USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 LYS NZ :NH3+ 157:sc= -0.0376 (180deg=0) USER MOD Set 1.2: A 130 GLN :FLIP amide:sc= -1.55! C(o=-3.3!,f=-1.6!) USER MOD Set 2.1: A 88 THR OG1 : rot 89:sc= 1.26 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 1.08 K(o=2.3,f=-2.1) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -1.61! C(o=-0.29!,f=-6.5!) USER MOD Set 3.2: A 87 THR OG1 : rot -27:sc= 1.32 USER MOD Single : A 47 THR OG1 : rot -17:sc= 0.352 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.38! C(o=-1.4!,f=-7.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 160:sc= -0.111 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 172:sc= -2.43 (180deg=-2.62) USER MOD Single : A 72 MET CE :methyl -131:sc= 0 (180deg=-0.00505) USER MOD Single : A 74 HIS : no HE2:sc= -3.31! C(o=-3.3!,f=-8.2!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 62:sc= 0.128 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 109:sc= -0.868 USER MOD Single : A 94 ASN : amide:sc= -0.0018 X(o=-0.0018,f=-0.49) USER MOD Single : A 97 ASN : amide:sc= 0.0239 K(o=0.024,f=-4.5!) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 0.185 (180deg=0.0597) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 75:sc= 1.23 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 67:sc= 1.11 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 30:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 5.381 12.584 -1.798 1.00 0.00 N ATOM 103 CA THR A 47 5.273 11.637 -2.901 1.00 0.00 C ATOM 104 C THR A 47 5.904 10.298 -2.540 1.00 0.00 C ATOM 105 O THR A 47 6.373 9.566 -3.412 1.00 0.00 O ATOM 106 CB THR A 47 5.945 12.181 -4.176 1.00 0.00 C ATOM 107 OG1 THR A 47 7.158 12.863 -3.838 1.00 0.00 O ATOM 108 CG2 THR A 47 5.014 13.130 -4.915 1.00 0.00 C ATOM 0 HA THR A 47 4.209 11.494 -3.092 1.00 0.00 H new ATOM 0 HB THR A 47 6.172 11.338 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.163 13.065 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.510 13.501 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.104 12.601 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.760 13.969 -4.267 1.00 0.00 H new ATOM 116 N ILE A 48 5.913 9.982 -1.249 1.00 0.00 N ATOM 117 CA ILE A 48 6.485 8.728 -0.774 1.00 0.00 C ATOM 118 C ILE A 48 5.783 7.530 -1.403 1.00 0.00 C ATOM 119 O ILE A 48 6.346 6.438 -1.483 1.00 0.00 O ATOM 120 CB ILE A 48 6.396 8.615 0.760 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.934 8.630 1.210 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.171 9.744 1.421 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.728 8.104 2.613 1.00 0.00 C ATOM 0 H ILE A 48 5.531 10.577 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 48 7.534 8.727 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 48 6.841 7.668 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.556 9.651 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.343 8.032 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.098 9.650 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.218 9.691 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.753 10.702 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.668 8.144 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.075 7.072 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.292 8.716 3.317 1.00 0.00 H new ATOM 135 N PHE A 49 4.549 7.741 -1.850 1.00 0.00 N ATOM 136 CA PHE A 49 3.769 6.678 -2.473 1.00 0.00 C ATOM 137 C PHE A 49 3.289 7.098 -3.859 1.00 0.00 C ATOM 138 O PHE A 49 2.195 6.730 -4.287 1.00 0.00 O ATOM 139 CB PHE A 49 2.571 6.313 -1.594 1.00 0.00 C ATOM 140 CG PHE A 49 2.955 5.645 -0.305 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.815 4.559 -0.301 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.455 6.103 0.903 1.00 0.00 C ATOM 143 CE1 PHE A 49 4.171 3.942 0.883 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.807 5.491 2.091 1.00 0.00 C ATOM 145 CZ PHE A 49 3.665 4.408 2.081 1.00 0.00 C ATOM 0 H PHE A 49 4.068 8.639 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 49 4.411 5.804 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.005 7.218 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.908 5.652 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.212 4.190 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.782 6.948 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.844 3.097 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.412 5.859 3.026 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.940 3.927 3.008 1.00 0.00 H new ATOM 155 N SER A 50 4.115 7.872 -4.557 1.00 0.00 N ATOM 156 CA SER A 50 3.773 8.346 -5.893 1.00 0.00 C ATOM 157 C SER A 50 3.450 7.177 -6.818 1.00 0.00 C ATOM 158 O SER A 50 4.115 6.142 -6.784 1.00 0.00 O ATOM 159 CB SER A 50 4.924 9.169 -6.474 1.00 0.00 C ATOM 160 OG SER A 50 5.804 8.353 -7.228 1.00 0.00 O ATOM 0 H SER A 50 5.026 8.184 -4.219 1.00 0.00 H new ATOM 0 HA SER A 50 2.888 8.978 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.525 9.961 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.473 9.653 -5.666 1.00 0.00 H new ATOM 0 HG SER A 50 6.530 8.903 -7.590 1.00 0.00 H new ATOM 166 N GLY A 51 2.424 7.350 -7.645 1.00 0.00 N ATOM 167 CA GLY A 51 2.029 6.302 -8.568 1.00 0.00 C ATOM 168 C GLY A 51 2.136 4.920 -7.955 1.00 0.00 C ATOM 169 O GLY A 51 2.554 3.970 -8.618 1.00 0.00 O ATOM 0 H GLY A 51 1.859 8.198 -7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.002 6.474 -8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.656 6.351 -9.458 1.00 0.00 H new ATOM 173 N VAL A 52 1.758 4.806 -6.686 1.00 0.00 N ATOM 174 CA VAL A 52 1.814 3.529 -5.984 1.00 0.00 C ATOM 175 C VAL A 52 0.414 3.022 -5.655 1.00 0.00 C ATOM 176 O VAL A 52 -0.276 3.582 -4.804 1.00 0.00 O ATOM 177 CB VAL A 52 2.627 3.641 -4.680 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.348 2.452 -3.773 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.113 3.750 -4.988 1.00 0.00 C ATOM 0 H VAL A 52 1.410 5.582 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 52 2.307 2.822 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 52 2.320 4.546 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.931 2.548 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.287 2.424 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.626 1.531 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.673 3.828 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.438 2.864 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.295 4.636 -5.596 1.00 0.00 H new ATOM 189 N ALA A 53 0.002 1.957 -6.335 1.00 0.00 N ATOM 190 CA ALA A 53 -1.314 1.371 -6.113 1.00 0.00 C ATOM 191 C ALA A 53 -1.226 0.152 -5.202 1.00 0.00 C ATOM 192 O ALA A 53 -0.238 -0.583 -5.226 1.00 0.00 O ATOM 193 CB ALA A 53 -1.955 0.996 -7.441 1.00 0.00 C ATOM 0 H ALA A 53 0.561 1.483 -7.044 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.938 2.116 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.937 0.559 -7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.062 1.888 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.325 0.271 -7.957 1.00 0.00 H new ATOM 199 N ILE A 54 -2.264 -0.058 -4.400 1.00 0.00 N ATOM 200 CA ILE A 54 -2.303 -1.189 -3.481 1.00 0.00 C ATOM 201 C ILE A 54 -3.660 -1.885 -3.523 1.00 0.00 C ATOM 202 O ILE A 54 -4.698 -1.237 -3.659 1.00 0.00 O ATOM 203 CB ILE A 54 -2.009 -0.751 -2.035 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.948 0.385 -1.622 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.556 -0.320 -1.897 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.023 0.592 -0.125 1.00 0.00 C ATOM 0 H ILE A 54 -3.090 0.540 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.529 -1.885 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.181 -1.599 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.615 1.310 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.948 0.176 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.364 -0.013 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.097 -1.154 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.359 0.516 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.706 1.412 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.385 -0.319 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.032 0.833 0.259 1.00 0.00 H new ATOM 218 N TYR A 55 -3.644 -3.208 -3.404 1.00 0.00 N ATOM 219 CA TYR A 55 -4.873 -3.992 -3.429 1.00 0.00 C ATOM 220 C TYR A 55 -4.950 -4.922 -2.222 1.00 0.00 C ATOM 221 O TYR A 55 -4.257 -5.937 -2.160 1.00 0.00 O ATOM 222 CB TYR A 55 -4.956 -4.807 -4.721 1.00 0.00 C ATOM 223 CG TYR A 55 -5.890 -5.993 -4.629 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.250 -5.851 -4.877 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.413 -7.254 -4.294 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.107 -6.931 -4.795 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.263 -8.340 -4.211 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.609 -8.174 -4.461 1.00 0.00 C ATOM 229 OH TYR A 55 -8.459 -9.253 -4.378 1.00 0.00 O ATOM 0 H TYR A 55 -2.794 -3.760 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.716 -3.302 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.287 -4.156 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.959 -5.160 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.643 -4.880 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.360 -7.388 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.161 -6.803 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.875 -9.314 -3.952 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.949 -10.053 -4.134 1.00 0.00 H new ATOM 239 N VAL A 56 -5.800 -4.567 -1.263 1.00 0.00 N ATOM 240 CA VAL A 56 -5.971 -5.370 -0.058 1.00 0.00 C ATOM 241 C VAL A 56 -6.713 -6.666 -0.361 1.00 0.00 C ATOM 242 O VAL A 56 -7.772 -6.655 -0.988 1.00 0.00 O ATOM 243 CB VAL A 56 -6.739 -4.593 1.029 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.031 -5.492 2.221 1.00 0.00 C ATOM 245 CG2 VAL A 56 -5.955 -3.362 1.458 1.00 0.00 C ATOM 0 H VAL A 56 -6.380 -3.729 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.972 -5.605 0.310 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.690 -4.262 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.574 -4.927 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.636 -6.339 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.093 -5.855 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.512 -2.825 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.988 -3.668 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.802 -2.710 0.598 1.00 0.00 H new ATOM 255 N ASN A 57 -6.151 -7.783 0.089 1.00 0.00 N ATOM 256 CA ASN A 57 -6.760 -9.089 -0.135 1.00 0.00 C ATOM 257 C ASN A 57 -7.246 -9.695 1.179 1.00 0.00 C ATOM 258 O ASN A 57 -6.446 -10.065 2.037 1.00 0.00 O ATOM 259 CB ASN A 57 -5.760 -10.033 -0.805 1.00 0.00 C ATOM 260 CG ASN A 57 -6.342 -11.411 -1.053 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.273 -11.836 -0.369 1.00 0.00 O ATOM 262 ND2 ASN A 57 -5.795 -12.117 -2.036 1.00 0.00 N ATOM 0 H ASN A 57 -5.275 -7.810 0.611 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.619 -8.954 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.437 -9.602 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.874 -10.124 -0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.145 -13.051 -2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.025 -11.725 -2.578 1.00 0.00 H new ATOM 269 N GLY A 58 -8.563 -9.792 1.328 1.00 0.00 N ATOM 270 CA GLY A 58 -9.133 -10.353 2.539 1.00 0.00 C ATOM 271 C GLY A 58 -9.145 -9.364 3.687 1.00 0.00 C ATOM 272 O GLY A 58 -9.353 -8.168 3.483 1.00 0.00 O ATOM 0 H GLY A 58 -9.246 -9.492 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.152 -10.684 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.563 -11.236 2.830 1.00 0.00 H new ATOM 276 N TYR A 59 -8.922 -9.863 4.898 1.00 0.00 N ATOM 277 CA TYR A 59 -8.911 -9.015 6.084 1.00 0.00 C ATOM 278 C TYR A 59 -7.516 -8.452 6.339 1.00 0.00 C ATOM 279 O TYR A 59 -6.511 -9.129 6.121 1.00 0.00 O ATOM 280 CB TYR A 59 -9.386 -9.804 7.305 1.00 0.00 C ATOM 281 CG TYR A 59 -9.322 -9.020 8.596 1.00 0.00 C ATOM 282 CD1 TYR A 59 -10.389 -8.230 9.005 1.00 0.00 C ATOM 283 CD2 TYR A 59 -8.194 -9.068 9.406 1.00 0.00 C ATOM 284 CE1 TYR A 59 -10.335 -7.511 10.184 1.00 0.00 C ATOM 285 CE2 TYR A 59 -8.132 -8.353 10.587 1.00 0.00 C ATOM 286 CZ TYR A 59 -9.204 -7.576 10.971 1.00 0.00 C ATOM 287 OH TYR A 59 -9.146 -6.862 12.146 1.00 0.00 O ATOM 0 H TYR A 59 -8.746 -10.850 5.084 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.592 -8.182 5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.413 -10.131 7.139 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.778 -10.703 7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.276 -8.177 8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.352 -9.674 9.108 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.174 -6.902 10.487 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.248 -8.403 11.206 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.282 -7.018 12.581 1.00 0.00 H new ATOM 297 N THR A 60 -7.463 -7.208 6.803 1.00 0.00 N ATOM 298 CA THR A 60 -6.193 -6.552 7.088 1.00 0.00 C ATOM 299 C THR A 60 -6.369 -5.431 8.106 1.00 0.00 C ATOM 300 O THR A 60 -7.493 -5.050 8.436 1.00 0.00 O ATOM 301 CB THR A 60 -5.560 -5.973 5.809 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.465 -5.053 5.187 1.00 0.00 O ATOM 303 CG2 THR A 60 -5.205 -7.082 4.831 1.00 0.00 C ATOM 0 H THR A 60 -8.285 -6.634 6.990 1.00 0.00 H new ATOM 0 HA THR A 60 -5.530 -7.313 7.500 1.00 0.00 H new ATOM 0 HB THR A 60 -4.645 -5.450 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.967 -4.461 4.585 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.760 -6.649 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.493 -7.764 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.107 -7.630 4.559 1.00 0.00 H new ATOM 311 N ASP A 61 -5.253 -4.907 8.601 1.00 0.00 N ATOM 312 CA ASP A 61 -5.285 -3.828 9.581 1.00 0.00 C ATOM 313 C ASP A 61 -4.175 -2.816 9.312 1.00 0.00 C ATOM 314 O ASP A 61 -2.991 -3.153 9.272 1.00 0.00 O ATOM 315 CB ASP A 61 -5.146 -4.391 10.997 1.00 0.00 C ATOM 316 CG ASP A 61 -5.043 -3.302 12.046 1.00 0.00 C ATOM 317 OD1 ASP A 61 -3.958 -2.695 12.168 1.00 0.00 O ATOM 318 OD2 ASP A 61 -6.048 -3.055 12.745 1.00 0.00 O ATOM 0 H ASP A 61 -4.315 -5.212 8.340 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.245 -3.320 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.005 -5.025 11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.261 -5.025 11.047 1.00 0.00 H new ATOM 323 N PRO A 62 -4.564 -1.547 9.121 1.00 0.00 N ATOM 324 CA PRO A 62 -5.970 -1.135 9.165 1.00 0.00 C ATOM 325 C PRO A 62 -6.766 -1.661 7.976 1.00 0.00 C ATOM 326 O PRO A 62 -6.194 -2.139 6.996 1.00 0.00 O ATOM 327 CB PRO A 62 -5.894 0.393 9.124 1.00 0.00 C ATOM 328 CG PRO A 62 -4.599 0.689 8.448 1.00 0.00 C ATOM 329 CD PRO A 62 -3.662 -0.417 8.846 1.00 0.00 C ATOM 0 HA PRO A 62 -6.482 -1.526 10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.734 0.817 8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.923 0.818 10.127 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.723 0.725 7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.211 1.660 8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.956 -0.651 8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.074 -0.149 9.724 1.00 0.00 H new ATOM 337 N SER A 63 -8.089 -1.570 8.068 1.00 0.00 N ATOM 338 CA SER A 63 -8.964 -2.040 7.000 1.00 0.00 C ATOM 339 C SER A 63 -8.605 -1.379 5.673 1.00 0.00 C ATOM 340 O SER A 63 -7.914 -0.361 5.641 1.00 0.00 O ATOM 341 CB SER A 63 -10.426 -1.753 7.347 1.00 0.00 C ATOM 342 OG SER A 63 -10.910 -2.669 8.314 1.00 0.00 O ATOM 0 H SER A 63 -8.578 -1.175 8.871 1.00 0.00 H new ATOM 0 HA SER A 63 -8.827 -3.117 6.898 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.520 -0.735 7.726 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.036 -1.815 6.446 1.00 0.00 H new ATOM 0 HG SER A 63 -11.846 -2.463 8.520 1.00 0.00 H new ATOM 348 N ALA A 64 -9.079 -1.967 4.579 1.00 0.00 N ATOM 349 CA ALA A 64 -8.811 -1.435 3.249 1.00 0.00 C ATOM 350 C ALA A 64 -9.279 0.012 3.131 1.00 0.00 C ATOM 351 O ALA A 64 -8.531 0.881 2.686 1.00 0.00 O ATOM 352 CB ALA A 64 -9.482 -2.297 2.190 1.00 0.00 C ATOM 0 H ALA A 64 -9.650 -2.812 4.588 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.733 -1.455 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.273 -1.888 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.095 -3.314 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.559 -2.308 2.358 1.00 0.00 H new ATOM 358 N GLU A 65 -10.522 0.261 3.532 1.00 0.00 N ATOM 359 CA GLU A 65 -11.090 1.603 3.469 1.00 0.00 C ATOM 360 C GLU A 65 -10.117 2.632 4.037 1.00 0.00 C ATOM 361 O GLU A 65 -9.974 3.729 3.498 1.00 0.00 O ATOM 362 CB GLU A 65 -12.413 1.657 4.236 1.00 0.00 C ATOM 363 CG GLU A 65 -13.237 2.898 3.939 1.00 0.00 C ATOM 364 CD GLU A 65 -14.487 2.986 4.793 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.370 2.855 6.030 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.581 3.187 4.226 1.00 0.00 O ATOM 0 H GLU A 65 -11.154 -0.448 3.903 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.276 1.843 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.002 0.773 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.206 1.616 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.625 3.784 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.520 2.899 2.886 1.00 0.00 H new ATOM 373 N GLU A 66 -9.452 2.270 5.130 1.00 0.00 N ATOM 374 CA GLU A 66 -8.494 3.162 5.772 1.00 0.00 C ATOM 375 C GLU A 66 -7.307 3.437 4.854 1.00 0.00 C ATOM 376 O GLU A 66 -6.961 4.590 4.595 1.00 0.00 O ATOM 377 CB GLU A 66 -8.005 2.558 7.090 1.00 0.00 C ATOM 378 CG GLU A 66 -9.017 2.660 8.219 1.00 0.00 C ATOM 379 CD GLU A 66 -9.137 4.068 8.770 1.00 0.00 C ATOM 380 OE1 GLU A 66 -8.313 4.440 9.631 1.00 0.00 O ATOM 381 OE2 GLU A 66 -10.055 4.797 8.339 1.00 0.00 O ATOM 0 H GLU A 66 -9.559 1.365 5.589 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.998 4.106 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.757 1.509 6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.086 3.060 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.992 2.331 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.728 1.983 9.023 1.00 0.00 H new ATOM 388 N LEU A 67 -6.685 2.369 4.365 1.00 0.00 N ATOM 389 CA LEU A 67 -5.535 2.494 3.476 1.00 0.00 C ATOM 390 C LEU A 67 -5.899 3.282 2.222 1.00 0.00 C ATOM 391 O LEU A 67 -5.236 4.259 1.877 1.00 0.00 O ATOM 392 CB LEU A 67 -5.013 1.109 3.089 1.00 0.00 C ATOM 393 CG LEU A 67 -4.521 0.231 4.240 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.316 -1.200 3.770 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.232 0.791 4.825 1.00 0.00 C ATOM 0 H LEU A 67 -6.958 1.408 4.569 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.752 3.035 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.808 0.576 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.195 1.236 2.380 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.281 0.230 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.966 -1.810 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.260 -1.600 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.575 -1.218 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.897 0.153 5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.465 0.822 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.410 1.799 5.200 1.00 0.00 H new ATOM 407 N ARG A 68 -6.959 2.850 1.545 1.00 0.00 N ATOM 408 CA ARG A 68 -7.412 3.516 0.330 1.00 0.00 C ATOM 409 C ARG A 68 -7.181 5.022 0.416 1.00 0.00 C ATOM 410 O ARG A 68 -6.531 5.612 -0.446 1.00 0.00 O ATOM 411 CB ARG A 68 -8.895 3.230 0.089 1.00 0.00 C ATOM 412 CG ARG A 68 -9.462 3.937 -1.131 1.00 0.00 C ATOM 413 CD ARG A 68 -10.939 4.252 -0.957 1.00 0.00 C ATOM 414 NE ARG A 68 -11.483 4.979 -2.101 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.767 5.293 -2.230 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.635 4.946 -1.290 1.00 0.00 N ATOM 417 NH2 ARG A 68 -13.185 5.956 -3.300 1.00 0.00 N ATOM 0 H ARG A 68 -7.519 2.042 1.818 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.833 3.124 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.035 2.155 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.462 3.532 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.910 4.861 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.324 3.311 -2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.494 3.324 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.079 4.843 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.841 5.261 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.317 4.437 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.621 5.188 -1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.520 6.225 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.171 6.196 -3.398 1.00 0.00 H new ATOM 431 N LYS A 69 -7.719 5.639 1.464 1.00 0.00 N ATOM 432 CA LYS A 69 -7.572 7.075 1.665 1.00 0.00 C ATOM 433 C LYS A 69 -6.106 7.450 1.860 1.00 0.00 C ATOM 434 O LYS A 69 -5.565 8.281 1.130 1.00 0.00 O ATOM 435 CB LYS A 69 -8.391 7.528 2.876 1.00 0.00 C ATOM 436 CG LYS A 69 -9.817 7.922 2.532 1.00 0.00 C ATOM 437 CD LYS A 69 -10.756 6.730 2.595 1.00 0.00 C ATOM 438 CE LYS A 69 -11.159 6.412 4.027 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.367 7.176 4.445 1.00 0.00 N ATOM 0 H LYS A 69 -8.261 5.166 2.187 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.943 7.581 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.412 6.724 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.892 8.376 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.159 8.693 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.844 8.355 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.647 6.936 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.272 5.860 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.354 5.344 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.332 6.645 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.610 6.932 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.173 8.196 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.163 6.935 3.821 1.00 0.00 H new ATOM 453 N LEU A 70 -5.469 6.832 2.848 1.00 0.00 N ATOM 454 CA LEU A 70 -4.065 7.099 3.138 1.00 0.00 C ATOM 455 C LEU A 70 -3.276 7.322 1.852 1.00 0.00 C ATOM 456 O LEU A 70 -2.750 8.410 1.616 1.00 0.00 O ATOM 457 CB LEU A 70 -3.457 5.939 3.928 1.00 0.00 C ATOM 458 CG LEU A 70 -4.063 5.675 5.307 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.699 4.280 5.792 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.599 6.727 6.304 1.00 0.00 C ATOM 0 H LEU A 70 -5.903 6.142 3.462 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.010 8.007 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.551 5.031 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.391 6.130 4.052 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.148 5.736 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.139 4.110 6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.082 3.539 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.615 4.190 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.040 6.523 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.512 6.698 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.912 7.714 5.963 1.00 0.00 H new ATOM 472 N MET A 71 -3.199 6.286 1.024 1.00 0.00 N ATOM 473 CA MET A 71 -2.477 6.370 -0.240 1.00 0.00 C ATOM 474 C MET A 71 -2.716 7.718 -0.914 1.00 0.00 C ATOM 475 O MET A 71 -1.785 8.498 -1.111 1.00 0.00 O ATOM 476 CB MET A 71 -2.905 5.237 -1.174 1.00 0.00 C ATOM 477 CG MET A 71 -3.172 3.925 -0.454 1.00 0.00 C ATOM 478 SD MET A 71 -1.977 3.596 0.856 1.00 0.00 S ATOM 479 CE MET A 71 -0.440 3.673 -0.061 1.00 0.00 C ATOM 0 H MET A 71 -3.628 5.378 1.205 1.00 0.00 H new ATOM 0 HA MET A 71 -1.412 6.273 -0.028 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.806 5.538 -1.709 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.128 5.080 -1.922 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.175 3.946 -0.028 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.149 3.108 -1.175 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.400 3.631 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.384 2.830 -0.749 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.399 4.605 -0.625 1.00 0.00 H new ATOM 489 N MET A 72 -3.970 7.984 -1.267 1.00 0.00 N ATOM 490 CA MET A 72 -4.331 9.237 -1.918 1.00 0.00 C ATOM 491 C MET A 72 -3.813 10.432 -1.123 1.00 0.00 C ATOM 492 O MET A 72 -3.240 11.365 -1.687 1.00 0.00 O ATOM 493 CB MET A 72 -5.849 9.336 -2.077 1.00 0.00 C ATOM 494 CG MET A 72 -6.450 8.199 -2.889 1.00 0.00 C ATOM 495 SD MET A 72 -6.316 8.469 -4.666 1.00 0.00 S ATOM 496 CE MET A 72 -7.689 9.585 -4.944 1.00 0.00 C ATOM 0 H MET A 72 -4.752 7.348 -1.113 1.00 0.00 H new ATOM 0 HA MET A 72 -3.868 9.251 -2.905 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.310 9.349 -1.089 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.095 10.284 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.949 7.267 -2.628 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.500 8.082 -2.621 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.284 9.227 -5.784 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.311 9.626 -4.050 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.308 10.582 -5.167 1.00 0.00 H new ATOM 506 N LEU A 73 -4.019 10.397 0.189 1.00 0.00 N ATOM 507 CA LEU A 73 -3.573 11.478 1.062 1.00 0.00 C ATOM 508 C LEU A 73 -2.071 11.703 0.925 1.00 0.00 C ATOM 509 O LEU A 73 -1.564 12.785 1.227 1.00 0.00 O ATOM 510 CB LEU A 73 -3.922 11.161 2.517 1.00 0.00 C ATOM 511 CG LEU A 73 -5.338 11.526 2.963 1.00 0.00 C ATOM 512 CD1 LEU A 73 -5.769 10.661 4.136 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.419 13.001 3.328 1.00 0.00 C ATOM 0 H LEU A 73 -4.492 9.633 0.672 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.087 12.391 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.775 10.093 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.214 11.682 3.161 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.018 11.340 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.779 10.936 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.752 9.612 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.086 10.814 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.434 13.243 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.726 13.213 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.155 13.606 2.460 1.00 0.00 H new ATOM 525 N HIS A 74 -1.363 10.676 0.466 1.00 0.00 N ATOM 526 CA HIS A 74 0.082 10.764 0.286 1.00 0.00 C ATOM 527 C HIS A 74 0.439 10.886 -1.193 1.00 0.00 C ATOM 528 O HIS A 74 1.587 11.154 -1.544 1.00 0.00 O ATOM 529 CB HIS A 74 0.768 9.537 0.888 1.00 0.00 C ATOM 530 CG HIS A 74 0.970 9.630 2.369 1.00 0.00 C ATOM 531 ND1 HIS A 74 2.111 10.150 2.942 1.00 0.00 N ATOM 532 CD2 HIS A 74 0.166 9.268 3.397 1.00 0.00 C ATOM 533 CE1 HIS A 74 2.003 10.102 4.257 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.831 9.572 4.560 1.00 0.00 N ATOM 0 H HIS A 74 -1.766 9.774 0.212 1.00 0.00 H new ATOM 0 HA HIS A 74 0.434 11.658 0.802 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.172 8.652 0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.736 9.399 0.406 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.914 10.515 2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.815 8.823 3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.746 10.439 4.965 1.00 0.00 H new ATOM 542 N GLY A 75 -0.553 10.685 -2.055 1.00 0.00 N ATOM 543 CA GLY A 75 -0.323 10.776 -3.485 1.00 0.00 C ATOM 544 C GLY A 75 -0.193 9.415 -4.139 1.00 0.00 C ATOM 545 O GLY A 75 0.678 9.204 -4.981 1.00 0.00 O ATOM 0 H GLY A 75 -1.512 10.461 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.145 11.321 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.584 11.352 -3.668 1.00 0.00 H new ATOM 549 N GLY A 76 -1.063 8.487 -3.749 1.00 0.00 N ATOM 550 CA GLY A 76 -1.023 7.150 -4.312 1.00 0.00 C ATOM 551 C GLY A 76 -2.290 6.801 -5.067 1.00 0.00 C ATOM 552 O GLY A 76 -2.934 7.674 -5.648 1.00 0.00 O ATOM 0 H GLY A 76 -1.794 8.638 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.169 7.067 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.870 6.426 -3.511 1.00 0.00 H new ATOM 556 N GLN A 77 -2.648 5.521 -5.058 1.00 0.00 N ATOM 557 CA GLN A 77 -3.846 5.059 -5.749 1.00 0.00 C ATOM 558 C GLN A 77 -4.405 3.802 -5.089 1.00 0.00 C ATOM 559 O GLN A 77 -3.717 3.138 -4.314 1.00 0.00 O ATOM 560 CB GLN A 77 -3.537 4.782 -7.221 1.00 0.00 C ATOM 561 CG GLN A 77 -3.260 6.038 -8.032 1.00 0.00 C ATOM 562 CD GLN A 77 -3.428 5.819 -9.522 1.00 0.00 C ATOM 563 OE1 GLN A 77 -4.345 6.360 -10.142 1.00 0.00 O ATOM 564 NE2 GLN A 77 -2.541 5.022 -10.108 1.00 0.00 N ATOM 0 H GLN A 77 -2.126 4.786 -4.580 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.598 5.846 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.673 4.121 -7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.378 4.250 -7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.933 6.831 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.244 6.379 -7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.797 4.594 -9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.604 4.838 -11.109 1.00 0.00 H new ATOM 573 N TYR A 78 -5.655 3.482 -5.402 1.00 0.00 N ATOM 574 CA TYR A 78 -6.307 2.307 -4.837 1.00 0.00 C ATOM 575 C TYR A 78 -7.182 1.616 -5.879 1.00 0.00 C ATOM 576 O TYR A 78 -7.932 2.266 -6.607 1.00 0.00 O ATOM 577 CB TYR A 78 -7.153 2.700 -3.624 1.00 0.00 C ATOM 578 CG TYR A 78 -7.788 1.521 -2.921 1.00 0.00 C ATOM 579 CD1 TYR A 78 -7.113 0.842 -1.914 1.00 0.00 C ATOM 580 CD2 TYR A 78 -9.062 1.086 -3.265 1.00 0.00 C ATOM 581 CE1 TYR A 78 -7.689 -0.235 -1.269 1.00 0.00 C ATOM 582 CE2 TYR A 78 -9.646 0.010 -2.625 1.00 0.00 C ATOM 583 CZ TYR A 78 -8.955 -0.647 -1.628 1.00 0.00 C ATOM 584 OH TYR A 78 -9.533 -1.720 -0.988 1.00 0.00 O ATOM 0 H TYR A 78 -6.237 4.020 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.531 1.610 -4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.527 3.241 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.937 3.386 -3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.121 1.162 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.605 1.598 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.151 -0.751 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.638 -0.315 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.426 -1.880 -1.359 1.00 0.00 H new ATOM 594 N HIS A 79 -7.081 0.292 -5.943 1.00 0.00 N ATOM 595 CA HIS A 79 -7.863 -0.490 -6.894 1.00 0.00 C ATOM 596 C HIS A 79 -8.707 -1.537 -6.173 1.00 0.00 C ATOM 597 O HIS A 79 -8.235 -2.201 -5.250 1.00 0.00 O ATOM 598 CB HIS A 79 -6.942 -1.169 -7.908 1.00 0.00 C ATOM 599 CG HIS A 79 -6.083 -0.211 -8.673 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.811 -0.521 -9.106 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.320 1.057 -9.084 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.302 0.515 -9.749 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.198 1.485 -9.750 1.00 0.00 N ATOM 0 H HIS A 79 -6.465 -0.262 -5.347 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.532 0.189 -7.422 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.302 -1.880 -7.386 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.548 -1.741 -8.610 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.223 1.626 -8.919 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.321 0.561 -10.197 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.076 2.404 -10.176 1.00 0.00 H new ATOM 611 N VAL A 80 -9.958 -1.678 -6.600 1.00 0.00 N ATOM 612 CA VAL A 80 -10.867 -2.645 -5.995 1.00 0.00 C ATOM 613 C VAL A 80 -10.753 -4.005 -6.674 1.00 0.00 C ATOM 614 O VAL A 80 -10.877 -5.046 -6.027 1.00 0.00 O ATOM 615 CB VAL A 80 -12.328 -2.165 -6.073 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.218 -3.016 -5.180 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.427 -0.695 -5.693 1.00 0.00 C ATOM 0 H VAL A 80 -10.365 -1.135 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.579 -2.740 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.674 -2.275 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.247 -2.662 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.170 -4.056 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.876 -2.941 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.466 -0.373 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.063 -0.557 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.822 -0.101 -6.378 1.00 0.00 H new ATOM 627 N TYR A 81 -10.517 -3.990 -7.981 1.00 0.00 N ATOM 628 CA TYR A 81 -10.388 -5.223 -8.749 1.00 0.00 C ATOM 629 C TYR A 81 -8.925 -5.519 -9.063 1.00 0.00 C ATOM 630 O TYR A 81 -8.293 -4.816 -9.852 1.00 0.00 O ATOM 631 CB TYR A 81 -11.190 -5.126 -10.047 1.00 0.00 C ATOM 632 CG TYR A 81 -12.444 -4.289 -9.923 1.00 0.00 C ATOM 633 CD1 TYR A 81 -13.124 -4.197 -8.715 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.948 -3.592 -11.014 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.270 -3.434 -8.598 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.092 -2.826 -10.905 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.750 -2.750 -9.695 1.00 0.00 C ATOM 638 OH TYR A 81 -15.891 -1.989 -9.583 1.00 0.00 O ATOM 0 H TYR A 81 -10.411 -3.138 -8.531 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.784 -6.040 -8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.556 -4.702 -10.825 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.464 -6.130 -10.371 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.751 -4.731 -7.853 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.437 -3.650 -11.963 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.787 -3.374 -7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.470 -2.289 -11.763 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.092 -1.572 -10.447 1.00 0.00 H new ATOM 648 N TYR A 82 -8.393 -6.565 -8.440 1.00 0.00 N ATOM 649 CA TYR A 82 -7.004 -6.954 -8.650 1.00 0.00 C ATOM 650 C TYR A 82 -6.584 -6.716 -10.098 1.00 0.00 C ATOM 651 O TYR A 82 -7.224 -7.205 -11.029 1.00 0.00 O ATOM 652 CB TYR A 82 -6.804 -8.426 -8.285 1.00 0.00 C ATOM 653 CG TYR A 82 -5.403 -8.931 -8.548 1.00 0.00 C ATOM 654 CD1 TYR A 82 -4.298 -8.119 -8.323 1.00 0.00 C ATOM 655 CD2 TYR A 82 -5.184 -10.218 -9.022 1.00 0.00 C ATOM 656 CE1 TYR A 82 -3.016 -8.575 -8.563 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.906 -10.683 -9.263 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.825 -9.858 -9.032 1.00 0.00 C ATOM 659 OH TYR A 82 -1.550 -10.317 -9.272 1.00 0.00 O ATOM 0 H TYR A 82 -8.903 -7.158 -7.786 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.379 -6.338 -8.003 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.039 -8.565 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.512 -9.031 -8.852 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.444 -7.114 -7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.028 -10.867 -9.205 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.168 -7.930 -8.384 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.754 -11.687 -9.630 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.591 -11.240 -9.598 1.00 0.00 H new ATOM 669 N SER A 83 -5.505 -5.962 -10.278 1.00 0.00 N ATOM 670 CA SER A 83 -5.000 -5.656 -11.611 1.00 0.00 C ATOM 671 C SER A 83 -3.512 -5.973 -11.715 1.00 0.00 C ATOM 672 O SER A 83 -2.710 -5.514 -10.901 1.00 0.00 O ATOM 673 CB SER A 83 -5.244 -4.183 -11.945 1.00 0.00 C ATOM 674 OG SER A 83 -6.575 -3.972 -12.383 1.00 0.00 O ATOM 0 H SER A 83 -4.963 -5.552 -9.517 1.00 0.00 H new ATOM 0 HA SER A 83 -5.536 -6.278 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.046 -3.570 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.548 -3.863 -12.720 1.00 0.00 H new ATOM 0 HG SER A 83 -7.197 -4.208 -11.664 1.00 0.00 H new ATOM 680 N ARG A 84 -3.150 -6.761 -12.722 1.00 0.00 N ATOM 681 CA ARG A 84 -1.759 -7.142 -12.933 1.00 0.00 C ATOM 682 C ARG A 84 -1.012 -6.063 -13.712 1.00 0.00 C ATOM 683 O ARG A 84 0.219 -6.050 -13.749 1.00 0.00 O ATOM 684 CB ARG A 84 -1.680 -8.474 -13.682 1.00 0.00 C ATOM 685 CG ARG A 84 -2.128 -9.666 -12.853 1.00 0.00 C ATOM 686 CD ARG A 84 -3.628 -9.641 -12.605 1.00 0.00 C ATOM 687 NE ARG A 84 -4.382 -9.413 -13.835 1.00 0.00 N ATOM 688 CZ ARG A 84 -4.608 -10.355 -14.744 1.00 0.00 C ATOM 689 NH1 ARG A 84 -4.141 -11.583 -14.561 1.00 0.00 N ATOM 690 NH2 ARG A 84 -5.303 -10.071 -15.838 1.00 0.00 N ATOM 0 H ARG A 84 -3.801 -7.148 -13.405 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.287 -7.254 -11.957 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.296 -8.414 -14.579 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.653 -8.636 -14.011 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.858 -10.589 -13.366 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.601 -9.666 -11.899 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.938 -10.587 -12.160 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.863 -8.857 -11.885 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.756 -8.479 -14.005 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.607 -11.806 -13.721 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.316 -12.305 -15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.665 -9.128 -15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.476 -10.795 -16.535 1.00 0.00 H new ATOM 704 N SER A 85 -1.764 -5.161 -14.332 1.00 0.00 N ATOM 705 CA SER A 85 -1.174 -4.080 -15.114 1.00 0.00 C ATOM 706 C SER A 85 -1.201 -2.769 -14.335 1.00 0.00 C ATOM 707 O SER A 85 -0.221 -2.024 -14.316 1.00 0.00 O ATOM 708 CB SER A 85 -1.920 -3.915 -16.439 1.00 0.00 C ATOM 709 OG SER A 85 -1.557 -4.929 -17.359 1.00 0.00 O ATOM 0 H SER A 85 -2.784 -5.156 -14.309 1.00 0.00 H new ATOM 0 HA SER A 85 -0.135 -4.338 -15.320 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.995 -3.949 -16.261 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.698 -2.937 -16.865 1.00 0.00 H new ATOM 0 HG SER A 85 -2.049 -4.802 -18.197 1.00 0.00 H new ATOM 715 N LYS A 86 -2.331 -2.493 -13.692 1.00 0.00 N ATOM 716 CA LYS A 86 -2.488 -1.272 -12.910 1.00 0.00 C ATOM 717 C LYS A 86 -1.803 -1.404 -11.553 1.00 0.00 C ATOM 718 O LYS A 86 -0.743 -0.822 -11.321 1.00 0.00 O ATOM 719 CB LYS A 86 -3.972 -0.954 -12.715 1.00 0.00 C ATOM 720 CG LYS A 86 -4.671 -0.512 -13.989 1.00 0.00 C ATOM 721 CD LYS A 86 -4.452 0.967 -14.261 1.00 0.00 C ATOM 722 CE LYS A 86 -4.912 1.350 -15.659 1.00 0.00 C ATOM 723 NZ LYS A 86 -6.394 1.293 -15.791 1.00 0.00 N ATOM 0 H LYS A 86 -3.152 -3.099 -13.697 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.017 -0.456 -13.458 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.476 -1.837 -12.322 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.072 -0.170 -11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.299 -1.097 -14.831 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.739 -0.714 -13.908 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.995 1.558 -13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.395 1.207 -14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.565 2.357 -15.892 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.457 0.679 -16.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.667 1.561 -16.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.723 0.326 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.828 1.952 -15.114 1.00 0.00 H new ATOM 737 N THR A 87 -2.415 -2.174 -10.659 1.00 0.00 N ATOM 738 CA THR A 87 -1.864 -2.383 -9.326 1.00 0.00 C ATOM 739 C THR A 87 -0.391 -2.770 -9.393 1.00 0.00 C ATOM 740 O THR A 87 0.035 -3.476 -10.308 1.00 0.00 O ATOM 741 CB THR A 87 -2.636 -3.477 -8.564 1.00 0.00 C ATOM 742 OG1 THR A 87 -4.045 -3.249 -8.673 1.00 0.00 O ATOM 743 CG2 THR A 87 -2.233 -3.502 -7.097 1.00 0.00 C ATOM 0 H THR A 87 -3.293 -2.663 -10.834 1.00 0.00 H new ATOM 0 HA THR A 87 -1.964 -1.438 -8.792 1.00 0.00 H new ATOM 0 HB THR A 87 -2.389 -4.441 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.213 -2.292 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.791 -4.282 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.165 -3.706 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.454 -2.536 -6.643 1.00 0.00 H new ATOM 751 N THR A 88 0.384 -2.303 -8.419 1.00 0.00 N ATOM 752 CA THR A 88 1.810 -2.599 -8.369 1.00 0.00 C ATOM 753 C THR A 88 2.127 -3.584 -7.249 1.00 0.00 C ATOM 754 O THR A 88 2.907 -4.519 -7.433 1.00 0.00 O ATOM 755 CB THR A 88 2.643 -1.320 -8.164 1.00 0.00 C ATOM 756 OG1 THR A 88 2.116 -0.563 -7.068 1.00 0.00 O ATOM 757 CG2 THR A 88 2.643 -0.467 -9.423 1.00 0.00 C ATOM 0 H THR A 88 0.048 -1.718 -7.654 1.00 0.00 H new ATOM 0 HA THR A 88 2.074 -3.045 -9.328 1.00 0.00 H new ATOM 0 HB THR A 88 3.669 -1.612 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.543 -0.853 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.238 0.431 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.071 -1.036 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.620 -0.183 -9.670 1.00 0.00 H new ATOM 765 N HIS A 89 1.519 -3.368 -6.087 1.00 0.00 N ATOM 766 CA HIS A 89 1.736 -4.238 -4.937 1.00 0.00 C ATOM 767 C HIS A 89 0.424 -4.862 -4.472 1.00 0.00 C ATOM 768 O HIS A 89 -0.657 -4.427 -4.870 1.00 0.00 O ATOM 769 CB HIS A 89 2.374 -3.453 -3.790 1.00 0.00 C ATOM 770 CG HIS A 89 3.639 -2.750 -4.177 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.657 -1.532 -4.822 1.00 0.00 N ATOM 772 CD2 HIS A 89 4.935 -3.102 -4.004 1.00 0.00 C ATOM 773 CE1 HIS A 89 4.908 -1.165 -5.031 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.704 -2.100 -4.544 1.00 0.00 N ATOM 0 H HIS A 89 0.872 -2.598 -5.917 1.00 0.00 H new ATOM 0 HA HIS A 89 2.411 -5.038 -5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.658 -2.719 -3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.584 -4.135 -2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.297 -4.002 -3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.226 -0.255 -5.518 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.724 -2.081 -4.565 1.00 0.00 H new ATOM 782 N ILE A 90 0.526 -5.885 -3.630 1.00 0.00 N ATOM 783 CA ILE A 90 -0.652 -6.568 -3.112 1.00 0.00 C ATOM 784 C ILE A 90 -0.616 -6.650 -1.590 1.00 0.00 C ATOM 785 O ILE A 90 0.181 -7.392 -1.017 1.00 0.00 O ATOM 786 CB ILE A 90 -0.776 -7.991 -3.688 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.997 -7.935 -5.201 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.913 -8.741 -3.009 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.789 -9.265 -5.892 1.00 0.00 C ATOM 0 H ILE A 90 1.413 -6.259 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.517 -5.982 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 90 0.153 -8.527 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.011 -7.586 -5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.317 -7.200 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.988 -9.745 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.717 -8.807 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.850 -8.209 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.962 -9.150 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.233 -9.606 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.487 -9.998 -5.488 1.00 0.00 H new ATOM 801 N ILE A 91 -1.486 -5.883 -0.941 1.00 0.00 N ATOM 802 CA ILE A 91 -1.556 -5.870 0.515 1.00 0.00 C ATOM 803 C ILE A 91 -2.311 -7.087 1.040 1.00 0.00 C ATOM 804 O ILE A 91 -3.408 -7.395 0.577 1.00 0.00 O ATOM 805 CB ILE A 91 -2.239 -4.592 1.035 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.500 -3.351 0.531 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.293 -4.601 2.555 1.00 0.00 C ATOM 808 CD1 ILE A 91 -0.113 -3.195 1.114 1.00 0.00 C ATOM 0 H ILE A 91 -2.152 -5.262 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.529 -5.897 0.880 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.260 -4.564 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.425 -3.399 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.088 -2.465 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.779 -3.691 2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.859 -5.469 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.280 -4.650 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.351 -2.294 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.181 -3.115 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.492 -4.063 0.851 1.00 0.00 H new ATOM 820 N ALA A 92 -1.716 -7.773 2.010 1.00 0.00 N ATOM 821 CA ALA A 92 -2.334 -8.953 2.601 1.00 0.00 C ATOM 822 C ALA A 92 -1.583 -9.398 3.851 1.00 0.00 C ATOM 823 O ALA A 92 -0.363 -9.567 3.829 1.00 0.00 O ATOM 824 CB ALA A 92 -2.389 -10.084 1.585 1.00 0.00 C ATOM 0 H ALA A 92 -0.806 -7.532 2.403 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.351 -8.692 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.853 -10.959 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.976 -9.770 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.378 -10.335 1.264 1.00 0.00 H new ATOM 830 N THR A 93 -2.319 -9.587 4.942 1.00 0.00 N ATOM 831 CA THR A 93 -1.722 -10.011 6.202 1.00 0.00 C ATOM 832 C THR A 93 -1.289 -11.472 6.142 1.00 0.00 C ATOM 833 O THR A 93 -0.198 -11.824 6.588 1.00 0.00 O ATOM 834 CB THR A 93 -2.700 -9.826 7.378 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.563 -8.711 7.126 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.946 -9.605 8.680 1.00 0.00 C ATOM 0 H THR A 93 -3.330 -9.453 4.978 1.00 0.00 H new ATOM 0 HA THR A 93 -0.847 -9.382 6.364 1.00 0.00 H new ATOM 0 HB THR A 93 -3.296 -10.734 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.470 -9.034 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.658 -9.477 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.312 -10.468 8.884 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.327 -8.712 8.595 1.00 0.00 H new ATOM 844 N ASN A 94 -2.151 -12.317 5.587 1.00 0.00 N ATOM 845 CA ASN A 94 -1.857 -13.740 5.468 1.00 0.00 C ATOM 846 C ASN A 94 -2.539 -14.336 4.240 1.00 0.00 C ATOM 847 O ASN A 94 -3.615 -13.893 3.837 1.00 0.00 O ATOM 848 CB ASN A 94 -2.310 -14.483 6.727 1.00 0.00 C ATOM 849 CG ASN A 94 -3.790 -14.813 6.702 1.00 0.00 C ATOM 850 OD1 ASN A 94 -4.628 -13.942 6.471 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.118 -16.078 6.941 1.00 0.00 N ATOM 0 H ASN A 94 -3.059 -12.041 5.213 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.779 -13.854 5.354 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.737 -15.405 6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.091 -13.874 7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.098 -16.360 6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.390 -16.767 7.128 1.00 0.00 H new ATOM 858 N LEU A 95 -1.905 -15.343 3.648 1.00 0.00 N ATOM 859 CA LEU A 95 -2.450 -16.001 2.466 1.00 0.00 C ATOM 860 C LEU A 95 -2.216 -17.507 2.525 1.00 0.00 C ATOM 861 O LEU A 95 -1.188 -17.982 3.007 1.00 0.00 O ATOM 862 CB LEU A 95 -1.815 -15.424 1.199 1.00 0.00 C ATOM 863 CG LEU A 95 -1.870 -13.903 1.054 1.00 0.00 C ATOM 864 CD1 LEU A 95 -0.681 -13.400 0.250 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.176 -13.476 0.400 1.00 0.00 C ATOM 0 H LEU A 95 -1.013 -15.721 3.968 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.525 -15.819 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.771 -15.735 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.307 -15.869 0.335 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.823 -13.461 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.737 -12.315 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.244 -13.673 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.696 -13.850 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.197 -12.390 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.253 -13.928 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.015 -13.803 1.015 1.00 0.00 H new ATOM 877 N PRO A 96 -3.192 -18.277 2.021 1.00 0.00 N ATOM 878 CA PRO A 96 -3.115 -19.741 2.002 1.00 0.00 C ATOM 879 C PRO A 96 -2.068 -20.254 1.019 1.00 0.00 C ATOM 880 O PRO A 96 -1.783 -19.610 0.010 1.00 0.00 O ATOM 881 CB PRO A 96 -4.518 -20.165 1.559 1.00 0.00 C ATOM 882 CG PRO A 96 -5.038 -19.002 0.787 1.00 0.00 C ATOM 883 CD PRO A 96 -4.445 -17.779 1.431 1.00 0.00 C ATOM 0 HA PRO A 96 -2.818 -20.146 2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.484 -21.065 0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.154 -20.388 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.749 -19.069 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.127 -18.969 0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.260 -16.991 0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.108 -17.363 2.189 1.00 0.00 H new ATOM 891 N ASN A 97 -1.500 -21.417 1.320 1.00 0.00 N ATOM 892 CA ASN A 97 -0.484 -22.016 0.462 1.00 0.00 C ATOM 893 C ASN A 97 -0.828 -21.814 -1.011 1.00 0.00 C ATOM 894 O ASN A 97 -0.018 -21.303 -1.783 1.00 0.00 O ATOM 895 CB ASN A 97 -0.347 -23.509 0.765 1.00 0.00 C ATOM 896 CG ASN A 97 -1.676 -24.155 1.103 1.00 0.00 C ATOM 897 OD1 ASN A 97 -2.345 -23.761 2.058 1.00 0.00 O ATOM 898 ND2 ASN A 97 -2.065 -25.154 0.319 1.00 0.00 N ATOM 0 H ASN A 97 -1.726 -21.963 2.151 1.00 0.00 H new ATOM 0 HA ASN A 97 0.466 -21.522 0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.090 -24.013 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.343 -23.646 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.951 -25.628 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.478 -25.448 -0.462 1.00 0.00 H new ATOM 905 N ALA A 98 -2.036 -22.217 -1.391 1.00 0.00 N ATOM 906 CA ALA A 98 -2.488 -22.078 -2.770 1.00 0.00 C ATOM 907 C ALA A 98 -2.291 -20.652 -3.271 1.00 0.00 C ATOM 908 O ALA A 98 -1.674 -20.428 -4.313 1.00 0.00 O ATOM 909 CB ALA A 98 -3.949 -22.485 -2.889 1.00 0.00 C ATOM 0 H ALA A 98 -2.719 -22.642 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.886 -22.740 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.274 -22.376 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.064 -23.524 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.558 -21.847 -2.249 1.00 0.00 H new ATOM 915 N LYS A 99 -2.820 -19.689 -2.524 1.00 0.00 N ATOM 916 CA LYS A 99 -2.702 -18.283 -2.891 1.00 0.00 C ATOM 917 C LYS A 99 -1.241 -17.892 -3.086 1.00 0.00 C ATOM 918 O LYS A 99 -0.867 -17.350 -4.127 1.00 0.00 O ATOM 919 CB LYS A 99 -3.339 -17.399 -1.816 1.00 0.00 C ATOM 920 CG LYS A 99 -4.812 -17.117 -2.054 1.00 0.00 C ATOM 921 CD LYS A 99 -5.012 -15.882 -2.916 1.00 0.00 C ATOM 922 CE LYS A 99 -6.329 -15.940 -3.676 1.00 0.00 C ATOM 923 NZ LYS A 99 -6.403 -14.897 -4.737 1.00 0.00 N ATOM 0 H LYS A 99 -3.335 -19.857 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.228 -18.134 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.222 -17.881 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.800 -16.453 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.275 -17.978 -2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.316 -16.979 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.992 -14.991 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.187 -15.792 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.445 -16.926 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.157 -15.809 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.399 -14.700 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.945 -14.026 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.916 -15.236 -5.591 1.00 0.00 H new ATOM 937 N ILE A 100 -0.419 -18.171 -2.080 1.00 0.00 N ATOM 938 CA ILE A 100 1.002 -17.851 -2.143 1.00 0.00 C ATOM 939 C ILE A 100 1.567 -18.128 -3.532 1.00 0.00 C ATOM 940 O ILE A 100 2.162 -17.252 -4.159 1.00 0.00 O ATOM 941 CB ILE A 100 1.806 -18.653 -1.104 1.00 0.00 C ATOM 942 CG1 ILE A 100 1.473 -18.176 0.311 1.00 0.00 C ATOM 943 CG2 ILE A 100 3.298 -18.524 -1.374 1.00 0.00 C ATOM 944 CD1 ILE A 100 1.928 -19.129 1.394 1.00 0.00 C ATOM 0 H ILE A 100 -0.713 -18.618 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 100 1.096 -16.788 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 100 1.530 -19.704 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.937 -17.203 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.395 -18.033 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.853 -19.097 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.522 -18.908 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.589 -17.475 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.658 -18.726 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.444 -20.096 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.010 -19.253 1.339 1.00 0.00 H new ATOM 956 N LYS A 101 1.376 -19.354 -4.008 1.00 0.00 N ATOM 957 CA LYS A 101 1.863 -19.748 -5.324 1.00 0.00 C ATOM 958 C LYS A 101 1.138 -18.981 -6.425 1.00 0.00 C ATOM 959 O LYS A 101 1.758 -18.518 -7.382 1.00 0.00 O ATOM 960 CB LYS A 101 1.677 -21.254 -5.530 1.00 0.00 C ATOM 961 CG LYS A 101 1.708 -22.052 -4.238 1.00 0.00 C ATOM 962 CD LYS A 101 2.212 -23.467 -4.470 1.00 0.00 C ATOM 963 CE LYS A 101 1.155 -24.334 -5.134 1.00 0.00 C ATOM 964 NZ LYS A 101 1.743 -25.562 -5.737 1.00 0.00 N ATOM 0 H LYS A 101 0.887 -20.092 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 101 2.925 -19.508 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.726 -21.429 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.460 -21.621 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.350 -21.550 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.708 -22.087 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.105 -23.438 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.503 -23.911 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.402 -24.616 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.646 -23.758 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.990 -26.126 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.444 -25.294 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.207 -26.125 -4.996 1.00 0.00 H new ATOM 978 N GLU A 102 -0.177 -18.849 -6.281 1.00 0.00 N ATOM 979 CA GLU A 102 -0.984 -18.136 -7.264 1.00 0.00 C ATOM 980 C GLU A 102 -0.434 -16.734 -7.508 1.00 0.00 C ATOM 981 O GLU A 102 -0.703 -16.119 -8.540 1.00 0.00 O ATOM 982 CB GLU A 102 -2.439 -18.051 -6.797 1.00 0.00 C ATOM 983 CG GLU A 102 -3.310 -17.168 -7.675 1.00 0.00 C ATOM 984 CD GLU A 102 -4.728 -17.042 -7.152 1.00 0.00 C ATOM 985 OE1 GLU A 102 -4.917 -17.133 -5.921 1.00 0.00 O ATOM 986 OE2 GLU A 102 -5.648 -16.853 -7.975 1.00 0.00 O ATOM 0 H GLU A 102 -0.705 -19.226 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.942 -18.691 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.863 -19.055 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.462 -17.670 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.863 -16.176 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.334 -17.577 -8.685 1.00 0.00 H new ATOM 993 N LEU A 103 0.338 -16.234 -6.549 1.00 0.00 N ATOM 994 CA LEU A 103 0.927 -14.904 -6.657 1.00 0.00 C ATOM 995 C LEU A 103 2.433 -14.992 -6.883 1.00 0.00 C ATOM 996 O LEU A 103 3.180 -14.080 -6.529 1.00 0.00 O ATOM 997 CB LEU A 103 0.637 -14.091 -5.394 1.00 0.00 C ATOM 998 CG LEU A 103 -0.839 -13.913 -5.036 1.00 0.00 C ATOM 999 CD1 LEU A 103 -0.982 -13.329 -3.639 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -1.533 -13.027 -6.060 1.00 0.00 C ATOM 0 H LEU A 103 0.570 -16.730 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 103 0.477 -14.404 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.139 -14.571 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.084 -13.104 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.317 -14.892 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.039 -13.209 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.521 -14.001 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.489 -12.358 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.582 -12.911 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.053 -12.048 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.461 -13.486 -7.046 1.00 0.00 H new ATOM 1012 N LYS A 104 2.873 -16.096 -7.478 1.00 0.00 N ATOM 1013 CA LYS A 104 4.290 -16.303 -7.756 1.00 0.00 C ATOM 1014 C LYS A 104 4.887 -15.095 -8.470 1.00 0.00 C ATOM 1015 O LYS A 104 4.372 -14.651 -9.496 1.00 0.00 O ATOM 1016 CB LYS A 104 4.485 -17.560 -8.607 1.00 0.00 C ATOM 1017 CG LYS A 104 5.925 -18.039 -8.663 1.00 0.00 C ATOM 1018 CD LYS A 104 6.006 -19.537 -8.904 1.00 0.00 C ATOM 1019 CE LYS A 104 5.861 -19.872 -10.381 1.00 0.00 C ATOM 1020 NZ LYS A 104 5.574 -21.318 -10.595 1.00 0.00 N ATOM 0 H LYS A 104 2.269 -16.861 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 104 4.806 -16.432 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.860 -18.359 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.138 -17.360 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.454 -17.513 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.428 -17.792 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.960 -19.915 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.223 -20.041 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.058 -19.274 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.777 -19.602 -10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.482 -21.507 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.352 -21.888 -10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.687 -21.571 -10.115 1.00 0.00 H new ATOM 1034 N GLY A 105 5.977 -14.568 -7.922 1.00 0.00 N ATOM 1035 CA GLY A 105 6.626 -13.416 -8.521 1.00 0.00 C ATOM 1036 C GLY A 105 6.084 -12.104 -7.992 1.00 0.00 C ATOM 1037 O GLY A 105 6.848 -11.200 -7.654 1.00 0.00 O ATOM 0 H GLY A 105 6.423 -14.918 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.698 -13.466 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.494 -13.450 -9.602 1.00 0.00 H new ATOM 1041 N GLU A 106 4.761 -11.998 -7.921 1.00 0.00 N ATOM 1042 CA GLU A 106 4.117 -10.784 -7.431 1.00 0.00 C ATOM 1043 C GLU A 106 4.737 -10.335 -6.111 1.00 0.00 C ATOM 1044 O GLU A 106 5.423 -11.105 -5.440 1.00 0.00 O ATOM 1045 CB GLU A 106 2.615 -11.013 -7.251 1.00 0.00 C ATOM 1046 CG GLU A 106 1.829 -10.950 -8.550 1.00 0.00 C ATOM 1047 CD GLU A 106 2.077 -9.666 -9.319 1.00 0.00 C ATOM 1048 OE1 GLU A 106 1.614 -8.601 -8.861 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.734 -9.728 -10.379 1.00 0.00 O ATOM 0 H GLU A 106 4.114 -12.737 -8.196 1.00 0.00 H new ATOM 0 HA GLU A 106 4.270 -9.998 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.458 -11.987 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.222 -10.265 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.098 -11.801 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.765 -11.039 -8.331 1.00 0.00 H new ATOM 1056 N LYS A 107 4.489 -9.082 -5.745 1.00 0.00 N ATOM 1057 CA LYS A 107 5.021 -8.527 -4.505 1.00 0.00 C ATOM 1058 C LYS A 107 3.899 -8.248 -3.509 1.00 0.00 C ATOM 1059 O LYS A 107 3.037 -7.404 -3.751 1.00 0.00 O ATOM 1060 CB LYS A 107 5.797 -7.240 -4.790 1.00 0.00 C ATOM 1061 CG LYS A 107 6.997 -7.441 -5.699 1.00 0.00 C ATOM 1062 CD LYS A 107 8.087 -6.421 -5.418 1.00 0.00 C ATOM 1063 CE LYS A 107 9.346 -6.715 -6.220 1.00 0.00 C ATOM 1064 NZ LYS A 107 10.171 -7.780 -5.586 1.00 0.00 N ATOM 0 H LYS A 107 3.923 -8.431 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 107 5.697 -9.262 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.124 -6.514 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.135 -6.813 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.394 -8.447 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.683 -7.362 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.724 -5.423 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.323 -6.423 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.071 -7.021 -7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.938 -5.804 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.778 -8.223 -6.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.765 -7.362 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.547 -8.500 -5.168 1.00 0.00 H new ATOM 1078 N VAL A 108 3.918 -8.962 -2.388 1.00 0.00 N ATOM 1079 CA VAL A 108 2.905 -8.788 -1.354 1.00 0.00 C ATOM 1080 C VAL A 108 3.506 -8.181 -0.092 1.00 0.00 C ATOM 1081 O VAL A 108 4.349 -8.794 0.564 1.00 0.00 O ATOM 1082 CB VAL A 108 2.233 -10.127 -0.997 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.024 -9.897 -0.103 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.837 -10.878 -2.260 1.00 0.00 C ATOM 0 H VAL A 108 4.624 -9.666 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 108 2.154 -8.109 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 108 2.950 -10.738 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.563 -10.855 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.340 -9.404 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.302 -9.267 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.364 -11.822 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.138 -10.274 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.726 -11.077 -2.859 1.00 0.00 H new ATOM 1094 N ILE A 109 3.066 -6.973 0.244 1.00 0.00 N ATOM 1095 CA ILE A 109 3.559 -6.283 1.429 1.00 0.00 C ATOM 1096 C ILE A 109 2.480 -6.194 2.503 1.00 0.00 C ATOM 1097 O ILE A 109 1.299 -6.032 2.197 1.00 0.00 O ATOM 1098 CB ILE A 109 4.050 -4.863 1.091 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.844 -4.872 -0.216 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.896 -4.310 2.228 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.062 -5.768 -0.177 1.00 0.00 C ATOM 0 H ILE A 109 2.369 -6.452 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 109 4.397 -6.868 1.808 1.00 0.00 H new ATOM 0 HB ILE A 109 3.182 -4.216 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.191 -5.196 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.159 -3.854 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.235 -3.306 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.300 -4.272 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.760 -4.956 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.576 -5.725 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.736 -5.432 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.753 -6.794 0.023 1.00 0.00 H new ATOM 1113 N ARG A 110 2.895 -6.299 3.761 1.00 0.00 N ATOM 1114 CA ARG A 110 1.963 -6.230 4.881 1.00 0.00 C ATOM 1115 C ARG A 110 1.359 -4.834 4.999 1.00 0.00 C ATOM 1116 O ARG A 110 1.965 -3.834 4.616 1.00 0.00 O ATOM 1117 CB ARG A 110 2.671 -6.604 6.184 1.00 0.00 C ATOM 1118 CG ARG A 110 3.531 -7.852 6.075 1.00 0.00 C ATOM 1119 CD ARG A 110 4.133 -8.234 7.418 1.00 0.00 C ATOM 1120 NE ARG A 110 5.397 -8.949 7.268 1.00 0.00 N ATOM 1121 CZ ARG A 110 6.159 -9.317 8.292 1.00 0.00 C ATOM 1122 NH1 ARG A 110 5.786 -9.040 9.534 1.00 0.00 N ATOM 1123 NH2 ARG A 110 7.297 -9.964 8.075 1.00 0.00 N ATOM 0 H ARG A 110 3.870 -6.432 4.031 1.00 0.00 H new ATOM 0 HA ARG A 110 1.158 -6.941 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.296 -5.769 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.924 -6.755 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.929 -8.678 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.329 -7.683 5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.294 -7.334 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.427 -8.857 7.967 1.00 0.00 H new ATOM 0 HE ARG A 110 5.712 -9.179 6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.912 -8.543 9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.373 -9.324 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.587 -10.179 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.881 -10.246 8.862 1.00 0.00 H new ATOM 1137 N PRO A 111 0.135 -4.764 5.543 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.579 -3.496 5.725 1.00 0.00 C ATOM 1139 C PRO A 111 0.056 -2.622 6.801 1.00 0.00 C ATOM 1140 O PRO A 111 -0.450 -1.547 7.118 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.981 -3.937 6.153 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.785 -5.278 6.771 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.647 -5.916 6.023 1.00 0.00 C ATOM 0 HA PRO A 111 -0.566 -2.888 4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.417 -3.234 6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.657 -3.990 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.553 -5.189 7.832 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.690 -5.880 6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.054 -6.563 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.004 -6.531 5.197 1.00 0.00 H new ATOM 1151 N GLU A 112 1.168 -3.093 7.359 1.00 0.00 N ATOM 1152 CA GLU A 112 1.871 -2.353 8.400 1.00 0.00 C ATOM 1153 C GLU A 112 2.946 -1.454 7.797 1.00 0.00 C ATOM 1154 O GLU A 112 3.258 -0.393 8.338 1.00 0.00 O ATOM 1155 CB GLU A 112 2.503 -3.319 9.405 1.00 0.00 C ATOM 1156 CG GLU A 112 1.519 -3.869 10.423 1.00 0.00 C ATOM 1157 CD GLU A 112 2.099 -5.006 11.241 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.284 -4.914 11.627 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.370 -5.987 11.496 1.00 0.00 O ATOM 0 H GLU A 112 1.600 -3.982 7.108 1.00 0.00 H new ATOM 0 HA GLU A 112 1.145 -1.725 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.954 -4.150 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.309 -2.807 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.208 -3.067 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.625 -4.218 9.906 1.00 0.00 H new ATOM 1166 N TRP A 113 3.509 -1.886 6.675 1.00 0.00 N ATOM 1167 CA TRP A 113 4.550 -1.121 5.998 1.00 0.00 C ATOM 1168 C TRP A 113 4.103 0.318 5.765 1.00 0.00 C ATOM 1169 O TRP A 113 4.816 1.262 6.108 1.00 0.00 O ATOM 1170 CB TRP A 113 4.909 -1.778 4.664 1.00 0.00 C ATOM 1171 CG TRP A 113 5.682 -0.879 3.747 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.844 -0.220 4.033 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.345 -0.538 2.398 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.250 0.510 2.942 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.349 0.331 1.926 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.296 -0.883 1.542 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.330 0.858 0.637 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.279 -0.359 0.264 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.291 0.503 -0.179 1.00 0.00 C ATOM 0 H TRP A 113 3.262 -2.762 6.214 1.00 0.00 H new ATOM 0 HA TRP A 113 5.432 -1.109 6.638 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.493 -2.678 4.856 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.993 -2.093 4.165 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.366 -0.266 4.977 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.087 1.091 2.896 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.512 -1.548 1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.108 1.524 0.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.472 -0.618 -0.405 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.250 0.895 -1.185 1.00 0.00 H new ATOM 1190 N ILE A 114 2.920 0.479 5.181 1.00 0.00 N ATOM 1191 CA ILE A 114 2.379 1.804 4.904 1.00 0.00 C ATOM 1192 C ILE A 114 2.088 2.560 6.196 1.00 0.00 C ATOM 1193 O ILE A 114 2.584 3.666 6.406 1.00 0.00 O ATOM 1194 CB ILE A 114 1.088 1.721 4.069 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.321 0.881 2.811 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.607 3.117 3.699 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.113 0.802 1.905 1.00 0.00 C ATOM 0 H ILE A 114 2.318 -0.292 4.891 1.00 0.00 H new ATOM 0 HA ILE A 114 3.137 2.342 4.334 1.00 0.00 H new ATOM 0 HB ILE A 114 0.316 1.238 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.157 1.302 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.610 -0.128 3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.306 3.043 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.407 3.686 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.376 3.624 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.351 0.191 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.719 0.353 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.164 1.805 1.580 1.00 0.00 H new ATOM 1209 N VAL A 115 1.281 1.953 7.061 1.00 0.00 N ATOM 1210 CA VAL A 115 0.925 2.567 8.335 1.00 0.00 C ATOM 1211 C VAL A 115 2.133 3.240 8.977 1.00 0.00 C ATOM 1212 O VAL A 115 2.085 4.419 9.326 1.00 0.00 O ATOM 1213 CB VAL A 115 0.349 1.529 9.316 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.107 2.159 10.679 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.935 0.928 8.763 1.00 0.00 C ATOM 0 H VAL A 115 0.862 1.037 6.903 1.00 0.00 H new ATOM 0 HA VAL A 115 0.164 3.318 8.123 1.00 0.00 H new ATOM 0 HB VAL A 115 1.077 0.727 9.437 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.300 1.410 11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.048 2.537 11.077 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.601 2.982 10.579 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.328 0.197 9.469 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.671 1.718 8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.727 0.438 7.812 1.00 0.00 H new ATOM 1225 N GLU A 116 3.216 2.484 9.127 1.00 0.00 N ATOM 1226 CA GLU A 116 4.437 3.008 9.727 1.00 0.00 C ATOM 1227 C GLU A 116 5.016 4.139 8.882 1.00 0.00 C ATOM 1228 O GLU A 116 5.439 5.168 9.408 1.00 0.00 O ATOM 1229 CB GLU A 116 5.473 1.894 9.888 1.00 0.00 C ATOM 1230 CG GLU A 116 5.087 0.849 10.921 1.00 0.00 C ATOM 1231 CD GLU A 116 5.206 1.362 12.343 1.00 0.00 C ATOM 1232 OE1 GLU A 116 4.230 1.959 12.843 1.00 0.00 O ATOM 1233 OE2 GLU A 116 6.277 1.168 12.955 1.00 0.00 O ATOM 0 H GLU A 116 3.273 1.507 8.841 1.00 0.00 H new ATOM 0 HA GLU A 116 4.186 3.404 10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.620 1.404 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.429 2.336 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.062 0.526 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.723 -0.028 10.801 1.00 0.00 H new ATOM 1240 N SER A 117 5.033 3.938 7.568 1.00 0.00 N ATOM 1241 CA SER A 117 5.564 4.938 6.649 1.00 0.00 C ATOM 1242 C SER A 117 4.820 6.262 6.796 1.00 0.00 C ATOM 1243 O SER A 117 5.416 7.335 6.701 1.00 0.00 O ATOM 1244 CB SER A 117 5.461 4.440 5.205 1.00 0.00 C ATOM 1245 OG SER A 117 6.286 3.306 4.997 1.00 0.00 O ATOM 0 H SER A 117 4.685 3.092 7.116 1.00 0.00 H new ATOM 0 HA SER A 117 6.613 5.102 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.426 4.187 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.753 5.237 4.520 1.00 0.00 H new ATOM 0 HG SER A 117 5.870 2.519 5.406 1.00 0.00 H new ATOM 1251 N ILE A 118 3.514 6.176 7.029 1.00 0.00 N ATOM 1252 CA ILE A 118 2.688 7.366 7.190 1.00 0.00 C ATOM 1253 C ILE A 118 3.062 8.127 8.458 1.00 0.00 C ATOM 1254 O ILE A 118 3.427 9.302 8.406 1.00 0.00 O ATOM 1255 CB ILE A 118 1.191 7.010 7.242 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.782 6.249 5.979 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.352 8.268 7.405 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.360 5.282 6.200 1.00 0.00 C ATOM 0 H ILE A 118 3.006 5.295 7.110 1.00 0.00 H new ATOM 0 HA ILE A 118 2.873 7.998 6.321 1.00 0.00 H new ATOM 0 HB ILE A 118 1.015 6.367 8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.497 6.966 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.644 5.700 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.704 7.999 7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.629 8.773 8.331 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.529 8.935 6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.597 4.778 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.071 4.542 6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.236 5.828 6.550 1.00 0.00 H new ATOM 1270 N LYS A 119 2.971 7.449 9.597 1.00 0.00 N ATOM 1271 CA LYS A 119 3.303 8.058 10.879 1.00 0.00 C ATOM 1272 C LYS A 119 4.644 8.781 10.808 1.00 0.00 C ATOM 1273 O LYS A 119 4.794 9.885 11.330 1.00 0.00 O ATOM 1274 CB LYS A 119 3.343 6.994 11.978 1.00 0.00 C ATOM 1275 CG LYS A 119 1.980 6.413 12.312 1.00 0.00 C ATOM 1276 CD LYS A 119 2.044 5.504 13.528 1.00 0.00 C ATOM 1277 CE LYS A 119 0.655 5.082 13.982 1.00 0.00 C ATOM 1278 NZ LYS A 119 0.712 4.113 15.112 1.00 0.00 N ATOM 0 H LYS A 119 2.670 6.476 9.658 1.00 0.00 H new ATOM 0 HA LYS A 119 2.529 8.788 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.006 6.187 11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.773 7.431 12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.274 7.222 12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.603 5.852 11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.635 4.619 13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.553 6.019 14.342 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.089 5.962 14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.120 4.633 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.254 3.850 15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.230 3.262 14.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.200 4.550 15.920 1.00 0.00 H new ATOM 1292 N ALA A 120 5.616 8.151 10.156 1.00 0.00 N ATOM 1293 CA ALA A 120 6.944 8.736 10.013 1.00 0.00 C ATOM 1294 C ALA A 120 6.939 9.864 8.987 1.00 0.00 C ATOM 1295 O ALA A 120 7.788 10.754 9.024 1.00 0.00 O ATOM 1296 CB ALA A 120 7.952 7.667 9.621 1.00 0.00 C ATOM 0 H ALA A 120 5.509 7.236 9.719 1.00 0.00 H new ATOM 0 HA ALA A 120 7.234 9.157 10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.939 8.118 9.518 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.984 6.897 10.392 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.657 7.219 8.672 1.00 0.00 H new ATOM 1302 N GLY A 121 5.978 9.819 8.069 1.00 0.00 N ATOM 1303 CA GLY A 121 5.882 10.842 7.044 1.00 0.00 C ATOM 1304 C GLY A 121 6.890 10.643 5.930 1.00 0.00 C ATOM 1305 O GLY A 121 7.114 11.541 5.119 1.00 0.00 O ATOM 0 H GLY A 121 5.264 9.092 8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.876 10.838 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.035 11.821 7.497 1.00 0.00 H new ATOM 1309 N ARG A 122 7.500 9.463 5.890 1.00 0.00 N ATOM 1310 CA ARG A 122 8.492 9.150 4.869 1.00 0.00 C ATOM 1311 C ARG A 122 8.638 7.640 4.698 1.00 0.00 C ATOM 1312 O ARG A 122 8.832 6.910 5.671 1.00 0.00 O ATOM 1313 CB ARG A 122 9.843 9.766 5.234 1.00 0.00 C ATOM 1314 CG ARG A 122 10.342 9.368 6.613 1.00 0.00 C ATOM 1315 CD ARG A 122 11.861 9.386 6.684 1.00 0.00 C ATOM 1316 NE ARG A 122 12.388 10.746 6.763 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.660 11.055 6.535 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.529 10.106 6.215 1.00 0.00 N ATOM 1319 NH2 ARG A 122 14.064 12.315 6.627 1.00 0.00 N ATOM 0 H ARG A 122 7.324 8.708 6.553 1.00 0.00 H new ATOM 0 HA ARG A 122 8.151 9.574 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.581 9.468 4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 122 9.762 10.852 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.934 10.050 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.977 8.371 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.190 8.818 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.271 8.889 5.805 1.00 0.00 H new ATOM 0 HE ARG A 122 11.745 11.499 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.222 9.136 6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.505 10.346 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.398 13.047 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.041 12.552 6.452 1.00 0.00 H new ATOM 1333 N LEU A 123 8.544 7.179 3.456 1.00 0.00 N ATOM 1334 CA LEU A 123 8.665 5.756 3.157 1.00 0.00 C ATOM 1335 C LEU A 123 9.818 5.132 3.937 1.00 0.00 C ATOM 1336 O LEU A 123 10.934 5.652 3.938 1.00 0.00 O ATOM 1337 CB LEU A 123 8.878 5.547 1.656 1.00 0.00 C ATOM 1338 CG LEU A 123 8.325 4.244 1.076 1.00 0.00 C ATOM 1339 CD1 LEU A 123 8.626 4.153 -0.412 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.902 3.045 1.813 1.00 0.00 C ATOM 0 H LEU A 123 8.384 7.769 2.640 1.00 0.00 H new ATOM 0 HA LEU A 123 7.739 5.266 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.420 6.381 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.948 5.587 1.452 1.00 0.00 H new ATOM 0 HG LEU A 123 7.243 4.240 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 123 8.225 3.220 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.164 4.994 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.705 4.180 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.497 2.127 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.987 3.044 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.635 3.104 2.868 1.00 0.00 H new ATOM 1352 N LEU A 124 9.540 4.014 4.599 1.00 0.00 N ATOM 1353 CA LEU A 124 10.555 3.317 5.382 1.00 0.00 C ATOM 1354 C LEU A 124 11.242 2.241 4.547 1.00 0.00 C ATOM 1355 O LEU A 124 12.381 2.412 4.113 1.00 0.00 O ATOM 1356 CB LEU A 124 9.924 2.688 6.626 1.00 0.00 C ATOM 1357 CG LEU A 124 9.633 3.642 7.785 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.648 3.013 8.759 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.923 4.021 8.499 1.00 0.00 C ATOM 0 H LEU A 124 8.621 3.571 4.609 1.00 0.00 H new ATOM 0 HA LEU A 124 11.305 4.045 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.990 2.209 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.586 1.901 6.987 1.00 0.00 H new ATOM 0 HG LEU A 124 9.184 4.549 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.453 3.706 9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.715 2.791 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.070 2.090 9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.698 4.700 9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.399 3.122 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.597 4.512 7.797 1.00 0.00 H new ATOM 1371 N SER A 125 10.542 1.133 4.326 1.00 0.00 N ATOM 1372 CA SER A 125 11.085 0.028 3.545 1.00 0.00 C ATOM 1373 C SER A 125 10.037 -1.062 3.343 1.00 0.00 C ATOM 1374 O SER A 125 9.183 -1.284 4.202 1.00 0.00 O ATOM 1375 CB SER A 125 12.318 -0.556 4.237 1.00 0.00 C ATOM 1376 OG SER A 125 13.473 0.216 3.959 1.00 0.00 O ATOM 0 H SER A 125 9.597 0.977 4.677 1.00 0.00 H new ATOM 0 HA SER A 125 11.374 0.414 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.152 -0.592 5.314 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.474 -1.582 3.904 1.00 0.00 H new ATOM 0 HG SER A 125 13.383 1.100 4.373 1.00 0.00 H new ATOM 1382 N TYR A 126 10.108 -1.737 2.201 1.00 0.00 N ATOM 1383 CA TYR A 126 9.164 -2.803 1.884 1.00 0.00 C ATOM 1384 C TYR A 126 9.852 -4.164 1.907 1.00 0.00 C ATOM 1385 O TYR A 126 9.210 -5.192 2.127 1.00 0.00 O ATOM 1386 CB TYR A 126 8.532 -2.561 0.512 1.00 0.00 C ATOM 1387 CG TYR A 126 9.465 -2.848 -0.643 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.662 -4.147 -1.096 1.00 0.00 C ATOM 1389 CD2 TYR A 126 10.149 -1.821 -1.281 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.514 -4.414 -2.151 1.00 0.00 C ATOM 1391 CE2 TYR A 126 11.002 -2.078 -2.337 1.00 0.00 C ATOM 1392 CZ TYR A 126 11.181 -3.376 -2.768 1.00 0.00 C ATOM 1393 OH TYR A 126 12.030 -3.637 -3.819 1.00 0.00 O ATOM 0 H TYR A 126 10.809 -1.565 1.480 1.00 0.00 H new ATOM 0 HA TYR A 126 8.382 -2.799 2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.644 -3.186 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.201 -1.524 0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.141 -4.962 -0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 126 10.012 -0.804 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.657 -5.429 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 126 11.526 -1.267 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 126 12.419 -2.797 -4.141 1.00 0.00 H new ATOM 1403 N ILE A 127 11.161 -4.163 1.679 1.00 0.00 N ATOM 1404 CA ILE A 127 11.937 -5.396 1.675 1.00 0.00 C ATOM 1405 C ILE A 127 11.656 -6.227 2.923 1.00 0.00 C ATOM 1406 O ILE A 127 11.219 -7.375 2.849 1.00 0.00 O ATOM 1407 CB ILE A 127 13.448 -5.111 1.592 1.00 0.00 C ATOM 1408 CG1 ILE A 127 13.902 -5.075 0.131 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.229 -6.160 2.369 1.00 0.00 C ATOM 1410 CD1 ILE A 127 13.605 -6.350 -0.626 1.00 0.00 C ATOM 0 H ILE A 127 11.706 -3.321 1.495 1.00 0.00 H new ATOM 0 HA ILE A 127 11.632 -5.957 0.791 1.00 0.00 H new ATOM 0 HB ILE A 127 13.644 -4.136 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.413 -4.241 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 127 14.974 -4.883 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.295 -5.944 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.922 -6.142 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.031 -7.146 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.954 -6.253 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.116 -7.185 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.530 -6.533 -0.624 1.00 0.00 H new ATOM 1422 N PRO A 128 11.910 -5.632 4.098 1.00 0.00 N ATOM 1423 CA PRO A 128 11.689 -6.298 5.386 1.00 0.00 C ATOM 1424 C PRO A 128 10.208 -6.491 5.692 1.00 0.00 C ATOM 1425 O PRO A 128 9.847 -7.071 6.717 1.00 0.00 O ATOM 1426 CB PRO A 128 12.324 -5.337 6.395 1.00 0.00 C ATOM 1427 CG PRO A 128 12.271 -4.004 5.733 1.00 0.00 C ATOM 1428 CD PRO A 128 12.432 -4.265 4.261 1.00 0.00 C ATOM 0 HA PRO A 128 12.115 -7.301 5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.776 -5.333 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.350 -5.625 6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.325 -3.503 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.063 -3.353 6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.872 -3.547 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.475 -4.194 3.952 1.00 0.00 H new ATOM 1436 N TYR A 129 9.356 -6.002 4.799 1.00 0.00 N ATOM 1437 CA TYR A 129 7.913 -6.120 4.975 1.00 0.00 C ATOM 1438 C TYR A 129 7.326 -7.138 4.002 1.00 0.00 C ATOM 1439 O TYR A 129 6.133 -7.435 4.044 1.00 0.00 O ATOM 1440 CB TYR A 129 7.241 -4.760 4.775 1.00 0.00 C ATOM 1441 CG TYR A 129 7.343 -3.851 5.979 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.489 -3.102 6.213 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.293 -3.743 6.883 1.00 0.00 C ATOM 1444 CE1 TYR A 129 8.586 -2.270 7.313 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.381 -2.913 7.984 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.530 -2.179 8.194 1.00 0.00 C ATOM 1447 OH TYR A 129 7.622 -1.353 9.291 1.00 0.00 O ATOM 0 H TYR A 129 9.639 -5.520 3.946 1.00 0.00 H new ATOM 0 HA TYR A 129 7.724 -6.466 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.693 -4.264 3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.189 -4.916 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.318 -3.171 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.393 -4.318 6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.484 -1.695 7.481 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.555 -2.839 8.676 1.00 0.00 H new ATOM 0 HH TYR A 129 8.206 -0.594 9.081 1.00 0.00 H new ATOM 1457 N GLN A 130 8.175 -7.668 3.127 1.00 0.00 N ATOM 1458 CA GLN A 130 7.741 -8.653 2.143 1.00 0.00 C ATOM 1459 C GLN A 130 7.535 -10.017 2.793 1.00 0.00 C ATOM 1460 O GLN A 130 8.456 -10.579 3.387 1.00 0.00 O ATOM 1461 CB GLN A 130 8.767 -8.762 1.014 1.00 0.00 C ATOM 1462 CG GLN A 130 8.514 -7.798 -0.134 1.00 0.00 C ATOM 1463 CD GLN A 130 9.576 -7.882 -1.211 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.839 -7.853 -0.802 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.266 -7.972 -2.400 1.00 0.00 N flip ATOM 0 H GLN A 130 9.166 -7.432 3.079 1.00 0.00 H new ATOM 0 HA GLN A 130 6.789 -8.321 1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.762 -8.578 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.764 -9.782 0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.539 -8.010 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.475 -6.780 0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.283 -7.991 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.993 -8.028 -3.114 1.00 0.00 H new ATOM 1474 N LEU A 131 6.321 -10.544 2.677 1.00 0.00 N ATOM 1475 CA LEU A 131 5.993 -11.844 3.253 1.00 0.00 C ATOM 1476 C LEU A 131 6.689 -12.968 2.493 1.00 0.00 C ATOM 1477 O LEU A 131 7.668 -13.542 2.973 1.00 0.00 O ATOM 1478 CB LEU A 131 4.479 -12.063 3.237 1.00 0.00 C ATOM 1479 CG LEU A 131 3.669 -11.221 4.223 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.219 -11.123 3.775 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.756 -11.809 5.624 1.00 0.00 C ATOM 0 H LEU A 131 5.548 -10.092 2.190 1.00 0.00 H new ATOM 0 HA LEU A 131 6.345 -11.856 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.113 -11.860 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 131 4.282 -13.115 3.441 1.00 0.00 H new ATOM 0 HG LEU A 131 4.091 -10.216 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.658 -10.520 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.173 -10.657 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.786 -12.122 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.174 -11.197 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.360 -12.824 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.797 -11.828 5.947 1.00 0.00 H new ATOM 1493 N TYR A 132 6.180 -13.276 1.306 1.00 0.00 N ATOM 1494 CA TYR A 132 6.753 -14.332 0.480 1.00 0.00 C ATOM 1495 C TYR A 132 7.377 -13.754 -0.787 1.00 0.00 C ATOM 1496 O TYR A 132 6.752 -13.733 -1.848 1.00 0.00 O ATOM 1497 CB TYR A 132 5.680 -15.358 0.111 1.00 0.00 C ATOM 1498 CG TYR A 132 4.624 -15.541 1.177 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.487 -14.742 1.201 1.00 0.00 C ATOM 1500 CD2 TYR A 132 4.763 -16.512 2.161 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.521 -14.905 2.174 1.00 0.00 C ATOM 1502 CE2 TYR A 132 3.800 -16.683 3.137 1.00 0.00 C ATOM 1503 CZ TYR A 132 2.681 -15.877 3.140 1.00 0.00 C ATOM 1504 OH TYR A 132 1.720 -16.043 4.110 1.00 0.00 O ATOM 0 H TYR A 132 5.372 -12.810 0.894 1.00 0.00 H new ATOM 0 HA TYR A 132 7.536 -14.826 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 132 5.198 -15.049 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 132 6.159 -16.318 -0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 132 3.357 -13.981 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 132 5.639 -17.144 2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.644 -14.275 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.923 -17.444 3.894 1.00 0.00 H new ATOM 0 HH TYR A 132 1.985 -16.770 4.712 1.00 0.00 H new