 -10.206 3.470 1.00 0.41 O ATOM 576 CB SER A 55 9.076 -9.420 0.238 1.00 0.40 C ATOM 577 OG SER A 55 8.505 -8.821 -0.914 1.00 0.80 O ATOM 0 H SER A 55 9.186 -7.023 0.674 1.00 0.30 H new ATOM 0 HA SER A 55 7.430 -9.033 1.566 1.00 0.36 H new ATOM 0 HB2 SER A 55 10.158 -9.285 0.225 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.888 -10.494 0.226 1.00 0.40 H new ATOM 0 HG SER A 55 8.899 -7.934 -1.051 1.00 0.80 H new ATOM 583 N GLU A 56 10.404 -9.042 3.006 1.00 0.39 N ATOM 584 CA GLU A 56 11.149 -9.542 4.158 1.00 0.48 C ATOM 585 C GLU A 56 10.511 -9.070 5.465 1.00 0.43 C ATOM 586 O GLU A 56 10.396 -9.835 6.425 1.00 0.46 O ATOM 587 CB GLU A 56 12.608 -9.078 4.072 1.00 0.60 C ATOM 588 CG GLU A 56 13.465 -9.459 5.273 1.00 0.83 C ATOM 589 CD GLU A 56 13.496 -10.951 5.532 1.00 1.81 C ATOM 590 OE1 GLU A 56 13.843 -11.717 4.608 1.00 2.38 O ATOM 591 OE2 GLU A 56 13.164 -11.367 6.661 1.00 2.66 O ATOM 0 H GLU A 56 10.925 -8.385 2.426 1.00 0.39 H new ATOM 0 HA GLU A 56 11.122 -10.632 4.147 1.00 0.48 H new ATOM 0 HB2 GLU A 56 13.057 -9.499 3.173 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.625 -7.994 3.959 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.483 -9.103 5.113 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.085 -8.950 6.159 1.00 0.83 H new ATOM 598 N ALA A 57 10.080 -7.815 5.485 1.00 0.39 N ATOM 599 CA ALA A 57 9.477 -7.222 6.672 1.00 0.39 C ATOM 600 C ALA A 57 8.233 -7.988 7.112 1.00 0.33 C ATOM 601 O ALA A 57 8.079 -8.319 8.290 1.00 0.39 O ATOM 602 CB ALA A 57 9.129 -5.764 6.406 1.00 0.42 C ATOM 0 H ALA A 57 10.138 -7.184 4.686 1.00 0.39 H new ATOM 0 HA ALA A 57 10.205 -7.278 7.481 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.679 -5.329 7.298 1.00 0.42 H new ATOM 0 HB2 ALA A 57 10.035 -5.214 6.152 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.423 -5.704 5.577 1.00 0.42 H new ATOM 608 N PHE A 58 7.356 -8.275 6.162 1.00 0.29 N ATOM 609 CA PHE A 58 6.105 -8.962 6.461 1.00 0.28 C ATOM 610 C PHE A 58 6.292 -10.475 6.477 1.00 0.30 C ATOM 611 O PHE A 58 5.460 -11.208 7.009 1.00 0.38 O ATOM 612 CB PHE A 58 5.030 -8.575 5.450 1.00 0.26 C ATOM 613 CG PHE A 58 4.521 -7.168 5.601 1.00 0.25 C ATOM 614 CD1 PHE A 58 5.325 -6.084 5.292 1.00 1.18 C ATOM 615 CD2 PHE A 58 3.231 -6.933 6.043 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.851 -4.794 5.420 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.752 -5.644 6.172 1.00 1.22 C ATOM 618 CZ PHE A 58 3.562 -4.574 5.861 1.00 0.28 C ATOM 0 H PHE A 58 7.486 -8.044 5.177 1.00 0.29 H new ATOM 0 HA PHE A 58 5.785 -8.652 7.456 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.431 -8.698 4.444 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.192 -9.265 5.545 1.00 0.26 H new ATOM 0 HD1 PHE A 58 6.335 -6.250 4.947 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.591 -7.767 6.290 1.00 1.24 H new ATOM 0 HE1 PHE A 58 5.489 -3.957 5.175 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.743 -5.475 6.517 1.00 1.22 H new ATOM 0 HZ PHE A 58 3.189 -3.565 5.962 1.00 0.28 H new ATOM 628 N GLY A 59 7.386 -10.937 5.886 1.00 0.34 N ATOM 629 CA GLY A 59 7.724 -12.345 5.934 1.00 0.39 C ATOM 630 C GLY A 59 7.063 -13.156 4.837 1.00 0.38 C ATOM 631 O GLY A 59 6.554 -14.248 5.090 1.00 0.43 O ATOM 0 H GLY A 59 8.049 -10.357 5.371 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.806 -12.455 5.857 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.431 -12.750 6.903 1.00 0.39 H new ATOM 635 N PHE A 60 7.070 -12.636 3.620 1.00 0.35 N ATOM 636 CA PHE A 60 6.510 -13.360 2.486 1.00 0.39 C ATOM 637 C PHE A 60 7.385 -13.168 1.255 1.00 0.40 C ATOM 638 O PHE A 60 8.176 -12.230 1.182 1.00 0.42 O ATOM 639 CB PHE A 60 5.068 -12.911 2.198 1.00 0.40 C ATOM 640 CG PHE A 60 4.939 -11.531 1.605 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.831 -10.418 2.419 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.913 -11.356 0.230 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.703 -9.154 1.872 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.784 -10.097 -0.321 1.00 1.20 C ATOM 645 CZ PHE A 60 4.679 -8.994 0.501 1.00 0.33 C ATOM 0 H PHE A 60 7.455 -11.720 3.391 1.00 0.35 H new ATOM 0 HA PHE A 60 6.486 -14.420 2.738 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.609 -13.628 1.517 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.500 -12.946 3.127 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.847 -10.537 3.492 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.995 -12.216 -0.418 1.00 1.22 H new ATOM 0 HE1 PHE A 60 4.622 -8.292 2.518 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.765 -9.976 -1.394 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.578 -8.008 0.073 1.00 0.33 H new ATOM 655 N GLU A 61 7.248 -14.072 0.299 1.00 0.48 N ATOM 656 CA GLU A 61 8.009 -14.003 -0.939 1.00 0.55 C ATOM 657 C GLU A 61 7.227 -13.251 -2.008 1.00 0.50 C ATOM 658 O GLU A 61 5.998 -13.310 -2.051 1.00 0.48 O ATOM 659 CB GLU A 61 8.342 -15.412 -1.429 1.00 0.70 C ATOM 660 CG GLU A 61 9.286 -16.167 -0.511 1.00 0.81 C ATOM 661 CD GLU A 61 10.606 -15.449 -0.327 1.00 1.48 C ATOM 662 OE1 GLU A 61 11.414 -15.431 -1.277 1.00 2.33 O ATOM 663 OE2 GLU A 61 10.843 -14.895 0.767 1.00 2.05 O ATOM 0 H GLU A 61 6.612 -14.868 0.357 1.00 0.48 H new ATOM 0 HA GLU A 61 8.936 -13.464 -0.745 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.417 -15.980 -1.532 1.00 0.70 H new ATOM 0 HB3 GLU A 61 8.788 -15.347 -2.421 1.00 0.70 H new ATOM 0 HG2 GLU A 61 8.811 -16.305 0.461 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.469 -17.161 -0.920 1.00 0.81 H new ATOM 670 N ARG A 62 7.958 -12.562 -2.879 1.00 0.54 N ATOM 671 CA ARG A 62 7.364 -11.754 -3.944 1.00 0.53 C ATOM 672 C ARG A 62 6.603 -12.617 -4.940 1.00 0.53 C ATOM 673 O ARG A 62 5.779 -12.118 -5.702 1.00 0.64 O ATOM 674 CB ARG A 62 8.451 -10.963 -4.674 1.00 0.63 C ATOM 675 CG ARG A 62 9.113 -9.897 -3.818 1.00 1.40 C ATOM 676 CD ARG A 62 10.291 -9.255 -4.532 1.00 1.46 C ATOM 677 NE ARG A 62 9.919 -8.705 -5.837 1.00 2.25 N ATOM 678 CZ ARG A 62 10.738 -7.985 -6.603 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.948 -7.658 -6.169 1.00 2.13 N ATOM 680 NH2 ARG A 62 10.333 -7.567 -7.795 1.00 3.67 N ATOM 0 H ARG A 62 8.978 -12.547 -2.868 1.00 0.54 H new ATOM 0 HA ARG A 62 6.658 -11.064 -3.482 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.214 -11.655 -5.030 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.014 -10.490 -5.554 1.00 0.63 H new ATOM 0 HG2 ARG A 62 8.382 -9.131 -3.561 1.00 1.40 H new ATOM 0 HG3 ARG A 62 9.452 -10.341 -2.882 1.00 1.40 H new ATOM 0 HD2 ARG A 62 10.701 -8.460 -3.909 1.00 1.46 H new ATOM 0 HD3 ARG A 62 11.080 -9.995 -4.664 1.00 1.46 H new ATOM 0 HE ARG A 62 8.975 -8.884 -6.181 1.00 2.25 H new ATOM 0 HH11 ARG A 62 12.256 -7.958 -5.244 1.00 2.13 H new ATOM 0 HH12 ARG A 62 12.570 -7.107 -6.760 1.00 2.13 H new ATOM 0 HH21 ARG A 62 9.395 -7.797 -8.125 1.00 3.67 H new ATOM 0 HH22 ARG A 62 10.959 -7.016 -8.382 1.00 3.67 H new ATOM 694 N GLU A 63 6.893 -13.909 -4.938 1.00 0.58 N ATOM 695 CA GLU A 63 6.206 -14.845 -5.815 1.00 0.64 C ATOM 696 C GLU A 63 5.062 -15.535 -5.079 1.00 0.63 C ATOM 697 O GLU A 63 4.328 -16.335 -5.658 1.00 0.75 O ATOM 698 CB GLU A 63 7.188 -15.886 -6.344 1.00 0.74 C ATOM 699 CG GLU A 63 8.338 -15.290 -7.137 1.00 1.70 C ATOM 700 CD GLU A 63 9.294 -16.346 -7.641 1.00 2.53 C ATOM 701 OE1 GLU A 63 10.219 -16.719 -6.892 1.00 3.20 O ATOM 702 OE2 GLU A 63 9.116 -16.815 -8.784 1.00 3.12 O ATOM 0 H GLU A 63 7.600 -14.334 -4.338 1.00 0.58 H new ATOM 0 HA GLU A 63 5.791 -14.287 -6.654 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.592 -16.452 -5.504 1.00 0.74 H new ATOM 0 HB3 GLU A 63 6.650 -16.593 -6.976 1.00 0.74 H new ATOM 0 HG2 GLU A 63 7.941 -14.729 -7.983 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.880 -14.581 -6.511 1.00 1.70 H new ATOM 709 N ALA A 64 4.911 -15.214 -3.800 1.00 0.55 N ATOM 710 CA ALA A 64 3.885 -15.832 -2.972 1.00 0.60 C ATOM 711 C ALA A 64 2.712 -14.885 -2.758 1.00 0.54 C ATOM 712 O ALA A 64 1.735 -15.229 -2.091 1.00 0.57 O ATOM 713 CB ALA A 64 4.471 -16.260 -1.636 1.00 0.67 C ATOM 0 H ALA A 64 5.488 -14.528 -3.314 1.00 0.55 H new ATOM 0 HA ALA A 64 3.516 -16.716 -3.493 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.692 -16.720 -1.028 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.273 -16.979 -1.804 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.869 -15.388 -1.117 1.00 0.67 H new ATOM 719 N VAL A 65 2.814 -13.694 -3.336 1.00 0.51 N ATOM 720 CA VAL A 65 1.764 -12.689 -3.218 1.00 0.47 C ATOM 721 C VAL A 65 0.449 -13.203 -3.808 1.00 0.53 C ATOM 722 O VAL A 65 -0.631 -12.935 -3.277 1.00 0.54 O ATOM 723 CB VAL A 65 2.181 -11.360 -3.899 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.648 -11.592 -5.324 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.045 -10.351 -3.883 1.00 0.50 C ATOM 0 H VAL A 65 3.616 -13.400 -3.893 1.00 0.51 H new ATOM 0 HA VAL A 65 1.612 -12.492 -2.157 1.00 0.47 H new ATOM 0 HB VAL A 65 3.013 -10.954 -3.324 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.933 -10.641 -5.773 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.507 -12.263 -5.321 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.840 -12.039 -5.903 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.369 -9.430 -4.368 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.188 -10.760 -4.417 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.762 -10.138 -2.852 1.00 0.50 H new ATOM 729 N SER A 66 0.553 -13.979 -4.878 1.00 0.63 N ATOM 730 CA SER A 66 -0.612 -14.556 -5.529 1.00 0.75 C ATOM 731 C SER A 66 -1.322 -15.540 -4.597 1.00 0.76 C ATOM 732 O SER A 66 -2.551 -15.625 -4.586 1.00 0.84 O ATOM 733 CB SER A 66 -0.177 -15.248 -6.818 1.00 0.89 C ATOM 734 OG SER A 66 1.021 -15.979 -6.611 1.00 1.63 O ATOM 0 H SER A 66 1.441 -14.224 -5.316 1.00 0.63 H new ATOM 0 HA SER A 66 -1.318 -13.762 -5.770 1.00 0.75 H new ATOM 0 HB2 SER A 66 -0.965 -15.919 -7.161 1.00 0.89 H new ATOM 0 HB3 SER A 66 -0.026 -14.506 -7.603 1.00 0.89 H new ATOM 0 HG SER A 66 1.285 -16.418 -7.447 1.00 1.63 H new ATOM 740 N GLY A 67 -0.538 -16.264 -3.805 1.00 0.73 N ATOM 741 CA GLY A 67 -1.102 -17.189 -2.842 1.00 0.75 C ATOM 742 C GLY A 67 -1.811 -16.467 -1.715 1.00 0.70 C ATOM 743 O GLY A 67 -2.857 -16.914 -1.243 1.00 0.76 O ATOM 0 H GLY A 67 0.481 -16.226 -3.814 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.804 -17.854 -3.345 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.309 -17.814 -2.431 1.00 0.75 H new ATOM 747 N ILE A 68 -1.244 -15.347 -1.285 1.00 0.63 N ATOM 748 CA ILE A 68 -1.854 -14.533 -0.240 1.00 0.59 C ATOM 749 C ILE A 68 -3.166 -13.932 -0.736 1.00 0.63 C ATOM 750 O ILE A 68 -4.168 -13.917 -0.020 1.00 0.71 O ATOM 751 CB ILE A 68 -0.911 -13.400 0.220 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.423 -13.979 0.698 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.562 -12.582 1.328 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.433 -12.927 1.106 1.00 0.45 C ATOM 0 H ILE A 68 -0.362 -14.981 -1.644 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.048 -15.185 0.612 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.721 -12.742 -0.628 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.239 -14.641 1.544 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.849 -14.590 -0.098 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.884 -11.788 1.640 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.489 -12.143 0.960 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.779 -13.229 2.178 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.352 -13.413 1.433 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.647 -12.279 0.256 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.027 -12.331 1.923 1.00 0.45 H new ATOM 761 N LEU A 69 -3.161 -13.477 -1.983 1.00 0.62 N ATOM 762 CA LEU A 69 -4.352 -12.902 -2.602 1.00 0.67 C ATOM 763 C LEU A 69 -5.376 -13.987 -2.931 1.00 0.85 C ATOM 764 O LEU A 69 -6.452 -13.707 -3.458 1.00 1.14 O ATOM 765 CB LEU A 69 -3.969 -12.135 -3.871 1.00 0.62 C ATOM 766 CG LEU A 69 -3.044 -10.936 -3.646 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.609 -10.337 -4.974 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.735 -9.886 -2.789 1.00 0.45 C ATOM 0 H LEU A 69 -2.341 -13.495 -2.590 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.805 -12.211 -1.891 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.484 -12.824 -4.562 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.881 -11.786 -4.356 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.155 -11.283 -3.120 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.952 -9.486 -4.792 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.076 -11.089 -5.555 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.487 -10.005 -5.529 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.064 -9.040 -2.638 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.641 -9.546 -3.291 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.996 -10.319 -1.823 1.00 0.45 H new ATOM 780 N GLY A 70 -5.024 -15.231 -2.639 1.00 0.81 N ATOM 781 CA GLY A 70 -5.952 -16.326 -2.810 1.00 0.94 C ATOM 782 C GLY A 70 -6.522 -16.790 -1.486 1.00 0.99 C ATOM 783 O GLY A 70 -7.373 -17.679 -1.441 1.00 1.25 O ATOM 0 H GLY A 70 -4.106 -15.501 -2.285 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.764 -16.015 -3.467 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.446 -17.158 -3.300 1.00 0.94 H new ATOM 787 N LYS A 71 -6.052 -16.181 -0.404 1.00 0.87 N ATOM 788 CA LYS A 71 -6.505 -16.532 0.937 1.00 0.98 C ATOM 789 C LYS A 71 -7.832 -15.846 1.245 1.00 0.99 C ATOM 790 O LYS A 71 -8.768 -16.465 1.757 1.00 1.26 O ATOM 791 CB LYS A 71 -5.449 -16.119 1.968 1.00 1.11 C ATOM 792 CG LYS A 71 -5.798 -16.495 3.402 1.00 1.69 C ATOM 793 CD LYS A 71 -5.722 -17.996 3.637 1.00 2.11 C ATOM 794 CE LYS A 71 -4.295 -18.517 3.522 1.00 2.60 C ATOM 795 NZ LYS A 71 -3.382 -17.866 4.500 1.00 3.16 N ATOM 0 H LYS A 71 -5.354 -15.438 -0.429 1.00 0.87 H new ATOM 0 HA LYS A 71 -6.651 -17.611 0.987 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.498 -16.582 1.704 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.305 -15.040 1.912 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.117 -15.987 4.085 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -6.803 -16.143 3.634 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -6.115 -18.229 4.627 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -6.355 -18.509 2.914 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -4.289 -19.595 3.683 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -3.926 -18.343 2.511 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -2.493 -18.403 4.556 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -3.180 -16.893 4.192 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -3.834 -17.846 5.437 1.00 3.16 H new ATOM 809 N SER A 72 -7.905 -14.569 0.914 1.00 0.92 N ATOM 810 CA SER A 72 -9.095 -13.774 1.163 1.00 1.08 C ATOM 811 C SER A 72 -9.568 -13.121 -0.132 1.00 1.04 C ATOM 812 O SER A 72 -9.309 -13.645 -1.217 1.00 1.21 O ATOM 813 CB SER A 72 -8.783 -12.720 2.229 1.00 1.30 C ATOM 814 OG SER A 72 -8.391 -13.338 3.442 1.00 2.02 O ATOM 0 H SER A 72 -7.145 -14.056 0.467 1.00 0.92 H new ATOM 0 HA SER A 72 -9.898 -14.415 1.528 1.00 1.08 H new ATOM 0 HB2 SER A 72 -7.988 -12.062 1.876 1.00 1.30 H new ATOM 0 HB3 SER A 72 -9.661 -12.096 2.399 1.00 1.30 H new ATOM 0 HG SER A 72 -7.527 -12.976 3.729 1.00 2.02 H new ATOM 820 N GLU A 73 -10.281 -12.004 -0.016 1.00 1.13 N ATOM 821 CA GLU A 73 -10.740 -11.256 -1.179 1.00 1.31 C ATOM 822 C GLU A 73 -9.568 -10.565 -1.873 1.00 1.26 C ATOM 823 O GLU A 73 -8.699 -11.226 -2.437 1.00 1.87 O ATOM 824 CB GLU A 73 -11.785 -10.218 -0.758 1.00 1.67 C ATOM 825 CG GLU A 73 -13.033 -10.825 -0.150 1.00 1.87 C ATOM 826 CD GLU A 73 -13.786 -11.688 -1.133 1.00 2.12 C ATOM 827 OE1 GLU A 73 -13.435 -12.871 -1.281 1.00 2.46 O ATOM 828 OE2 GLU A 73 -14.735 -11.185 -1.756 1.00 2.64 O ATOM 0 H GLU A 73 -10.554 -11.596 0.878 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.194 -11.956 -1.881 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.336 -9.534 -0.038 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.067 -9.625 -1.628 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -12.758 -11.423 0.719 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -13.686 -10.028 0.206 1.00 1.87 H new ATOM 835 N PHE A 74 -9.552 -9.232 -1.814 1.00 1.04 N ATOM 836 CA PHE A 74 -8.473 -8.434 -2.395 1.00 1.02 C ATOM 837 C PHE A 74 -8.234 -8.819 -3.853 1.00 1.08 C ATOM 838 O PHE A 74 -7.094 -8.917 -4.307 1.00 1.45 O ATOM 839 CB PHE A 74 -7.192 -8.612 -1.574 1.00 0.94 C ATOM 840 CG PHE A 74 -7.381 -8.311 -0.114 1.00 0.96 C ATOM 841 CD1 PHE A 74 -7.945 -7.112 0.290 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.002 -9.228 0.853 1.00 1.18 C ATOM 843 CE1 PHE A 74 -8.125 -6.832 1.629 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.181 -8.952 2.195 1.00 1.25 C ATOM 845 CZ PHE A 74 -7.743 -7.752 2.583 1.00 1.19 C ATOM 0 H PHE A 74 -10.282 -8.679 -1.365 1.00 1.04 H new ATOM 0 HA PHE A 74 -8.766 -7.384 -2.370 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.836 -9.636 -1.685 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -6.416 -7.960 -1.976 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -8.247 -6.388 -0.452 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.562 -10.168 0.555 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -8.565 -5.893 1.930 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.882 -9.674 2.940 1.00 1.25 H new ATOM 0 HZ PHE A 74 -7.883 -7.534 3.631 1.00 1.19 H new ATOM 901 N HIS A 78 -8.052 -3.572 -8.265 1.00 0.88 N ATOM 902 CA HIS A 78 -6.674 -3.300 -7.886 1.00 0.85 C ATOM 903 C HIS A 78 -6.659 -2.459 -6.622 1.00 0.69 C ATOM 904 O HIS A 78 -7.713 -2.011 -6.169 1.00 0.68 O ATOM 905 CB HIS A 78 -5.926 -2.552 -8.994 1.00 1.02 C ATOM 906 CG HIS A 78 -5.982 -3.210 -10.340 1.00 1.16 C ATOM 907 ND1 HIS A 78 -6.869 -2.823 -11.321 1.00 1.50 N ATOM 908 CD2 HIS A 78 -5.243 -4.211 -10.874 1.00 1.41 C ATOM 909 CE1 HIS A 78 -6.674 -3.559 -12.402 1.00 1.96 C ATOM 910 NE2 HIS A 78 -5.693 -4.405 -12.156 1.00 1.85 N ATOM 0 HA HIS A 78 -6.173 -4.253 -7.717 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.339 -1.547 -9.078 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -4.882 -2.444 -8.700 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -7.567 -2.085 -11.228 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -4.449 -4.754 -10.384 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -7.224 -3.481 -13.328 1.00 1.96 H new ATOM 919 N LEU A 79 -5.477 -2.225 -6.068 1.00 0.60 N ATOM 920 CA LEU A 79 -5.353 -1.441 -4.843 1.00 0.46 C ATOM 921 C LEU A 79 -6.028 -0.080 -5.004 1.00 0.44 C ATOM 922 O LEU A 79 -6.825 0.330 -4.166 1.00 0.42 O ATOM 923 CB LEU A 79 -3.879 -1.259 -4.471 1.00 0.44 C ATOM 924 CG LEU A 79 -3.626 -0.540 -3.141 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.132 -1.371 -1.973 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.148 -0.237 -2.971 1.00 0.41 C ATOM 0 H LEU A 79 -4.592 -2.565 -6.445 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.852 -1.982 -4.039 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.407 -2.241 -4.431 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.386 -0.701 -5.267 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.175 0.402 -3.156 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -3.942 -0.841 -1.040 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.203 -1.539 -2.083 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.614 -2.330 -1.958 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.988 0.273 -2.021 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.582 -1.168 -2.982 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.811 0.402 -3.787 1.00 0.41 H new ATOM 938 N ALA A 80 -5.734 0.596 -6.108 1.00 0.50 N ATOM 939 CA ALA A 80 -6.280 1.923 -6.364 1.00 0.54 C ATOM 940 C ALA A 80 -7.799 1.891 -6.498 1.00 0.58 C ATOM 941 O ALA A 80 -8.494 2.740 -5.941 1.00 0.61 O ATOM 942 CB ALA A 80 -5.659 2.506 -7.615 1.00 0.63 C ATOM 0 H ALA A 80 -5.119 0.246 -6.842 1.00 0.50 H new ATOM 0 HA ALA A 80 -6.036 2.555 -5.510 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -6.073 3.498 -7.799 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.580 2.582 -7.484 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.877 1.859 -8.465 1.00 0.63 H new ATOM 948 N ASP A 81 -8.306 0.903 -7.233 1.00 0.64 N ATOM 949 CA ASP A 81 -9.748 0.741 -7.415 1.00 0.70 C ATOM 950 C ASP A 81 -10.424 0.562 -6.065 1.00 0.60 C ATOM 951 O ASP A 81 -11.481 1.134 -5.797 1.00 0.67 O ATOM 952 CB ASP A 81 -10.056 -0.471 -8.305 1.00 0.78 C ATOM 953 CG ASP A 81 -9.504 -0.338 -9.709 1.00 1.52 C ATOM 954 OD1 ASP A 81 -10.134 0.346 -10.545 1.00 2.06 O ATOM 955 OD2 ASP A 81 -8.439 -0.924 -9.993 1.00 2.30 O ATOM 0 H ASP A 81 -7.740 0.203 -7.712 1.00 0.64 H new ATOM 0 HA ASP A 81 -10.132 1.638 -7.902 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.642 -1.367 -7.843 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -11.136 -0.609 -8.358 1.00 0.78 H new ATOM 960 N ILE A 82 -9.787 -0.232 -5.218 1.00 0.50 N ATOM 961 CA ILE A 82 -10.261 -0.483 -3.864 1.00 0.45 C ATOM 962 C ILE A 82 -10.263 0.797 -3.026 1.00 0.48 C ATOM 963 O ILE A 82 -11.259 1.131 -2.387 1.00 0.61 O ATOM 964 CB ILE A 82 -9.379 -1.552 -3.182 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.682 -2.936 -3.759 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.563 -1.539 -1.673 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.794 -4.032 -3.210 1.00 0.61 C ATOM 0 H ILE A 82 -8.923 -0.723 -5.450 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.286 -0.846 -3.932 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.335 -1.313 -3.386 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.723 -3.186 -3.552 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.572 -2.900 -4.843 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -8.929 -2.303 -1.223 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.286 -0.560 -1.281 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.606 -1.745 -1.432 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.068 -4.984 -3.665 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.753 -3.806 -3.440 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.921 -4.096 -2.129 1.00 0.61 H new ATOM 974 N LEU A 83 -9.146 1.508 -3.051 1.00 0.44 N ATOM 975 CA LEU A 83 -8.971 2.711 -2.243 1.00 0.52 C ATOM 976 C LEU A 83 -9.960 3.810 -2.626 1.00 0.69 C ATOM 977 O LEU A 83 -10.507 4.493 -1.758 1.00 0.83 O ATOM 978 CB LEU A 83 -7.534 3.226 -2.378 1.00 0.47 C ATOM 979 CG LEU A 83 -6.545 2.717 -1.325 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.512 1.200 -1.291 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.156 3.270 -1.604 1.00 0.42 C ATOM 0 H LEU A 83 -8.338 1.272 -3.627 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.169 2.442 -1.205 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.160 2.951 -3.364 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.552 4.315 -2.336 1.00 0.47 H new ATOM 0 HG LEU A 83 -6.878 3.067 -0.348 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -5.801 0.868 -0.534 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.504 0.820 -1.048 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.207 0.821 -2.266 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.460 2.903 -0.850 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.827 2.945 -2.591 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.185 4.359 -1.571 1.00 0.42 H new ATOM 993 N ASN A 84 -10.189 3.977 -3.919 1.00 0.74 N ATOM 994 CA ASN A 84 -11.057 5.046 -4.405 1.00 0.94 C ATOM 995 C ASN A 84 -12.520 4.776 -4.065 1.00 0.97 C ATOM 996 O ASN A 84 -13.230 5.661 -3.589 1.00 1.15 O ATOM 997 CB ASN A 84 -10.898 5.209 -5.918 1.00 1.04 C ATOM 998 CG ASN A 84 -11.689 6.383 -6.471 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.909 7.385 -5.786 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -12.116 6.266 -7.718 1.00 1.79 N ATOM 0 H ASN A 84 -9.789 3.390 -4.651 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.758 5.968 -3.907 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.843 5.344 -6.155 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -11.221 4.293 -6.413 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -12.649 7.022 -8.148 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -11.912 5.420 -8.250 1.00 1.79 H new ATOM 1007 N SER A 85 -12.953 3.542 -4.276 1.00 0.87 N ATOM 1008 CA SER A 85 -14.359 3.170 -4.126 1.00 0.93 C ATOM 1009 C SER A 85 -14.807 3.150 -2.662 1.00 0.91 C ATOM 1010 O SER A 85 -15.989 2.949 -2.377 1.00 1.01 O ATOM 1011 CB SER A 85 -14.615 1.809 -4.778 1.00 0.98 C ATOM 1012 OG SER A 85 -13.693 0.836 -4.316 1.00 1.50 O ATOM 0 H SER A 85 -12.346 2.771 -4.555 1.00 0.87 H new ATOM 0 HA SER A 85 -14.951 3.934 -4.630 1.00 0.93 H new ATOM 0 HB2 SER A 85 -15.632 1.483 -4.558 1.00 0.98 H new ATOM 0 HB3 SER A 85 -14.537 1.902 -5.861 1.00 0.98 H new ATOM 0 HG SER A 85 -12.921 0.805 -4.919 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.862 3.332 -1.745 1.00 0.88 N ATOM 1019 CA ALA A 86 -14.126 3.201 -0.313 1.00 0.95 C ATOM 1020 C ALA A 86 -14.947 4.363 0.260 1.00 1.14 C ATOM 1021 O ALA A 86 -14.474 5.096 1.131 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.813 3.064 0.440 1.00 1.09 C ATOM 0 H ALA A 86 -12.897 3.573 -1.970 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.730 2.303 -0.182 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -13.014 2.967 1.507 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.283 2.179 0.088 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -12.200 3.948 0.266 1.00 1.09 H new ATOM 1162 N ALA B 17 -7.718 8.360 -7.737 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.734 7.414 -7.245 1.00 0.81 C ATOM 1164 C ALA B 17 -5.417 7.587 -7.985 1.00 0.69 C ATOM 1165 O ALA B 17 -5.001 6.723 -8.759 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.246 5.989 -7.387 1.00 1.09 C ATOM 0 HA ALA B 17 -6.563 7.611 -6.187 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.495 5.293 -7.013 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.165 5.874 -6.813 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.446 5.777 -8.437 1.00 1.09 H new ATOM 1172 N SER B 18 -4.775 8.721 -7.763 1.00 0.64 N ATOM 1173 CA SER B 18 -3.491 8.999 -8.381 1.00 0.61 C ATOM 1174 C SER B 18 -2.389 8.278 -7.613 1.00 0.50 C ATOM 1175 O SER B 18 -2.542 8.039 -6.414 1.00 0.45 O ATOM 1176 CB SER B 18 -3.230 10.504 -8.392 1.00 0.67 C ATOM 1177 OG SER B 18 -4.421 11.213 -8.685 1.00 1.33 O ATOM 0 H SER B 18 -5.123 9.465 -7.158 1.00 0.64 H new ATOM 0 HA SER B 18 -3.501 8.641 -9.410 1.00 0.61 H new ATOM 0 HB2 SER B 18 -2.842 10.819 -7.423 1.00 0.67 H new ATOM 0 HB3 SER B 18 -2.467 10.741 -9.133 1.00 0.67 H new ATOM 0 HG SER B 18 -4.960 11.298 -7.871 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.299 7.920 -8.281 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.248 7.135 -7.639 1.00 0.43 C ATOM 1185 C LYS B 19 0.227 7.781 -6.332 1.00 0.35 C ATOM 1186 O LYS B 19 0.385 7.094 -5.319 1.00 0.28 O ATOM 1187 CB LYS B 19 0.927 6.889 -8.599 1.00 0.54 C ATOM 1188 CG LYS B 19 1.449 8.129 -9.306 1.00 0.85 C ATOM 1189 CD LYS B 19 2.675 7.803 -10.148 1.00 1.13 C ATOM 1190 CE LYS B 19 3.080 8.968 -11.038 1.00 1.74 C ATOM 1191 NZ LYS B 19 2.090 9.216 -12.120 1.00 2.10 N ATOM 0 H LYS B 19 -1.119 8.157 -9.257 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.678 6.167 -7.382 1.00 0.43 H new ATOM 0 HB2 LYS B 19 1.746 6.437 -8.039 1.00 0.54 H new ATOM 0 HB3 LYS B 19 0.616 6.164 -9.351 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.667 8.545 -9.942 1.00 0.85 H new ATOM 0 HG3 LYS B 19 1.702 8.892 -8.570 1.00 0.85 H new ATOM 0 HD2 LYS B 19 3.506 7.541 -9.493 1.00 1.13 H new ATOM 0 HD3 LYS B 19 2.469 6.929 -10.766 1.00 1.13 H new ATOM 0 HE2 LYS B 19 3.186 9.867 -10.431 1.00 1.74 H new ATOM 0 HE3 LYS B 19 4.056 8.764 -11.480 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 2.576 9.610 -12.951 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 1.629 8.321 -12.380 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 1.373 9.891 -11.786 1.00 2.10 H new ATOM 1205 N GLU B 20 0.403 9.100 -6.348 1.00 0.41 N ATOM 1206 CA GLU B 20 0.838 9.842 -5.163 1.00 0.42 C ATOM 1207 C GLU B 20 -0.144 9.674 -3.998 1.00 0.34 C ATOM 1208 O GLU B 20 0.266 9.528 -2.847 1.00 0.30 O ATOM 1209 CB GLU B 20 1.000 11.328 -5.508 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.260 11.961 -6.083 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.051 13.394 -6.524 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.501 13.606 -7.624 1.00 1.58 O ATOM 1213 OE2 GLU B 20 -0.446 14.315 -5.781 1.00 1.49 O ATOM 0 H GLU B 20 0.251 9.681 -7.172 1.00 0.41 H new ATOM 0 HA GLU B 20 1.798 9.435 -4.847 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.292 11.871 -4.609 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.813 11.439 -6.226 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.602 11.371 -6.933 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.051 11.928 -5.334 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.434 9.671 -4.313 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.486 9.570 -3.306 1.00 0.39 C ATOM 1222 C GLU B 21 -2.508 8.173 -2.698 1.00 0.32 C ATOM 1223 O GLU B 21 -2.719 7.992 -1.497 1.00 0.33 O ATOM 1224 CB GLU B 21 -3.840 9.882 -3.944 1.00 0.50 C ATOM 1225 CG GLU B 21 -3.875 11.219 -4.668 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.222 11.520 -5.297 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -5.580 10.868 -6.303 1.00 1.49 O ATOM 1228 OE2 GLU B 21 -5.913 12.433 -4.809 1.00 1.54 O ATOM 0 H GLU B 21 -1.780 9.738 -5.270 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.285 10.291 -2.513 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.092 9.089 -4.649 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.607 9.877 -3.170 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -3.624 12.013 -3.965 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.109 11.226 -5.443 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.279 7.190 -3.549 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.243 5.800 -3.135 1.00 0.29 C ATOM 1237 C ILE B 22 -1.032 5.537 -2.253 1.00 0.24 C ATOM 1238 O ILE B 22 -1.149 4.937 -1.183 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.202 4.881 -4.366 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.450 5.119 -5.215 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.097 3.419 -3.950 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.310 4.645 -6.640 1.00 0.44 C ATOM 0 H ILE B 22 -2.113 7.333 -4.545 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.146 5.588 -2.562 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.318 5.116 -4.958 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.296 4.610 -4.753 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.681 6.184 -5.216 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.070 2.789 -4.839 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.185 3.270 -3.371 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.961 3.151 -3.342 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.234 4.846 -7.183 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.485 5.172 -7.119 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.110 3.574 -6.649 1.00 0.44 H new ATOM 1249 N ALA B 23 0.126 6.011 -2.702 1.00 0.20 N ATOM 1250 CA ALA B 23 1.362 5.859 -1.947 1.00 0.19 C ATOM 1251 C ALA B 23 1.242 6.518 -0.583 1.00 0.20 C ATOM 1252 O ALA B 23 1.855 6.072 0.385 1.00 0.20 O ATOM 1253 CB ALA B 23 2.532 6.445 -2.715 1.00 0.20 C ATOM 0 H ALA B 23 0.233 6.505 -3.588 1.00 0.20 H new ATOM 0 HA ALA B 23 1.542 4.794 -1.801 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.446 6.322 -2.135 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.636 5.929 -3.670 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.356 7.506 -2.893 1.00 0.20 H new ATOM 1259 N ALA B 24 0.441 7.577 -0.520 1.00 0.22 N ATOM 1260 CA ALA B 24 0.180 8.275 0.728 1.00 0.25 C ATOM 1261 C ALA B 24 -0.365 7.317 1.781 1.00 0.23 C ATOM 1262 O ALA B 24 0.156 7.246 2.891 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.791 9.419 0.492 1.00 0.31 C ATOM 0 H ALA B 24 -0.041 7.971 -1.328 1.00 0.22 H new ATOM 0 HA ALA B 24 1.120 8.684 1.100 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.980 9.936 1.433 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.362 10.118 -0.226 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.729 9.025 0.099 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.399 6.562 1.425 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.962 5.577 2.344 1.00 0.23 C ATOM 1271 C LEU B 25 -0.990 4.430 2.579 1.00 0.22 C ATOM 1272 O LEU B 25 -0.915 3.889 3.682 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.285 5.021 1.822 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.495 5.945 1.956 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.739 5.255 1.426 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.695 6.358 3.408 1.00 0.43 C ATOM 0 H LEU B 25 -1.861 6.611 0.517 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.145 6.089 3.288 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.160 4.767 0.769 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.501 4.092 2.350 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.314 6.844 1.367 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.595 5.922 1.526 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.596 5.003 0.375 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.920 4.344 1.996 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.561 7.016 3.483 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -4.859 5.471 4.019 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.808 6.884 3.762 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.251 4.062 1.541 1.00 0.20 N ATOM 1289 CA ILE B 26 0.716 2.977 1.635 1.00 0.21 C ATOM 1290 C ILE B 26 1.781 3.280 2.690 1.00 0.20 C ATOM 1291 O ILE B 26 1.991 2.490 3.614 1.00 0.22 O ATOM 1292 CB ILE B 26 1.392 2.705 0.271 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.352 2.244 -0.758 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.492 1.665 0.421 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.927 1.973 -2.132 1.00 0.27 C ATOM 0 H ILE B 26 -0.303 4.501 0.622 1.00 0.20 H new ATOM 0 HA ILE B 26 0.169 2.083 1.934 1.00 0.21 H new ATOM 0 HB ILE B 26 1.842 3.632 -0.084 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.130 1.338 -0.392 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.423 3.006 -0.843 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.957 1.485 -0.548 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.243 2.028 1.122 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.065 0.735 0.796 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.130 1.652 -2.803 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.384 2.883 -2.521 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.681 1.189 -2.063 1.00 0.27 H new ATOM 1302 N VAL B 27 2.430 4.434 2.568 1.00 0.18 N ATOM 1303 CA VAL B 27 3.469 4.819 3.517 1.00 0.20 C ATOM 1304 C VAL B 27 2.869 5.127 4.886 1.00 0.22 C ATOM 1305 O VAL B 27 3.512 4.917 5.917 1.00 0.23 O ATOM 1306 CB VAL B 27 4.300 6.030 3.026 1.00 0.21 C ATOM 1307 CG1 VAL B 27 5.002 5.700 1.718 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.435 7.274 2.871 1.00 0.21 C ATOM 0 H VAL B 27 2.257 5.114 1.828 1.00 0.18 H new ATOM 0 HA VAL B 27 4.143 3.966 3.601 1.00 0.20 H new ATOM 0 HB VAL B 27 5.055 6.244 3.783 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.581 6.563 1.388 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.669 4.851 1.867 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.260 5.450 0.960 1.00 0.21 H new ATOM 0 HG21 VAL B 27 4.051 8.104 2.525 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.646 7.080 2.145 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.989 7.529 3.832 1.00 0.21 H new ATOM 1312 N ASN B 28 1.629 5.608 4.891 1.00 0.25 N ATOM 1313 CA ASN B 28 0.918 5.880 6.136 1.00 0.32 C ATOM 1314 C ASN B 28 0.703 4.587 6.907 1.00 0.27 C ATOM 1315 O ASN B 28 0.929 4.532 8.115 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.429 6.555 5.860 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.206 6.858 7.129 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -1.993 6.038 7.601 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -0.994 8.042 7.686 1.00 0.86 N ATOM 0 H ASN B 28 1.096 5.817 4.047 1.00 0.25 H new ATOM 0 HA ASN B 28 1.525 6.558 6.735 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.260 7.482 5.313 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.029 5.910 5.217 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -1.492 8.302 8.538 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -0.333 8.694 7.263 1.00 0.86 H new ATOM 1326 N TYR B 29 0.292 3.541 6.198 1.00 0.25 N ATOM 1327 CA TYR B 29 0.061 2.246 6.817 1.00 0.24 C ATOM 1328 C TYR B 29 1.343 1.706 7.440 1.00 0.18 C ATOM 1329 O TYR B 29 1.346 1.290 8.596 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.490 1.241 5.805 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.655 -0.145 6.387 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.526 -0.370 7.442 1.00 1.23 C ATOM 1333 CD2 TYR B 29 0.080 -1.218 5.900 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.663 -1.626 7.998 1.00 1.25 C ATOM 1335 CE2 TYR B 29 -0.049 -2.477 6.453 1.00 1.22 C ATOM 1336 CZ TYR B 29 -0.923 -2.675 7.500 1.00 0.42 C ATOM 1337 OH TYR B 29 -1.052 -3.926 8.060 1.00 0.49 O ATOM 0 H TYR B 29 0.113 3.567 5.194 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.680 2.386 7.604 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.454 1.593 5.438 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.180 1.192 4.946 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.107 0.451 7.835 1.00 1.23 H new ATOM 0 HD2 TYR B 29 0.762 -1.066 5.077 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -2.347 -1.785 8.819 1.00 1.25 H new ATOM 0 HE2 TYR B 29 0.532 -3.302 6.067 1.00 1.22 H new ATOM 0 HH TYR B 29 -1.857 -3.953 8.618 1.00 0.49 H new ATOM 1347 N PHE B 30 2.432 1.724 6.677 1.00 0.16 N ATOM 1348 CA PHE B 30 3.719 1.256 7.181 1.00 0.16 C ATOM 1349 C PHE B 30 4.125 2.036 8.426 1.00 0.18 C ATOM 1350 O PHE B 30 4.576 1.458 9.416 1.00 0.21 O ATOM 1351 CB PHE B 30 4.810 1.396 6.121 1.00 0.19 C ATOM 1352 CG PHE B 30 4.667 0.475 4.940 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.358 -0.863 5.116 1.00 1.20 C ATOM 1354 CD2 PHE B 30 4.857 0.950 3.654 1.00 1.17 C ATOM 1355 CE1 PHE B 30 4.238 -1.708 4.030 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.743 0.109 2.565 1.00 1.16 C ATOM 1357 CZ PHE B 30 4.433 -1.222 2.754 1.00 0.25 C ATOM 0 H PHE B 30 2.449 2.056 5.713 1.00 0.16 H new ATOM 0 HA PHE B 30 3.607 0.202 7.435 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.818 2.425 5.762 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.777 1.215 6.590 1.00 0.19 H new ATOM 0 HD1 PHE B 30 4.209 -1.250 6.113 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.097 1.992 3.500 1.00 1.17 H new ATOM 0 HE1 PHE B 30 3.992 -2.749 4.180 1.00 1.22 H new ATOM 0 HE2 PHE B 30 4.896 0.492 1.567 1.00 1.16 H new ATOM 0 HZ PHE B 30 4.343 -1.882 1.904 1.00 0.25 H new ATOM 1367 N SER B 31 3.942 3.348 8.372 1.00 0.21 N ATOM 1368 CA SER B 31 4.270 4.213 9.496 1.00 0.26 C ATOM 1369 C SER B 31 3.343 3.932 10.681 1.00 0.25 C ATOM 1370 O SER B 31 3.728 4.101 11.835 1.00 0.27 O ATOM 1371 CB SER B 31 4.178 5.681 9.071 1.00 0.35 C ATOM 1372 OG SER B 31 5.022 5.942 7.957 1.00 1.15 O ATOM 0 H SER B 31 3.567 3.837 7.559 1.00 0.21 H new ATOM 0 HA SER B 31 5.292 4.005 9.812 1.00 0.26 H new ATOM 0 HB2 SER B 31 3.147 5.926 8.816 1.00 0.35 H new ATOM 0 HB3 SER B 31 4.461 6.323 9.905 1.00 0.35 H new ATOM 0 HG SER B 31 4.548 5.719 7.128 1.00 1.15 H new ATOM 1378 N SER B 32 2.130 3.481 10.388 1.00 0.27 N ATOM 1379 CA SER B 32 1.170 3.133 11.424 1.00 0.30 C ATOM 1380 C SER B 32 1.563 1.816 12.098 1.00 0.28 C ATOM 1381 O SER B 32 1.332 1.624 13.296 1.00 0.36 O ATOM 1382 CB SER B 32 -0.238 3.027 10.827 1.00 0.40 C ATOM 1383 OG SER B 32 -1.216 2.825 11.834 1.00 0.99 O ATOM 0 H SER B 32 1.788 3.348 9.436 1.00 0.27 H new ATOM 0 HA SER B 32 1.172 3.920 12.178 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.468 3.936 10.272 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.271 2.202 10.115 1.00 0.40 H new ATOM 0 HG SER B 32 -2.103 2.763 11.421 1.00 0.99 H new ATOM 1389 N ILE B 33 2.165 0.913 11.327 1.00 0.24 N ATOM 1390 CA ILE B 33 2.615 -0.366 11.864 1.00 0.27 C ATOM 1391 C ILE B 33 3.724 -0.152 12.884 1.00 0.26 C ATOM 1392 O ILE B 33 3.730 -0.768 13.949 1.00 0.32 O ATOM 1393 CB ILE B 33 3.139 -1.315 10.766 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.118 -1.483 9.644 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.474 -2.672 11.365 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.622 -2.347 8.510 1.00 0.34 C ATOM 0 H ILE B 33 2.351 1.044 10.333 1.00 0.24 H new ATOM 0 HA ILE B 33 1.746 -0.827 12.333 1.00 0.27 H new ATOM 0 HB ILE B 33 4.040 -0.872 10.342 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.208 -1.923 10.052 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.850 -0.501 9.254 1.00 0.30 H new ATOM 0 HG21 ILE B 33 3.843 -3.334 10.582 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.241 -2.553 12.130 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.579 -3.103 11.813 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.851 -2.428 7.744 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.516 -1.896 8.079 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.863 -3.340 8.889 1.00 0.34 H new ATOM 1403 N VAL B 34 4.661 0.730 12.555 1.00 0.25 N ATOM 1404 CA VAL B 34 5.774 1.021 13.449 1.00 0.31 C ATOM 1405 C VAL B 34 5.345 1.984 14.554 1.00 0.37 C ATOM 1406 O VAL B 34 5.991 2.070 15.596 1.00 0.47 O ATOM 1407 CB VAL B 34 6.991 1.598 12.691 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.476 0.618 11.635 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.663 2.942 12.061 1.00 0.33 C ATOM 0 H VAL B 34 4.672 1.254 11.680 1.00 0.25 H new ATOM 0 HA VAL B 34 6.077 0.075 13.897 1.00 0.31 H new ATOM 0 HB VAL B 34 7.791 1.755 13.414 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.333 1.042 11.112 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.768 -0.317 12.113 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.675 0.425 10.922 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.539 3.321 11.535 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.841 2.822 11.356 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.373 3.648 12.840 1.00 0.33 H new ATOM 1413 N GLU B 35 4.246 2.695 14.318 1.00 0.35 N ATOM 1414 CA GLU B 35 3.678 3.592 15.318 1.00 0.46 C ATOM 1415 C GLU B 35 3.219 2.794 16.534 1.00 0.51 C ATOM 1416 O GLU B 35 3.490 3.163 17.676 1.00 0.62 O ATOM 1417 CB GLU B 35 2.498 4.367 14.722 1.00 0.51 C ATOM 1418 CG GLU B 35 1.950 5.457 15.628 1.00 0.70 C ATOM 1419 CD GLU B 35 2.930 6.595 15.826 1.00 1.49 C ATOM 1420 OE1 GLU B 35 3.771 6.513 16.745 1.00 2.22 O ATOM 1421 OE2 GLU B 35 2.866 7.577 15.057 1.00 2.19 O ATOM 0 H GLU B 35 3.730 2.666 13.439 1.00 0.35 H new ATOM 0 HA GLU B 35 4.444 4.303 15.629 1.00 0.46 H new ATOM 0 HB2 GLU B 35 2.811 4.816 13.780 1.00 0.51 H new ATOM 0 HB3 GLU B 35 1.697 3.666 14.490 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.026 5.848 15.202 1.00 0.70 H new ATOM 0 HG3 GLU B 35 1.698 5.027 16.597 1.00 0.70 H new ATOM 1428 N LYS B 36 2.527 1.691 16.277 1.00 0.47 N ATOM 1429 CA LYS B 36 2.061 0.813 17.344 1.00 0.55 C ATOM 1430 C LYS B 36 3.072 -0.301 17.609 1.00 0.51 C ATOM 1431 O LYS B 36 2.960 -1.053 18.577 1.00 0.61 O ATOM 1432 CB LYS B 36 0.694 0.215 16.991 1.00 0.67 C ATOM 1433 CG LYS B 36 0.686 -0.566 15.684 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.683 -1.165 15.391 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.730 -0.098 15.098 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.394 0.705 13.891 1.00 2.08 N ATOM 0 H LYS B 36 2.276 1.383 15.338 1.00 0.47 H new ATOM 0 HA LYS B 36 1.958 1.408 18.251 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.376 -0.443 17.799 1.00 0.67 H new ATOM 0 HB3 LYS B 36 -0.039 1.019 16.928 1.00 0.67 H new ATOM 0 HG2 LYS B 36 0.977 0.092 14.866 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.428 -1.363 15.732 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.607 -1.840 14.539 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.005 -1.763 16.243 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -2.701 -0.573 14.957 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -1.822 0.564 15.959 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.188 1.336 13.662 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -0.543 1.273 14.078 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -1.216 0.068 13.089 1.00 2.08 H new ATOM 1450 N LYS B 37 4.058 -0.378 16.716 1.00 0.48 N ATOM 1451 CA LYS B 37 5.132 -1.369 16.771 1.00 0.55 C ATOM 1452 C LYS B 37 4.571 -2.793 16.769 1.00 0.59 C ATOM 1453 O LYS B 37 4.826 -3.580 17.682 1.00 0.76 O ATOM 1454 CB LYS B 37 6.031 -1.133 17.991 1.00 0.72 C ATOM 1455 CG LYS B 37 7.394 -1.796 17.872 1.00 1.19 C ATOM 1456 CD LYS B 37 8.292 -1.464 19.052 1.00 1.42 C ATOM 1457 CE LYS B 37 9.688 -2.025 18.851 1.00 1.99 C ATOM 1458 NZ LYS B 37 10.586 -1.736 19.999 1.00 2.60 N ATOM 0 H LYS B 37 4.134 0.257 15.921 1.00 0.48 H new ATOM 0 HA LYS B 37 5.742 -1.252 15.875 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.167 -0.061 18.131 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.528 -1.509 18.882 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.267 -2.877 17.805 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.875 -1.474 16.948 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.346 -0.383 19.179 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.861 -1.871 19.967 1.00 1.42 H new ATOM 0 HE2 LYS B 37 9.626 -3.103 18.705 1.00 1.99 H new ATOM 0 HE3 LYS B 37 10.118 -1.604 17.942 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 11.570 -1.938 19.730 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 10.499 -0.734 20.264 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 10.319 -2.333 20.808 1.00 2.60 H new ATOM 1472 N GLU B 38 3.819 -3.119 15.725 1.00 0.54 N ATOM 1473 CA GLU B 38 3.218 -4.442 15.595 1.00 0.69 C ATOM 1474 C GLU B 38 4.188 -5.353 14.854 1.00 0.69 C ATOM 1475 O GLU B 38 4.247 -6.560 15.088 1.00 1.03 O ATOM 1476 CB GLU B 38 1.882 -4.330 14.839 1.00 0.79 C ATOM 1477 CG GLU B 38 0.917 -5.497 15.050 1.00 1.35 C ATOM 1478 CD GLU B 38 1.222 -6.714 14.194 1.00 1.41 C ATOM 1479 OE1 GLU B 38 0.926 -6.687 12.980 1.00 2.11 O ATOM 1480 OE2 GLU B 38 1.728 -7.718 14.737 1.00 1.86 O ATOM 0 H GLU B 38 3.610 -2.484 14.954 1.00 0.54 H new ATOM 0 HA GLU B 38 3.018 -4.865 16.580 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.386 -3.409 15.144 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.092 -4.241 13.773 1.00 0.79 H new ATOM 0 HG2 GLU B 38 0.940 -5.789 16.100 1.00 1.35 H new ATOM 0 HG3 GLU B 38 -0.097 -5.160 14.836 1.00 1.35 H new ATOM 1487 N ILE B 39 4.977 -4.744 13.987 1.00 0.42 N ATOM 1488 CA ILE B 39 5.925 -5.480 13.166 1.00 0.43 C ATOM 1489 C ILE B 39 7.252 -5.656 13.902 1.00 0.48 C ATOM 1490 O ILE B 39 7.576 -4.886 14.811 1.00 0.52 O ATOM 1491 CB ILE B 39 6.159 -4.759 11.816 1.00 0.38 C ATOM 1492 CG1 ILE B 39 6.875 -5.682 10.825 1.00 0.46 C ATOM 1493 CG2 ILE B 39 6.954 -3.470 12.021 1.00 0.36 C ATOM 1494 CD1 ILE B 39 6.979 -5.108 9.429 1.00 0.47 C ATOM 0 H ILE B 39 4.980 -3.736 13.832 1.00 0.42 H new ATOM 0 HA ILE B 39 5.502 -6.464 12.966 1.00 0.43 H new ATOM 0 HB ILE B 39 5.187 -4.498 11.398 1.00 0.38 H new ATOM 0 HG12 ILE B 39 7.877 -5.893 11.197 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.345 -6.633 10.779 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.107 -2.980 11.059 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.402 -2.804 12.684 1.00 0.36 H new ATOM 0 HG23 ILE B 39 7.921 -3.706 12.466 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.497 -5.816 8.782 1.00 0.47 H new ATOM 0 HD12 ILE B 39 5.979 -4.923 9.036 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.536 -4.171 9.461 1.00 0.47 H new ATOM 1501 N SER B 40 7.995 -6.686 13.517 1.00 0.55 N ATOM 1502 CA SER B 40 9.311 -6.951 14.074 1.00 0.62 C ATOM 1503 C SER B 40 10.257 -5.792 13.765 1.00 0.53 C ATOM 1504 O SER B 40 10.158 -5.159 12.713 1.00 0.48 O ATOM 1505 CB SER B 40 9.855 -8.244 13.474 1.00 0.77 C ATOM 1506 OG SER B 40 8.870 -9.265 13.491 1.00 1.82 O ATOM 0 H SER B 40 7.700 -7.360 12.810 1.00 0.55 H new ATOM 0 HA SER B 40 9.233 -7.054 15.156 1.00 0.62 H new ATOM 0 HB2 SER B 40 10.181 -8.065 12.449 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.731 -8.569 14.035 1.00 0.77 H new ATOM 0 HG SER B 40 9.241 -10.084 13.100 1.00 1.82 H new ATOM 1512 N GLU B 41 11.176 -5.529 14.692 1.00 0.59 N ATOM 1513 CA GLU B 41 12.088 -4.393 14.586 1.00 0.60 C ATOM 1514 C GLU B 41 12.991 -4.516 13.362 1.00 0.49 C ATOM 1515 O GLU B 41 13.443 -3.510 12.815 1.00 0.46 O ATOM 1516 CB GLU B 41 12.932 -4.271 15.855 1.00 0.78 C ATOM 1517 CG GLU B 41 12.100 -4.157 17.122 1.00 1.08 C ATOM 1518 CD GLU B 41 12.933 -3.848 18.347 1.00 1.44 C ATOM 1519 OE1 GLU B 41 13.666 -4.743 18.818 1.00 1.99 O ATOM 1520 OE2 GLU B 41 12.863 -2.704 18.843 1.00 2.19 O ATOM 0 H GLU B 41 11.309 -6.093 15.532 1.00 0.59 H new ATOM 0 HA GLU B 41 11.487 -3.491 14.470 1.00 0.60 H new ATOM 0 HB2 GLU B 41 13.584 -5.141 15.934 1.00 0.78 H new ATOM 0 HB3 GLU B 41 13.576 -3.396 15.772 1.00 0.78 H new ATOM 0 HG2 GLU B 41 11.352 -3.375 16.991 1.00 1.08 H new ATOM 0 HG3 GLU B 41 11.560 -5.090 17.282 1.00 1.08 H new ATOM 1527 N ASP B 42 13.251 -5.749 12.942 1.00 0.52 N ATOM 1528 CA ASP B 42 14.026 -6.002 11.732 1.00 0.51 C ATOM 1529 C ASP B 42 13.239 -5.566 10.503 1.00 0.43 C ATOM 1530 O ASP B 42 13.775 -4.916 9.603 1.00 0.47 O ATOM 1531 CB ASP B 42 14.381 -7.486 11.621 1.00 0.61 C ATOM 1532 CG ASP B 42 15.154 -7.803 10.355 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.383 -7.599 10.338 1.00 2.20 O ATOM 1534 OD2 ASP B 42 14.538 -8.268 9.376 1.00 2.29 O ATOM 0 H ASP B 42 12.936 -6.591 13.423 1.00 0.52 H new ATOM 0 HA ASP B 42 14.949 -5.425 11.789 1.00 0.51 H new ATOM 0 HB2 ASP B 42 14.972 -7.781 12.488 1.00 0.61 H new ATOM 0 HB3 ASP B 42 13.466 -8.078 11.643 1.00 0.61 H new ATOM 1539 N GLY B 43 11.957 -5.914 10.489 1.00 0.39 N ATOM 1540 CA GLY B 43 11.088 -5.537 9.393 1.00 0.37 C ATOM 1541 C GLY B 43 10.808 -4.050 9.376 1.00 0.34 C ATOM 1542 O GLY B 43 10.659 -3.448 8.316 1.00 0.34 O ATOM 0 H GLY B 43 11.502 -6.455 11.225 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.547 -5.830 8.449 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.147 -6.082 9.472 1.00 0.37 H new ATOM 1546 N ALA B 44 10.739 -3.454 10.557 1.00 0.33 N ATOM 1547 CA ALA B 44 10.560 -2.016 10.674 1.00 0.33 C ATOM 1548 C ALA B 44 11.730 -1.284 10.027 1.00 0.32 C ATOM 1549 O ALA B 44 11.552 -0.258 9.377 1.00 0.31 O ATOM 1550 CB ALA B 44 10.420 -1.620 12.136 1.00 0.38 C ATOM 0 H ALA B 44 10.804 -3.945 11.448 1.00 0.33 H new ATOM 0 HA ALA B 44 9.646 -1.732 10.152 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.287 -0.541 12.209 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.555 -2.123 12.568 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.318 -1.912 12.680 1.00 0.38 H new ATOM 1556 N ASP B 45 12.922 -1.847 10.191 1.00 0.36 N ATOM 1557 CA ASP B 45 14.136 -1.272 9.620 1.00 0.38 C ATOM 1558 C ASP B 45 14.107 -1.312 8.096 1.00 0.36 C ATOM 1559 O ASP B 45 14.477 -0.342 7.433 1.00 0.37 O ATOM 1560 CB ASP B 45 15.365 -2.019 10.133 1.00 0.48 C ATOM 1561 CG ASP B 45 16.638 -1.583 9.439 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.191 -0.530 9.811 1.00 1.81 O ATOM 1563 OD2 ASP B 45 17.089 -2.294 8.518 1.00 1.84 O ATOM 0 H ASP B 45 13.074 -2.707 10.718 1.00 0.36 H new ATOM 0 HA ASP B 45 14.189 -0.229 9.932 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.465 -1.855 11.206 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.223 -3.090 9.986 1.00 0.48 H new ATOM 1568 N SER B 46 13.662 -2.433 7.543 1.00 0.37 N ATOM 1569 CA SER B 46 13.579 -2.579 6.099 1.00 0.40 C ATOM 1570 C SER B 46 12.480 -1.683 5.529 1.00 0.36 C ATOM 1571 O SER B 46 12.573 -1.213 4.395 1.00 0.38 O ATOM 1572 CB SER B 46 13.351 -4.046 5.731 1.00 0.50 C ATOM 1573 OG SER B 46 12.690 -4.737 6.775 1.00 0.98 O ATOM 0 H SER B 46 13.355 -3.250 8.071 1.00 0.37 H new ATOM 0 HA SER B 46 14.523 -2.262 5.657 1.00 0.40 H new ATOM 0 HB2 SER B 46 12.758 -4.107 4.818 1.00 0.50 H new ATOM 0 HB3 SER B 46 14.308 -4.525 5.523 1.00 0.50 H new ATOM 0 HG SER B 46 11.956 -4.186 7.119 1.00 0.98 H new ATOM 1579 N LEU B 47 11.450 -1.427 6.328 1.00 0.32 N ATOM 1580 CA LEU B 47 10.401 -0.496 5.933 1.00 0.30 C ATOM 1581 C LEU B 47 10.927 0.935 5.928 1.00 0.27 C ATOM 1582 O LEU B 47 10.440 1.776 5.180 1.00 0.28 O ATOM 1583 CB LEU B 47 9.187 -0.602 6.860 1.00 0.30 C ATOM 1584 CG LEU B 47 8.420 -1.925 6.795 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.218 -1.888 7.726 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.980 -2.223 5.370 1.00 0.41 C ATOM 0 H LEU B 47 11.320 -1.849 7.248 1.00 0.32 H new ATOM 0 HA LEU B 47 10.087 -0.762 4.924 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.521 -0.446 7.886 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.498 0.209 6.622 1.00 0.30 H new ATOM 0 HG LEU B 47 9.087 -2.723 7.120 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.683 -2.836 7.668 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.555 -1.724 8.749 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.552 -1.078 7.429 1.00 0.39 H new ATOM 0 HD21 LEU B 47 7.437 -3.168 5.347 1.00 0.41 H new ATOM 0 HD22 LEU B 47 7.331 -1.423 5.015 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.856 -2.293 4.726 1.00 0.41 H new ATOM 1598 N ASN B 48 11.931 1.203 6.758 1.00 0.26 N ATOM 1599 CA ASN B 48 12.526 2.535 6.834 1.00 0.26 C ATOM 1600 C ASN B 48 13.173 2.918 5.506 1.00 0.27 C ATOM 1601 O ASN B 48 12.844 3.954 4.922 1.00 0.32 O ATOM 1602 CB ASN B 48 13.569 2.611 7.956 1.00 0.28 C ATOM 1603 CG ASN B 48 12.971 2.521 9.350 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.614 2.025 10.279 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.751 3.003 9.516 1.00 0.40 N ATOM 0 H ASN B 48 12.349 0.517 7.387 1.00 0.26 H new ATOM 0 HA ASN B 48 11.723 3.239 7.054 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.290 1.804 7.826 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.120 3.547 7.866 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.311 2.972 10.436 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.250 3.406 8.724 1.00 0.40 H new ATOM 1612 N VAL B 49 14.082 2.073 5.021 1.00 0.27 N ATOM 1613 CA VAL B 49 14.749 2.335 3.751 1.00 0.29 C ATOM 1614 C VAL B 49 13.735 2.333 2.608 1.00 0.29 C ATOM 1615 O VAL B 49 13.820 3.143 1.685 1.00 0.32 O ATOM 1616 CB VAL B 49 15.888 1.318 3.461 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.371 -0.113 3.426 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.599 1.657 2.157 1.00 0.36 C ATOM 0 H VAL B 49 14.370 1.211 5.484 1.00 0.27 H new ATOM 0 HA VAL B 49 15.207 3.321 3.826 1.00 0.29 H new ATOM 0 HB VAL B 49 16.604 1.393 4.279 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.197 -0.793 3.221 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.926 -0.363 4.389 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.619 -0.209 2.643 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.392 0.931 1.976 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.884 1.627 1.334 1.00 0.36 H new ATOM 0 HG23 VAL B 49 17.030 2.656 2.227 1.00 0.36 H new ATOM 1622 N ALA B 50 12.752 1.443 2.701 1.00 0.30 N ATOM 1623 CA ALA B 50 11.701 1.354 1.701 1.00 0.34 C ATOM 1624 C ALA B 50 10.859 2.623 1.683 1.00 0.33 C ATOM 1625 O ALA B 50 10.406 3.058 0.627 1.00 0.37 O ATOM 1626 CB ALA B 50 10.821 0.142 1.967 1.00 0.37 C ATOM 0 H ALA B 50 12.664 0.771 3.464 1.00 0.30 H new ATOM 0 HA ALA B 50 12.170 1.242 0.723 1.00 0.34 H new ATOM 0 HB1 ALA B 50 10.038 0.088 1.211 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.427 -0.763 1.928 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.367 0.232 2.954 1.00 0.37 H new ATOM 1632 N MET B 51 10.676 3.219 2.854 1.00 0.34 N ATOM 1633 CA MET B 51 9.832 4.399 3.010 1.00 0.39 C ATOM 1634 C MET B 51 10.318 5.535 2.125 1.00 0.31 C ATOM 1635 O MET B 51 9.550 6.108 1.348 1.00 0.30 O ATOM 1636 CB MET B 51 9.831 4.853 4.468 1.00 0.52 C ATOM 1637 CG MET B 51 8.605 5.659 4.855 1.00 0.62 C ATOM 1638 SD MET B 51 7.077 4.746 4.579 1.00 0.65 S ATOM 1639 CE MET B 51 7.535 3.146 5.239 1.00 0.41 C ATOM 0 H MET B 51 11.107 2.900 3.722 1.00 0.34 H new ATOM 0 HA MET B 51 8.819 4.132 2.710 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.897 3.976 5.112 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.722 5.452 4.653 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.674 5.940 5.906 1.00 0.62 H new ATOM 0 HG3 MET B 51 8.583 6.584 4.278 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.656 2.502 5.275 1.00 0.41 H new ATOM 0 HE2 MET B 51 8.292 2.692 4.599 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.937 3.269 6.245 1.00 0.41 H new ATOM 1649 N ASP B 52 11.599 5.853 2.242 1.00 0.31 N ATOM 1650 CA ASP B 52 12.188 6.921 1.446 1.00 0.32 C ATOM 1651 C ASP B 52 12.229 6.540 -0.027 1.00 0.28 C ATOM 1652 O ASP B 52 12.099 7.400 -0.899 1.00 0.30 O ATOM 1653 CB ASP B 52 13.587 7.272 1.953 1.00 0.42 C ATOM 1654 CG ASP B 52 13.541 8.119 3.207 1.00 1.16 C ATOM 1655 OD1 ASP B 52 13.427 7.551 4.313 1.00 1.99 O ATOM 1656 OD2 ASP B 52 13.607 9.359 3.094 1.00 1.84 O ATOM 0 H ASP B 52 12.248 5.389 2.877 1.00 0.31 H new ATOM 0 HA ASP B 52 11.558 7.804 1.551 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.140 6.355 2.155 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.131 7.807 1.174 1.00 0.42 H new ATOM 1661 N CYS B 53 12.383 5.250 -0.302 1.00 0.27 N ATOM 1662 CA CYS B 53 12.351 4.754 -1.672 1.00 0.27 C ATOM 1663 C CYS B 53 10.983 5.009 -2.301 1.00 0.28 C ATOM 1664 O CYS B 53 10.893 5.528 -3.411 1.00 0.36 O ATOM 1665 CB CYS B 53 12.684 3.262 -1.710 1.00 0.36 C ATOM 1666 SG CYS B 53 14.362 2.867 -1.168 1.00 1.05 S ATOM 0 H CYS B 53 12.531 4.530 0.405 1.00 0.27 H new ATOM 0 HA CYS B 53 13.104 5.291 -2.249 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.974 2.726 -1.080 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.547 2.896 -2.727 1.00 0.36 H new ATOM 0 HG CYS B 53 14.467 3.082 0.110 1.00 1.05 H new ATOM 1672 N ILE B 54 9.922 4.657 -1.576 1.00 0.26 N ATOM 1673 CA ILE B 54 8.556 4.904 -2.033 1.00 0.29 C ATOM 1674 C ILE B 54 8.337 6.399 -2.247 1.00 0.30 C ATOM 1675 O ILE B 54 7.794 6.827 -3.267 1.00 0.33 O ATOM 1676 CB ILE B 54 7.513 4.387 -1.011 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.714 2.893 -0.742 1.00 0.31 C ATOM 1678 CG2 ILE B 54 6.096 4.648 -1.514 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.922 2.372 0.442 1.00 0.33 C ATOM 0 H ILE B 54 9.983 4.198 -0.667 1.00 0.26 H new ATOM 0 HA ILE B 54 8.423 4.366 -2.972 1.00 0.29 H new ATOM 0 HB ILE B 54 7.655 4.928 -0.076 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.430 2.332 -1.632 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.774 2.704 -0.570 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.377 4.278 -0.783 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.952 5.719 -1.655 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.946 4.133 -2.463 1.00 0.33 H new ATOM 0 HD11 ILE B 54 7.116 1.307 0.569 1.00 0.33 H new ATOM 0 HD12 ILE B 54 7.222 2.906 1.344 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.858 2.528 0.265 1.00 0.33 H new ATOM 1686 N SER B 55 8.791 7.185 -1.281 1.00 0.30 N ATOM 1687 CA SER B 55 8.634 8.630 -1.319 1.00 0.36 C ATOM 1688 C SER B 55 9.343 9.234 -2.534 1.00 0.38 C ATOM 1689 O SER B 55 8.756 10.023 -3.272 1.00 0.41 O ATOM 1690 CB SER B 55 9.175 9.237 -0.024 1.00 0.40 C ATOM 1691 OG SER B 55 8.556 8.643 1.107 1.00 0.80 O ATOM 0 H SER B 55 9.276 6.840 -0.453 1.00 0.30 H new ATOM 0 HA SER B 55 7.573 8.862 -1.410 1.00 0.36 H new ATOM 0 HB2 SER B 55 10.254 9.092 0.028 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.997 10.312 -0.019 1.00 0.40 H new ATOM 0 HG SER B 55 8.937 7.753 1.259 1.00 0.80 H new ATOM 1697 N GLU B 56 10.596 8.842 -2.744 1.00 0.39 N ATOM 1698 CA GLU B 56 11.383 9.334 -3.870 1.00 0.48 C ATOM 1699 C GLU B 56 10.787 8.865 -5.196 1.00 0.42 C ATOM 1700 O GLU B 56 10.717 9.629 -6.158 1.00 0.45 O ATOM 1701 CB GLU B 56 12.835 8.858 -3.736 1.00 0.59 C ATOM 1702 CG GLU B 56 13.734 9.223 -4.910 1.00 0.82 C ATOM 1703 CD GLU B 56 13.793 10.712 -5.179 1.00 1.81 C ATOM 1704 OE1 GLU B 56 14.148 11.475 -4.258 1.00 2.38 O ATOM 1705 OE2 GLU B 56 13.501 11.123 -6.321 1.00 2.66 O ATOM 0 H GLU B 56 11.091 8.181 -2.145 1.00 0.39 H new ATOM 0 HA GLU B 56 11.363 10.424 -3.860 1.00 0.48 H new ATOM 0 HB2 GLU B 56 13.259 9.281 -2.825 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.839 7.775 -3.616 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.742 8.856 -4.715 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.377 8.713 -5.805 1.00 0.82 H new ATOM 1712 N ALA B 57 10.345 7.614 -5.229 1.00 0.38 N ATOM 1713 CA ALA B 57 9.779 7.027 -6.436 1.00 0.39 C ATOM 1714 C ALA B 57 8.560 7.807 -6.923 1.00 0.33 C ATOM 1715 O ALA B 57 8.455 8.140 -8.104 1.00 0.38 O ATOM 1716 CB ALA B 57 9.407 5.574 -6.185 1.00 0.41 C ATOM 0 H ALA B 57 10.368 6.983 -4.428 1.00 0.38 H new ATOM 0 HA ALA B 57 10.537 7.075 -7.218 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.985 5.144 -7.093 1.00 0.41 H new ATOM 0 HB2 ALA B 57 10.298 5.015 -5.899 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.671 5.520 -5.382 1.00 0.41 H new ATOM 1722 N PHE B 58 7.651 8.100 -6.005 1.00 0.28 N ATOM 1723 CA PHE B 58 6.419 8.798 -6.349 1.00 0.27 C ATOM 1724 C PHE B 58 6.619 10.310 -6.359 1.00 0.30 C ATOM 1725 O PHE B 58 5.808 11.051 -6.915 1.00 0.38 O ATOM 1726 CB PHE B 58 5.303 8.420 -5.374 1.00 0.27 C ATOM 1727 CG PHE B 58 4.788 7.019 -5.543 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.571 5.927 -5.203 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.512 6.795 -6.027 1.00 1.24 C ATOM 1730 CE1 PHE B 58 5.090 4.642 -5.347 1.00 1.22 C ATOM 1731 CE2 PHE B 58 3.026 5.510 -6.173 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.814 4.435 -5.831 1.00 0.29 C ATOM 0 H PHE B 58 7.742 7.866 -5.016 1.00 0.28 H new ATOM 0 HA PHE B 58 6.133 8.490 -7.355 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.670 8.540 -4.355 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.475 9.117 -5.499 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.569 6.084 -4.821 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.888 7.635 -6.294 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.711 3.799 -5.081 1.00 1.22 H new ATOM 0 HE2 PHE B 58 2.029 5.349 -6.555 1.00 1.21 H new ATOM 0 HZ PHE B 58 3.434 3.430 -5.941 1.00 0.29 H new ATOM 1742 N GLY B 59 7.696 10.760 -5.730 1.00 0.33 N ATOM 1743 CA GLY B 59 8.048 12.166 -5.766 1.00 0.38 C ATOM 1744 C GLY B 59 7.355 12.983 -4.696 1.00 0.37 C ATOM 1745 O GLY B 59 6.861 14.075 -4.971 1.00 0.42 O ATOM 0 H GLY B 59 8.335 10.174 -5.193 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.127 12.267 -5.649 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.794 12.572 -6.745 1.00 0.38 H new ATOM 1749 N PHE B 60 7.317 12.466 -3.476 1.00 0.35 N ATOM 1750 CA PHE B 60 6.724 13.197 -2.363 1.00 0.39 C ATOM 1751 C PHE B 60 7.550 12.996 -1.100 1.00 0.39 C ATOM 1752 O PHE B 60 8.322 12.044 -1.000 1.00 0.42 O ATOM 1753 CB PHE B 60 5.267 12.761 -2.125 1.00 0.40 C ATOM 1754 CG PHE B 60 5.106 11.385 -1.536 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.016 10.271 -2.352 1.00 1.19 C ATOM 1756 CD2 PHE B 60 5.030 11.210 -0.162 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.859 9.009 -1.810 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.872 9.953 0.384 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.787 8.850 -0.441 1.00 0.33 C ATOM 0 H PHE B 60 7.688 11.548 -3.231 1.00 0.35 H new ATOM 0 HA PHE B 60 6.721 14.257 -2.618 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.791 13.483 -1.461 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.732 12.799 -3.074 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.069 10.389 -3.424 1.00 1.19 H new ATOM 0 HD2 PHE B 60 5.095 12.069 0.489 1.00 1.21 H new ATOM 0 HE1 PHE B 60 4.793 8.147 -2.458 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.815 9.832 1.456 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.664 7.865 -0.016 1.00 0.33 H new ATOM 1769 N GLU B 61 7.395 13.904 -0.152 1.00 0.47 N ATOM 1770 CA GLU B 61 8.112 13.829 1.111 1.00 0.55 C ATOM 1771 C GLU B 61 7.286 13.087 2.152 1.00 0.50 C ATOM 1772 O GLU B 61 6.056 13.159 2.155 1.00 0.47 O ATOM 1773 CB GLU B 61 8.440 15.237 1.614 1.00 0.70 C ATOM 1774 CG GLU B 61 9.422 15.984 0.729 1.00 0.80 C ATOM 1775 CD GLU B 61 10.741 15.258 0.589 1.00 1.48 C ATOM 1776 OE1 GLU B 61 11.511 15.225 1.571 1.00 2.33 O ATOM 1777 OE2 GLU B 61 11.013 14.713 -0.497 1.00 2.06 O ATOM 0 H GLU B 61 6.774 14.709 -0.234 1.00 0.47 H new ATOM 0 HA GLU B 61 9.041 13.282 0.948 1.00 0.55 H new ATOM 0 HB2 GLU B 61 7.517 15.813 1.685 1.00 0.70 H new ATOM 0 HB3 GLU B 61 8.851 15.168 2.621 1.00 0.70 H new ATOM 0 HG2 GLU B 61 8.982 16.126 -0.258 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.599 16.976 1.144 1.00 0.80 H new ATOM 1784 N ARG B 62 7.979 12.390 3.048 1.00 0.53 N ATOM 1785 CA ARG B 62 7.341 11.589 4.093 1.00 0.53 C ATOM 1786 C ARG B 62 6.557 12.462 5.062 1.00 0.52 C ATOM 1787 O ARG B 62 5.706 11.974 5.800 1.00 0.64 O ATOM 1788 CB ARG B 62 8.395 10.789 4.861 1.00 0.62 C ATOM 1789 CG ARG B 62 9.076 9.716 4.029 1.00 1.40 C ATOM 1790 CD ARG B 62 10.224 9.065 4.785 1.00 1.46 C ATOM 1791 NE ARG B 62 9.800 8.519 6.075 1.00 2.25 N ATOM 1792 CZ ARG B 62 10.585 7.793 6.871 1.00 2.60 C ATOM 1793 NH1 ARG B 62 11.808 7.456 6.480 1.00 2.13 N ATOM 1794 NH2 ARG B 62 10.133 7.383 8.048 1.00 3.67 N ATOM 0 H ARG B 62 8.998 12.363 3.072 1.00 0.53 H new ATOM 0 HA ARG B 62 6.644 10.905 3.608 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.152 11.475 5.242 1.00 0.62 H new ATOM 0 HB3 ARG B 62 7.924 10.321 5.725 1.00 0.62 H new ATOM 0 HG2 ARG B 62 8.347 8.956 3.748 1.00 1.40 H new ATOM 0 HG3 ARG B 62 9.451 10.155 3.105 1.00 1.40 H new ATOM 0 HD2 ARG B 62 10.650 8.267 4.177 1.00 1.46 H new ATOM 0 HD3 ARG B 62 11.013 9.799 4.945 1.00 1.46 H new ATOM 0 HE ARG B 62 8.846 8.705 6.384 1.00 2.25 H new ATOM 0 HH11 ARG B 62 12.151 7.753 5.566 1.00 2.13 H new ATOM 0 HH12 ARG B 62 12.404 6.900 7.093 1.00 2.13 H new ATOM 0 HH21 ARG B 62 9.186 7.623 8.343 1.00 3.67 H new ATOM 0 HH22 ARG B 62 10.732 6.827 8.659 1.00 3.67 H new ATOM 1808 N GLU B 63 6.856 13.752 5.066 1.00 0.57 N ATOM 1809 CA GLU B 63 6.149 14.694 5.919 1.00 0.63 C ATOM 1810 C GLU B 63 5.036 15.393 5.144 1.00 0.62 C ATOM 1811 O GLU B 63 4.289 16.199 5.695 1.00 0.74 O ATOM 1812 CB GLU B 63 7.121 15.727 6.481 1.00 0.73 C ATOM 1813 CG GLU B 63 8.236 15.124 7.316 1.00 1.69 C ATOM 1814 CD GLU B 63 9.186 16.174 7.851 1.00 2.52 C ATOM 1815 OE1 GLU B 63 10.152 16.524 7.142 1.00 3.19 O ATOM 1816 OE2 GLU B 63 8.965 16.662 8.980 1.00 3.12 O ATOM 0 H GLU B 63 7.584 14.171 4.487 1.00 0.57 H new ATOM 0 HA GLU B 63 5.701 14.140 6.744 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.560 16.287 5.655 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.567 16.440 7.091 1.00 0.73 H new ATOM 0 HG2 GLU B 63 7.804 14.570 8.149 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.793 14.408 6.712 1.00 1.69 H new ATOM 1823 N ALA B 64 4.925 15.073 3.862 1.00 0.55 N ATOM 1824 CA ALA B 64 3.935 15.700 2.999 1.00 0.59 C ATOM 1825 C ALA B 64 2.761 14.764 2.746 1.00 0.53 C ATOM 1826 O ALA B 64 1.808 15.119 2.051 1.00 0.56 O ATOM 1827 CB ALA B 64 4.571 16.120 1.685 1.00 0.66 C ATOM 0 H ALA B 64 5.511 14.380 3.396 1.00 0.55 H new ATOM 0 HA ALA B 64 3.556 16.588 3.505 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.819 16.587 1.050 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.374 16.831 1.880 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.978 15.243 1.181 1.00 0.66 H new ATOM 1833 N VAL B 65 2.833 13.570 3.327 1.00 0.50 N ATOM 1834 CA VAL B 65 1.779 12.575 3.174 1.00 0.46 C ATOM 1835 C VAL B 65 0.449 13.102 3.717 1.00 0.52 C ATOM 1836 O VAL B 65 -0.613 12.842 3.150 1.00 0.53 O ATOM 1837 CB VAL B 65 2.159 11.243 3.870 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.577 11.472 5.311 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.015 10.246 3.816 1.00 0.50 C ATOM 0 H VAL B 65 3.614 13.268 3.910 1.00 0.50 H new ATOM 0 HA VAL B 65 1.663 12.378 2.108 1.00 0.46 H new ATOM 0 HB VAL B 65 3.007 10.828 3.325 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.837 10.518 5.770 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.441 12.135 5.338 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.753 11.927 5.861 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.313 9.323 4.312 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.144 10.664 4.320 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.765 10.035 2.776 1.00 0.50 H new ATOM 1843 N SER B 66 0.522 13.880 4.790 1.00 0.62 N ATOM 1844 CA SER B 66 -0.660 14.468 5.399 1.00 0.74 C ATOM 1845 C SER B 66 -1.329 15.457 4.444 1.00 0.75 C ATOM 1846 O SER B 66 -2.555 15.560 4.395 1.00 0.83 O ATOM 1847 CB SER B 66 -0.262 15.159 6.701 1.00 0.88 C ATOM 1848 OG SER B 66 0.946 15.884 6.531 1.00 1.63 O ATOM 0 H SER B 66 1.396 14.119 5.258 1.00 0.62 H new ATOM 0 HA SER B 66 -1.381 13.680 5.615 1.00 0.74 H new ATOM 0 HB2 SER B 66 -1.056 15.834 7.019 1.00 0.88 H new ATOM 0 HB3 SER B 66 -0.140 14.417 7.490 1.00 0.88 H new ATOM 0 HG SER B 66 1.186 16.322 7.374 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.511 16.171 3.677 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.030 17.101 2.696 1.00 0.74 C ATOM 1856 C GLY B 67 -1.708 16.388 1.543 1.00 0.69 C ATOM 1857 O GLY B 67 -2.733 16.844 1.036 1.00 0.74 O ATOM 0 H GLY B 67 0.507 16.120 3.720 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.741 17.774 3.175 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.216 17.717 2.314 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.137 15.260 1.135 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.718 14.449 0.071 1.00 0.58 C ATOM 1863 C ILE B 68 -3.052 13.861 0.522 1.00 0.62 C ATOM 1864 O ILE B 68 -4.029 13.854 -0.227 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.770 13.307 -0.356 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.586 13.874 -0.787 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.390 12.494 -1.486 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.600 12.813 -1.160 1.00 0.45 C ATOM 0 H ILE B 68 -0.272 14.886 1.525 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.876 15.101 -0.788 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.615 12.648 0.498 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.438 14.538 -1.639 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.990 14.481 0.023 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.709 11.694 -1.775 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.333 12.064 -1.150 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.572 13.142 -2.343 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.535 13.290 -1.454 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.778 12.163 -0.303 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.218 12.221 -1.991 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.094 13.408 1.769 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.311 12.844 2.348 1.00 0.66 C ATOM 1877 C LEU B 69 -5.338 13.938 2.639 1.00 0.84 C ATOM 1878 O LEU B 69 -6.438 13.665 3.117 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.979 12.075 3.628 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.058 10.868 3.435 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.673 10.265 4.777 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.729 9.823 2.556 1.00 0.45 C ATOM 0 H LEU B 69 -2.295 13.420 2.403 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.746 12.156 1.623 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.512 12.760 4.335 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.910 11.734 4.081 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.149 11.207 2.939 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.018 9.408 4.617 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.153 11.012 5.376 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.572 9.941 5.302 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.061 8.971 2.429 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.654 9.491 3.027 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.953 10.257 1.582 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.963 15.179 2.360 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.886 16.283 2.498 1.00 0.93 C ATOM 1896 C GLY B 70 -6.405 16.751 1.154 1.00 0.98 C ATOM 1897 O GLY B 70 -7.243 17.647 1.080 1.00 1.24 O ATOM 0 H GLY B 70 -4.031 15.440 2.039 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.724 15.980 3.126 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.390 17.111 3.005 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.902 16.138 0.089 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.306 16.489 -1.265 1.00 0.97 C ATOM 1903 C LYS B 71 -7.626 15.813 -1.617 1.00 0.98 C ATOM 1904 O LYS B 71 -8.536 16.437 -2.164 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.219 16.066 -2.262 1.00 1.11 C ATOM 1906 CG LYS B 71 -5.515 16.442 -3.707 1.00 1.68 C ATOM 1907 CD LYS B 71 -5.419 17.943 -3.944 1.00 2.11 C ATOM 1908 CE LYS B 71 -3.992 18.451 -3.779 1.00 2.60 C ATOM 1909 NZ LYS B 71 -3.048 17.789 -4.719 1.00 3.15 N ATOM 0 H LYS B 71 -5.209 15.391 0.139 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.441 17.569 -1.320 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.274 16.522 -1.966 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.085 14.986 -2.200 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -4.815 15.927 -4.365 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -6.514 16.098 -3.972 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -5.774 18.176 -4.948 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -6.074 18.464 -3.245 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -3.970 19.528 -3.944 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -3.663 18.278 -2.754 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -2.166 18.338 -4.769 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -2.839 16.828 -4.382 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -3.478 17.738 -5.665 1.00 3.15 H new ATOM 1923 N SER B 72 -7.721 14.537 -1.289 1.00 0.91 N ATOM 1924 CA SER B 72 -8.908 13.753 -1.583 1.00 1.08 C ATOM 1925 C SER B 72 -9.434 13.103 -0.305 1.00 1.03 C ATOM 1926 O SER B 72 -9.213 13.625 0.789 1.00 1.20 O ATOM 1927 CB SER B 72 -8.570 12.697 -2.637 1.00 1.29 C ATOM 1928 OG SER B 72 -8.133 13.310 -3.836 1.00 2.02 O ATOM 0 H SER B 72 -6.983 14.017 -0.814 1.00 0.91 H new ATOM 0 HA SER B 72 -9.690 14.402 -1.978 1.00 1.08 H new ATOM 0 HB2 SER B 72 -7.793 12.033 -2.258 1.00 1.29 H new ATOM 0 HB3 SER B 72 -9.447 12.081 -2.836 1.00 1.29 H new ATOM 0 HG SER B 72 -7.255 12.954 -4.084 1.00 2.02 H new ATOM 1934 N GLU B 73 -10.154 11.995 -0.446 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.661 11.252 0.701 1.00 1.30 C ATOM 1936 C GLU B 73 -9.520 10.553 1.438 1.00 1.26 C ATOM 1937 O GLU B 73 -8.666 11.208 2.032 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.701 10.225 0.247 1.00 1.67 C ATOM 1939 CG GLU B 73 -12.923 10.844 -0.402 1.00 1.87 C ATOM 1940 CD GLU B 73 -13.695 11.718 0.554 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -13.325 12.895 0.720 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -14.674 11.230 1.146 1.00 2.64 O ATOM 0 H GLU B 73 -10.400 11.590 -1.349 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.134 11.957 1.385 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -11.235 9.536 -0.458 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.017 9.635 1.108 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -12.614 11.436 -1.264 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -13.574 10.053 -0.775 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.513 9.221 1.380 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.463 8.414 1.999 1.00 1.02 C ATOM 1951 C PHE B 74 -8.271 8.798 3.463 1.00 1.07 C ATOM 1952 O PHE B 74 -7.147 8.889 3.957 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.153 8.579 1.223 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.295 8.278 -0.243 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -7.854 7.084 -0.664 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -6.873 9.190 -1.196 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -7.992 6.805 -2.008 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.008 8.915 -2.543 1.00 1.25 C ATOM 1959 CZ PHE B 74 -7.567 7.719 -2.949 1.00 1.19 C ATOM 0 H PHE B 74 -10.231 8.674 0.905 1.00 1.03 H new ATOM 0 HA PHE B 74 -8.765 7.367 1.965 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.791 9.600 1.345 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -6.398 7.920 1.652 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -8.186 6.363 0.068 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.434 10.126 -0.883 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -8.433 5.871 -2.323 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.677 9.634 -3.278 1.00 1.25 H new ATOM 0 HZ PHE B 74 -7.671 7.500 -4.001 1.00 1.19 H new ATOM 2015 N HIS B 78 -8.291 3.559 7.886 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.902 3.273 7.555 1.00 0.85 C ATOM 2017 C HIS B 78 -6.852 2.427 6.293 1.00 0.69 C ATOM 2018 O HIS B 78 -7.895 1.991 5.803 1.00 0.68 O ATOM 2019 CB HIS B 78 -6.201 2.525 8.691 1.00 1.02 C ATOM 2020 CG HIS B 78 -6.299 3.181 10.032 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -7.225 2.804 10.980 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -5.569 4.173 10.593 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -7.060 3.536 12.067 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -6.063 4.373 11.857 1.00 1.85 N ATOM 0 HA HIS B 78 -6.386 4.220 7.399 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -6.623 1.523 8.761 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -5.148 2.410 8.435 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -7.928 2.074 10.861 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -4.751 4.707 10.132 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -7.642 3.462 12.973 1.00 1.95 H new ATOM 2033 N LEU B 79 -5.653 2.180 5.780 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.495 1.395 4.561 1.00 0.46 C ATOM 2035 C LEU B 79 -6.187 0.039 4.700 1.00 0.44 C ATOM 2036 O LEU B 79 -6.959 -0.363 3.834 1.00 0.42 O ATOM 2037 CB LEU B 79 -4.010 1.198 4.239 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.718 0.476 2.920 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.176 1.311 1.735 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.237 0.159 2.801 1.00 0.41 C ATOM 0 H LEU B 79 -4.778 2.510 6.187 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.962 1.941 3.741 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.528 2.175 4.214 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.550 0.636 5.052 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.275 -0.461 2.916 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -3.959 0.779 0.809 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.249 1.489 1.808 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.649 2.265 1.737 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.049 -0.354 1.858 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.663 1.085 2.831 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.934 -0.482 3.629 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.937 -0.639 5.812 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.506 -1.961 6.050 1.00 0.54 C ATOM 2054 C ALA B 80 -8.027 -1.912 6.130 1.00 0.58 C ATOM 2055 O ALA B 80 -8.712 -2.756 5.552 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.934 -2.553 7.319 1.00 0.63 C ATOM 0 H ALA B 80 -5.342 -0.295 6.566 1.00 0.50 H new ATOM 0 HA ALA B 80 -6.239 -2.596 5.205 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -6.366 -3.540 7.487 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.852 -2.642 7.223 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -6.172 -1.905 8.162 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.550 -0.919 6.847 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.996 -0.743 6.980 1.00 0.70 C ATOM 2064 C ASP B 81 -10.625 -0.559 5.607 1.00 0.60 C ATOM 2065 O ASP B 81 -11.681 -1.117 5.306 1.00 0.67 O ATOM 2066 CB ASP B 81 -10.321 0.473 7.857 1.00 0.78 C ATOM 2067 CG ASP B 81 -9.815 0.343 9.279 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -10.480 -0.326 10.098 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -8.754 0.921 9.592 1.00 2.30 O ATOM 0 H ASP B 81 -7.994 -0.224 7.345 1.00 0.64 H new ATOM 0 HA ASP B 81 -10.405 -1.635 7.454 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.886 1.364 7.405 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -11.401 0.620 7.876 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.952 0.228 4.780 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.377 0.481 3.411 1.00 0.44 C ATOM 2076 C ILE B 82 -10.363 -0.798 2.575 1.00 0.48 C ATOM 2077 O ILE B 82 -11.340 -1.124 1.902 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.460 1.540 2.759 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.770 2.929 3.325 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.591 1.528 1.245 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.853 4.016 2.807 1.00 0.61 C ATOM 0 H ILE B 82 -9.092 0.711 5.041 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.401 0.853 3.444 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.427 1.290 2.999 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.800 3.189 3.082 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.698 2.893 4.412 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -8.933 2.284 0.817 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.312 0.546 0.863 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.622 1.745 0.967 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.133 4.971 3.252 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.823 3.780 3.073 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.942 4.081 1.723 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.253 -1.521 2.639 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.060 -2.726 1.839 1.00 0.52 C ATOM 2090 C LEU B 83 -10.070 -3.817 2.189 1.00 0.69 C ATOM 2091 O LEU B 83 -10.593 -4.496 1.305 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.633 -3.254 2.023 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.603 -2.755 1.005 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.553 -1.240 0.970 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.230 -3.320 1.333 1.00 0.43 C ATOM 0 H LEU B 83 -8.464 -1.292 3.243 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.220 -2.455 0.795 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.291 -2.982 3.021 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.660 -4.343 1.981 1.00 0.47 H new ATOM 0 HG LEU B 83 -6.907 -3.103 0.018 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -5.813 -0.917 0.238 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.532 -0.850 0.692 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.278 -0.862 1.955 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.505 -2.960 0.604 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -4.933 -2.997 2.331 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.267 -4.409 1.300 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.346 -3.979 3.474 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.240 -5.039 3.930 1.00 0.94 C ATOM 2109 C ASN B 84 -12.687 -4.753 3.539 1.00 0.97 C ATOM 2110 O ASN B 84 -13.388 -5.633 3.039 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.135 -5.203 5.447 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.954 -6.369 5.976 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.153 -7.375 5.286 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -12.428 -6.244 7.205 1.00 1.79 N ATOM 0 H ASN B 84 -9.967 -3.394 4.219 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.933 -5.965 3.444 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -10.090 -5.347 5.720 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.467 -4.284 5.930 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -12.981 -6.995 7.617 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -12.240 -5.396 7.740 1.00 1.79 H new ATOM 2121 N SER B 85 -13.114 -3.511 3.731 1.00 0.87 N ATOM 2122 CA SER B 85 -14.513 -3.135 3.534 1.00 0.93 C ATOM 2123 C SER B 85 -14.903 -3.090 2.055 1.00 0.91 C ATOM 2124 O SER B 85 -16.070 -2.870 1.727 1.00 1.01 O ATOM 2125 CB SER B 85 -14.779 -1.774 4.184 1.00 0.97 C ATOM 2126 OG SER B 85 -13.836 -0.805 3.750 1.00 1.50 O ATOM 0 H SER B 85 -12.511 -2.743 4.024 1.00 0.87 H new ATOM 0 HA SER B 85 -15.126 -3.902 4.007 1.00 0.93 H new ATOM 0 HB2 SER B 85 -15.787 -1.441 3.937 1.00 0.97 H new ATOM 0 HB3 SER B 85 -14.732 -1.871 5.269 1.00 0.97 H new ATOM 0 HG SER B 85 -13.132 -0.708 4.425 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.935 -3.314 1.172 1.00 0.88 N ATOM 2133 CA ALA B 86 -14.145 -3.177 -0.268 1.00 0.95 C ATOM 2134 C ALA B 86 -14.958 -4.329 -0.869 1.00 1.14 C ATOM 2135 O ALA B 86 -14.463 -5.068 -1.722 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.807 -3.051 -0.974 1.00 1.09 C ATOM 0 H ALA B 86 -12.989 -3.594 1.430 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.732 -2.272 -0.420 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.970 -2.949 -2.047 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.281 -2.172 -0.602 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -12.208 -3.941 -0.781 1.00 1.09 H new