USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 15 LYS NZ :NH3+ -138:sc= 1.15 (180deg=-0.346) USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.12) USER MOD Single : A 25 SER OG : rot 157:sc= 1.19 USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.0896 (180deg=-0.536) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.22) USER MOD Single : A 32 MET CE :methyl 147:sc= -0.556 (180deg=-1.81!) USER MOD Single : A 34 MET CE :methyl 165:sc= -0.0641 (180deg=-0.485) USER MOD Single : A 40 THR OG1 : rot -130:sc= 0.0906 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0.931 (180deg=0.835) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 90:sc= -1.06! USER MOD Single : A 62 SER OG : rot -113:sc= 1.21 USER MOD Single : A 64 SER OG : rot 31:sc= 0.904 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.884) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.536 1.720 9.917 1.00 20.12 N ATOM 57 CA GLY A 4 7.150 1.716 8.527 1.00 73.44 C ATOM 58 C GLY A 4 7.402 0.383 7.862 1.00 34.12 C ATOM 59 O GLY A 4 8.551 -0.029 7.691 1.00 33.44 O ATOM 0 HA2 GLY A 4 6.092 1.965 8.446 1.00 73.44 H new ATOM 0 HA3 GLY A 4 7.702 2.493 7.998 1.00 73.44 H new ATOM 63 N ILE A 5 6.329 -0.296 7.507 1.00 64.22 N ATOM 64 CA ILE A 5 6.426 -1.557 6.795 1.00 14.34 C ATOM 65 C ILE A 5 6.049 -1.346 5.339 1.00 41.32 C ATOM 66 O ILE A 5 5.590 -0.268 4.965 1.00 63.11 O ATOM 67 CB ILE A 5 5.513 -2.645 7.412 1.00 43.41 C ATOM 68 CG1 ILE A 5 4.054 -2.180 7.413 1.00 14.55 C ATOM 69 CG2 ILE A 5 5.969 -2.981 8.826 1.00 3.23 C ATOM 70 CD1 ILE A 5 3.074 -3.227 7.902 1.00 53.50 C ATOM 0 H ILE A 5 5.374 0.006 7.701 1.00 64.22 H new ATOM 0 HA ILE A 5 7.456 -1.904 6.874 1.00 14.34 H new ATOM 0 HB ILE A 5 5.586 -3.546 6.803 1.00 43.41 H new ATOM 0 HG12 ILE A 5 3.966 -1.294 8.041 1.00 14.55 H new ATOM 0 HG13 ILE A 5 3.777 -1.883 6.401 1.00 14.55 H new ATOM 0 HG21 ILE A 5 5.317 -3.747 9.246 1.00 3.23 H new ATOM 0 HG22 ILE A 5 6.994 -3.351 8.799 1.00 3.23 H new ATOM 0 HG23 ILE A 5 5.922 -2.086 9.446 1.00 3.23 H new ATOM 0 HD11 ILE A 5 2.063 -2.821 7.873 1.00 53.50 H new ATOM 0 HD12 ILE A 5 3.131 -4.106 7.260 1.00 53.50 H new ATOM 0 HD13 ILE A 5 3.322 -3.508 8.925 1.00 53.50 H new ATOM 82 N GLY A 6 6.246 -2.358 4.520 1.00 41.01 N ATOM 83 CA GLY A 6 5.887 -2.239 3.128 1.00 60.40 C ATOM 84 C GLY A 6 4.413 -2.491 2.907 1.00 14.34 C ATOM 85 O GLY A 6 3.767 -3.160 3.714 1.00 13.34 O ATOM 0 H GLY A 6 6.646 -3.257 4.790 1.00 41.01 H new ATOM 0 HA2 GLY A 6 6.143 -1.242 2.770 1.00 60.40 H new ATOM 0 HA3 GLY A 6 6.470 -2.948 2.540 1.00 60.40 H new ATOM 89 N LEU A 7 3.880 -1.957 1.817 1.00 71.34 N ATOM 90 CA LEU A 7 2.476 -2.145 1.463 1.00 1.11 C ATOM 91 C LEU A 7 2.184 -3.637 1.283 1.00 13.33 C ATOM 92 O LEU A 7 1.070 -4.105 1.507 1.00 64.42 O ATOM 93 CB LEU A 7 2.172 -1.350 0.177 1.00 53.12 C ATOM 94 CG LEU A 7 0.692 -1.148 -0.185 1.00 71.34 C ATOM 95 CD1 LEU A 7 0.092 -2.405 -0.795 1.00 31.25 C ATOM 96 CD2 LEU A 7 -0.100 -0.714 1.039 1.00 73.33 C ATOM 0 H LEU A 7 4.403 -1.384 1.155 1.00 71.34 H new ATOM 0 HA LEU A 7 1.831 -1.774 2.260 1.00 1.11 H new ATOM 0 HB2 LEU A 7 2.635 -0.368 0.268 1.00 53.12 H new ATOM 0 HB3 LEU A 7 2.659 -1.856 -0.657 1.00 53.12 H new ATOM 0 HG LEU A 7 0.636 -0.359 -0.935 1.00 71.34 H new ATOM 0 HD11 LEU A 7 -0.955 -2.227 -1.039 1.00 31.25 H new ATOM 0 HD12 LEU A 7 0.637 -2.665 -1.703 1.00 31.25 H new ATOM 0 HD13 LEU A 7 0.164 -3.226 -0.081 1.00 31.25 H new ATOM 0 HD21 LEU A 7 -1.146 -0.575 0.765 1.00 73.33 H new ATOM 0 HD22 LEU A 7 -0.025 -1.480 1.811 1.00 73.33 H new ATOM 0 HD23 LEU A 7 0.303 0.225 1.419 1.00 73.33 H new ATOM 108 N ASN A 8 3.220 -4.382 0.929 1.00 65.31 N ATOM 109 CA ASN A 8 3.107 -5.818 0.698 1.00 1.24 C ATOM 110 C ASN A 8 2.944 -6.584 2.012 1.00 43.12 C ATOM 111 O ASN A 8 2.668 -7.785 2.011 1.00 12.35 O ATOM 112 CB ASN A 8 4.352 -6.326 -0.038 1.00 63.14 C ATOM 113 CG ASN A 8 5.602 -6.301 0.829 1.00 1.21 C ATOM 114 OD1 ASN A 8 5.910 -7.271 1.517 1.00 61.52 O ATOM 115 ND2 ASN A 8 6.342 -5.202 0.791 1.00 61.33 N ATOM 0 H ASN A 8 4.161 -4.012 0.794 1.00 65.31 H new ATOM 0 HA ASN A 8 2.219 -5.990 0.089 1.00 1.24 H new ATOM 0 HB2 ASN A 8 4.174 -7.345 -0.382 1.00 63.14 H new ATOM 0 HB3 ASN A 8 4.519 -5.715 -0.925 1.00 63.14 H new ATOM 0 HD21 ASN A 8 7.197 -5.143 1.344 1.00 61.33 H new ATOM 0 HD22 ASN A 8 6.057 -4.415 0.208 1.00 61.33 H new ATOM 122 N GLU A 9 3.113 -5.886 3.130 1.00 2.01 N ATOM 123 CA GLU A 9 3.105 -6.516 4.438 1.00 64.01 C ATOM 124 C GLU A 9 1.790 -6.272 5.171 1.00 71.41 C ATOM 125 O GLU A 9 1.612 -6.724 6.302 1.00 1.40 O ATOM 126 CB GLU A 9 4.260 -5.969 5.272 1.00 54.24 C ATOM 127 CG GLU A 9 5.635 -6.341 4.750 1.00 73.41 C ATOM 128 CD GLU A 9 6.749 -5.731 5.573 1.00 63.13 C ATOM 129 OE1 GLU A 9 6.892 -6.105 6.755 1.00 14.03 O ATOM 130 OE2 GLU A 9 7.491 -4.876 5.043 1.00 51.41 O ATOM 0 H GLU A 9 3.258 -4.877 3.152 1.00 2.01 H new ATOM 0 HA GLU A 9 3.218 -7.591 4.296 1.00 64.01 H new ATOM 0 HB2 GLU A 9 4.181 -4.883 5.313 1.00 54.24 H new ATOM 0 HB3 GLU A 9 4.161 -6.335 6.294 1.00 54.24 H new ATOM 0 HG2 GLU A 9 5.739 -7.426 4.750 1.00 73.41 H new ATOM 0 HG3 GLU A 9 5.729 -6.012 3.715 1.00 73.41 H new ATOM 137 N VAL A 10 0.872 -5.567 4.528 1.00 45.31 N ATOM 138 CA VAL A 10 -0.370 -5.168 5.178 1.00 50.53 C ATOM 139 C VAL A 10 -1.398 -6.303 5.169 1.00 22.22 C ATOM 140 O VAL A 10 -1.337 -7.218 4.338 1.00 1.21 O ATOM 141 CB VAL A 10 -0.974 -3.917 4.500 1.00 14.44 C ATOM 142 CG1 VAL A 10 -2.152 -3.363 5.289 1.00 12.34 C ATOM 143 CG2 VAL A 10 0.088 -2.845 4.313 1.00 61.12 C ATOM 0 H VAL A 10 0.962 -5.259 3.560 1.00 45.31 H new ATOM 0 HA VAL A 10 -0.126 -4.929 6.213 1.00 50.53 H new ATOM 0 HB VAL A 10 -1.344 -4.222 3.521 1.00 14.44 H new ATOM 0 HG11 VAL A 10 -2.549 -2.484 4.781 1.00 12.34 H new ATOM 0 HG12 VAL A 10 -2.930 -4.123 5.362 1.00 12.34 H new ATOM 0 HG13 VAL A 10 -1.821 -3.085 6.290 1.00 12.34 H new ATOM 0 HG21 VAL A 10 -0.356 -1.972 3.834 1.00 61.12 H new ATOM 0 HG22 VAL A 10 0.492 -2.560 5.284 1.00 61.12 H new ATOM 0 HG23 VAL A 10 0.891 -3.233 3.686 1.00 61.12 H new ATOM 153 N GLU A 11 -2.334 -6.225 6.103 1.00 62.32 N ATOM 154 CA GLU A 11 -3.401 -7.206 6.235 1.00 22.45 C ATOM 155 C GLU A 11 -4.506 -6.917 5.228 1.00 13.31 C ATOM 156 O GLU A 11 -4.571 -5.829 4.657 1.00 44.10 O ATOM 157 CB GLU A 11 -3.967 -7.172 7.663 1.00 73.44 C ATOM 158 CG GLU A 11 -4.865 -8.347 8.017 1.00 1.12 C ATOM 159 CD GLU A 11 -4.150 -9.672 7.907 1.00 61.41 C ATOM 160 OE1 GLU A 11 -4.102 -10.230 6.793 1.00 15.01 O ATOM 161 OE2 GLU A 11 -3.628 -10.158 8.932 1.00 11.31 O ATOM 0 H GLU A 11 -2.375 -5.476 6.794 1.00 62.32 H new ATOM 0 HA GLU A 11 -2.997 -8.199 6.036 1.00 22.45 H new ATOM 0 HB2 GLU A 11 -3.136 -7.141 8.368 1.00 73.44 H new ATOM 0 HB3 GLU A 11 -4.531 -6.248 7.794 1.00 73.44 H new ATOM 0 HG2 GLU A 11 -5.238 -8.222 9.033 1.00 1.12 H new ATOM 0 HG3 GLU A 11 -5.732 -8.350 7.357 1.00 1.12 H new ATOM 168 N ILE A 12 -5.375 -7.891 5.023 1.00 30.23 N ATOM 169 CA ILE A 12 -6.467 -7.745 4.071 1.00 21.14 C ATOM 170 C ILE A 12 -7.612 -6.930 4.668 1.00 25.22 C ATOM 171 O ILE A 12 -7.968 -7.101 5.834 1.00 41.22 O ATOM 172 CB ILE A 12 -6.999 -9.112 3.585 1.00 31.42 C ATOM 173 CG1 ILE A 12 -7.430 -9.986 4.767 1.00 2.32 C ATOM 174 CG2 ILE A 12 -5.943 -9.824 2.748 1.00 71.24 C ATOM 175 CD1 ILE A 12 -8.050 -11.303 4.352 1.00 62.22 C ATOM 0 H ILE A 12 -5.348 -8.791 5.501 1.00 30.23 H new ATOM 0 HA ILE A 12 -6.061 -7.213 3.210 1.00 21.14 H new ATOM 0 HB ILE A 12 -7.876 -8.934 2.962 1.00 31.42 H new ATOM 0 HG12 ILE A 12 -6.563 -10.185 5.397 1.00 2.32 H new ATOM 0 HG13 ILE A 12 -8.145 -9.433 5.375 1.00 2.32 H new ATOM 0 HG21 ILE A 12 -6.332 -10.785 2.413 1.00 71.24 H new ATOM 0 HG22 ILE A 12 -5.692 -9.212 1.882 1.00 71.24 H new ATOM 0 HG23 ILE A 12 -5.049 -9.984 3.350 1.00 71.24 H new ATOM 0 HD11 ILE A 12 -8.331 -11.869 5.240 1.00 62.22 H new ATOM 0 HD12 ILE A 12 -8.937 -11.113 3.747 1.00 62.22 H new ATOM 0 HD13 ILE A 12 -7.329 -11.877 3.769 1.00 62.22 H new ATOM 187 N LYS A 13 -8.167 -6.040 3.853 1.00 73.54 N ATOM 188 CA LYS A 13 -9.258 -5.152 4.257 1.00 23.42 C ATOM 189 C LYS A 13 -8.849 -4.264 5.426 1.00 72.15 C ATOM 190 O LYS A 13 -9.607 -4.068 6.377 1.00 12.32 O ATOM 191 CB LYS A 13 -10.530 -5.947 4.570 1.00 5.53 C ATOM 192 CG LYS A 13 -11.106 -6.631 3.341 1.00 14.25 C ATOM 193 CD LYS A 13 -12.478 -7.224 3.603 1.00 32.14 C ATOM 194 CE LYS A 13 -12.426 -8.349 4.618 1.00 11.34 C ATOM 195 NZ LYS A 13 -13.752 -8.995 4.786 1.00 2.21 N ATOM 0 H LYS A 13 -7.872 -5.911 2.885 1.00 73.54 H new ATOM 0 HA LYS A 13 -9.480 -4.495 3.416 1.00 23.42 H new ATOM 0 HB2 LYS A 13 -10.308 -6.697 5.329 1.00 5.53 H new ATOM 0 HB3 LYS A 13 -11.278 -5.277 4.993 1.00 5.53 H new ATOM 0 HG2 LYS A 13 -11.173 -5.911 2.525 1.00 14.25 H new ATOM 0 HG3 LYS A 13 -10.428 -7.420 3.015 1.00 14.25 H new ATOM 0 HD2 LYS A 13 -13.148 -6.443 3.962 1.00 32.14 H new ATOM 0 HD3 LYS A 13 -12.896 -7.598 2.668 1.00 32.14 H new ATOM 0 HE2 LYS A 13 -11.696 -9.093 4.300 1.00 11.34 H new ATOM 0 HE3 LYS A 13 -12.087 -7.959 5.577 1.00 11.34 H new ATOM 0 HZ1 LYS A 13 -13.679 -9.760 5.487 1.00 2.21 H new ATOM 0 HZ2 LYS A 13 -14.443 -8.290 5.113 1.00 2.21 H new ATOM 0 HZ3 LYS A 13 -14.064 -9.389 3.875 1.00 2.21 H new ATOM 209 N SER A 14 -7.647 -3.718 5.331 1.00 1.24 N ATOM 210 CA SER A 14 -7.149 -2.778 6.318 1.00 24.15 C ATOM 211 C SER A 14 -6.986 -1.400 5.680 1.00 24.12 C ATOM 212 O SER A 14 -7.099 -1.254 4.457 1.00 10.21 O ATOM 213 CB SER A 14 -5.816 -3.274 6.890 1.00 72.23 C ATOM 214 OG SER A 14 -5.391 -2.487 7.991 1.00 70.31 O ATOM 0 H SER A 14 -6.994 -3.913 4.572 1.00 1.24 H new ATOM 0 HA SER A 14 -7.864 -2.700 7.137 1.00 24.15 H new ATOM 0 HB2 SER A 14 -5.919 -4.313 7.204 1.00 72.23 H new ATOM 0 HB3 SER A 14 -5.054 -3.250 6.111 1.00 72.23 H new ATOM 0 HG SER A 14 -4.539 -2.833 8.331 1.00 70.31 H new ATOM 220 N LYS A 15 -6.713 -0.403 6.505 1.00 51.31 N ATOM 221 CA LYS A 15 -6.590 0.970 6.041 1.00 64.10 C ATOM 222 C LYS A 15 -5.288 1.572 6.546 1.00 31.31 C ATOM 223 O LYS A 15 -5.101 1.760 7.752 1.00 44.52 O ATOM 224 CB LYS A 15 -7.795 1.791 6.510 1.00 24.10 C ATOM 225 CG LYS A 15 -7.836 3.223 5.992 1.00 61.40 C ATOM 226 CD LYS A 15 -9.218 3.823 6.201 1.00 65.54 C ATOM 227 CE LYS A 15 -9.356 5.209 5.591 1.00 32.05 C ATOM 228 NZ LYS A 15 -8.907 6.285 6.512 1.00 30.33 N ATOM 0 H LYS A 15 -6.571 -0.520 7.508 1.00 51.31 H new ATOM 0 HA LYS A 15 -6.573 0.984 4.951 1.00 64.10 H new ATOM 0 HB2 LYS A 15 -8.707 1.281 6.199 1.00 24.10 H new ATOM 0 HB3 LYS A 15 -7.799 1.814 7.600 1.00 24.10 H new ATOM 0 HG2 LYS A 15 -7.089 3.825 6.509 1.00 61.40 H new ATOM 0 HG3 LYS A 15 -7.581 3.241 4.932 1.00 61.40 H new ATOM 0 HD2 LYS A 15 -9.966 3.162 5.763 1.00 65.54 H new ATOM 0 HD3 LYS A 15 -9.427 3.878 7.269 1.00 65.54 H new ATOM 0 HE2 LYS A 15 -8.774 5.257 4.671 1.00 32.05 H new ATOM 0 HE3 LYS A 15 -10.397 5.380 5.318 1.00 32.05 H new ATOM 0 HZ1 LYS A 15 -9.573 7.082 6.465 1.00 30.33 H new ATOM 0 HZ2 LYS A 15 -8.874 5.918 7.485 1.00 30.33 H new ATOM 0 HZ3 LYS A 15 -7.959 6.609 6.232 1.00 30.33 H new ATOM 242 N VAL A 16 -4.384 1.857 5.624 1.00 1.40 N ATOM 243 CA VAL A 16 -3.056 2.326 5.987 1.00 20.33 C ATOM 244 C VAL A 16 -2.727 3.672 5.355 1.00 64.22 C ATOM 245 O VAL A 16 -3.345 4.090 4.373 1.00 23.55 O ATOM 246 CB VAL A 16 -1.962 1.306 5.603 1.00 10.21 C ATOM 247 CG1 VAL A 16 -2.075 0.053 6.458 1.00 14.24 C ATOM 248 CG2 VAL A 16 -2.047 0.954 4.126 1.00 24.05 C ATOM 0 H VAL A 16 -4.544 1.772 4.620 1.00 1.40 H new ATOM 0 HA VAL A 16 -3.070 2.444 7.071 1.00 20.33 H new ATOM 0 HB VAL A 16 -0.990 1.763 5.789 1.00 10.21 H new ATOM 0 HG11 VAL A 16 -1.296 -0.654 6.173 1.00 14.24 H new ATOM 0 HG12 VAL A 16 -1.958 0.318 7.509 1.00 14.24 H new ATOM 0 HG13 VAL A 16 -3.053 -0.404 6.306 1.00 14.24 H new ATOM 0 HG21 VAL A 16 -1.267 0.234 3.878 1.00 24.05 H new ATOM 0 HG22 VAL A 16 -3.023 0.520 3.911 1.00 24.05 H new ATOM 0 HG23 VAL A 16 -1.912 1.856 3.529 1.00 24.05 H new ATOM 258 N LYS A 17 -1.748 4.334 5.943 1.00 44.53 N ATOM 259 CA LYS A 17 -1.276 5.627 5.486 1.00 21.13 C ATOM 260 C LYS A 17 0.074 5.486 4.813 1.00 53.11 C ATOM 261 O LYS A 17 0.902 4.685 5.228 1.00 44.13 O ATOM 262 CB LYS A 17 -1.160 6.564 6.683 1.00 22.43 C ATOM 263 CG LYS A 17 -0.397 7.854 6.434 1.00 21.41 C ATOM 264 CD LYS A 17 -0.474 8.762 7.652 1.00 60.53 C ATOM 265 CE LYS A 17 0.721 9.695 7.753 1.00 74.11 C ATOM 266 NZ LYS A 17 1.966 8.968 8.121 1.00 11.04 N ATOM 0 H LYS A 17 -1.252 3.984 6.762 1.00 44.53 H new ATOM 0 HA LYS A 17 -1.983 6.035 4.763 1.00 21.13 H new ATOM 0 HB2 LYS A 17 -2.164 6.817 7.023 1.00 22.43 H new ATOM 0 HB3 LYS A 17 -0.674 6.026 7.497 1.00 22.43 H new ATOM 0 HG2 LYS A 17 0.645 7.629 6.206 1.00 21.41 H new ATOM 0 HG3 LYS A 17 -0.810 8.366 5.565 1.00 21.41 H new ATOM 0 HD2 LYS A 17 -1.389 9.352 7.605 1.00 60.53 H new ATOM 0 HD3 LYS A 17 -0.533 8.152 8.554 1.00 60.53 H new ATOM 0 HE2 LYS A 17 0.866 10.203 6.800 1.00 74.11 H new ATOM 0 HE3 LYS A 17 0.518 10.465 8.497 1.00 74.11 H new ATOM 0 HZ1 LYS A 17 2.607 9.611 8.628 1.00 11.04 H new ATOM 0 HZ2 LYS A 17 1.729 8.161 8.733 1.00 11.04 H new ATOM 0 HZ3 LYS A 17 2.434 8.622 7.259 1.00 11.04 H new ATOM 280 N VAL A 18 0.290 6.271 3.787 1.00 61.15 N ATOM 281 CA VAL A 18 1.558 6.273 3.087 1.00 71.52 C ATOM 282 C VAL A 18 2.524 7.221 3.778 1.00 12.23 C ATOM 283 O VAL A 18 2.374 8.444 3.701 1.00 43.14 O ATOM 284 CB VAL A 18 1.401 6.680 1.607 1.00 52.43 C ATOM 285 CG1 VAL A 18 2.752 6.686 0.907 1.00 14.52 C ATOM 286 CG2 VAL A 18 0.437 5.743 0.900 1.00 30.54 C ATOM 0 H VAL A 18 -0.400 6.923 3.413 1.00 61.15 H new ATOM 0 HA VAL A 18 1.950 5.256 3.111 1.00 71.52 H new ATOM 0 HB VAL A 18 0.992 7.690 1.568 1.00 52.43 H new ATOM 0 HG11 VAL A 18 2.620 6.975 -0.136 1.00 14.52 H new ATOM 0 HG12 VAL A 18 3.414 7.398 1.400 1.00 14.52 H new ATOM 0 HG13 VAL A 18 3.191 5.689 0.954 1.00 14.52 H new ATOM 0 HG21 VAL A 18 0.337 6.043 -0.143 1.00 30.54 H new ATOM 0 HG22 VAL A 18 0.819 4.723 0.949 1.00 30.54 H new ATOM 0 HG23 VAL A 18 -0.538 5.789 1.386 1.00 30.54 H new ATOM 296 N ILE A 19 3.463 6.644 4.513 1.00 51.31 N ATOM 297 CA ILE A 19 4.528 7.414 5.145 1.00 34.44 C ATOM 298 C ILE A 19 5.334 8.163 4.094 1.00 70.12 C ATOM 299 O ILE A 19 5.584 9.365 4.222 1.00 54.43 O ATOM 300 CB ILE A 19 5.495 6.520 5.948 1.00 72.12 C ATOM 301 CG1 ILE A 19 4.717 5.577 6.863 1.00 0.44 C ATOM 302 CG2 ILE A 19 6.462 7.377 6.759 1.00 74.21 C ATOM 303 CD1 ILE A 19 5.600 4.731 7.754 1.00 41.51 C ATOM 0 H ILE A 19 3.510 5.640 4.688 1.00 51.31 H new ATOM 0 HA ILE A 19 4.045 8.112 5.829 1.00 34.44 H new ATOM 0 HB ILE A 19 6.073 5.918 5.247 1.00 72.12 H new ATOM 0 HG12 ILE A 19 4.042 6.164 7.486 1.00 0.44 H new ATOM 0 HG13 ILE A 19 4.097 4.921 6.252 1.00 0.44 H new ATOM 0 HG21 ILE A 19 7.138 6.731 7.320 1.00 74.21 H new ATOM 0 HG22 ILE A 19 7.040 8.010 6.085 1.00 74.21 H new ATOM 0 HG23 ILE A 19 5.900 8.003 7.452 1.00 74.21 H new ATOM 0 HD11 ILE A 19 4.979 4.086 8.376 1.00 41.51 H new ATOM 0 HD12 ILE A 19 6.257 4.117 7.138 1.00 41.51 H new ATOM 0 HD13 ILE A 19 6.201 5.379 8.391 1.00 41.51 H new ATOM 315 N GLY A 20 5.745 7.439 3.063 1.00 11.55 N ATOM 316 CA GLY A 20 6.505 8.040 1.996 1.00 20.04 C ATOM 317 C GLY A 20 6.953 7.027 0.964 1.00 35.30 C ATOM 318 O GLY A 20 6.744 5.822 1.121 1.00 54.23 O ATOM 0 H GLY A 20 5.563 6.442 2.950 1.00 11.55 H new ATOM 0 HA2 GLY A 20 5.901 8.806 1.510 1.00 20.04 H new ATOM 0 HA3 GLY A 20 7.379 8.540 2.413 1.00 20.04 H new ATOM 322 N ILE A 21 7.570 7.534 -0.085 1.00 21.11 N ATOM 323 CA ILE A 21 8.079 6.722 -1.178 1.00 61.40 C ATOM 324 C ILE A 21 9.571 6.472 -0.969 1.00 22.43 C ATOM 325 O ILE A 21 10.215 7.196 -0.211 1.00 52.41 O ATOM 326 CB ILE A 21 7.848 7.426 -2.538 1.00 64.22 C ATOM 327 CG1 ILE A 21 6.413 7.959 -2.630 1.00 41.24 C ATOM 328 CG2 ILE A 21 8.125 6.471 -3.693 1.00 61.35 C ATOM 329 CD1 ILE A 21 6.148 8.758 -3.887 1.00 30.24 C ATOM 0 H ILE A 21 7.735 8.533 -0.206 1.00 21.11 H new ATOM 0 HA ILE A 21 7.545 5.772 -1.190 1.00 61.40 H new ATOM 0 HB ILE A 21 8.540 8.265 -2.607 1.00 64.22 H new ATOM 0 HG12 ILE A 21 5.718 7.120 -2.589 1.00 41.24 H new ATOM 0 HG13 ILE A 21 6.209 8.585 -1.761 1.00 41.24 H new ATOM 0 HG21 ILE A 21 7.957 6.986 -4.639 1.00 61.35 H new ATOM 0 HG22 ILE A 21 9.159 6.131 -3.644 1.00 61.35 H new ATOM 0 HG23 ILE A 21 7.457 5.612 -3.623 1.00 61.35 H new ATOM 0 HD11 ILE A 21 5.114 9.104 -3.887 1.00 30.24 H new ATOM 0 HD12 ILE A 21 6.818 9.617 -3.920 1.00 30.24 H new ATOM 0 HD13 ILE A 21 6.320 8.129 -4.761 1.00 30.24 H new ATOM 341 N VAL A 22 10.106 5.443 -1.611 1.00 73.41 N ATOM 342 CA VAL A 22 11.529 5.134 -1.533 1.00 42.31 C ATOM 343 C VAL A 22 12.240 5.672 -2.780 1.00 25.32 C ATOM 344 O VAL A 22 12.288 5.012 -3.817 1.00 43.35 O ATOM 345 CB VAL A 22 11.786 3.616 -1.396 1.00 22.42 C ATOM 346 CG1 VAL A 22 13.271 3.335 -1.226 1.00 1.13 C ATOM 347 CG2 VAL A 22 11.000 3.044 -0.226 1.00 3.14 C ATOM 0 H VAL A 22 9.571 4.802 -2.197 1.00 73.41 H new ATOM 0 HA VAL A 22 11.926 5.615 -0.639 1.00 42.31 H new ATOM 0 HB VAL A 22 11.447 3.130 -2.311 1.00 22.42 H new ATOM 0 HG11 VAL A 22 13.430 2.261 -1.131 1.00 1.13 H new ATOM 0 HG12 VAL A 22 13.813 3.707 -2.095 1.00 1.13 H new ATOM 0 HG13 VAL A 22 13.636 3.836 -0.329 1.00 1.13 H new ATOM 0 HG21 VAL A 22 11.194 1.974 -0.146 1.00 3.14 H new ATOM 0 HG22 VAL A 22 11.307 3.539 0.695 1.00 3.14 H new ATOM 0 HG23 VAL A 22 9.935 3.208 -0.388 1.00 3.14 H new ATOM 357 N PRO A 23 12.731 6.926 -2.698 1.00 75.45 N ATOM 358 CA PRO A 23 13.258 7.679 -3.848 1.00 60.42 C ATOM 359 C PRO A 23 14.417 6.992 -4.567 1.00 63.20 C ATOM 360 O PRO A 23 14.997 6.028 -4.064 1.00 13.31 O ATOM 361 CB PRO A 23 13.728 9.003 -3.235 1.00 71.41 C ATOM 362 CG PRO A 23 13.001 9.109 -1.943 1.00 51.21 C ATOM 363 CD PRO A 23 12.849 7.701 -1.453 1.00 32.43 C ATOM 0 HA PRO A 23 12.492 7.785 -4.617 1.00 60.42 H new ATOM 0 HB2 PRO A 23 14.807 9.006 -3.082 1.00 71.41 H new ATOM 0 HB3 PRO A 23 13.497 9.844 -3.888 1.00 71.41 H new ATOM 0 HG2 PRO A 23 13.557 9.715 -1.228 1.00 51.21 H new ATOM 0 HG3 PRO A 23 12.030 9.585 -2.077 1.00 51.21 H new ATOM 0 HD2 PRO A 23 13.708 7.385 -0.861 1.00 32.43 H new ATOM 0 HD3 PRO A 23 11.968 7.587 -0.822 1.00 32.43 H new ATOM 371 N GLU A 24 14.730 7.518 -5.756 1.00 12.01 N ATOM 372 CA GLU A 24 15.789 6.989 -6.618 1.00 41.41 C ATOM 373 C GLU A 24 15.447 5.572 -7.095 1.00 64.30 C ATOM 374 O GLU A 24 16.296 4.845 -7.608 1.00 13.54 O ATOM 375 CB GLU A 24 17.135 7.029 -5.884 1.00 71.40 C ATOM 376 CG GLU A 24 18.346 7.081 -6.803 1.00 1.13 C ATOM 377 CD GLU A 24 19.622 7.405 -6.054 1.00 14.33 C ATOM 378 OE1 GLU A 24 20.271 6.470 -5.541 1.00 32.23 O ATOM 379 OE2 GLU A 24 19.977 8.601 -5.966 1.00 25.32 O ATOM 0 H GLU A 24 14.251 8.329 -6.149 1.00 12.01 H new ATOM 0 HA GLU A 24 15.869 7.618 -7.505 1.00 41.41 H new ATOM 0 HB2 GLU A 24 17.153 7.900 -5.229 1.00 71.40 H new ATOM 0 HB3 GLU A 24 17.215 6.149 -5.246 1.00 71.40 H new ATOM 0 HG2 GLU A 24 18.457 6.122 -7.308 1.00 1.13 H new ATOM 0 HG3 GLU A 24 18.181 7.831 -7.576 1.00 1.13 H new ATOM 386 N SER A 25 14.179 5.208 -6.949 1.00 72.24 N ATOM 387 CA SER A 25 13.689 3.910 -7.379 1.00 52.43 C ATOM 388 C SER A 25 13.267 3.969 -8.839 1.00 31.45 C ATOM 389 O SER A 25 13.081 5.050 -9.397 1.00 73.43 O ATOM 390 CB SER A 25 12.491 3.494 -6.524 1.00 34.35 C ATOM 391 OG SER A 25 12.088 2.163 -6.798 1.00 2.33 O ATOM 0 H SER A 25 13.465 5.804 -6.530 1.00 72.24 H new ATOM 0 HA SER A 25 14.489 3.179 -7.263 1.00 52.43 H new ATOM 0 HB2 SER A 25 12.748 3.587 -5.469 1.00 34.35 H new ATOM 0 HB3 SER A 25 11.658 4.172 -6.710 1.00 34.35 H new ATOM 0 HG SER A 25 11.604 1.802 -6.026 1.00 2.33 H new ATOM 397 N LYS A 26 13.089 2.811 -9.452 1.00 31.01 N ATOM 398 CA LYS A 26 12.600 2.755 -10.815 1.00 10.43 C ATOM 399 C LYS A 26 11.090 2.956 -10.834 1.00 63.34 C ATOM 400 O LYS A 26 10.520 3.345 -11.849 1.00 10.34 O ATOM 401 CB LYS A 26 12.959 1.427 -11.489 1.00 44.30 C ATOM 402 CG LYS A 26 14.442 1.264 -11.793 1.00 41.43 C ATOM 403 CD LYS A 26 15.235 0.786 -10.586 1.00 60.54 C ATOM 404 CE LYS A 26 14.895 -0.653 -10.223 1.00 54.30 C ATOM 405 NZ LYS A 26 15.071 -1.577 -11.374 1.00 61.42 N ATOM 0 H LYS A 26 13.275 1.902 -9.028 1.00 31.01 H new ATOM 0 HA LYS A 26 13.082 3.555 -11.376 1.00 10.43 H new ATOM 0 HB2 LYS A 26 12.639 0.607 -10.846 1.00 44.30 H new ATOM 0 HB3 LYS A 26 12.397 1.340 -12.419 1.00 44.30 H new ATOM 0 HG2 LYS A 26 14.566 0.553 -12.610 1.00 41.43 H new ATOM 0 HG3 LYS A 26 14.846 2.217 -12.135 1.00 41.43 H new ATOM 0 HD2 LYS A 26 16.302 0.866 -10.796 1.00 60.54 H new ATOM 0 HD3 LYS A 26 15.028 1.435 -9.735 1.00 60.54 H new ATOM 0 HE2 LYS A 26 15.529 -0.978 -9.398 1.00 54.30 H new ATOM 0 HE3 LYS A 26 13.864 -0.704 -9.872 1.00 54.30 H new ATOM 0 HZ1 LYS A 26 15.147 -2.554 -11.026 1.00 61.42 H new ATOM 0 HZ2 LYS A 26 14.252 -1.499 -12.010 1.00 61.42 H new ATOM 0 HZ3 LYS A 26 15.937 -1.325 -11.892 1.00 61.42 H new ATOM 419 N VAL A 27 10.448 2.695 -9.702 1.00 44.01 N ATOM 420 CA VAL A 27 9.008 2.877 -9.595 1.00 33.15 C ATOM 421 C VAL A 27 8.659 4.133 -8.801 1.00 2.45 C ATOM 422 O VAL A 27 7.488 4.479 -8.675 1.00 71.40 O ATOM 423 CB VAL A 27 8.320 1.655 -8.950 1.00 62.11 C ATOM 424 CG1 VAL A 27 8.526 0.412 -9.799 1.00 61.23 C ATOM 425 CG2 VAL A 27 8.834 1.425 -7.539 1.00 1.52 C ATOM 0 H VAL A 27 10.899 2.359 -8.851 1.00 44.01 H new ATOM 0 HA VAL A 27 8.637 2.988 -10.614 1.00 33.15 H new ATOM 0 HB VAL A 27 7.251 1.862 -8.894 1.00 62.11 H new ATOM 0 HG11 VAL A 27 8.033 -0.437 -9.326 1.00 61.23 H new ATOM 0 HG12 VAL A 27 8.100 0.573 -10.789 1.00 61.23 H new ATOM 0 HG13 VAL A 27 9.593 0.207 -9.891 1.00 61.23 H new ATOM 0 HG21 VAL A 27 8.334 0.559 -7.106 1.00 1.52 H new ATOM 0 HG22 VAL A 27 9.909 1.247 -7.568 1.00 1.52 H new ATOM 0 HG23 VAL A 27 8.629 2.305 -6.929 1.00 1.52 H new ATOM 435 N ARG A 28 9.682 4.813 -8.273 1.00 34.21 N ATOM 436 CA ARG A 28 9.484 6.047 -7.507 1.00 51.24 C ATOM 437 C ARG A 28 8.603 7.034 -8.278 1.00 5.35 C ATOM 438 O ARG A 28 7.613 7.541 -7.744 1.00 21.30 O ATOM 439 CB ARG A 28 10.846 6.680 -7.183 1.00 13.33 C ATOM 440 CG ARG A 28 10.822 7.771 -6.113 1.00 20.42 C ATOM 441 CD ARG A 28 10.208 9.076 -6.603 1.00 34.23 C ATOM 442 NE ARG A 28 10.852 9.574 -7.819 1.00 30.31 N ATOM 443 CZ ARG A 28 10.581 10.756 -8.376 1.00 61.52 C ATOM 444 NH1 ARG A 28 9.790 11.626 -7.754 1.00 34.51 N ATOM 445 NH2 ARG A 28 11.131 11.080 -9.538 1.00 2.54 N ATOM 0 H ARG A 28 10.657 4.529 -8.363 1.00 34.21 H new ATOM 0 HA ARG A 28 8.974 5.802 -6.575 1.00 51.24 H new ATOM 0 HB2 ARG A 28 11.526 5.892 -6.860 1.00 13.33 H new ATOM 0 HB3 ARG A 28 11.259 7.102 -8.099 1.00 13.33 H new ATOM 0 HG2 ARG A 28 10.260 7.413 -5.251 1.00 20.42 H new ATOM 0 HG3 ARG A 28 11.840 7.961 -5.773 1.00 20.42 H new ATOM 0 HD2 ARG A 28 9.145 8.925 -6.794 1.00 34.23 H new ATOM 0 HD3 ARG A 28 10.288 9.829 -5.819 1.00 34.23 H new ATOM 0 HE ARG A 28 11.550 8.982 -8.268 1.00 30.31 H new ATOM 0 HH11 ARG A 28 9.387 11.391 -6.847 1.00 34.51 H new ATOM 0 HH12 ARG A 28 9.586 12.528 -8.184 1.00 34.51 H new ATOM 0 HH21 ARG A 28 11.760 10.426 -10.004 1.00 2.54 H new ATOM 0 HH22 ARG A 28 10.925 11.983 -9.966 1.00 2.54 H new ATOM 459 N ARG A 29 8.964 7.302 -9.530 1.00 3.53 N ATOM 460 CA ARG A 29 8.203 8.237 -10.347 1.00 51.03 C ATOM 461 C ARG A 29 6.794 7.713 -10.586 1.00 20.15 C ATOM 462 O ARG A 29 5.827 8.452 -10.453 1.00 74.03 O ATOM 463 CB ARG A 29 8.895 8.503 -11.686 1.00 31.34 C ATOM 464 CG ARG A 29 8.090 9.425 -12.585 1.00 72.11 C ATOM 465 CD ARG A 29 8.795 9.724 -13.893 1.00 3.41 C ATOM 466 NE ARG A 29 7.940 10.505 -14.785 1.00 24.54 N ATOM 467 CZ ARG A 29 8.389 11.311 -15.744 1.00 50.33 C ATOM 468 NH1 ARG A 29 9.693 11.455 -15.944 1.00 70.20 N ATOM 469 NH2 ARG A 29 7.526 11.976 -16.499 1.00 74.02 N ATOM 0 H ARG A 29 9.772 6.888 -9.996 1.00 3.53 H new ATOM 0 HA ARG A 29 8.146 9.179 -9.801 1.00 51.03 H new ATOM 0 HB2 ARG A 29 9.875 8.944 -11.503 1.00 31.34 H new ATOM 0 HB3 ARG A 29 9.062 7.556 -12.199 1.00 31.34 H new ATOM 0 HG2 ARG A 29 7.122 8.969 -12.794 1.00 72.11 H new ATOM 0 HG3 ARG A 29 7.895 10.360 -12.059 1.00 72.11 H new ATOM 0 HD2 ARG A 29 9.717 10.272 -13.696 1.00 3.41 H new ATOM 0 HD3 ARG A 29 9.077 8.790 -14.380 1.00 3.41 H new ATOM 0 HE ARG A 29 6.930 10.427 -14.664 1.00 24.54 H new ATOM 0 HH11 ARG A 29 10.358 10.946 -15.361 1.00 70.20 H new ATOM 0 HH12 ARG A 29 10.031 12.074 -16.681 1.00 70.20 H new ATOM 0 HH21 ARG A 29 6.524 11.869 -16.343 1.00 74.02 H new ATOM 0 HH22 ARG A 29 7.864 12.595 -17.236 1.00 74.02 H new ATOM 483 N LYS A 30 6.694 6.435 -10.932 1.00 13.14 N ATOM 484 CA LYS A 30 5.404 5.784 -11.146 1.00 15.11 C ATOM 485 C LYS A 30 4.462 6.031 -9.972 1.00 32.02 C ATOM 486 O LYS A 30 3.347 6.515 -10.150 1.00 35.11 O ATOM 487 CB LYS A 30 5.606 4.278 -11.332 1.00 10.01 C ATOM 488 CG LYS A 30 4.312 3.491 -11.481 1.00 2.13 C ATOM 489 CD LYS A 30 4.583 2.005 -11.659 1.00 32.54 C ATOM 490 CE LYS A 30 3.288 1.211 -11.738 1.00 0.01 C ATOM 491 NZ LYS A 30 3.532 -0.222 -12.051 1.00 52.43 N ATOM 0 H LYS A 30 7.498 5.823 -11.072 1.00 13.14 H new ATOM 0 HA LYS A 30 4.955 6.209 -12.044 1.00 15.11 H new ATOM 0 HB2 LYS A 30 6.224 4.111 -12.215 1.00 10.01 H new ATOM 0 HB3 LYS A 30 6.159 3.888 -10.478 1.00 10.01 H new ATOM 0 HG2 LYS A 30 3.687 3.646 -10.601 1.00 2.13 H new ATOM 0 HG3 LYS A 30 3.753 3.866 -12.339 1.00 2.13 H new ATOM 0 HD2 LYS A 30 5.165 1.846 -12.567 1.00 32.54 H new ATOM 0 HD3 LYS A 30 5.185 1.641 -10.826 1.00 32.54 H new ATOM 0 HE2 LYS A 30 2.756 1.290 -10.790 1.00 0.01 H new ATOM 0 HE3 LYS A 30 2.643 1.644 -12.502 1.00 0.01 H new ATOM 0 HZ1 LYS A 30 2.630 -0.686 -12.279 1.00 52.43 H new ATOM 0 HZ2 LYS A 30 4.174 -0.295 -12.866 1.00 52.43 H new ATOM 0 HZ3 LYS A 30 3.963 -0.689 -11.227 1.00 52.43 H new ATOM 505 N ILE A 31 4.939 5.716 -8.780 1.00 74.51 N ATOM 506 CA ILE A 31 4.148 5.845 -7.562 1.00 55.44 C ATOM 507 C ILE A 31 3.670 7.285 -7.345 1.00 73.44 C ATOM 508 O ILE A 31 2.488 7.521 -7.089 1.00 14.10 O ATOM 509 CB ILE A 31 4.964 5.368 -6.334 1.00 1.35 C ATOM 510 CG1 ILE A 31 5.361 3.895 -6.493 1.00 22.21 C ATOM 511 CG2 ILE A 31 4.184 5.572 -5.045 1.00 4.12 C ATOM 512 CD1 ILE A 31 4.186 2.962 -6.695 1.00 3.22 C ATOM 0 H ILE A 31 5.884 5.364 -8.626 1.00 74.51 H new ATOM 0 HA ILE A 31 3.267 5.213 -7.677 1.00 55.44 H new ATOM 0 HB ILE A 31 5.871 5.970 -6.278 1.00 1.35 H new ATOM 0 HG12 ILE A 31 6.038 3.801 -7.342 1.00 22.21 H new ATOM 0 HG13 ILE A 31 5.914 3.580 -5.608 1.00 22.21 H new ATOM 0 HG21 ILE A 31 4.781 5.228 -4.200 1.00 4.12 H new ATOM 0 HG22 ILE A 31 3.956 6.631 -4.921 1.00 4.12 H new ATOM 0 HG23 ILE A 31 3.255 5.003 -5.088 1.00 4.12 H new ATOM 0 HD11 ILE A 31 4.547 1.939 -6.799 1.00 3.22 H new ATOM 0 HD12 ILE A 31 3.519 3.025 -5.835 1.00 3.22 H new ATOM 0 HD13 ILE A 31 3.644 3.249 -7.596 1.00 3.22 H new ATOM 524 N MET A 32 4.578 8.245 -7.475 1.00 41.34 N ATOM 525 CA MET A 32 4.233 9.644 -7.230 1.00 50.02 C ATOM 526 C MET A 32 3.387 10.210 -8.372 1.00 12.42 C ATOM 527 O MET A 32 2.578 11.118 -8.171 1.00 61.41 O ATOM 528 CB MET A 32 5.491 10.492 -6.986 1.00 32.12 C ATOM 529 CG MET A 32 6.404 10.649 -8.188 1.00 61.42 C ATOM 530 SD MET A 32 5.901 11.999 -9.273 1.00 22.42 S ATOM 531 CE MET A 32 5.944 13.375 -8.125 1.00 15.42 C ATOM 0 H MET A 32 5.549 8.086 -7.745 1.00 41.34 H new ATOM 0 HA MET A 32 3.630 9.686 -6.323 1.00 50.02 H new ATOM 0 HB2 MET A 32 5.183 11.483 -6.651 1.00 32.12 H new ATOM 0 HB3 MET A 32 6.061 10.043 -6.172 1.00 32.12 H new ATOM 0 HG2 MET A 32 7.423 10.825 -7.844 1.00 61.42 H new ATOM 0 HG3 MET A 32 6.415 9.718 -8.755 1.00 61.42 H new ATOM 0 HE1 MET A 32 6.240 14.281 -8.654 1.00 15.42 H new ATOM 0 HE2 MET A 32 4.955 13.516 -7.689 1.00 15.42 H new ATOM 0 HE3 MET A 32 6.663 13.166 -7.333 1.00 15.42 H new ATOM 541 N ASP A 33 3.571 9.663 -9.568 1.00 43.05 N ATOM 542 CA ASP A 33 2.786 10.056 -10.734 1.00 21.14 C ATOM 543 C ASP A 33 1.356 9.551 -10.590 1.00 23.30 C ATOM 544 O ASP A 33 0.411 10.157 -11.093 1.00 12.41 O ATOM 545 CB ASP A 33 3.421 9.487 -12.009 1.00 75.22 C ATOM 546 CG ASP A 33 2.775 9.995 -13.279 1.00 20.44 C ATOM 547 OD1 ASP A 33 1.743 9.434 -13.701 1.00 40.51 O ATOM 548 OD2 ASP A 33 3.309 10.947 -13.877 1.00 32.21 O ATOM 0 H ASP A 33 4.264 8.939 -9.757 1.00 43.05 H new ATOM 0 HA ASP A 33 2.771 11.144 -10.804 1.00 21.14 H new ATOM 0 HB2 ASP A 33 4.481 9.741 -12.023 1.00 75.22 H new ATOM 0 HB3 ASP A 33 3.354 8.399 -11.986 1.00 75.22 H new ATOM 553 N MET A 34 1.215 8.446 -9.870 1.00 75.44 N ATOM 554 CA MET A 34 -0.083 7.828 -9.632 1.00 24.22 C ATOM 555 C MET A 34 -0.831 8.520 -8.491 1.00 3.51 C ATOM 556 O MET A 34 -1.937 8.122 -8.130 1.00 52.30 O ATOM 557 CB MET A 34 0.105 6.339 -9.329 1.00 5.10 C ATOM 558 CG MET A 34 0.453 5.513 -10.559 1.00 61.01 C ATOM 559 SD MET A 34 0.896 3.808 -10.162 1.00 5.04 S ATOM 560 CE MET A 34 -0.576 3.269 -9.298 1.00 34.54 C ATOM 0 H MET A 34 1.995 7.954 -9.435 1.00 75.44 H new ATOM 0 HA MET A 34 -0.688 7.939 -10.532 1.00 24.22 H new ATOM 0 HB2 MET A 34 0.895 6.223 -8.587 1.00 5.10 H new ATOM 0 HB3 MET A 34 -0.810 5.948 -8.884 1.00 5.10 H new ATOM 0 HG2 MET A 34 -0.397 5.512 -11.242 1.00 61.01 H new ATOM 0 HG3 MET A 34 1.283 5.985 -11.084 1.00 61.01 H new ATOM 0 HE1 MET A 34 -0.576 2.182 -9.223 1.00 34.54 H new ATOM 0 HE2 MET A 34 -0.590 3.702 -8.298 1.00 34.54 H new ATOM 0 HE3 MET A 34 -1.460 3.595 -9.847 1.00 34.54 H new ATOM 570 N GLY A 35 -0.220 9.554 -7.924 1.00 13.34 N ATOM 571 CA GLY A 35 -0.889 10.339 -6.905 1.00 71.33 C ATOM 572 C GLY A 35 -0.418 10.018 -5.502 1.00 3.24 C ATOM 573 O GLY A 35 -0.785 10.702 -4.544 1.00 31.11 O ATOM 0 H GLY A 35 0.725 9.862 -8.152 1.00 13.34 H new ATOM 0 HA2 GLY A 35 -0.724 11.398 -7.104 1.00 71.33 H new ATOM 0 HA3 GLY A 35 -1.963 10.167 -6.969 1.00 71.33 H new ATOM 577 N ILE A 36 0.402 8.986 -5.371 1.00 4.33 N ATOM 578 CA ILE A 36 0.896 8.576 -4.065 1.00 33.54 C ATOM 579 C ILE A 36 2.111 9.402 -3.680 1.00 31.43 C ATOM 580 O ILE A 36 3.042 9.554 -4.466 1.00 34.14 O ATOM 581 CB ILE A 36 1.285 7.087 -4.043 1.00 50.10 C ATOM 582 CG1 ILE A 36 0.191 6.249 -4.694 1.00 61.04 C ATOM 583 CG2 ILE A 36 1.532 6.623 -2.613 1.00 33.05 C ATOM 584 CD1 ILE A 36 0.581 4.803 -4.916 1.00 1.14 C ATOM 0 H ILE A 36 0.738 8.419 -6.149 1.00 4.33 H new ATOM 0 HA ILE A 36 0.088 8.737 -3.352 1.00 33.54 H new ATOM 0 HB ILE A 36 2.207 6.958 -4.610 1.00 50.10 H new ATOM 0 HG12 ILE A 36 -0.701 6.283 -4.068 1.00 61.04 H new ATOM 0 HG13 ILE A 36 -0.074 6.696 -5.652 1.00 61.04 H new ATOM 0 HG21 ILE A 36 1.806 5.568 -2.615 1.00 33.05 H new ATOM 0 HG22 ILE A 36 2.341 7.207 -2.176 1.00 33.05 H new ATOM 0 HG23 ILE A 36 0.625 6.761 -2.024 1.00 33.05 H new ATOM 0 HD11 ILE A 36 -0.248 4.270 -5.383 1.00 1.14 H new ATOM 0 HD12 ILE A 36 1.454 4.757 -5.567 1.00 1.14 H new ATOM 0 HD13 ILE A 36 0.818 4.339 -3.959 1.00 1.14 H new ATOM 596 N VAL A 37 2.090 9.943 -2.475 1.00 52.12 N ATOM 597 CA VAL A 37 3.204 10.747 -1.976 1.00 44.30 C ATOM 598 C VAL A 37 3.361 10.607 -0.463 1.00 4.43 C ATOM 599 O VAL A 37 4.131 9.775 0.017 1.00 2.14 O ATOM 600 CB VAL A 37 3.064 12.247 -2.343 1.00 60.13 C ATOM 601 CG1 VAL A 37 3.699 12.533 -3.694 1.00 61.14 C ATOM 602 CG2 VAL A 37 1.603 12.683 -2.355 1.00 3.22 C ATOM 0 H VAL A 37 1.315 9.843 -1.819 1.00 52.12 H new ATOM 0 HA VAL A 37 4.097 10.359 -2.467 1.00 44.30 H new ATOM 0 HB VAL A 37 3.587 12.820 -1.577 1.00 60.13 H new ATOM 0 HG11 VAL A 37 3.589 13.591 -3.931 1.00 61.14 H new ATOM 0 HG12 VAL A 37 4.758 12.277 -3.660 1.00 61.14 H new ATOM 0 HG13 VAL A 37 3.206 11.936 -4.461 1.00 61.14 H new ATOM 0 HG21 VAL A 37 1.541 13.739 -2.616 1.00 3.22 H new ATOM 0 HG22 VAL A 37 1.054 12.095 -3.090 1.00 3.22 H new ATOM 0 HG23 VAL A 37 1.169 12.527 -1.368 1.00 3.22 H new ATOM 612 N ARG A 38 2.615 11.411 0.280 1.00 73.03 N ATOM 613 CA ARG A 38 2.675 11.408 1.732 1.00 3.54 C ATOM 614 C ARG A 38 1.297 11.692 2.308 1.00 34.42 C ATOM 615 O ARG A 38 0.619 12.622 1.874 1.00 12.12 O ATOM 616 CB ARG A 38 3.671 12.460 2.229 1.00 73.11 C ATOM 617 CG ARG A 38 5.127 12.045 2.095 1.00 23.35 C ATOM 618 CD ARG A 38 6.061 13.222 2.315 1.00 11.54 C ATOM 619 NE ARG A 38 5.722 13.974 3.522 1.00 34.11 N ATOM 620 CZ ARG A 38 6.604 14.639 4.263 1.00 74.24 C ATOM 621 NH1 ARG A 38 7.900 14.582 3.978 1.00 24.03 N ATOM 622 NH2 ARG A 38 6.187 15.347 5.301 1.00 75.32 N ATOM 0 H ARG A 38 1.952 12.083 -0.107 1.00 73.03 H new ATOM 0 HA ARG A 38 3.009 10.425 2.064 1.00 3.54 H new ATOM 0 HB2 ARG A 38 3.515 13.385 1.673 1.00 73.11 H new ATOM 0 HB3 ARG A 38 3.461 12.678 3.276 1.00 73.11 H new ATOM 0 HG2 ARG A 38 5.351 11.261 2.818 1.00 23.35 H new ATOM 0 HG3 ARG A 38 5.297 11.624 1.104 1.00 23.35 H new ATOM 0 HD2 ARG A 38 7.087 12.861 2.389 1.00 11.54 H new ATOM 0 HD3 ARG A 38 6.018 13.885 1.451 1.00 11.54 H new ATOM 0 HE ARG A 38 4.745 13.990 3.815 1.00 34.11 H new ATOM 0 HH11 ARG A 38 8.224 14.026 3.187 1.00 24.03 H new ATOM 0 HH12 ARG A 38 8.571 15.094 4.550 1.00 24.03 H new ATOM 0 HH21 ARG A 38 5.193 15.381 5.529 1.00 75.32 H new ATOM 0 HH22 ARG A 38 6.859 15.859 5.872 1.00 75.32 H new ATOM 636 N GLY A 39 0.876 10.875 3.259 1.00 11.35 N ATOM 637 CA GLY A 39 -0.419 11.074 3.883 1.00 11.45 C ATOM 638 C GLY A 39 -1.535 10.410 3.106 1.00 60.25 C ATOM 639 O GLY A 39 -2.690 10.422 3.533 1.00 12.41 O ATOM 0 H GLY A 39 1.405 10.078 3.612 1.00 11.35 H new ATOM 0 HA2 GLY A 39 -0.397 10.675 4.897 1.00 11.45 H new ATOM 0 HA3 GLY A 39 -0.621 12.142 3.965 1.00 11.45 H new ATOM 643 N THR A 40 -1.190 9.835 1.959 1.00 41.10 N ATOM 644 CA THR A 40 -2.149 9.108 1.147 1.00 12.34 C ATOM 645 C THR A 40 -2.644 7.884 1.912 1.00 34.42 C ATOM 646 O THR A 40 -1.883 7.266 2.654 1.00 31.25 O ATOM 647 CB THR A 40 -1.513 8.658 -0.179 1.00 20.35 C ATOM 648 OG1 THR A 40 -0.592 9.659 -0.646 1.00 10.10 O ATOM 649 CG2 THR A 40 -2.577 8.423 -1.238 1.00 40.14 C ATOM 0 H THR A 40 -0.247 9.861 1.572 1.00 41.10 H new ATOM 0 HA THR A 40 -2.986 9.771 0.926 1.00 12.34 H new ATOM 0 HB THR A 40 -0.982 7.723 -0.000 1.00 20.35 H new ATOM 0 HG1 THR A 40 -0.781 9.865 -1.585 1.00 10.10 H new ATOM 0 HG21 THR A 40 -2.102 8.106 -2.166 1.00 40.14 H new ATOM 0 HG22 THR A 40 -3.264 7.648 -0.898 1.00 40.14 H new ATOM 0 HG23 THR A 40 -3.129 9.347 -1.410 1.00 40.14 H new ATOM 657 N GLU A 41 -3.907 7.543 1.748 1.00 44.34 N ATOM 658 CA GLU A 41 -4.488 6.424 2.456 1.00 52.54 C ATOM 659 C GLU A 41 -4.950 5.352 1.489 1.00 74.21 C ATOM 660 O GLU A 41 -5.606 5.642 0.487 1.00 34.51 O ATOM 661 CB GLU A 41 -5.647 6.913 3.307 1.00 43.01 C ATOM 662 CG GLU A 41 -5.210 7.799 4.457 1.00 3.13 C ATOM 663 CD GLU A 41 -6.375 8.283 5.285 1.00 63.23 C ATOM 664 OE1 GLU A 41 -6.957 9.329 4.942 1.00 30.52 O ATOM 665 OE2 GLU A 41 -6.715 7.619 6.284 1.00 22.41 O ATOM 0 H GLU A 41 -4.553 8.030 1.126 1.00 44.34 H new ATOM 0 HA GLU A 41 -3.730 5.982 3.102 1.00 52.54 H new ATOM 0 HB2 GLU A 41 -6.345 7.464 2.677 1.00 43.01 H new ATOM 0 HB3 GLU A 41 -6.186 6.053 3.704 1.00 43.01 H new ATOM 0 HG2 GLU A 41 -4.519 7.248 5.095 1.00 3.13 H new ATOM 0 HG3 GLU A 41 -4.665 8.658 4.064 1.00 3.13 H new ATOM 672 N ILE A 42 -4.612 4.116 1.804 1.00 3.23 N ATOM 673 CA ILE A 42 -4.872 3.001 0.914 1.00 64.24 C ATOM 674 C ILE A 42 -5.783 1.969 1.570 1.00 12.43 C ATOM 675 O ILE A 42 -5.610 1.632 2.745 1.00 41.44 O ATOM 676 CB ILE A 42 -3.551 2.314 0.505 1.00 3.11 C ATOM 677 CG1 ILE A 42 -2.633 3.301 -0.221 1.00 73.05 C ATOM 678 CG2 ILE A 42 -3.822 1.095 -0.371 1.00 2.00 C ATOM 679 CD1 ILE A 42 -1.283 2.724 -0.592 1.00 64.01 C ATOM 0 H ILE A 42 -4.153 3.858 2.677 1.00 3.23 H new ATOM 0 HA ILE A 42 -5.368 3.401 0.030 1.00 64.24 H new ATOM 0 HB ILE A 42 -3.049 1.978 1.412 1.00 3.11 H new ATOM 0 HG12 ILE A 42 -3.131 3.646 -1.127 1.00 73.05 H new ATOM 0 HG13 ILE A 42 -2.482 4.175 0.413 1.00 73.05 H new ATOM 0 HG21 ILE A 42 -2.877 0.628 -0.647 1.00 2.00 H new ATOM 0 HG22 ILE A 42 -4.433 0.380 0.180 1.00 2.00 H new ATOM 0 HG23 ILE A 42 -4.350 1.405 -1.273 1.00 2.00 H new ATOM 0 HD11 ILE A 42 -0.691 3.483 -1.103 1.00 64.01 H new ATOM 0 HD12 ILE A 42 -0.763 2.405 0.311 1.00 64.01 H new ATOM 0 HD13 ILE A 42 -1.422 1.868 -1.252 1.00 64.01 H new ATOM 691 N TYR A 43 -6.760 1.485 0.813 1.00 40.43 N ATOM 692 CA TYR A 43 -7.579 0.363 1.244 1.00 44.21 C ATOM 693 C TYR A 43 -7.059 -0.922 0.619 1.00 23.21 C ATOM 694 O TYR A 43 -7.064 -1.069 -0.602 1.00 52.14 O ATOM 695 CB TYR A 43 -9.043 0.560 0.841 1.00 52.14 C ATOM 696 CG TYR A 43 -9.900 1.229 1.893 1.00 42.33 C ATOM 697 CD1 TYR A 43 -10.371 0.510 2.986 1.00 21.11 C ATOM 698 CD2 TYR A 43 -10.260 2.566 1.785 1.00 45.42 C ATOM 699 CE1 TYR A 43 -11.177 1.105 3.939 1.00 23.32 C ATOM 700 CE2 TYR A 43 -11.060 3.167 2.737 1.00 11.01 C ATOM 701 CZ TYR A 43 -11.518 2.433 3.810 1.00 41.25 C ATOM 702 OH TYR A 43 -12.330 3.029 4.748 1.00 20.34 O ATOM 0 H TYR A 43 -7.004 1.855 -0.106 1.00 40.43 H new ATOM 0 HA TYR A 43 -7.522 0.301 2.331 1.00 44.21 H new ATOM 0 HB2 TYR A 43 -9.078 1.156 -0.071 1.00 52.14 H new ATOM 0 HB3 TYR A 43 -9.475 -0.412 0.603 1.00 52.14 H new ATOM 0 HD1 TYR A 43 -10.103 -0.531 3.092 1.00 21.11 H new ATOM 0 HD2 TYR A 43 -9.909 3.145 0.943 1.00 45.42 H new ATOM 0 HE1 TYR A 43 -11.537 0.531 4.780 1.00 23.32 H new ATOM 0 HE2 TYR A 43 -11.326 4.209 2.641 1.00 11.01 H new ATOM 0 HH TYR A 43 -12.472 3.969 4.508 1.00 20.34 H new ATOM 712 N ILE A 44 -6.597 -1.843 1.442 1.00 51.22 N ATOM 713 CA ILE A 44 -6.139 -3.127 0.936 1.00 43.11 C ATOM 714 C ILE A 44 -7.330 -4.051 0.735 1.00 21.20 C ATOM 715 O ILE A 44 -7.885 -4.562 1.697 1.00 2.23 O ATOM 716 CB ILE A 44 -5.124 -3.790 1.891 1.00 62.41 C ATOM 717 CG1 ILE A 44 -3.920 -2.872 2.100 1.00 1.42 C ATOM 718 CG2 ILE A 44 -4.680 -5.145 1.350 1.00 54.42 C ATOM 719 CD1 ILE A 44 -3.184 -2.540 0.821 1.00 51.31 C ATOM 0 H ILE A 44 -6.528 -1.731 2.453 1.00 51.22 H new ATOM 0 HA ILE A 44 -5.637 -2.951 -0.015 1.00 43.11 H new ATOM 0 HB ILE A 44 -5.609 -3.953 2.854 1.00 62.41 H new ATOM 0 HG12 ILE A 44 -4.256 -1.946 2.567 1.00 1.42 H new ATOM 0 HG13 ILE A 44 -3.228 -3.347 2.795 1.00 1.42 H new ATOM 0 HG21 ILE A 44 -3.965 -5.595 2.038 1.00 54.42 H new ATOM 0 HG22 ILE A 44 -5.547 -5.798 1.249 1.00 54.42 H new ATOM 0 HG23 ILE A 44 -4.211 -5.012 0.375 1.00 54.42 H new ATOM 0 HD11 ILE A 44 -2.342 -1.885 1.045 1.00 51.31 H new ATOM 0 HD12 ILE A 44 -2.817 -3.459 0.363 1.00 51.31 H new ATOM 0 HD13 ILE A 44 -3.862 -2.036 0.132 1.00 51.31 H new ATOM 731 N GLU A 45 -7.734 -4.251 -0.509 1.00 10.01 N ATOM 732 CA GLU A 45 -8.897 -5.073 -0.796 1.00 52.21 C ATOM 733 C GLU A 45 -8.556 -6.553 -0.669 1.00 31.52 C ATOM 734 O GLU A 45 -9.386 -7.359 -0.252 1.00 72.14 O ATOM 735 CB GLU A 45 -9.440 -4.764 -2.189 1.00 15.24 C ATOM 736 CG GLU A 45 -9.721 -3.288 -2.410 1.00 23.51 C ATOM 737 CD GLU A 45 -11.006 -3.041 -3.167 1.00 74.14 C ATOM 738 OE1 GLU A 45 -11.029 -3.226 -4.400 1.00 1.14 O ATOM 739 OE2 GLU A 45 -12.007 -2.660 -2.532 1.00 64.10 O ATOM 0 H GLU A 45 -7.277 -3.858 -1.332 1.00 10.01 H new ATOM 0 HA GLU A 45 -9.671 -4.838 -0.065 1.00 52.21 H new ATOM 0 HB2 GLU A 45 -8.723 -5.106 -2.935 1.00 15.24 H new ATOM 0 HB3 GLU A 45 -10.358 -5.329 -2.347 1.00 15.24 H new ATOM 0 HG2 GLU A 45 -9.771 -2.784 -1.445 1.00 23.51 H new ATOM 0 HG3 GLU A 45 -8.891 -2.843 -2.959 1.00 23.51 H new ATOM 746 N GLY A 46 -7.328 -6.904 -1.024 1.00 15.31 N ATOM 747 CA GLY A 46 -6.886 -8.275 -0.887 1.00 2.41 C ATOM 748 C GLY A 46 -5.616 -8.544 -1.656 1.00 64.23 C ATOM 749 O GLY A 46 -5.151 -7.697 -2.415 1.00 31.32 O ATOM 0 H GLY A 46 -6.631 -6.264 -1.404 1.00 15.31 H new ATOM 0 HA2 GLY A 46 -6.725 -8.499 0.167 1.00 2.41 H new ATOM 0 HA3 GLY A 46 -7.671 -8.945 -1.239 1.00 2.41 H new ATOM 753 N LYS A 47 -5.045 -9.719 -1.451 1.00 64.50 N ATOM 754 CA LYS A 47 -3.849 -10.128 -2.170 1.00 32.41 C ATOM 755 C LYS A 47 -4.119 -11.451 -2.868 1.00 41.52 C ATOM 756 O LYS A 47 -4.922 -12.251 -2.385 1.00 21.12 O ATOM 757 CB LYS A 47 -2.655 -10.251 -1.206 1.00 63.03 C ATOM 758 CG LYS A 47 -2.334 -8.946 -0.485 1.00 34.21 C ATOM 759 CD LYS A 47 -1.402 -9.144 0.704 1.00 13.40 C ATOM 760 CE LYS A 47 -2.096 -9.892 1.831 1.00 75.41 C ATOM 761 NZ LYS A 47 -1.322 -9.848 3.102 1.00 54.03 N ATOM 0 H LYS A 47 -5.393 -10.411 -0.788 1.00 64.50 H new ATOM 0 HA LYS A 47 -3.596 -9.374 -2.915 1.00 32.41 H new ATOM 0 HB2 LYS A 47 -2.869 -11.024 -0.468 1.00 63.03 H new ATOM 0 HB3 LYS A 47 -1.777 -10.577 -1.764 1.00 63.03 H new ATOM 0 HG2 LYS A 47 -1.876 -8.250 -1.188 1.00 34.21 H new ATOM 0 HG3 LYS A 47 -3.262 -8.488 -0.142 1.00 34.21 H new ATOM 0 HD2 LYS A 47 -0.518 -9.697 0.388 1.00 13.40 H new ATOM 0 HD3 LYS A 47 -1.059 -8.175 1.065 1.00 13.40 H new ATOM 0 HE2 LYS A 47 -3.084 -9.461 1.995 1.00 75.41 H new ATOM 0 HE3 LYS A 47 -2.246 -10.930 1.536 1.00 75.41 H new ATOM 0 HZ1 LYS A 47 -1.733 -10.518 3.782 1.00 54.03 H new ATOM 0 HZ2 LYS A 47 -0.332 -10.108 2.915 1.00 54.03 H new ATOM 0 HZ3 LYS A 47 -1.359 -8.887 3.498 1.00 54.03 H new ATOM 775 N ALA A 48 -3.483 -11.671 -4.011 1.00 12.35 N ATOM 776 CA ALA A 48 -3.665 -12.913 -4.749 1.00 5.31 C ATOM 777 C ALA A 48 -3.208 -14.097 -3.903 1.00 44.11 C ATOM 778 O ALA A 48 -2.398 -13.927 -2.996 1.00 74.22 O ATOM 779 CB ALA A 48 -2.902 -12.871 -6.064 1.00 63.13 C ATOM 0 H ALA A 48 -2.840 -11.009 -4.445 1.00 12.35 H new ATOM 0 HA ALA A 48 -4.725 -13.032 -4.974 1.00 5.31 H new ATOM 0 HB1 ALA A 48 -3.050 -13.808 -6.601 1.00 63.13 H new ATOM 0 HB2 ALA A 48 -3.268 -12.043 -6.671 1.00 63.13 H new ATOM 0 HB3 ALA A 48 -1.840 -12.732 -5.864 1.00 63.13 H new ATOM 785 N PRO A 49 -3.711 -15.314 -4.186 1.00 33.25 N ATOM 786 CA PRO A 49 -3.325 -16.522 -3.441 1.00 45.32 C ATOM 787 C PRO A 49 -1.826 -16.804 -3.523 1.00 63.01 C ATOM 788 O PRO A 49 -1.291 -17.603 -2.755 1.00 4.25 O ATOM 789 CB PRO A 49 -4.121 -17.644 -4.120 1.00 1.42 C ATOM 790 CG PRO A 49 -4.526 -17.089 -5.441 1.00 62.40 C ATOM 791 CD PRO A 49 -4.702 -15.613 -5.230 1.00 4.31 C ATOM 0 HA PRO A 49 -3.537 -16.422 -2.377 1.00 45.32 H new ATOM 0 HB2 PRO A 49 -3.514 -18.541 -4.239 1.00 1.42 H new ATOM 0 HB3 PRO A 49 -4.991 -17.924 -3.527 1.00 1.42 H new ATOM 0 HG2 PRO A 49 -3.767 -17.288 -6.198 1.00 62.40 H new ATOM 0 HG3 PRO A 49 -5.452 -17.547 -5.790 1.00 62.40 H new ATOM 0 HD2 PRO A 49 -4.511 -15.048 -6.143 1.00 4.31 H new ATOM 0 HD3 PRO A 49 -5.714 -15.368 -4.909 1.00 4.31 H new ATOM 799 N MET A 50 -1.155 -16.135 -4.452 1.00 42.13 N ATOM 800 CA MET A 50 0.287 -16.272 -4.612 1.00 11.23 C ATOM 801 C MET A 50 1.009 -15.189 -3.822 1.00 21.21 C ATOM 802 O MET A 50 2.234 -15.180 -3.737 1.00 73.40 O ATOM 803 CB MET A 50 0.674 -16.151 -6.088 1.00 20.10 C ATOM 804 CG MET A 50 -0.093 -17.082 -7.010 1.00 55.53 C ATOM 805 SD MET A 50 0.304 -16.806 -8.747 1.00 22.43 S ATOM 806 CE MET A 50 -0.906 -17.860 -9.538 1.00 23.33 C ATOM 0 H MET A 50 -1.590 -15.488 -5.110 1.00 42.13 H new ATOM 0 HA MET A 50 0.578 -17.254 -4.239 1.00 11.23 H new ATOM 0 HB2 MET A 50 0.512 -15.123 -6.411 1.00 20.10 H new ATOM 0 HB3 MET A 50 1.740 -16.353 -6.190 1.00 20.10 H new ATOM 0 HG2 MET A 50 0.132 -18.116 -6.748 1.00 55.53 H new ATOM 0 HG3 MET A 50 -1.163 -16.940 -6.857 1.00 55.53 H new ATOM 0 HE1 MET A 50 -0.790 -17.799 -10.620 1.00 23.33 H new ATOM 0 HE2 MET A 50 -0.758 -18.890 -9.214 1.00 23.33 H new ATOM 0 HE3 MET A 50 -1.909 -17.534 -9.262 1.00 23.33 H new ATOM 816 N GLY A 51 0.235 -14.268 -3.257 1.00 55.50 N ATOM 817 CA GLY A 51 0.801 -13.110 -2.591 1.00 11.42 C ATOM 818 C GLY A 51 1.125 -12.007 -3.580 1.00 33.35 C ATOM 819 O GLY A 51 1.424 -10.879 -3.195 1.00 13.33 O ATOM 0 H GLY A 51 -0.784 -14.305 -3.249 1.00 55.50 H new ATOM 0 HA2 GLY A 51 0.098 -12.738 -1.845 1.00 11.42 H new ATOM 0 HA3 GLY A 51 1.706 -13.401 -2.058 1.00 11.42 H new ATOM 823 N ASP A 52 1.049 -12.350 -4.859 1.00 60.34 N ATOM 824 CA ASP A 52 1.318 -11.420 -5.945 1.00 45.50 C ATOM 825 C ASP A 52 0.398 -11.745 -7.115 1.00 43.13 C ATOM 826 O ASP A 52 0.238 -12.916 -7.470 1.00 43.31 O ATOM 827 CB ASP A 52 2.785 -11.511 -6.384 1.00 32.34 C ATOM 828 CG ASP A 52 3.115 -10.581 -7.538 1.00 51.20 C ATOM 829 OD1 ASP A 52 3.315 -9.375 -7.296 1.00 51.25 O ATOM 830 OD2 ASP A 52 3.197 -11.056 -8.689 1.00 52.20 O ATOM 0 H ASP A 52 0.797 -13.287 -5.173 1.00 60.34 H new ATOM 0 HA ASP A 52 1.131 -10.403 -5.602 1.00 45.50 H new ATOM 0 HB2 ASP A 52 3.428 -11.273 -5.537 1.00 32.34 H new ATOM 0 HB3 ASP A 52 3.009 -12.537 -6.675 1.00 32.34 H new ATOM 835 N PRO A 53 -0.253 -10.733 -7.707 1.00 20.32 N ATOM 836 CA PRO A 53 -0.124 -9.339 -7.286 1.00 52.22 C ATOM 837 C PRO A 53 -1.062 -8.977 -6.130 1.00 50.01 C ATOM 838 O PRO A 53 -1.719 -9.847 -5.548 1.00 20.45 O ATOM 839 CB PRO A 53 -0.507 -8.578 -8.554 1.00 22.23 C ATOM 840 CG PRO A 53 -1.504 -9.455 -9.238 1.00 42.30 C ATOM 841 CD PRO A 53 -1.168 -10.877 -8.856 1.00 11.31 C ATOM 0 HA PRO A 53 0.871 -9.110 -6.906 1.00 52.22 H new ATOM 0 HB2 PRO A 53 -0.934 -7.604 -8.317 1.00 22.23 H new ATOM 0 HB3 PRO A 53 0.363 -8.400 -9.186 1.00 22.23 H new ATOM 0 HG2 PRO A 53 -2.518 -9.201 -8.930 1.00 42.30 H new ATOM 0 HG3 PRO A 53 -1.457 -9.324 -10.319 1.00 42.30 H new ATOM 0 HD2 PRO A 53 -2.062 -11.439 -8.586 1.00 11.31 H new ATOM 0 HD3 PRO A 53 -0.693 -11.410 -9.680 1.00 11.31 H new ATOM 849 N ILE A 54 -1.116 -7.695 -5.799 1.00 60.24 N ATOM 850 CA ILE A 54 -1.958 -7.214 -4.712 1.00 44.30 C ATOM 851 C ILE A 54 -3.063 -6.316 -5.262 1.00 25.52 C ATOM 852 O ILE A 54 -2.841 -5.557 -6.207 1.00 14.44 O ATOM 853 CB ILE A 54 -1.126 -6.437 -3.665 1.00 72.13 C ATOM 854 CG1 ILE A 54 0.031 -7.305 -3.160 1.00 41.15 C ATOM 855 CG2 ILE A 54 -2.002 -5.990 -2.499 1.00 1.14 C ATOM 856 CD1 ILE A 54 0.941 -6.599 -2.178 1.00 13.44 C ATOM 0 H ILE A 54 -0.583 -6.964 -6.271 1.00 60.24 H new ATOM 0 HA ILE A 54 -2.404 -8.080 -4.223 1.00 44.30 H new ATOM 0 HB ILE A 54 -0.717 -5.547 -4.143 1.00 72.13 H new ATOM 0 HG12 ILE A 54 -0.377 -8.198 -2.686 1.00 41.15 H new ATOM 0 HG13 ILE A 54 0.622 -7.639 -4.013 1.00 41.15 H new ATOM 0 HG21 ILE A 54 -1.395 -5.446 -1.776 1.00 1.14 H new ATOM 0 HG22 ILE A 54 -2.796 -5.341 -2.868 1.00 1.14 H new ATOM 0 HG23 ILE A 54 -2.442 -6.864 -2.019 1.00 1.14 H new ATOM 0 HD11 ILE A 54 1.735 -7.277 -1.866 1.00 13.44 H new ATOM 0 HD12 ILE A 54 1.379 -5.722 -2.654 1.00 13.44 H new ATOM 0 HD13 ILE A 54 0.365 -6.289 -1.306 1.00 13.44 H new ATOM 868 N ALA A 55 -4.254 -6.420 -4.688 1.00 14.33 N ATOM 869 CA ALA A 55 -5.384 -5.603 -5.105 1.00 5.21 C ATOM 870 C ALA A 55 -5.636 -4.490 -4.096 1.00 63.11 C ATOM 871 O ALA A 55 -5.974 -4.746 -2.935 1.00 75.52 O ATOM 872 CB ALA A 55 -6.626 -6.463 -5.271 1.00 12.51 C ATOM 0 H ALA A 55 -4.463 -7.067 -3.927 1.00 14.33 H new ATOM 0 HA ALA A 55 -5.148 -5.149 -6.067 1.00 5.21 H new ATOM 0 HB1 ALA A 55 -7.462 -5.838 -5.583 1.00 12.51 H new ATOM 0 HB2 ALA A 55 -6.442 -7.226 -6.027 1.00 12.51 H new ATOM 0 HB3 ALA A 55 -6.866 -6.943 -4.322 1.00 12.51 H new ATOM 878 N LEU A 56 -5.460 -3.258 -4.538 1.00 30.14 N ATOM 879 CA LEU A 56 -5.625 -2.101 -3.674 1.00 24.44 C ATOM 880 C LEU A 56 -6.824 -1.280 -4.115 1.00 44.34 C ATOM 881 O LEU A 56 -7.245 -1.353 -5.264 1.00 31.20 O ATOM 882 CB LEU A 56 -4.380 -1.198 -3.711 1.00 21.30 C ATOM 883 CG LEU A 56 -3.076 -1.791 -3.165 1.00 44.03 C ATOM 884 CD1 LEU A 56 -2.488 -2.814 -4.122 1.00 71.52 C ATOM 885 CD2 LEU A 56 -2.070 -0.684 -2.904 1.00 3.12 C ATOM 0 H LEU A 56 -5.201 -3.031 -5.498 1.00 30.14 H new ATOM 0 HA LEU A 56 -5.774 -2.471 -2.660 1.00 24.44 H new ATOM 0 HB2 LEU A 56 -4.209 -0.898 -4.745 1.00 21.30 H new ATOM 0 HB3 LEU A 56 -4.602 -0.291 -3.148 1.00 21.30 H new ATOM 0 HG LEU A 56 -3.305 -2.300 -2.229 1.00 44.03 H new ATOM 0 HD11 LEU A 56 -1.564 -3.214 -3.704 1.00 71.52 H new ATOM 0 HD12 LEU A 56 -3.201 -3.625 -4.270 1.00 71.52 H new ATOM 0 HD13 LEU A 56 -2.276 -2.337 -5.079 1.00 71.52 H new ATOM 0 HD21 LEU A 56 -1.147 -1.115 -2.516 1.00 3.12 H new ATOM 0 HD22 LEU A 56 -1.861 -0.156 -3.834 1.00 3.12 H new ATOM 0 HD23 LEU A 56 -2.479 0.014 -2.174 1.00 3.12 H new ATOM 897 N ARG A 57 -7.379 -0.514 -3.195 1.00 4.24 N ATOM 898 CA ARG A 57 -8.346 0.506 -3.539 1.00 1.24 C ATOM 899 C ARG A 57 -7.788 1.852 -3.110 1.00 21.35 C ATOM 900 O ARG A 57 -7.714 2.158 -1.917 1.00 61.44 O ATOM 901 CB ARG A 57 -9.701 0.258 -2.876 1.00 51.34 C ATOM 902 CG ARG A 57 -10.806 1.144 -3.428 1.00 11.35 C ATOM 903 CD ARG A 57 -11.971 1.265 -2.463 1.00 2.45 C ATOM 904 NE ARG A 57 -12.580 -0.025 -2.144 1.00 14.01 N ATOM 905 CZ ARG A 57 -13.746 -0.157 -1.519 1.00 40.04 C ATOM 906 NH1 ARG A 57 -14.466 0.918 -1.212 1.00 64.23 N ATOM 907 NH2 ARG A 57 -14.206 -1.367 -1.230 1.00 55.31 N ATOM 0 H ARG A 57 -7.174 -0.581 -2.198 1.00 4.24 H new ATOM 0 HA ARG A 57 -8.515 0.485 -4.616 1.00 1.24 H new ATOM 0 HB2 ARG A 57 -9.979 -0.787 -3.012 1.00 51.34 H new ATOM 0 HB3 ARG A 57 -9.610 0.427 -1.803 1.00 51.34 H new ATOM 0 HG2 ARG A 57 -10.405 2.135 -3.639 1.00 11.35 H new ATOM 0 HG3 ARG A 57 -11.160 0.735 -4.375 1.00 11.35 H new ATOM 0 HD2 ARG A 57 -11.627 1.736 -1.542 1.00 2.45 H new ATOM 0 HD3 ARG A 57 -12.727 1.922 -2.894 1.00 2.45 H new ATOM 0 HE ARG A 57 -12.082 -0.872 -2.416 1.00 14.01 H new ATOM 0 HH11 ARG A 57 -14.124 1.848 -1.456 1.00 64.23 H new ATOM 0 HH12 ARG A 57 -15.360 0.813 -0.733 1.00 64.23 H new ATOM 0 HH21 ARG A 57 -13.666 -2.193 -1.487 1.00 55.31 H new ATOM 0 HH22 ARG A 57 -15.100 -1.472 -0.751 1.00 55.31 H new ATOM 921 N LEU A 58 -7.371 2.630 -4.084 1.00 0.13 N ATOM 922 CA LEU A 58 -6.691 3.880 -3.828 1.00 71.10 C ATOM 923 C LEU A 58 -7.206 4.955 -4.758 1.00 54.25 C ATOM 924 O LEU A 58 -7.596 4.673 -5.893 1.00 2.52 O ATOM 925 CB LEU A 58 -5.189 3.696 -4.026 1.00 42.45 C ATOM 926 CG LEU A 58 -4.340 4.962 -3.909 1.00 42.21 C ATOM 927 CD1 LEU A 58 -4.303 5.456 -2.474 1.00 1.13 C ATOM 928 CD2 LEU A 58 -2.938 4.702 -4.426 1.00 73.31 C ATOM 0 H LEU A 58 -7.493 2.415 -5.073 1.00 0.13 H new ATOM 0 HA LEU A 58 -6.884 4.186 -2.800 1.00 71.10 H new ATOM 0 HB2 LEU A 58 -4.831 2.973 -3.293 1.00 42.45 H new ATOM 0 HB3 LEU A 58 -5.023 3.260 -5.011 1.00 42.45 H new ATOM 0 HG LEU A 58 -4.795 5.742 -4.520 1.00 42.21 H new ATOM 0 HD11 LEU A 58 -3.693 6.358 -2.415 1.00 1.13 H new ATOM 0 HD12 LEU A 58 -5.316 5.681 -2.140 1.00 1.13 H new ATOM 0 HD13 LEU A 58 -3.873 4.685 -1.835 1.00 1.13 H new ATOM 0 HD21 LEU A 58 -2.343 5.611 -4.337 1.00 73.31 H new ATOM 0 HD22 LEU A 58 -2.476 3.907 -3.840 1.00 73.31 H new ATOM 0 HD23 LEU A 58 -2.986 4.400 -5.472 1.00 73.31 H new ATOM 940 N ARG A 59 -7.232 6.178 -4.252 1.00 22.35 N ATOM 941 CA ARG A 59 -7.630 7.348 -5.028 1.00 32.15 C ATOM 942 C ARG A 59 -9.110 7.259 -5.420 1.00 33.33 C ATOM 943 O ARG A 59 -9.604 8.027 -6.244 1.00 23.14 O ATOM 944 CB ARG A 59 -6.728 7.472 -6.264 1.00 41.34 C ATOM 945 CG ARG A 59 -6.818 8.800 -6.995 1.00 40.22 C ATOM 946 CD ARG A 59 -5.842 8.836 -8.156 1.00 30.40 C ATOM 947 NE ARG A 59 -5.979 10.042 -8.967 1.00 2.22 N ATOM 948 CZ ARG A 59 -5.710 10.085 -10.269 1.00 42.33 C ATOM 949 NH1 ARG A 59 -5.330 8.985 -10.905 1.00 22.11 N ATOM 950 NH2 ARG A 59 -5.840 11.222 -10.938 1.00 71.24 N ATOM 0 H ARG A 59 -6.977 6.391 -3.288 1.00 22.35 H new ATOM 0 HA ARG A 59 -7.510 8.244 -4.419 1.00 32.15 H new ATOM 0 HB2 ARG A 59 -5.694 7.313 -5.958 1.00 41.34 H new ATOM 0 HB3 ARG A 59 -6.981 6.673 -6.961 1.00 41.34 H new ATOM 0 HG2 ARG A 59 -7.833 8.952 -7.361 1.00 40.22 H new ATOM 0 HG3 ARG A 59 -6.602 9.616 -6.306 1.00 40.22 H new ATOM 0 HD2 ARG A 59 -4.824 8.775 -7.772 1.00 30.40 H new ATOM 0 HD3 ARG A 59 -5.999 7.960 -8.785 1.00 30.40 H new ATOM 0 HE ARG A 59 -6.298 10.897 -8.511 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.244 8.105 -10.396 1.00 22.11 H new ATOM 0 HH12 ARG A 59 -5.124 9.019 -11.903 1.00 22.11 H new ATOM 0 HH21 ARG A 59 -6.147 12.066 -10.454 1.00 71.24 H new ATOM 0 HH22 ARG A 59 -5.633 11.253 -11.936 1.00 71.24 H new ATOM 964 N GLY A 60 -9.819 6.323 -4.800 1.00 4.02 N ATOM 965 CA GLY A 60 -11.232 6.163 -5.062 1.00 12.34 C ATOM 966 C GLY A 60 -11.553 4.908 -5.853 1.00 2.41 C ATOM 967 O GLY A 60 -12.718 4.516 -5.952 1.00 61.03 O ATOM 0 H GLY A 60 -9.435 5.670 -4.117 1.00 4.02 H new ATOM 0 HA2 GLY A 60 -11.770 6.136 -4.115 1.00 12.34 H new ATOM 0 HA3 GLY A 60 -11.595 7.033 -5.610 1.00 12.34 H new ATOM 971 N TYR A 61 -10.538 4.261 -6.412 1.00 43.43 N ATOM 972 CA TYR A 61 -10.768 3.082 -7.239 1.00 51.30 C ATOM 973 C TYR A 61 -9.817 1.948 -6.908 1.00 11.54 C ATOM 974 O TYR A 61 -8.729 2.154 -6.378 1.00 33.03 O ATOM 975 CB TYR A 61 -10.655 3.420 -8.728 1.00 30.03 C ATOM 976 CG TYR A 61 -9.408 4.197 -9.103 1.00 34.42 C ATOM 977 CD1 TYR A 61 -8.221 3.538 -9.400 1.00 3.14 C ATOM 978 CD2 TYR A 61 -9.420 5.586 -9.163 1.00 0.04 C ATOM 979 CE1 TYR A 61 -7.081 4.240 -9.741 1.00 45.25 C ATOM 980 CE2 TYR A 61 -8.283 6.295 -9.505 1.00 11.42 C ATOM 981 CZ TYR A 61 -7.116 5.618 -9.793 1.00 4.21 C ATOM 982 OH TYR A 61 -5.980 6.320 -10.134 1.00 53.14 O ATOM 0 H TYR A 61 -9.559 4.528 -6.310 1.00 43.43 H new ATOM 0 HA TYR A 61 -11.782 2.750 -7.018 1.00 51.30 H new ATOM 0 HB2 TYR A 61 -10.676 2.493 -9.301 1.00 30.03 H new ATOM 0 HB3 TYR A 61 -11.531 3.998 -9.024 1.00 30.03 H new ATOM 0 HD1 TYR A 61 -8.189 2.459 -9.364 1.00 3.14 H new ATOM 0 HD2 TYR A 61 -10.332 6.120 -8.939 1.00 0.04 H new ATOM 0 HE1 TYR A 61 -6.166 3.712 -9.966 1.00 45.25 H new ATOM 0 HE2 TYR A 61 -8.309 7.374 -9.546 1.00 11.42 H new ATOM 0 HH TYR A 61 -5.953 6.446 -11.105 1.00 53.14 H new ATOM 992 N SER A 62 -10.254 0.748 -7.223 1.00 51.12 N ATOM 993 CA SER A 62 -9.445 -0.436 -7.070 1.00 42.03 C ATOM 994 C SER A 62 -8.463 -0.581 -8.231 1.00 30.01 C ATOM 995 O SER A 62 -8.784 -0.258 -9.378 1.00 30.14 O ATOM 996 CB SER A 62 -10.351 -1.657 -7.007 1.00 74.50 C ATOM 997 OG SER A 62 -11.544 -1.376 -6.296 1.00 35.01 O ATOM 0 H SER A 62 -11.187 0.568 -7.595 1.00 51.12 H new ATOM 0 HA SER A 62 -8.871 -0.351 -6.148 1.00 42.03 H new ATOM 0 HB2 SER A 62 -10.596 -1.984 -8.018 1.00 74.50 H new ATOM 0 HB3 SER A 62 -9.823 -2.480 -6.525 1.00 74.50 H new ATOM 0 HG SER A 62 -11.554 -1.887 -5.460 1.00 35.01 H new ATOM 1003 N LEU A 63 -7.270 -1.063 -7.920 1.00 4.00 N ATOM 1004 CA LEU A 63 -6.239 -1.316 -8.914 1.00 23.41 C ATOM 1005 C LEU A 63 -5.255 -2.340 -8.367 1.00 22.11 C ATOM 1006 O LEU A 63 -5.068 -2.438 -7.155 1.00 72.13 O ATOM 1007 CB LEU A 63 -5.497 -0.025 -9.297 1.00 55.13 C ATOM 1008 CG LEU A 63 -4.612 0.603 -8.206 1.00 1.44 C ATOM 1009 CD1 LEU A 63 -3.709 1.662 -8.810 1.00 25.34 C ATOM 1010 CD2 LEU A 63 -5.449 1.215 -7.091 1.00 65.02 C ATOM 0 H LEU A 63 -6.988 -1.291 -6.966 1.00 4.00 H new ATOM 0 HA LEU A 63 -6.716 -1.703 -9.815 1.00 23.41 H new ATOM 0 HB2 LEU A 63 -4.872 -0.234 -10.165 1.00 55.13 H new ATOM 0 HB3 LEU A 63 -6.235 0.715 -9.606 1.00 55.13 H new ATOM 0 HG LEU A 63 -4.003 -0.192 -7.775 1.00 1.44 H new ATOM 0 HD11 LEU A 63 -3.088 2.099 -8.028 1.00 25.34 H new ATOM 0 HD12 LEU A 63 -3.072 1.207 -9.568 1.00 25.34 H new ATOM 0 HD13 LEU A 63 -4.318 2.441 -9.268 1.00 25.34 H new ATOM 0 HD21 LEU A 63 -4.791 1.649 -6.338 1.00 65.02 H new ATOM 0 HD22 LEU A 63 -6.091 1.993 -7.503 1.00 65.02 H new ATOM 0 HD23 LEU A 63 -6.065 0.442 -6.632 1.00 65.02 H new ATOM 1022 N SER A 64 -4.638 -3.108 -9.247 1.00 65.23 N ATOM 1023 CA SER A 64 -3.720 -4.142 -8.814 1.00 54.43 C ATOM 1024 C SER A 64 -2.296 -3.826 -9.255 1.00 13.12 C ATOM 1025 O SER A 64 -2.056 -3.438 -10.400 1.00 21.02 O ATOM 1026 CB SER A 64 -4.157 -5.503 -9.361 1.00 61.32 C ATOM 1027 OG SER A 64 -3.377 -6.550 -8.811 1.00 64.02 O ATOM 0 H SER A 64 -4.755 -3.035 -10.258 1.00 65.23 H new ATOM 0 HA SER A 64 -3.738 -4.179 -7.725 1.00 54.43 H new ATOM 0 HB2 SER A 64 -5.209 -5.670 -9.130 1.00 61.32 H new ATOM 0 HB3 SER A 64 -4.064 -5.508 -10.447 1.00 61.32 H new ATOM 0 HG SER A 64 -3.095 -6.307 -7.904 1.00 64.02 H new ATOM 1033 N LEU A 65 -1.361 -3.984 -8.331 1.00 44.22 N ATOM 1034 CA LEU A 65 0.047 -3.784 -8.614 1.00 64.22 C ATOM 1035 C LEU A 65 0.854 -4.945 -8.049 1.00 0.43 C ATOM 1036 O LEU A 65 0.337 -5.741 -7.262 1.00 30.10 O ATOM 1037 CB LEU A 65 0.525 -2.434 -8.053 1.00 75.14 C ATOM 1038 CG LEU A 65 0.106 -2.110 -6.611 1.00 63.11 C ATOM 1039 CD1 LEU A 65 0.949 -2.878 -5.601 1.00 20.33 C ATOM 1040 CD2 LEU A 65 0.208 -0.613 -6.360 1.00 11.13 C ATOM 0 H LEU A 65 -1.559 -4.254 -7.367 1.00 44.22 H new ATOM 0 HA LEU A 65 0.198 -3.758 -9.693 1.00 64.22 H new ATOM 0 HB2 LEU A 65 1.613 -2.407 -8.107 1.00 75.14 H new ATOM 0 HB3 LEU A 65 0.153 -1.642 -8.703 1.00 75.14 H new ATOM 0 HG LEU A 65 -0.930 -2.422 -6.483 1.00 63.11 H new ATOM 0 HD11 LEU A 65 0.626 -2.625 -4.591 1.00 20.33 H new ATOM 0 HD12 LEU A 65 0.826 -3.949 -5.764 1.00 20.33 H new ATOM 0 HD13 LEU A 65 1.998 -2.610 -5.724 1.00 20.33 H new ATOM 0 HD21 LEU A 65 -0.091 -0.395 -5.335 1.00 11.13 H new ATOM 0 HD22 LEU A 65 1.237 -0.287 -6.515 1.00 11.13 H new ATOM 0 HD23 LEU A 65 -0.448 -0.083 -7.050 1.00 11.13 H new ATOM 1052 N ARG A 66 2.112 -5.046 -8.448 1.00 3.42 N ATOM 1053 CA ARG A 66 2.947 -6.165 -8.039 1.00 71.32 C ATOM 1054 C ARG A 66 3.452 -6.001 -6.608 1.00 40.34 C ATOM 1055 O ARG A 66 3.679 -4.884 -6.134 1.00 32.10 O ATOM 1056 CB ARG A 66 4.116 -6.337 -9.009 1.00 34.41 C ATOM 1057 CG ARG A 66 3.686 -6.789 -10.399 1.00 13.33 C ATOM 1058 CD ARG A 66 3.039 -8.169 -10.368 1.00 71.32 C ATOM 1059 NE ARG A 66 2.488 -8.542 -11.672 1.00 43.35 N ATOM 1060 CZ ARG A 66 2.141 -9.784 -12.020 1.00 1.20 C ATOM 1061 NH1 ARG A 66 2.312 -10.802 -11.185 1.00 31.20 N ATOM 1062 NH2 ARG A 66 1.616 -10.007 -13.216 1.00 1.54 N ATOM 0 H ARG A 66 2.577 -4.369 -9.053 1.00 3.42 H new ATOM 0 HA ARG A 66 2.333 -7.065 -8.065 1.00 71.32 H new ATOM 0 HB2 ARG A 66 4.652 -5.392 -9.092 1.00 34.41 H new ATOM 0 HB3 ARG A 66 4.815 -7.065 -8.598 1.00 34.41 H new ATOM 0 HG2 ARG A 66 2.984 -6.067 -10.815 1.00 13.33 H new ATOM 0 HG3 ARG A 66 4.553 -6.808 -11.060 1.00 13.33 H new ATOM 0 HD2 ARG A 66 3.777 -8.909 -10.060 1.00 71.32 H new ATOM 0 HD3 ARG A 66 2.245 -8.181 -9.621 1.00 71.32 H new ATOM 0 HE ARG A 66 2.360 -7.802 -12.363 1.00 43.35 H new ATOM 0 HH11 ARG A 66 2.714 -10.642 -10.261 1.00 31.20 H new ATOM 0 HH12 ARG A 66 2.041 -11.744 -11.467 1.00 31.20 H new ATOM 0 HH21 ARG A 66 1.479 -9.232 -13.865 1.00 1.54 H new ATOM 0 HH22 ARG A 66 1.349 -10.953 -13.487 1.00 1.54 H new ATOM 1076 N LYS A 67 3.629 -7.130 -5.940 1.00 64.02 N ATOM 1077 CA LYS A 67 4.033 -7.172 -4.539 1.00 62.13 C ATOM 1078 C LYS A 67 5.414 -6.543 -4.338 1.00 14.03 C ATOM 1079 O LYS A 67 5.667 -5.890 -3.324 1.00 3.41 O ATOM 1080 CB LYS A 67 4.010 -8.633 -4.062 1.00 51.11 C ATOM 1081 CG LYS A 67 4.270 -8.834 -2.576 1.00 1.34 C ATOM 1082 CD LYS A 67 5.737 -9.095 -2.285 1.00 54.15 C ATOM 1083 CE LYS A 67 5.947 -9.496 -0.835 1.00 11.32 C ATOM 1084 NZ LYS A 67 7.356 -9.877 -0.558 1.00 32.32 N ATOM 0 H LYS A 67 3.496 -8.052 -6.356 1.00 64.02 H new ATOM 0 HA LYS A 67 3.333 -6.586 -3.944 1.00 62.13 H new ATOM 0 HB2 LYS A 67 3.038 -9.063 -4.306 1.00 51.11 H new ATOM 0 HB3 LYS A 67 4.757 -9.194 -4.624 1.00 51.11 H new ATOM 0 HG2 LYS A 67 3.944 -7.950 -2.028 1.00 1.34 H new ATOM 0 HG3 LYS A 67 3.674 -9.672 -2.214 1.00 1.34 H new ATOM 0 HD2 LYS A 67 6.106 -9.884 -2.940 1.00 54.15 H new ATOM 0 HD3 LYS A 67 6.319 -8.200 -2.505 1.00 54.15 H new ATOM 0 HE2 LYS A 67 5.662 -8.668 -0.186 1.00 11.32 H new ATOM 0 HE3 LYS A 67 5.292 -10.332 -0.592 1.00 11.32 H new ATOM 0 HZ1 LYS A 67 7.453 -10.143 0.443 1.00 32.32 H new ATOM 0 HZ2 LYS A 67 7.622 -10.684 -1.158 1.00 32.32 H new ATOM 0 HZ3 LYS A 67 7.980 -9.071 -0.764 1.00 32.32 H new ATOM 1098 N SER A 68 6.299 -6.727 -5.308 1.00 54.34 N ATOM 1099 CA SER A 68 7.637 -6.158 -5.239 1.00 35.03 C ATOM 1100 C SER A 68 7.608 -4.632 -5.337 1.00 14.54 C ATOM 1101 O SER A 68 8.451 -3.954 -4.753 1.00 32.12 O ATOM 1102 CB SER A 68 8.510 -6.753 -6.340 1.00 73.05 C ATOM 1103 OG SER A 68 8.622 -8.159 -6.183 1.00 34.43 O ATOM 0 H SER A 68 6.114 -7.267 -6.153 1.00 54.34 H new ATOM 0 HA SER A 68 8.064 -6.411 -4.268 1.00 35.03 H new ATOM 0 HB2 SER A 68 8.081 -6.524 -7.316 1.00 73.05 H new ATOM 0 HB3 SER A 68 9.500 -6.298 -6.312 1.00 73.05 H new ATOM 0 HG SER A 68 9.184 -8.524 -6.898 1.00 34.43 H new ATOM 1109 N GLU A 69 6.628 -4.097 -6.057 1.00 33.33 N ATOM 1110 CA GLU A 69 6.460 -2.651 -6.165 1.00 54.40 C ATOM 1111 C GLU A 69 5.821 -2.110 -4.895 1.00 42.24 C ATOM 1112 O GLU A 69 6.101 -0.992 -4.469 1.00 3.13 O ATOM 1113 CB GLU A 69 5.605 -2.301 -7.383 1.00 32.35 C ATOM 1114 CG GLU A 69 6.226 -2.720 -8.706 1.00 14.05 C ATOM 1115 CD GLU A 69 5.324 -2.432 -9.885 1.00 3.13 C ATOM 1116 OE1 GLU A 69 5.351 -1.297 -10.406 1.00 41.45 O ATOM 1117 OE2 GLU A 69 4.581 -3.343 -10.304 1.00 61.54 O ATOM 0 H GLU A 69 5.938 -4.642 -6.574 1.00 33.33 H new ATOM 0 HA GLU A 69 7.440 -2.191 -6.292 1.00 54.40 H new ATOM 0 HB2 GLU A 69 4.631 -2.779 -7.281 1.00 32.35 H new ATOM 0 HB3 GLU A 69 5.432 -1.225 -7.397 1.00 32.35 H new ATOM 0 HG2 GLU A 69 7.173 -2.198 -8.841 1.00 14.05 H new ATOM 0 HG3 GLU A 69 6.451 -3.786 -8.677 1.00 14.05 H new ATOM 1124 N ALA A 70 4.977 -2.930 -4.279 1.00 71.21 N ATOM 1125 CA ALA A 70 4.368 -2.595 -2.999 1.00 72.04 C ATOM 1126 C ALA A 70 5.429 -2.513 -1.900 1.00 21.42 C ATOM 1127 O ALA A 70 5.214 -1.906 -0.853 1.00 62.24 O ATOM 1128 CB ALA A 70 3.307 -3.618 -2.641 1.00 31.45 C ATOM 0 H ALA A 70 4.698 -3.838 -4.650 1.00 71.21 H new ATOM 0 HA ALA A 70 3.894 -1.617 -3.086 1.00 72.04 H new ATOM 0 HB1 ALA A 70 2.859 -3.357 -1.682 1.00 31.45 H new ATOM 0 HB2 ALA A 70 2.536 -3.627 -3.411 1.00 31.45 H new ATOM 0 HB3 ALA A 70 3.763 -4.606 -2.572 1.00 31.45 H new ATOM 1134 N LYS A 71 6.563 -3.159 -2.141 1.00 3.02 N ATOM 1135 CA LYS A 71 7.693 -3.112 -1.221 1.00 35.00 C ATOM 1136 C LYS A 71 8.324 -1.717 -1.220 1.00 33.25 C ATOM 1137 O LYS A 71 8.840 -1.258 -0.203 1.00 73.23 O ATOM 1138 CB LYS A 71 8.719 -4.195 -1.607 1.00 33.44 C ATOM 1139 CG LYS A 71 10.004 -4.194 -0.781 1.00 3.51 C ATOM 1140 CD LYS A 71 11.044 -3.240 -1.352 1.00 25.51 C ATOM 1141 CE LYS A 71 11.521 -3.688 -2.725 1.00 34.52 C ATOM 1142 NZ LYS A 71 12.343 -2.649 -3.395 1.00 0.51 N ATOM 0 H LYS A 71 6.725 -3.726 -2.973 1.00 3.02 H new ATOM 0 HA LYS A 71 7.345 -3.314 -0.208 1.00 35.00 H new ATOM 0 HB2 LYS A 71 8.245 -5.172 -1.513 1.00 33.44 H new ATOM 0 HB3 LYS A 71 8.981 -4.068 -2.657 1.00 33.44 H new ATOM 0 HG2 LYS A 71 9.775 -3.910 0.246 1.00 3.51 H new ATOM 0 HG3 LYS A 71 10.416 -5.203 -0.748 1.00 3.51 H new ATOM 0 HD2 LYS A 71 10.620 -2.238 -1.423 1.00 25.51 H new ATOM 0 HD3 LYS A 71 11.894 -3.179 -0.673 1.00 25.51 H new ATOM 0 HE2 LYS A 71 12.105 -4.603 -2.625 1.00 34.52 H new ATOM 0 HE3 LYS A 71 10.659 -3.926 -3.348 1.00 34.52 H new ATOM 0 HZ1 LYS A 71 12.853 -3.073 -4.196 1.00 0.51 H new ATOM 0 HZ2 LYS A 71 11.725 -1.888 -3.742 1.00 0.51 H new ATOM 0 HZ3 LYS A 71 13.028 -2.258 -2.717 1.00 0.51 H new ATOM 1156 N ASP A 72 8.250 -1.042 -2.363 1.00 61.45 N ATOM 1157 CA ASP A 72 8.842 0.286 -2.525 1.00 24.34 C ATOM 1158 C ASP A 72 7.949 1.372 -1.924 1.00 73.24 C ATOM 1159 O ASP A 72 8.256 2.563 -2.006 1.00 41.31 O ATOM 1160 CB ASP A 72 9.097 0.570 -4.009 1.00 43.00 C ATOM 1161 CG ASP A 72 10.470 0.116 -4.468 1.00 63.24 C ATOM 1162 OD1 ASP A 72 10.657 -1.098 -4.707 1.00 4.12 O ATOM 1163 OD2 ASP A 72 11.373 0.970 -4.601 1.00 63.11 O ATOM 0 H ASP A 72 7.782 -1.395 -3.198 1.00 61.45 H new ATOM 0 HA ASP A 72 9.791 0.300 -1.989 1.00 24.34 H new ATOM 0 HB2 ASP A 72 8.335 0.069 -4.606 1.00 43.00 H new ATOM 0 HB3 ASP A 72 8.993 1.639 -4.192 1.00 43.00 H new ATOM 1168 N ILE A 73 6.846 0.950 -1.323 1.00 21.42 N ATOM 1169 CA ILE A 73 5.939 1.862 -0.645 1.00 64.52 C ATOM 1170 C ILE A 73 5.904 1.543 0.845 1.00 50.34 C ATOM 1171 O ILE A 73 5.469 0.461 1.245 1.00 63.43 O ATOM 1172 CB ILE A 73 4.503 1.767 -1.214 1.00 25.05 C ATOM 1173 CG1 ILE A 73 4.512 1.975 -2.731 1.00 74.50 C ATOM 1174 CG2 ILE A 73 3.598 2.791 -0.539 1.00 12.14 C ATOM 1175 CD1 ILE A 73 3.161 1.770 -3.381 1.00 12.42 C ATOM 0 H ILE A 73 6.557 -0.028 -1.292 1.00 21.42 H new ATOM 0 HA ILE A 73 6.308 2.875 -0.807 1.00 64.52 H new ATOM 0 HB ILE A 73 4.113 0.770 -1.007 1.00 25.05 H new ATOM 0 HG12 ILE A 73 4.860 2.985 -2.948 1.00 74.50 H new ATOM 0 HG13 ILE A 73 5.229 1.287 -3.179 1.00 74.50 H new ATOM 0 HG21 ILE A 73 2.591 2.713 -0.949 1.00 12.14 H new ATOM 0 HG22 ILE A 73 3.569 2.600 0.534 1.00 12.14 H new ATOM 0 HG23 ILE A 73 3.986 3.794 -0.718 1.00 12.14 H new ATOM 0 HD11 ILE A 73 3.245 1.934 -4.455 1.00 12.42 H new ATOM 0 HD12 ILE A 73 2.819 0.752 -3.195 1.00 12.42 H new ATOM 0 HD13 ILE A 73 2.444 2.476 -2.961 1.00 12.42 H new ATOM 1187 N LEU A 74 6.376 2.478 1.658 1.00 50.45 N ATOM 1188 CA LEU A 74 6.396 2.294 3.101 1.00 71.31 C ATOM 1189 C LEU A 74 5.151 2.911 3.724 1.00 21.22 C ATOM 1190 O LEU A 74 4.892 4.109 3.571 1.00 4.21 O ATOM 1191 CB LEU A 74 7.657 2.919 3.698 1.00 23.32 C ATOM 1192 CG LEU A 74 8.972 2.289 3.231 1.00 32.53 C ATOM 1193 CD1 LEU A 74 10.155 3.005 3.860 1.00 42.14 C ATOM 1194 CD2 LEU A 74 9.003 0.805 3.575 1.00 10.22 C ATOM 0 H LEU A 74 6.750 3.372 1.342 1.00 50.45 H new ATOM 0 HA LEU A 74 6.403 1.226 3.319 1.00 71.31 H new ATOM 0 HB2 LEU A 74 7.671 3.980 3.450 1.00 23.32 H new ATOM 0 HB3 LEU A 74 7.602 2.846 4.784 1.00 23.32 H new ATOM 0 HG LEU A 74 9.041 2.393 2.148 1.00 32.53 H new ATOM 0 HD11 LEU A 74 11.082 2.545 3.518 1.00 42.14 H new ATOM 0 HD12 LEU A 74 10.142 4.055 3.568 1.00 42.14 H new ATOM 0 HD13 LEU A 74 10.091 2.929 4.945 1.00 42.14 H new ATOM 0 HD21 LEU A 74 9.944 0.373 3.236 1.00 10.22 H new ATOM 0 HD22 LEU A 74 8.914 0.680 4.654 1.00 10.22 H new ATOM 0 HD23 LEU A 74 8.173 0.300 3.081 1.00 10.22 H new ATOM 1206 N VAL A 75 4.383 2.094 4.427 1.00 35.20 N ATOM 1207 CA VAL A 75 3.100 2.526 4.948 1.00 61.24 C ATOM 1208 C VAL A 75 3.021 2.413 6.466 1.00 21.11 C ATOM 1209 O VAL A 75 3.773 1.668 7.103 1.00 42.43 O ATOM 1210 CB VAL A 75 1.932 1.734 4.317 1.00 12.14 C ATOM 1211 CG1 VAL A 75 1.829 2.024 2.828 1.00 34.24 C ATOM 1212 CG2 VAL A 75 2.097 0.241 4.564 1.00 63.40 C ATOM 0 H VAL A 75 4.627 1.129 4.649 1.00 35.20 H new ATOM 0 HA VAL A 75 3.008 3.578 4.676 1.00 61.24 H new ATOM 0 HB VAL A 75 1.006 2.057 4.793 1.00 12.14 H new ATOM 0 HG11 VAL A 75 1.001 1.457 2.403 1.00 34.24 H new ATOM 0 HG12 VAL A 75 1.655 3.089 2.676 1.00 34.24 H new ATOM 0 HG13 VAL A 75 2.757 1.734 2.336 1.00 34.24 H new ATOM 0 HG21 VAL A 75 1.264 -0.297 4.111 1.00 63.40 H new ATOM 0 HG22 VAL A 75 3.033 -0.100 4.121 1.00 63.40 H new ATOM 0 HG23 VAL A 75 2.113 0.049 5.637 1.00 63.40 H new ATOM 1222 N GLU A 76 2.095 3.172 7.023 1.00 45.20 N ATOM 1223 CA GLU A 76 1.868 3.234 8.452 1.00 62.22 C ATOM 1224 C GLU A 76 0.427 2.869 8.744 1.00 33.21 C ATOM 1225 O GLU A 76 -0.502 3.441 8.169 1.00 32.24 O ATOM 1226 CB GLU A 76 2.178 4.644 8.945 1.00 23.31 C ATOM 1227 CG GLU A 76 1.950 4.881 10.428 1.00 73.14 C ATOM 1228 CD GLU A 76 2.275 6.308 10.824 1.00 5.52 C ATOM 1229 OE1 GLU A 76 1.706 7.245 10.212 1.00 70.13 O ATOM 1230 OE2 GLU A 76 3.111 6.507 11.730 1.00 22.41 O ATOM 0 H GLU A 76 1.470 3.772 6.485 1.00 45.20 H new ATOM 0 HA GLU A 76 2.519 2.529 8.970 1.00 62.22 H new ATOM 0 HB2 GLU A 76 3.219 4.871 8.714 1.00 23.31 H new ATOM 0 HB3 GLU A 76 1.566 5.350 8.383 1.00 23.31 H new ATOM 0 HG2 GLU A 76 0.911 4.662 10.676 1.00 73.14 H new ATOM 0 HG3 GLU A 76 2.568 4.193 11.006 1.00 73.14 H new ATOM 1237 N VAL A 77 0.245 1.910 9.621 1.00 52.32 N ATOM 1238 CA VAL A 77 -1.087 1.426 9.945 1.00 3.10 C ATOM 1239 C VAL A 77 -1.824 2.435 10.825 1.00 2.54 C ATOM 1240 O VAL A 77 -1.308 2.883 11.851 1.00 1.31 O ATOM 1241 CB VAL A 77 -1.054 0.030 10.623 1.00 74.20 C ATOM 1242 CG1 VAL A 77 -0.292 0.059 11.942 1.00 71.21 C ATOM 1243 CG2 VAL A 77 -2.466 -0.501 10.831 1.00 15.23 C ATOM 0 H VAL A 77 1.000 1.446 10.126 1.00 52.32 H new ATOM 0 HA VAL A 77 -1.629 1.314 9.006 1.00 3.10 H new ATOM 0 HB VAL A 77 -0.522 -0.645 9.953 1.00 74.20 H new ATOM 0 HG11 VAL A 77 -0.292 -0.937 12.384 1.00 71.21 H new ATOM 0 HG12 VAL A 77 0.735 0.376 11.762 1.00 71.21 H new ATOM 0 HG13 VAL A 77 -0.773 0.759 12.625 1.00 71.21 H new ATOM 0 HG21 VAL A 77 -2.420 -1.480 11.307 1.00 15.23 H new ATOM 0 HG22 VAL A 77 -3.023 0.186 11.468 1.00 15.23 H new ATOM 0 HG23 VAL A 77 -2.967 -0.590 9.867 1.00 15.23 H new ATOM 1253 N LEU A 78 -3.022 2.813 10.399 1.00 30.11 N ATOM 1254 CA LEU A 78 -3.816 3.790 11.131 1.00 60.32 C ATOM 1255 C LEU A 78 -4.756 3.103 12.106 1.00 50.42 C ATOM 1256 O LEU A 78 -5.368 3.741 12.963 1.00 35.20 O ATOM 1257 CB LEU A 78 -4.602 4.672 10.162 1.00 42.03 C ATOM 1258 CG LEU A 78 -3.745 5.566 9.264 1.00 31.30 C ATOM 1259 CD1 LEU A 78 -4.622 6.368 8.321 1.00 23.14 C ATOM 1260 CD2 LEU A 78 -2.877 6.493 10.103 1.00 71.24 C ATOM 0 H LEU A 78 -3.465 2.458 9.551 1.00 30.11 H new ATOM 0 HA LEU A 78 -3.136 4.421 11.703 1.00 60.32 H new ATOM 0 HB2 LEU A 78 -5.219 4.033 9.531 1.00 42.03 H new ATOM 0 HB3 LEU A 78 -5.280 5.303 10.737 1.00 42.03 H new ATOM 0 HG LEU A 78 -3.091 4.929 8.669 1.00 31.30 H new ATOM 0 HD11 LEU A 78 -3.996 6.998 7.690 1.00 23.14 H new ATOM 0 HD12 LEU A 78 -5.200 5.688 7.695 1.00 23.14 H new ATOM 0 HD13 LEU A 78 -5.301 6.994 8.900 1.00 23.14 H new ATOM 0 HD21 LEU A 78 -2.275 7.121 9.446 1.00 71.24 H new ATOM 0 HD22 LEU A 78 -3.513 7.123 10.725 1.00 71.24 H new ATOM 0 HD23 LEU A 78 -2.221 5.900 10.740 1.00 71.24 H new