USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=23 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+ 155:sc= 0.907 (180deg=0) USER MOD Set 1.2: A 126 TYR OH : rot 180:sc= 0.76 USER MOD Set 2.1: A 94 ASN : amide:sc= -0.083 K(o=0.9,f=0.39) USER MOD Set 2.2: A 132 TYR OH : rot 30:sc= 0.984 USER MOD Set 3.1: A 88 THR OG1 : rot 116:sc= 1.27 USER MOD Set 3.2: A 89 HIS : no HD1:sc= 0.997 K(o=2.3,f=-3.4) USER MOD Set 4.1: A 79 HIS : no HD1:sc= -6.4! C(o=-4.9!,f=-9.3!) USER MOD Set 4.2: A 87 THR OG1 : rot -50:sc= 1.46 USER MOD Set 5.1: A 55 TYR OH : rot 150:sc= 0 USER MOD Set 5.2: A 57 ASN : amide:sc= -0.717 K(o=-0.72,f=-2.4!) USER MOD Single : A 47 THR OG1 : rot -23:sc= 0.393 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 52:sc= 0.258 USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.453 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 144:sc= -0.587 (180deg=-2.54) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 77 GLN : amide:sc= -1.03 K(o=-1,f=-1.5) USER MOD Single : A 78 TYR OH : rot 120:sc= -1.37 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= -0.34 USER MOD Single : A 83 SER OG : rot 180:sc= 0 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 118:sc= -0.0763 USER MOD Single : A 97 ASN : amide:sc= 0.158 K(o=0.16,f=-1.6!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 92:sc= 1.11 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 129 TYR OH : rot -167:sc= 0.968 USER MOD Single : A 130 GLN :FLIP amide:sc= -1.4 F(o=-3.5!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.239 13.136 -1.076 1.00 0.00 N ATOM 103 CA THR A 47 4.152 12.308 -2.272 1.00 0.00 C ATOM 104 C THR A 47 5.095 11.114 -2.184 1.00 0.00 C ATOM 105 O THR A 47 5.761 10.764 -3.159 1.00 0.00 O ATOM 106 CB THR A 47 4.484 13.117 -3.540 1.00 0.00 C ATOM 107 OG1 THR A 47 5.551 14.033 -3.272 1.00 0.00 O ATOM 108 CG2 THR A 47 3.263 13.883 -4.029 1.00 0.00 C ATOM 0 HA THR A 47 3.124 11.952 -2.336 1.00 0.00 H new ATOM 0 HB THR A 47 4.792 12.419 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.590 14.218 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.522 14.447 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.462 13.181 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.930 14.571 -3.252 1.00 0.00 H new ATOM 116 N ILE A 48 5.145 10.490 -1.012 1.00 0.00 N ATOM 117 CA ILE A 48 6.005 9.333 -0.799 1.00 0.00 C ATOM 118 C ILE A 48 5.452 8.100 -1.504 1.00 0.00 C ATOM 119 O ILE A 48 6.203 7.205 -1.893 1.00 0.00 O ATOM 120 CB ILE A 48 6.169 9.022 0.701 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.799 8.919 1.375 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.017 10.091 1.374 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.844 8.259 2.736 1.00 0.00 C ATOM 0 H ILE A 48 4.600 10.766 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 48 6.979 9.583 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 48 6.678 8.064 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.378 9.919 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.126 8.355 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.124 9.857 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.002 10.121 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.534 11.062 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.838 8.220 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.235 7.247 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.491 8.835 3.398 1.00 0.00 H new ATOM 135 N PHE A 49 4.134 8.060 -1.668 1.00 0.00 N ATOM 136 CA PHE A 49 3.479 6.936 -2.329 1.00 0.00 C ATOM 137 C PHE A 49 2.995 7.331 -3.721 1.00 0.00 C ATOM 138 O PHE A 49 1.944 6.879 -4.175 1.00 0.00 O ATOM 139 CB PHE A 49 2.301 6.439 -1.488 1.00 0.00 C ATOM 140 CG PHE A 49 2.718 5.722 -0.236 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.293 4.463 -0.302 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.534 6.306 1.007 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.678 3.800 0.848 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.918 5.648 2.160 1.00 0.00 C ATOM 145 CZ PHE A 49 3.489 4.393 2.081 1.00 0.00 C ATOM 0 H PHE A 49 3.498 8.792 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 49 4.208 6.132 -2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.673 7.289 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.689 5.770 -2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.442 3.994 -1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.086 7.286 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.126 2.820 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.772 6.115 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.787 3.876 2.981 1.00 0.00 H new ATOM 155 N SER A 50 3.769 8.177 -4.393 1.00 0.00 N ATOM 156 CA SER A 50 3.418 8.636 -5.731 1.00 0.00 C ATOM 157 C SER A 50 3.539 7.501 -6.744 1.00 0.00 C ATOM 158 O SER A 50 4.577 6.849 -6.842 1.00 0.00 O ATOM 159 CB SER A 50 4.318 9.802 -6.145 1.00 0.00 C ATOM 160 OG SER A 50 3.818 10.444 -7.306 1.00 0.00 O ATOM 0 H SER A 50 4.644 8.558 -4.032 1.00 0.00 H new ATOM 0 HA SER A 50 2.382 8.974 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.386 10.521 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.328 9.437 -6.333 1.00 0.00 H new ATOM 0 HG SER A 50 4.409 11.187 -7.550 1.00 0.00 H new ATOM 166 N GLY A 51 2.467 7.272 -7.497 1.00 0.00 N ATOM 167 CA GLY A 51 2.472 6.216 -8.493 1.00 0.00 C ATOM 168 C GLY A 51 2.574 4.836 -7.874 1.00 0.00 C ATOM 169 O GLY A 51 3.260 3.961 -8.401 1.00 0.00 O ATOM 0 H GLY A 51 1.596 7.799 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.561 6.278 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.309 6.368 -9.175 1.00 0.00 H new ATOM 173 N VAL A 52 1.890 4.641 -6.751 1.00 0.00 N ATOM 174 CA VAL A 52 1.907 3.358 -6.059 1.00 0.00 C ATOM 175 C VAL A 52 0.492 2.882 -5.749 1.00 0.00 C ATOM 176 O VAL A 52 -0.148 3.371 -4.818 1.00 0.00 O ATOM 177 CB VAL A 52 2.709 3.438 -4.746 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.590 2.138 -3.967 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.166 3.767 -5.032 1.00 0.00 C ATOM 0 H VAL A 52 1.317 5.355 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 52 2.389 2.645 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 52 2.293 4.238 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.163 2.214 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.543 1.950 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.979 1.316 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.718 3.820 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.597 2.990 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.228 4.727 -5.544 1.00 0.00 H new ATOM 189 N ALA A 53 0.010 1.925 -6.535 1.00 0.00 N ATOM 190 CA ALA A 53 -1.328 1.381 -6.343 1.00 0.00 C ATOM 191 C ALA A 53 -1.288 0.107 -5.505 1.00 0.00 C ATOM 192 O ALA A 53 -0.466 -0.778 -5.744 1.00 0.00 O ATOM 193 CB ALA A 53 -1.986 1.109 -7.688 1.00 0.00 C ATOM 0 H ALA A 53 0.527 1.511 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.920 2.121 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.985 0.703 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.058 2.039 -8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.387 0.390 -8.247 1.00 0.00 H new ATOM 199 N ILE A 54 -2.179 0.022 -4.523 1.00 0.00 N ATOM 200 CA ILE A 54 -2.245 -1.143 -3.651 1.00 0.00 C ATOM 201 C ILE A 54 -3.621 -1.798 -3.710 1.00 0.00 C ATOM 202 O ILE A 54 -4.627 -1.131 -3.954 1.00 0.00 O ATOM 203 CB ILE A 54 -1.928 -0.772 -2.190 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.929 0.266 -1.676 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.505 -0.246 -2.074 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.170 0.186 -0.185 1.00 0.00 C ATOM 0 H ILE A 54 -2.865 0.747 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.494 -1.847 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.015 -1.668 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.566 1.263 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.877 0.133 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.296 0.012 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.195 -1.013 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.393 0.641 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.889 0.950 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.563 -0.799 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.231 0.349 0.345 1.00 0.00 H new ATOM 218 N TYR A 55 -3.658 -3.106 -3.483 1.00 0.00 N ATOM 219 CA TYR A 55 -4.911 -3.851 -3.511 1.00 0.00 C ATOM 220 C TYR A 55 -5.067 -4.703 -2.255 1.00 0.00 C ATOM 221 O TYR A 55 -4.389 -5.717 -2.090 1.00 0.00 O ATOM 222 CB TYR A 55 -4.972 -4.741 -4.754 1.00 0.00 C ATOM 223 CG TYR A 55 -5.908 -5.919 -4.610 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.285 -5.738 -4.579 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.416 -7.214 -4.504 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.145 -6.811 -4.447 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.267 -8.294 -4.373 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.631 -8.087 -4.345 1.00 0.00 C ATOM 229 OH TYR A 55 -8.483 -9.160 -4.213 1.00 0.00 O ATOM 0 H TYR A 55 -2.835 -3.672 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.730 -3.133 -3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.287 -4.139 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.970 -5.109 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.691 -4.740 -4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.349 -7.379 -4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.213 -6.652 -4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.867 -9.294 -4.293 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.074 -9.954 -4.617 1.00 0.00 H new ATOM 239 N VAL A 56 -5.966 -4.282 -1.371 1.00 0.00 N ATOM 240 CA VAL A 56 -6.214 -5.006 -0.130 1.00 0.00 C ATOM 241 C VAL A 56 -7.001 -6.286 -0.387 1.00 0.00 C ATOM 242 O VAL A 56 -8.093 -6.252 -0.953 1.00 0.00 O ATOM 243 CB VAL A 56 -6.985 -4.137 0.882 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.136 -4.867 2.208 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.286 -2.800 1.077 1.00 0.00 C ATOM 0 H VAL A 56 -6.534 -3.444 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.240 -5.260 0.288 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.982 -3.946 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.683 -4.237 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.684 -5.796 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.150 -5.091 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.844 -2.199 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.276 -2.968 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.236 -2.273 0.124 1.00 0.00 H new ATOM 255 N ASN A 57 -6.439 -7.414 0.033 1.00 0.00 N ATOM 256 CA ASN A 57 -7.089 -8.707 -0.152 1.00 0.00 C ATOM 257 C ASN A 57 -7.373 -9.371 1.192 1.00 0.00 C ATOM 258 O ASN A 57 -6.453 -9.692 1.944 1.00 0.00 O ATOM 259 CB ASN A 57 -6.214 -9.622 -1.011 1.00 0.00 C ATOM 260 CG ASN A 57 -6.855 -10.975 -1.252 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.171 -11.702 -0.310 1.00 0.00 O ATOM 262 ND2 ASN A 57 -7.050 -11.320 -2.520 1.00 0.00 N ATOM 0 H ASN A 57 -5.535 -7.460 0.504 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.038 -8.539 -0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.019 -9.140 -1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.250 -9.762 -0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.477 -12.219 -2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.773 -10.686 -3.269 1.00 0.00 H new ATOM 269 N GLY A 58 -8.653 -9.573 1.487 1.00 0.00 N ATOM 270 CA GLY A 58 -9.036 -10.198 2.740 1.00 0.00 C ATOM 271 C GLY A 58 -9.078 -9.212 3.890 1.00 0.00 C ATOM 272 O GLY A 58 -9.371 -8.032 3.696 1.00 0.00 O ATOM 0 H GLY A 58 -9.432 -9.315 0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.016 -10.661 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.331 -10.996 2.975 1.00 0.00 H new ATOM 276 N TYR A 59 -8.786 -9.695 5.093 1.00 0.00 N ATOM 277 CA TYR A 59 -8.795 -8.849 6.280 1.00 0.00 C ATOM 278 C TYR A 59 -7.399 -8.308 6.574 1.00 0.00 C ATOM 279 O TYR A 59 -6.431 -9.065 6.658 1.00 0.00 O ATOM 280 CB TYR A 59 -9.316 -9.632 7.486 1.00 0.00 C ATOM 281 CG TYR A 59 -9.265 -8.854 8.781 1.00 0.00 C ATOM 282 CD1 TYR A 59 -8.050 -8.514 9.363 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.432 -8.458 9.423 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.999 -7.804 10.547 1.00 0.00 C ATOM 285 CE2 TYR A 59 -10.391 -7.746 10.606 1.00 0.00 C ATOM 286 CZ TYR A 59 -9.172 -7.422 11.164 1.00 0.00 C ATOM 287 OH TYR A 59 -9.126 -6.714 12.343 1.00 0.00 O ATOM 0 H TYR A 59 -8.540 -10.669 5.271 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.459 -8.006 6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.345 -9.935 7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.730 -10.544 7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.130 -8.810 8.882 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.388 -8.711 8.989 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.046 -7.550 10.987 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.308 -7.445 11.091 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.536 -5.938 12.236 1.00 0.00 H new ATOM 297 N THR A 60 -7.303 -6.991 6.732 1.00 0.00 N ATOM 298 CA THR A 60 -6.027 -6.347 7.017 1.00 0.00 C ATOM 299 C THR A 60 -6.195 -5.218 8.028 1.00 0.00 C ATOM 300 O THR A 60 -7.309 -4.756 8.277 1.00 0.00 O ATOM 301 CB THR A 60 -5.385 -5.783 5.736 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.331 -4.974 5.029 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.896 -6.907 4.835 1.00 0.00 C ATOM 0 H THR A 60 -8.094 -6.350 6.667 1.00 0.00 H new ATOM 0 HA THR A 60 -5.373 -7.112 7.436 1.00 0.00 H new ATOM 0 HB THR A 60 -4.529 -5.172 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.880 -4.181 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.447 -6.484 3.937 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.154 -7.502 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.737 -7.541 4.555 1.00 0.00 H new ATOM 311 N ASP A 61 -5.083 -4.778 8.606 1.00 0.00 N ATOM 312 CA ASP A 61 -5.107 -3.701 9.589 1.00 0.00 C ATOM 313 C ASP A 61 -4.046 -2.652 9.272 1.00 0.00 C ATOM 314 O ASP A 61 -2.852 -2.943 9.203 1.00 0.00 O ATOM 315 CB ASP A 61 -4.885 -4.260 10.996 1.00 0.00 C ATOM 316 CG ASP A 61 -6.081 -5.040 11.505 1.00 0.00 C ATOM 317 OD1 ASP A 61 -7.224 -4.649 11.185 1.00 0.00 O ATOM 318 OD2 ASP A 61 -5.875 -6.041 12.222 1.00 0.00 O ATOM 0 H ASP A 61 -4.154 -5.150 8.411 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.087 -3.225 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.008 -4.907 10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.672 -3.439 11.681 1.00 0.00 H new ATOM 323 N PRO A 62 -4.490 -1.403 9.073 1.00 0.00 N ATOM 324 CA PRO A 62 -5.910 -1.045 9.151 1.00 0.00 C ATOM 325 C PRO A 62 -6.718 -1.621 7.994 1.00 0.00 C ATOM 326 O PRO A 62 -6.158 -2.183 7.052 1.00 0.00 O ATOM 327 CB PRO A 62 -5.895 0.484 9.083 1.00 0.00 C ATOM 328 CG PRO A 62 -4.633 0.819 8.365 1.00 0.00 C ATOM 329 CD PRO A 62 -3.641 -0.242 8.754 1.00 0.00 C ATOM 0 HA PRO A 62 -6.381 -1.441 10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.766 0.865 8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.912 0.925 10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.789 0.831 7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.275 1.810 8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.948 -0.462 7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.040 0.064 9.611 1.00 0.00 H new ATOM 337 N SER A 63 -8.037 -1.479 8.070 1.00 0.00 N ATOM 338 CA SER A 63 -8.923 -1.989 7.030 1.00 0.00 C ATOM 339 C SER A 63 -8.581 -1.375 5.676 1.00 0.00 C ATOM 340 O SER A 63 -7.661 -0.565 5.565 1.00 0.00 O ATOM 341 CB SER A 63 -10.382 -1.694 7.383 1.00 0.00 C ATOM 342 OG SER A 63 -10.798 -2.450 8.507 1.00 0.00 O ATOM 0 H SER A 63 -8.516 -1.015 8.841 1.00 0.00 H new ATOM 0 HA SER A 63 -8.784 -3.068 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.501 -0.631 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.020 -1.925 6.530 1.00 0.00 H new ATOM 0 HG SER A 63 -11.733 -2.242 8.713 1.00 0.00 H new ATOM 348 N ALA A 64 -9.328 -1.767 4.650 1.00 0.00 N ATOM 349 CA ALA A 64 -9.106 -1.255 3.303 1.00 0.00 C ATOM 350 C ALA A 64 -9.585 0.188 3.180 1.00 0.00 C ATOM 351 O ALA A 64 -8.919 1.021 2.565 1.00 0.00 O ATOM 352 CB ALA A 64 -9.809 -2.136 2.281 1.00 0.00 C ATOM 0 H ALA A 64 -10.093 -2.438 4.725 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.034 -1.273 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.635 -1.742 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.417 -3.151 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.880 -2.147 2.485 1.00 0.00 H new ATOM 358 N GLU A 65 -10.742 0.475 3.767 1.00 0.00 N ATOM 359 CA GLU A 65 -11.309 1.818 3.720 1.00 0.00 C ATOM 360 C GLU A 65 -10.321 2.845 4.265 1.00 0.00 C ATOM 361 O GLU A 65 -10.200 3.948 3.732 1.00 0.00 O ATOM 362 CB GLU A 65 -12.613 1.873 4.519 1.00 0.00 C ATOM 363 CG GLU A 65 -13.412 3.145 4.292 1.00 0.00 C ATOM 364 CD GLU A 65 -14.861 3.008 4.720 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.405 1.888 4.624 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.450 4.021 5.151 1.00 0.00 O ATOM 0 H GLU A 65 -11.305 -0.203 4.280 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.519 2.060 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.229 1.014 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.383 1.783 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.950 3.963 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.373 3.411 3.236 1.00 0.00 H new ATOM 373 N GLU A 66 -9.619 2.474 5.331 1.00 0.00 N ATOM 374 CA GLU A 66 -8.642 3.363 5.949 1.00 0.00 C ATOM 375 C GLU A 66 -7.466 3.617 5.010 1.00 0.00 C ATOM 376 O GLU A 66 -7.086 4.764 4.769 1.00 0.00 O ATOM 377 CB GLU A 66 -8.139 2.768 7.266 1.00 0.00 C ATOM 378 CG GLU A 66 -9.226 2.603 8.314 1.00 0.00 C ATOM 379 CD GLU A 66 -8.687 2.669 9.730 1.00 0.00 C ATOM 380 OE1 GLU A 66 -7.668 3.359 9.944 1.00 0.00 O ATOM 381 OE2 GLU A 66 -9.283 2.032 10.623 1.00 0.00 O ATOM 0 H GLU A 66 -9.708 1.565 5.784 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.133 4.315 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.688 1.796 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.353 3.408 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.977 3.381 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.727 1.647 8.164 1.00 0.00 H new ATOM 388 N LEU A 67 -6.894 2.540 4.484 1.00 0.00 N ATOM 389 CA LEU A 67 -5.761 2.645 3.572 1.00 0.00 C ATOM 390 C LEU A 67 -6.154 3.385 2.297 1.00 0.00 C ATOM 391 O LEU A 67 -5.367 4.156 1.748 1.00 0.00 O ATOM 392 CB LEU A 67 -5.231 1.252 3.224 1.00 0.00 C ATOM 393 CG LEU A 67 -4.746 0.405 4.401 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.519 -1.034 3.965 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.474 0.993 4.993 1.00 0.00 C ATOM 0 H LEU A 67 -7.196 1.584 4.673 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.976 3.212 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.019 0.704 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.407 1.364 2.519 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.517 0.412 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.174 -1.622 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.453 -1.452 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.767 -1.061 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.143 0.377 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.695 1.018 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.670 2.006 5.344 1.00 0.00 H new ATOM 407 N ARG A 68 -7.376 3.146 1.834 1.00 0.00 N ATOM 408 CA ARG A 68 -7.874 3.791 0.625 1.00 0.00 C ATOM 409 C ARG A 68 -7.609 5.293 0.661 1.00 0.00 C ATOM 410 O ARG A 68 -6.877 5.825 -0.174 1.00 0.00 O ATOM 411 CB ARG A 68 -9.373 3.531 0.463 1.00 0.00 C ATOM 412 CG ARG A 68 -10.034 4.409 -0.588 1.00 0.00 C ATOM 413 CD ARG A 68 -11.519 4.106 -0.713 1.00 0.00 C ATOM 414 NE ARG A 68 -12.267 4.543 0.463 1.00 0.00 N ATOM 415 CZ ARG A 68 -13.593 4.514 0.543 1.00 0.00 C ATOM 416 NH1 ARG A 68 -14.312 4.070 -0.479 1.00 0.00 N ATOM 417 NH2 ARG A 68 -14.202 4.928 1.646 1.00 0.00 N ATOM 0 H ARG A 68 -8.040 2.511 2.277 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.344 3.366 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.525 2.485 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.867 3.692 1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.896 5.458 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.548 4.254 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.916 4.600 -1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.660 3.034 -0.855 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.743 4.889 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.847 3.750 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.330 4.049 -0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.652 5.269 2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.220 4.905 1.706 1.00 0.00 H new ATOM 431 N LYS A 69 -8.208 5.972 1.633 1.00 0.00 N ATOM 432 CA LYS A 69 -8.037 7.412 1.780 1.00 0.00 C ATOM 433 C LYS A 69 -6.559 7.779 1.860 1.00 0.00 C ATOM 434 O LYS A 69 -6.039 8.498 1.005 1.00 0.00 O ATOM 435 CB LYS A 69 -8.765 7.908 3.031 1.00 0.00 C ATOM 436 CG LYS A 69 -10.224 8.253 2.789 1.00 0.00 C ATOM 437 CD LYS A 69 -11.124 7.046 2.992 1.00 0.00 C ATOM 438 CE LYS A 69 -11.385 6.787 4.468 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.531 7.591 4.977 1.00 0.00 N ATOM 0 H LYS A 69 -8.817 5.547 2.332 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.466 7.895 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.705 7.142 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.251 8.789 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.527 9.052 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.346 8.632 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.071 7.206 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.662 6.167 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.589 5.727 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.490 7.026 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.677 7.387 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.326 8.603 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.391 7.345 4.446 1.00 0.00 H new ATOM 453 N LEU A 70 -5.885 7.280 2.891 1.00 0.00 N ATOM 454 CA LEU A 70 -4.465 7.554 3.082 1.00 0.00 C ATOM 455 C LEU A 70 -3.742 7.639 1.741 1.00 0.00 C ATOM 456 O LEU A 70 -3.176 8.675 1.395 1.00 0.00 O ATOM 457 CB LEU A 70 -3.828 6.468 3.950 1.00 0.00 C ATOM 458 CG LEU A 70 -4.331 6.381 5.392 1.00 0.00 C ATOM 459 CD1 LEU A 70 -4.041 5.007 5.976 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.696 7.470 6.244 1.00 0.00 C ATOM 0 H LEU A 70 -6.299 6.684 3.607 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.370 8.515 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.993 5.504 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.751 6.633 3.971 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.411 6.532 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.406 4.963 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.543 4.245 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.966 4.826 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.065 7.393 7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.613 7.350 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.955 8.448 5.837 1.00 0.00 H new ATOM 472 N MET A 71 -3.766 6.542 0.991 1.00 0.00 N ATOM 473 CA MET A 71 -3.115 6.493 -0.313 1.00 0.00 C ATOM 474 C MET A 71 -3.324 7.800 -1.073 1.00 0.00 C ATOM 475 O MET A 71 -2.385 8.571 -1.267 1.00 0.00 O ATOM 476 CB MET A 71 -3.656 5.321 -1.133 1.00 0.00 C ATOM 477 CG MET A 71 -3.138 3.968 -0.674 1.00 0.00 C ATOM 478 SD MET A 71 -1.368 3.768 -0.959 1.00 0.00 S ATOM 479 CE MET A 71 -0.725 4.056 0.687 1.00 0.00 C ATOM 0 H MET A 71 -4.229 5.675 1.264 1.00 0.00 H new ATOM 0 HA MET A 71 -2.046 6.352 -0.153 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.745 5.322 -1.078 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.389 5.467 -2.180 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.347 3.845 0.389 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.678 3.180 -1.199 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.132 3.405 0.862 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.415 5.097 0.780 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.500 3.842 1.423 1.00 0.00 H new ATOM 489 N MET A 72 -4.559 8.040 -1.500 1.00 0.00 N ATOM 490 CA MET A 72 -4.889 9.254 -2.238 1.00 0.00 C ATOM 491 C MET A 72 -4.367 10.490 -1.513 1.00 0.00 C ATOM 492 O MET A 72 -3.614 11.283 -2.080 1.00 0.00 O ATOM 493 CB MET A 72 -6.403 9.363 -2.431 1.00 0.00 C ATOM 494 CG MET A 72 -7.016 8.154 -3.119 1.00 0.00 C ATOM 495 SD MET A 72 -7.004 8.298 -4.917 1.00 0.00 S ATOM 496 CE MET A 72 -8.486 9.267 -5.189 1.00 0.00 C ATOM 0 H MET A 72 -5.347 7.411 -1.348 1.00 0.00 H new ATOM 0 HA MET A 72 -4.408 9.198 -3.215 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.876 9.496 -1.458 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.623 10.255 -3.017 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.469 7.258 -2.826 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.043 8.027 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.616 9.440 -6.257 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.350 8.727 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.395 10.224 -4.675 1.00 0.00 H new ATOM 506 N LEU A 73 -4.771 10.648 -0.258 1.00 0.00 N ATOM 507 CA LEU A 73 -4.343 11.789 0.545 1.00 0.00 C ATOM 508 C LEU A 73 -2.868 12.098 0.311 1.00 0.00 C ATOM 509 O LEU A 73 -2.473 13.261 0.224 1.00 0.00 O ATOM 510 CB LEU A 73 -4.589 11.513 2.030 1.00 0.00 C ATOM 511 CG LEU A 73 -5.987 11.844 2.552 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.261 11.104 3.852 1.00 0.00 C ATOM 513 CD2 LEU A 73 -6.142 13.346 2.748 1.00 0.00 C ATOM 0 H LEU A 73 -5.394 10.001 0.226 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.929 12.656 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.393 10.458 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.862 12.082 2.610 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.717 11.517 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.261 11.352 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.193 10.030 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.526 11.399 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.143 13.563 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.403 13.697 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.991 13.855 1.796 1.00 0.00 H new ATOM 525 N HIS A 74 -2.058 11.049 0.207 1.00 0.00 N ATOM 526 CA HIS A 74 -0.626 11.208 -0.021 1.00 0.00 C ATOM 527 C HIS A 74 -0.312 11.223 -1.514 1.00 0.00 C ATOM 528 O HIS A 74 0.738 11.708 -1.932 1.00 0.00 O ATOM 529 CB HIS A 74 0.148 10.082 0.664 1.00 0.00 C ATOM 530 CG HIS A 74 0.323 10.285 2.138 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.409 10.935 2.685 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.460 9.921 3.180 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.288 10.960 4.000 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.162 10.352 4.327 1.00 0.00 N ATOM 0 H HIS A 74 -2.369 10.080 0.277 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.318 12.162 0.406 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.372 9.139 0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.130 9.992 0.199 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.185 11.334 2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.399 9.391 3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.991 11.403 4.691 1.00 0.00 H new ATOM 542 N GLY A 75 -1.230 10.687 -2.312 1.00 0.00 N ATOM 543 CA GLY A 75 -1.031 10.648 -3.749 1.00 0.00 C ATOM 544 C GLY A 75 -1.218 9.257 -4.323 1.00 0.00 C ATOM 545 O GLY A 75 -1.519 9.101 -5.506 1.00 0.00 O ATOM 0 H GLY A 75 -2.108 10.279 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.731 11.333 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.027 11.002 -3.983 1.00 0.00 H new ATOM 549 N GLY A 76 -1.038 8.243 -3.483 1.00 0.00 N ATOM 550 CA GLY A 76 -1.192 6.871 -3.932 1.00 0.00 C ATOM 551 C GLY A 76 -2.540 6.620 -4.578 1.00 0.00 C ATOM 552 O GLY A 76 -3.360 7.530 -4.690 1.00 0.00 O ATOM 0 H GLY A 76 -0.788 8.347 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.402 6.634 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.068 6.198 -3.083 1.00 0.00 H new ATOM 556 N GLN A 77 -2.767 5.383 -5.006 1.00 0.00 N ATOM 557 CA GLN A 77 -4.025 5.016 -5.647 1.00 0.00 C ATOM 558 C GLN A 77 -4.557 3.700 -5.089 1.00 0.00 C ATOM 559 O GLN A 77 -3.788 2.844 -4.651 1.00 0.00 O ATOM 560 CB GLN A 77 -3.836 4.902 -7.161 1.00 0.00 C ATOM 561 CG GLN A 77 -3.321 6.178 -7.808 1.00 0.00 C ATOM 562 CD GLN A 77 -1.807 6.262 -7.809 1.00 0.00 C ATOM 563 OE1 GLN A 77 -1.118 5.257 -7.993 1.00 0.00 O ATOM 564 NE2 GLN A 77 -1.281 7.463 -7.604 1.00 0.00 N ATOM 0 H GLN A 77 -2.097 4.618 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.753 5.800 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.139 4.091 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.788 4.631 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.685 6.233 -8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.729 7.039 -7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.890 8.268 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.268 7.581 -7.594 1.00 0.00 H new ATOM 573 N TYR A 78 -5.876 3.546 -5.107 1.00 0.00 N ATOM 574 CA TYR A 78 -6.511 2.336 -4.599 1.00 0.00 C ATOM 575 C TYR A 78 -7.237 1.592 -5.717 1.00 0.00 C ATOM 576 O TYR A 78 -7.977 2.191 -6.498 1.00 0.00 O ATOM 577 CB TYR A 78 -7.494 2.681 -3.480 1.00 0.00 C ATOM 578 CG TYR A 78 -8.076 1.469 -2.789 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.202 0.830 -3.294 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.499 0.961 -1.631 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.737 -0.277 -2.666 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.027 -0.147 -0.997 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.146 -0.762 -1.518 1.00 0.00 C ATOM 584 OH TYR A 78 -9.676 -1.867 -0.890 1.00 0.00 O ATOM 0 H TYR A 78 -6.526 4.244 -5.468 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.731 1.687 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.987 3.301 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.307 3.278 -3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.667 1.206 -4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.623 1.441 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.613 -0.761 -3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.566 -0.529 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.005 -2.580 -0.861 1.00 0.00 H new ATOM 594 N HIS A 79 -7.020 0.282 -5.785 1.00 0.00 N ATOM 595 CA HIS A 79 -7.654 -0.545 -6.805 1.00 0.00 C ATOM 596 C HIS A 79 -8.557 -1.596 -6.168 1.00 0.00 C ATOM 597 O HIS A 79 -8.114 -2.390 -5.338 1.00 0.00 O ATOM 598 CB HIS A 79 -6.593 -1.225 -7.672 1.00 0.00 C ATOM 599 CG HIS A 79 -5.739 -0.263 -8.438 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.508 -0.600 -8.960 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.944 1.033 -8.770 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.993 0.447 -9.579 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.845 1.451 -9.479 1.00 0.00 N ATOM 0 H HIS A 79 -6.410 -0.229 -5.146 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.266 0.102 -7.433 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.954 -1.838 -7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.086 -1.899 -8.373 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.811 1.628 -8.523 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.037 0.477 -10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.709 2.385 -9.866 1.00 0.00 H new ATOM 611 N VAL A 80 -9.827 -1.595 -6.561 1.00 0.00 N ATOM 612 CA VAL A 80 -10.793 -2.548 -6.028 1.00 0.00 C ATOM 613 C VAL A 80 -10.412 -3.979 -6.393 1.00 0.00 C ATOM 614 O VAL A 80 -10.561 -4.897 -5.587 1.00 0.00 O ATOM 615 CB VAL A 80 -12.214 -2.258 -6.549 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.203 -3.273 -5.996 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.634 -0.841 -6.189 1.00 0.00 C ATOM 0 H VAL A 80 -10.211 -0.945 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.782 -2.437 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.209 -2.346 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.201 -3.052 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -12.909 -4.275 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.208 -3.220 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.640 -0.653 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.623 -0.722 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.940 -0.131 -6.639 1.00 0.00 H new ATOM 627 N TYR A 81 -9.920 -4.161 -7.614 1.00 0.00 N ATOM 628 CA TYR A 81 -9.519 -5.480 -8.087 1.00 0.00 C ATOM 629 C TYR A 81 -8.028 -5.514 -8.408 1.00 0.00 C ATOM 630 O TYR A 81 -7.459 -4.526 -8.873 1.00 0.00 O ATOM 631 CB TYR A 81 -10.327 -5.868 -9.326 1.00 0.00 C ATOM 632 CG TYR A 81 -10.456 -4.753 -10.339 1.00 0.00 C ATOM 633 CD1 TYR A 81 -11.424 -3.766 -10.195 1.00 0.00 C ATOM 634 CD2 TYR A 81 -9.611 -4.686 -11.440 1.00 0.00 C ATOM 635 CE1 TYR A 81 -11.545 -2.745 -11.118 1.00 0.00 C ATOM 636 CE2 TYR A 81 -9.725 -3.668 -12.367 1.00 0.00 C ATOM 637 CZ TYR A 81 -10.693 -2.700 -12.202 1.00 0.00 C ATOM 638 OH TYR A 81 -10.811 -1.686 -13.124 1.00 0.00 O ATOM 0 H TYR A 81 -9.790 -3.412 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.718 -6.199 -7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.855 -6.727 -9.802 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.323 -6.183 -9.016 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.093 -3.798 -9.348 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.852 -5.443 -11.573 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.303 -1.986 -10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.059 -3.631 -13.217 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.135 -1.800 -13.824 1.00 0.00 H new ATOM 648 N TYR A 82 -7.401 -6.657 -8.156 1.00 0.00 N ATOM 649 CA TYR A 82 -5.976 -6.821 -8.416 1.00 0.00 C ATOM 650 C TYR A 82 -5.671 -6.664 -9.902 1.00 0.00 C ATOM 651 O TYR A 82 -6.306 -7.295 -10.748 1.00 0.00 O ATOM 652 CB TYR A 82 -5.501 -8.192 -7.929 1.00 0.00 C ATOM 653 CG TYR A 82 -4.097 -8.538 -8.370 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.014 -7.759 -7.980 1.00 0.00 C ATOM 655 CD2 TYR A 82 -3.853 -9.643 -9.176 1.00 0.00 C ATOM 656 CE1 TYR A 82 -1.729 -8.071 -8.381 1.00 0.00 C ATOM 657 CE2 TYR A 82 -2.571 -9.963 -9.580 1.00 0.00 C ATOM 658 CZ TYR A 82 -1.513 -9.174 -9.180 1.00 0.00 C ATOM 659 OH TYR A 82 -0.235 -9.489 -9.582 1.00 0.00 O ATOM 0 H TYR A 82 -7.857 -7.484 -7.772 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.442 -6.043 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.548 -8.218 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.187 -8.956 -8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.180 -6.895 -7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.679 -10.262 -9.492 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.898 -7.454 -8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.398 -10.826 -10.206 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.218 -10.405 -9.929 1.00 0.00 H new ATOM 669 N SER A 83 -4.695 -5.817 -10.213 1.00 0.00 N ATOM 670 CA SER A 83 -4.306 -5.573 -11.597 1.00 0.00 C ATOM 671 C SER A 83 -2.788 -5.589 -11.747 1.00 0.00 C ATOM 672 O SER A 83 -2.095 -4.704 -11.247 1.00 0.00 O ATOM 673 CB SER A 83 -4.863 -4.231 -12.076 1.00 0.00 C ATOM 674 OG SER A 83 -6.238 -4.335 -12.401 1.00 0.00 O ATOM 0 H SER A 83 -4.159 -5.288 -9.525 1.00 0.00 H new ATOM 0 HA SER A 83 -4.722 -6.372 -12.211 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.726 -3.479 -11.299 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.305 -3.893 -12.949 1.00 0.00 H new ATOM 0 HG SER A 83 -6.570 -3.464 -12.703 1.00 0.00 H new ATOM 680 N ARG A 84 -2.279 -6.604 -12.439 1.00 0.00 N ATOM 681 CA ARG A 84 -0.843 -6.737 -12.654 1.00 0.00 C ATOM 682 C ARG A 84 -0.281 -5.504 -13.355 1.00 0.00 C ATOM 683 O ARG A 84 0.825 -5.056 -13.053 1.00 0.00 O ATOM 684 CB ARG A 84 -0.544 -7.989 -13.481 1.00 0.00 C ATOM 685 CG ARG A 84 -1.141 -9.260 -12.900 1.00 0.00 C ATOM 686 CD ARG A 84 -0.838 -10.467 -13.774 1.00 0.00 C ATOM 687 NE ARG A 84 -1.599 -10.445 -15.020 1.00 0.00 N ATOM 688 CZ ARG A 84 -1.485 -11.370 -15.967 1.00 0.00 C ATOM 689 NH1 ARG A 84 -0.646 -12.384 -15.810 1.00 0.00 N ATOM 690 NH2 ARG A 84 -2.212 -11.281 -17.074 1.00 0.00 N ATOM 0 H ARG A 84 -2.839 -7.345 -12.860 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.362 -6.830 -11.680 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.927 -7.847 -14.491 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.536 -8.110 -13.564 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.744 -9.425 -11.899 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.220 -9.144 -12.799 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.228 -10.492 -14.001 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.069 -11.380 -13.224 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.254 -9.678 -15.172 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.086 -12.456 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.561 -13.093 -16.539 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.859 -10.502 -17.198 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.124 -11.992 -17.801 1.00 0.00 H new ATOM 704 N SER A 85 -1.051 -4.961 -14.293 1.00 0.00 N ATOM 705 CA SER A 85 -0.628 -3.782 -15.040 1.00 0.00 C ATOM 706 C SER A 85 -0.789 -2.519 -14.200 1.00 0.00 C ATOM 707 O SER A 85 0.148 -1.735 -14.051 1.00 0.00 O ATOM 708 CB SER A 85 -1.437 -3.655 -16.333 1.00 0.00 C ATOM 709 OG SER A 85 -0.890 -4.465 -17.359 1.00 0.00 O ATOM 0 H SER A 85 -1.970 -5.318 -14.553 1.00 0.00 H new ATOM 0 HA SER A 85 0.427 -3.899 -15.289 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.471 -3.946 -16.148 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.451 -2.614 -16.656 1.00 0.00 H new ATOM 0 HG SER A 85 -1.426 -4.367 -18.174 1.00 0.00 H new ATOM 715 N LYS A 86 -1.985 -2.330 -13.652 1.00 0.00 N ATOM 716 CA LYS A 86 -2.271 -1.163 -12.825 1.00 0.00 C ATOM 717 C LYS A 86 -1.675 -1.326 -11.430 1.00 0.00 C ATOM 718 O LYS A 86 -0.689 -0.673 -11.085 1.00 0.00 O ATOM 719 CB LYS A 86 -3.782 -0.944 -12.722 1.00 0.00 C ATOM 720 CG LYS A 86 -4.382 -0.261 -13.939 1.00 0.00 C ATOM 721 CD LYS A 86 -5.680 0.451 -13.596 1.00 0.00 C ATOM 722 CE LYS A 86 -6.582 0.582 -14.814 1.00 0.00 C ATOM 723 NZ LYS A 86 -6.204 1.747 -15.661 1.00 0.00 N ATOM 0 H LYS A 86 -2.771 -2.970 -13.766 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.815 -0.293 -13.297 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.271 -1.907 -12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.994 -0.344 -11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.668 0.457 -14.343 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.567 -1.000 -14.718 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.202 -0.099 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.459 1.441 -13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.527 -0.331 -15.407 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.617 0.689 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.842 1.802 -16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.281 2.621 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.225 1.632 -15.992 1.00 0.00 H new ATOM 737 N THR A 87 -2.277 -2.202 -10.632 1.00 0.00 N ATOM 738 CA THR A 87 -1.806 -2.450 -9.275 1.00 0.00 C ATOM 739 C THR A 87 -0.352 -2.907 -9.274 1.00 0.00 C ATOM 740 O THR A 87 0.043 -3.762 -10.068 1.00 0.00 O ATOM 741 CB THR A 87 -2.667 -3.513 -8.567 1.00 0.00 C ATOM 742 OG1 THR A 87 -4.013 -3.456 -9.052 1.00 0.00 O ATOM 743 CG2 THR A 87 -2.656 -3.301 -7.060 1.00 0.00 C ATOM 0 H THR A 87 -3.092 -2.752 -10.902 1.00 0.00 H new ATOM 0 HA THR A 87 -1.889 -1.507 -8.734 1.00 0.00 H new ATOM 0 HB THR A 87 -2.245 -4.494 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.331 -2.529 -9.026 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.271 -4.063 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.633 -3.374 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.056 -2.314 -6.829 1.00 0.00 H new ATOM 751 N THR A 88 0.444 -2.334 -8.376 1.00 0.00 N ATOM 752 CA THR A 88 1.855 -2.683 -8.272 1.00 0.00 C ATOM 753 C THR A 88 2.079 -3.756 -7.213 1.00 0.00 C ATOM 754 O THR A 88 2.582 -4.840 -7.510 1.00 0.00 O ATOM 755 CB THR A 88 2.714 -1.451 -7.928 1.00 0.00 C ATOM 756 OG1 THR A 88 2.177 -0.784 -6.780 1.00 0.00 O ATOM 757 CG2 THR A 88 2.769 -0.485 -9.102 1.00 0.00 C ATOM 0 H THR A 88 0.135 -1.626 -7.710 1.00 0.00 H new ATOM 0 HA THR A 88 2.158 -3.068 -9.245 1.00 0.00 H new ATOM 0 HB THR A 88 3.726 -1.791 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.823 -0.827 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.381 0.377 -8.836 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.205 -0.987 -9.966 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.760 -0.152 -9.347 1.00 0.00 H new ATOM 765 N HIS A 89 1.702 -3.448 -5.976 1.00 0.00 N ATOM 766 CA HIS A 89 1.862 -4.388 -4.872 1.00 0.00 C ATOM 767 C HIS A 89 0.505 -4.889 -4.385 1.00 0.00 C ATOM 768 O HIS A 89 -0.539 -4.393 -4.808 1.00 0.00 O ATOM 769 CB HIS A 89 2.619 -3.729 -3.718 1.00 0.00 C ATOM 770 CG HIS A 89 3.856 -3.004 -4.151 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.831 -1.746 -4.715 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.159 -3.365 -4.096 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.066 -1.366 -4.992 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.891 -2.331 -4.625 1.00 0.00 N ATOM 0 H HIS A 89 1.284 -2.556 -5.713 1.00 0.00 H new ATOM 0 HA HIS A 89 2.437 -5.241 -5.234 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.955 -3.028 -3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.891 -4.493 -2.990 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.550 -4.294 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.352 -0.427 -5.442 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.906 -2.311 -4.719 1.00 0.00 H new ATOM 782 N ILE A 90 0.529 -5.876 -3.495 1.00 0.00 N ATOM 783 CA ILE A 90 -0.699 -6.443 -2.951 1.00 0.00 C ATOM 784 C ILE A 90 -0.668 -6.461 -1.427 1.00 0.00 C ATOM 785 O ILE A 90 0.052 -7.253 -0.819 1.00 0.00 O ATOM 786 CB ILE A 90 -0.932 -7.876 -3.465 1.00 0.00 C ATOM 787 CG1 ILE A 90 -1.058 -7.880 -4.990 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.177 -8.472 -2.824 1.00 0.00 C ATOM 789 CD1 ILE A 90 -1.038 -9.266 -5.595 1.00 0.00 C ATOM 0 H ILE A 90 1.385 -6.299 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.517 -5.807 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.075 -8.490 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.987 -7.383 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.242 -7.295 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.329 -9.485 -3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.052 -8.499 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.043 -7.860 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.131 -9.191 -6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.098 -9.759 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.870 -9.848 -5.198 1.00 0.00 H new ATOM 801 N ILE A 91 -1.456 -5.583 -0.815 1.00 0.00 N ATOM 802 CA ILE A 91 -1.521 -5.500 0.639 1.00 0.00 C ATOM 803 C ILE A 91 -2.394 -6.610 1.214 1.00 0.00 C ATOM 804 O ILE A 91 -3.619 -6.572 1.100 1.00 0.00 O ATOM 805 CB ILE A 91 -2.072 -4.137 1.101 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.118 -3.012 0.693 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.288 -4.136 2.607 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.292 -3.201 1.207 1.00 0.00 C ATOM 0 H ILE A 91 -2.058 -4.920 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.502 -5.615 1.008 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.033 -3.967 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.094 -2.943 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.507 -2.064 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.677 -3.167 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.002 -4.916 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.340 -4.325 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.913 -2.367 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.280 -3.240 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.700 -4.133 0.815 1.00 0.00 H new ATOM 820 N ALA A 92 -1.755 -7.595 1.836 1.00 0.00 N ATOM 821 CA ALA A 92 -2.473 -8.714 2.433 1.00 0.00 C ATOM 822 C ALA A 92 -1.718 -9.273 3.634 1.00 0.00 C ATOM 823 O ALA A 92 -0.518 -9.538 3.558 1.00 0.00 O ATOM 824 CB ALA A 92 -2.705 -9.806 1.398 1.00 0.00 C ATOM 0 H ALA A 92 -0.741 -7.641 1.940 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.439 -8.349 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.242 -10.635 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.294 -9.406 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.745 -10.160 1.021 1.00 0.00 H new ATOM 830 N THR A 93 -2.429 -9.449 4.744 1.00 0.00 N ATOM 831 CA THR A 93 -1.825 -9.974 5.962 1.00 0.00 C ATOM 832 C THR A 93 -1.277 -11.380 5.743 1.00 0.00 C ATOM 833 O THR A 93 -0.085 -11.626 5.924 1.00 0.00 O ATOM 834 CB THR A 93 -2.838 -10.006 7.123 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.739 -8.899 7.017 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.124 -9.959 8.465 1.00 0.00 C ATOM 0 H THR A 93 -3.423 -9.236 4.824 1.00 0.00 H new ATOM 0 HA THR A 93 -1.006 -9.304 6.222 1.00 0.00 H new ATOM 0 HB THR A 93 -3.400 -10.938 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.652 -9.231 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.859 -9.983 9.269 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.461 -10.819 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.540 -9.041 8.534 1.00 0.00 H new ATOM 844 N ASN A 94 -2.154 -12.298 5.351 1.00 0.00 N ATOM 845 CA ASN A 94 -1.757 -13.679 5.106 1.00 0.00 C ATOM 846 C ASN A 94 -2.617 -14.307 4.014 1.00 0.00 C ATOM 847 O ASN A 94 -3.841 -14.168 4.015 1.00 0.00 O ATOM 848 CB ASN A 94 -1.868 -14.500 6.393 1.00 0.00 C ATOM 849 CG ASN A 94 -1.462 -15.947 6.193 1.00 0.00 C ATOM 850 OD1 ASN A 94 -2.229 -16.750 5.661 1.00 0.00 O ATOM 851 ND2 ASN A 94 -0.251 -16.286 6.619 1.00 0.00 N ATOM 0 H ASN A 94 -3.145 -12.110 5.196 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.720 -13.678 4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.239 -14.052 7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.894 -14.461 6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.078 -17.246 6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 94 0.351 -15.587 7.054 1.00 0.00 H new ATOM 858 N LEU A 95 -1.970 -15.000 3.083 1.00 0.00 N ATOM 859 CA LEU A 95 -2.675 -15.651 1.984 1.00 0.00 C ATOM 860 C LEU A 95 -2.692 -17.165 2.170 1.00 0.00 C ATOM 861 O LEU A 95 -1.709 -17.775 2.590 1.00 0.00 O ATOM 862 CB LEU A 95 -2.018 -15.296 0.649 1.00 0.00 C ATOM 863 CG LEU A 95 -2.033 -13.816 0.266 1.00 0.00 C ATOM 864 CD1 LEU A 95 -3.416 -13.404 -0.214 1.00 0.00 C ATOM 865 CD2 LEU A 95 -1.596 -12.956 1.442 1.00 0.00 C ATOM 0 H LEU A 95 -0.958 -15.126 3.067 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.704 -15.292 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.982 -15.633 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.516 -15.860 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.327 -13.664 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.408 -12.348 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.690 -13.998 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.142 -13.571 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.613 -11.906 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.277 -13.111 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.585 -13.234 1.740 1.00 0.00 H new ATOM 877 N PRO A 96 -3.835 -17.788 1.847 1.00 0.00 N ATOM 878 CA PRO A 96 -4.008 -19.238 1.966 1.00 0.00 C ATOM 879 C PRO A 96 -3.184 -20.007 0.938 1.00 0.00 C ATOM 880 O PRO A 96 -3.023 -19.564 -0.198 1.00 0.00 O ATOM 881 CB PRO A 96 -5.504 -19.440 1.712 1.00 0.00 C ATOM 882 CG PRO A 96 -5.908 -18.269 0.884 1.00 0.00 C ATOM 883 CD PRO A 96 -5.048 -17.123 1.339 1.00 0.00 C ATOM 0 HA PRO A 96 -3.673 -19.610 2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.694 -20.378 1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.063 -19.476 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.759 -18.471 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.965 -18.041 1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.820 -16.442 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.539 -16.535 2.115 1.00 0.00 H new ATOM 891 N ASN A 97 -2.666 -21.161 1.345 1.00 0.00 N ATOM 892 CA ASN A 97 -1.859 -21.991 0.459 1.00 0.00 C ATOM 893 C ASN A 97 -2.356 -21.893 -0.980 1.00 0.00 C ATOM 894 O ASN A 97 -1.565 -21.747 -1.912 1.00 0.00 O ATOM 895 CB ASN A 97 -1.889 -23.449 0.923 1.00 0.00 C ATOM 896 CG ASN A 97 -1.534 -23.596 2.390 1.00 0.00 C ATOM 897 OD1 ASN A 97 -2.355 -23.329 3.268 1.00 0.00 O ATOM 898 ND2 ASN A 97 -0.306 -24.022 2.662 1.00 0.00 N ATOM 0 H ASN A 97 -2.791 -21.542 2.283 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.832 -21.627 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.882 -23.862 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.191 -24.033 0.323 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.010 -24.140 3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.341 -24.231 1.902 1.00 0.00 H new ATOM 905 N ALA A 98 -3.671 -21.975 -1.153 1.00 0.00 N ATOM 906 CA ALA A 98 -4.274 -21.893 -2.477 1.00 0.00 C ATOM 907 C ALA A 98 -3.887 -20.595 -3.178 1.00 0.00 C ATOM 908 O ALA A 98 -3.235 -20.611 -4.222 1.00 0.00 O ATOM 909 CB ALA A 98 -5.788 -22.010 -2.376 1.00 0.00 C ATOM 0 H ALA A 98 -4.339 -22.098 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.895 -22.723 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.225 -21.947 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.050 -22.967 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.175 -21.200 -1.758 1.00 0.00 H new ATOM 915 N LYS A 99 -4.293 -19.471 -2.596 1.00 0.00 N ATOM 916 CA LYS A 99 -3.989 -18.163 -3.164 1.00 0.00 C ATOM 917 C LYS A 99 -2.481 -17.949 -3.260 1.00 0.00 C ATOM 918 O LYS A 99 -1.958 -17.628 -4.328 1.00 0.00 O ATOM 919 CB LYS A 99 -4.618 -17.057 -2.313 1.00 0.00 C ATOM 920 CG LYS A 99 -6.082 -16.804 -2.631 1.00 0.00 C ATOM 921 CD LYS A 99 -6.243 -15.754 -3.718 1.00 0.00 C ATOM 922 CE LYS A 99 -7.611 -15.840 -4.377 1.00 0.00 C ATOM 923 NZ LYS A 99 -7.610 -15.238 -5.739 1.00 0.00 N ATOM 0 H LYS A 99 -4.833 -19.440 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.409 -18.124 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.524 -17.322 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.058 -16.134 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.552 -17.734 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.600 -16.478 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.106 -14.761 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.466 -15.886 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.918 -16.884 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.346 -15.330 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.560 -15.317 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.342 -14.235 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.927 -15.741 -6.340 1.00 0.00 H new ATOM 937 N ILE A 100 -1.790 -18.129 -2.140 1.00 0.00 N ATOM 938 CA ILE A 100 -0.343 -17.959 -2.101 1.00 0.00 C ATOM 939 C ILE A 100 0.296 -18.373 -3.422 1.00 0.00 C ATOM 940 O ILE A 100 0.976 -17.578 -4.072 1.00 0.00 O ATOM 941 CB ILE A 100 0.290 -18.776 -0.959 1.00 0.00 C ATOM 942 CG1 ILE A 100 -0.197 -18.261 0.397 1.00 0.00 C ATOM 943 CG2 ILE A 100 1.808 -18.715 -1.041 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.291 -19.085 1.568 1.00 0.00 C ATOM 0 H ILE A 100 -2.208 -18.392 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.155 -16.900 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.018 -19.816 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.134 -17.231 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.287 -18.248 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.240 -19.297 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.138 -19.125 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.135 -17.679 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.093 -18.662 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.062 -20.111 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.381 -19.077 1.589 1.00 0.00 H new ATOM 956 N LYS A 101 0.072 -19.622 -3.815 1.00 0.00 N ATOM 957 CA LYS A 101 0.622 -20.143 -5.061 1.00 0.00 C ATOM 958 C LYS A 101 0.215 -19.269 -6.243 1.00 0.00 C ATOM 959 O LYS A 101 1.065 -18.693 -6.921 1.00 0.00 O ATOM 960 CB LYS A 101 0.150 -21.581 -5.289 1.00 0.00 C ATOM 961 CG LYS A 101 0.585 -22.159 -6.624 1.00 0.00 C ATOM 962 CD LYS A 101 -0.146 -23.454 -6.936 1.00 0.00 C ATOM 963 CE LYS A 101 0.708 -24.386 -7.782 1.00 0.00 C ATOM 964 NZ LYS A 101 0.503 -24.156 -9.239 1.00 0.00 N ATOM 0 H LYS A 101 -0.487 -20.293 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 101 1.709 -20.132 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.533 -22.212 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.938 -21.612 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.395 -21.433 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.660 -22.341 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.418 -23.952 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.074 -23.231 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.760 -24.239 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.465 -25.421 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.102 -24.810 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.495 -24.321 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.759 -23.176 -9.475 1.00 0.00 H new ATOM 978 N GLU A 102 -1.089 -19.176 -6.482 1.00 0.00 N ATOM 979 CA GLU A 102 -1.607 -18.371 -7.582 1.00 0.00 C ATOM 980 C GLU A 102 -0.930 -17.004 -7.623 1.00 0.00 C ATOM 981 O GLU A 102 -0.834 -16.377 -8.678 1.00 0.00 O ATOM 982 CB GLU A 102 -3.121 -18.199 -7.449 1.00 0.00 C ATOM 983 CG GLU A 102 -3.747 -17.407 -8.585 1.00 0.00 C ATOM 984 CD GLU A 102 -3.422 -17.986 -9.948 1.00 0.00 C ATOM 985 OE1 GLU A 102 -3.455 -19.226 -10.089 1.00 0.00 O ATOM 986 OE2 GLU A 102 -3.135 -17.198 -10.873 1.00 0.00 O ATOM 0 H GLU A 102 -1.805 -19.647 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.389 -18.893 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.587 -19.183 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.340 -17.699 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.829 -17.383 -8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.397 -16.376 -8.540 1.00 0.00 H new ATOM 993 N LEU A 103 -0.463 -16.548 -6.466 1.00 0.00 N ATOM 994 CA LEU A 103 0.205 -15.254 -6.367 1.00 0.00 C ATOM 995 C LEU A 103 1.718 -15.428 -6.288 1.00 0.00 C ATOM 996 O LEU A 103 2.412 -14.637 -5.649 1.00 0.00 O ATOM 997 CB LEU A 103 -0.298 -14.491 -5.140 1.00 0.00 C ATOM 998 CG LEU A 103 -1.814 -14.335 -5.021 1.00 0.00 C ATOM 999 CD1 LEU A 103 -2.191 -13.818 -3.641 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.340 -13.404 -6.104 1.00 0.00 C ATOM 0 H LEU A 103 -0.534 -17.054 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.030 -14.681 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.066 -14.999 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.150 -13.497 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.273 -15.314 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.274 -13.713 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.848 -14.522 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.722 -12.848 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.421 -13.304 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.874 -12.424 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.102 -13.816 -7.085 1.00 0.00 H new ATOM 1012 N LYS A 104 2.224 -16.467 -6.944 1.00 0.00 N ATOM 1013 CA LYS A 104 3.656 -16.743 -6.952 1.00 0.00 C ATOM 1014 C LYS A 104 4.430 -15.587 -7.576 1.00 0.00 C ATOM 1015 O LYS A 104 3.957 -14.944 -8.513 1.00 0.00 O ATOM 1016 CB LYS A 104 3.942 -18.036 -7.719 1.00 0.00 C ATOM 1017 CG LYS A 104 3.862 -17.878 -9.227 1.00 0.00 C ATOM 1018 CD LYS A 104 4.740 -18.892 -9.942 1.00 0.00 C ATOM 1019 CE LYS A 104 5.079 -18.439 -11.354 1.00 0.00 C ATOM 1020 NZ LYS A 104 6.179 -19.248 -11.947 1.00 0.00 N ATOM 0 H LYS A 104 1.664 -17.132 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 104 3.984 -16.860 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.936 -18.395 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.232 -18.800 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.828 -17.997 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.169 -16.870 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.660 -19.042 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.229 -19.854 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.192 -18.516 -11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.369 -17.388 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.380 -18.908 -12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.033 -19.155 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.893 -20.247 -11.986 1.00 0.00 H new ATOM 1034 N GLY A 105 5.624 -15.328 -7.052 1.00 0.00 N ATOM 1035 CA GLY A 105 6.445 -14.250 -7.571 1.00 0.00 C ATOM 1036 C GLY A 105 5.960 -12.885 -7.125 1.00 0.00 C ATOM 1037 O GLY A 105 6.756 -12.039 -6.718 1.00 0.00 O ATOM 0 H GLY A 105 6.038 -15.846 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.475 -14.391 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.449 -14.293 -8.660 1.00 0.00 H new ATOM 1041 N GLU A 106 4.650 -12.669 -7.202 1.00 0.00 N ATOM 1042 CA GLU A 106 4.062 -11.395 -6.805 1.00 0.00 C ATOM 1043 C GLU A 106 4.755 -10.839 -5.564 1.00 0.00 C ATOM 1044 O GLU A 106 5.385 -11.578 -4.806 1.00 0.00 O ATOM 1045 CB GLU A 106 2.565 -11.562 -6.534 1.00 0.00 C ATOM 1046 CG GLU A 106 1.731 -11.711 -7.795 1.00 0.00 C ATOM 1047 CD GLU A 106 2.349 -12.670 -8.794 1.00 0.00 C ATOM 1048 OE1 GLU A 106 3.396 -12.324 -9.380 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.786 -13.767 -8.989 1.00 0.00 O ATOM 0 H GLU A 106 3.977 -13.359 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 106 4.200 -10.689 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.414 -12.438 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.208 -10.699 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.735 -12.063 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.609 -10.734 -8.263 1.00 0.00 H new ATOM 1056 N LYS A 107 4.636 -9.531 -5.364 1.00 0.00 N ATOM 1057 CA LYS A 107 5.250 -8.874 -4.216 1.00 0.00 C ATOM 1058 C LYS A 107 4.192 -8.449 -3.202 1.00 0.00 C ATOM 1059 O LYS A 107 3.688 -7.327 -3.248 1.00 0.00 O ATOM 1060 CB LYS A 107 6.054 -7.654 -4.671 1.00 0.00 C ATOM 1061 CG LYS A 107 7.305 -8.008 -5.455 1.00 0.00 C ATOM 1062 CD LYS A 107 8.350 -6.908 -5.366 1.00 0.00 C ATOM 1063 CE LYS A 107 9.469 -7.119 -6.374 1.00 0.00 C ATOM 1064 NZ LYS A 107 10.604 -6.182 -6.146 1.00 0.00 N ATOM 0 H LYS A 107 4.120 -8.905 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 107 5.921 -9.587 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.417 -7.019 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.337 -7.069 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.723 -8.940 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.044 -8.180 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.878 -5.941 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.766 -6.881 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.827 -8.146 -6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.080 -6.980 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.478 -6.596 -6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.410 -5.279 -6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.717 -6.015 -5.126 1.00 0.00 H new ATOM 1078 N VAL A 108 3.860 -9.354 -2.286 1.00 0.00 N ATOM 1079 CA VAL A 108 2.864 -9.072 -1.259 1.00 0.00 C ATOM 1080 C VAL A 108 3.502 -8.409 -0.043 1.00 0.00 C ATOM 1081 O VAL A 108 4.337 -9.008 0.636 1.00 0.00 O ATOM 1082 CB VAL A 108 2.142 -10.356 -0.811 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.041 -10.029 0.187 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.578 -11.097 -2.014 1.00 0.00 C ATOM 0 H VAL A 108 4.266 -10.288 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 108 2.137 -8.391 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 108 2.865 -11.006 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.542 -10.949 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.475 -9.544 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.316 -9.360 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.071 -12.002 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.868 -10.456 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.390 -11.365 -2.690 1.00 0.00 H new ATOM 1094 N ILE A 109 3.102 -7.171 0.227 1.00 0.00 N ATOM 1095 CA ILE A 109 3.633 -6.428 1.363 1.00 0.00 C ATOM 1096 C ILE A 109 2.578 -6.259 2.451 1.00 0.00 C ATOM 1097 O ILE A 109 1.403 -6.031 2.161 1.00 0.00 O ATOM 1098 CB ILE A 109 4.142 -5.038 0.938 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.897 -5.132 -0.390 1.00 0.00 C ATOM 1100 CG2 ILE A 109 5.034 -4.448 2.020 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.209 -5.878 -0.288 1.00 0.00 C ATOM 0 H ILE A 109 2.412 -6.662 -0.325 1.00 0.00 H new ATOM 0 HA ILE A 109 4.468 -7.008 1.756 1.00 0.00 H new ATOM 0 HB ILE A 109 3.285 -4.379 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.263 -5.628 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.089 -4.125 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.386 -3.466 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.467 -4.351 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.889 -5.104 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.689 -5.905 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.862 -5.371 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.023 -6.896 0.053 1.00 0.00 H new ATOM 1113 N ARG A 110 3.005 -6.371 3.705 1.00 0.00 N ATOM 1114 CA ARG A 110 2.097 -6.231 4.837 1.00 0.00 C ATOM 1115 C ARG A 110 1.531 -4.815 4.907 1.00 0.00 C ATOM 1116 O ARG A 110 2.150 -3.850 4.459 1.00 0.00 O ATOM 1117 CB ARG A 110 2.820 -6.567 6.142 1.00 0.00 C ATOM 1118 CG ARG A 110 3.509 -7.922 6.125 1.00 0.00 C ATOM 1119 CD ARG A 110 3.955 -8.338 7.518 1.00 0.00 C ATOM 1120 NE ARG A 110 5.139 -9.192 7.482 1.00 0.00 N ATOM 1121 CZ ARG A 110 5.959 -9.354 8.514 1.00 0.00 C ATOM 1122 NH1 ARG A 110 5.725 -8.725 9.657 1.00 0.00 N ATOM 1123 NH2 ARG A 110 7.017 -10.148 8.404 1.00 0.00 N ATOM 0 H ARG A 110 3.974 -6.558 3.962 1.00 0.00 H new ATOM 0 HA ARG A 110 1.271 -6.928 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.561 -5.794 6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.102 -6.544 6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.829 -8.672 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.373 -7.884 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.168 -7.449 8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.142 -8.866 8.016 1.00 0.00 H new ATOM 0 HE ARG A 110 5.348 -9.691 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.913 -8.114 9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.357 -8.852 10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.201 -10.634 7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.646 -10.272 9.197 1.00 0.00 H new ATOM 1137 N PRO A 111 0.325 -4.688 5.481 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.351 -3.395 5.623 1.00 0.00 C ATOM 1139 C PRO A 111 0.337 -2.490 6.638 1.00 0.00 C ATOM 1140 O PRO A 111 -0.129 -1.384 6.913 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.751 -3.779 6.110 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.569 -5.095 6.785 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.470 -5.796 6.036 1.00 0.00 C ATOM 0 HA PRO A 111 -0.349 -2.829 4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.150 -3.033 6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.453 -3.854 5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.303 -4.962 7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.490 -5.677 6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.126 -6.428 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.866 -6.439 5.250 1.00 0.00 H new ATOM 1151 N GLU A 112 1.448 -2.966 7.192 1.00 0.00 N ATOM 1152 CA GLU A 112 2.199 -2.197 8.178 1.00 0.00 C ATOM 1153 C GLU A 112 3.244 -1.316 7.500 1.00 0.00 C ATOM 1154 O GLU A 112 3.539 -0.215 7.965 1.00 0.00 O ATOM 1155 CB GLU A 112 2.878 -3.135 9.179 1.00 0.00 C ATOM 1156 CG GLU A 112 1.961 -3.598 10.298 1.00 0.00 C ATOM 1157 CD GLU A 112 2.421 -4.897 10.930 1.00 0.00 C ATOM 1158 OE1 GLU A 112 2.830 -5.809 10.181 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.373 -5.001 12.173 1.00 0.00 O ATOM 0 H GLU A 112 1.847 -3.879 6.975 1.00 0.00 H new ATOM 0 HA GLU A 112 1.498 -1.554 8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.257 -4.008 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.739 -2.627 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.909 -2.824 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.952 -3.726 9.906 1.00 0.00 H new ATOM 1166 N TRP A 113 3.800 -1.809 6.399 1.00 0.00 N ATOM 1167 CA TRP A 113 4.813 -1.068 5.657 1.00 0.00 C ATOM 1168 C TRP A 113 4.323 0.337 5.323 1.00 0.00 C ATOM 1169 O TRP A 113 5.095 1.296 5.354 1.00 0.00 O ATOM 1170 CB TRP A 113 5.180 -1.812 4.372 1.00 0.00 C ATOM 1171 CG TRP A 113 5.988 -0.986 3.417 1.00 0.00 C ATOM 1172 CD1 TRP A 113 7.206 -0.416 3.655 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.635 -0.637 2.074 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.631 0.267 2.541 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.685 0.145 1.557 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.534 -0.912 1.258 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.665 0.656 0.262 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.515 -0.404 -0.027 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.575 0.372 -0.515 1.00 0.00 C ATOM 0 H TRP A 113 3.566 -2.718 6.001 1.00 0.00 H new ATOM 0 HA TRP A 113 5.700 -0.984 6.286 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.741 -2.711 4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.266 -2.138 3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.754 -0.491 4.582 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.508 0.781 2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.713 -1.510 1.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.480 1.255 -0.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.669 -0.609 -0.666 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.531 0.753 -1.524 1.00 0.00 H new ATOM 1190 N ILE A 114 3.039 0.451 5.004 1.00 0.00 N ATOM 1191 CA ILE A 114 2.447 1.740 4.666 1.00 0.00 C ATOM 1192 C ILE A 114 2.184 2.569 5.918 1.00 0.00 C ATOM 1193 O ILE A 114 2.681 3.688 6.051 1.00 0.00 O ATOM 1194 CB ILE A 114 1.128 1.568 3.891 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.397 0.970 2.509 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.409 2.903 3.766 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.140 0.570 1.768 1.00 0.00 C ATOM 0 H ILE A 114 2.388 -0.333 4.972 1.00 0.00 H new ATOM 0 HA ILE A 114 3.165 2.261 4.033 1.00 0.00 H new ATOM 0 HB ILE A 114 0.486 0.882 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.947 1.695 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.038 0.095 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.522 2.765 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.188 3.292 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.044 3.610 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.407 0.154 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.401 -0.179 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.493 1.446 1.626 1.00 0.00 H new ATOM 1209 N VAL A 115 1.400 2.013 6.836 1.00 0.00 N ATOM 1210 CA VAL A 115 1.073 2.699 8.080 1.00 0.00 C ATOM 1211 C VAL A 115 2.305 3.367 8.680 1.00 0.00 C ATOM 1212 O VAL A 115 2.320 4.576 8.906 1.00 0.00 O ATOM 1213 CB VAL A 115 0.472 1.730 9.115 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.257 2.435 10.446 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.832 1.140 8.598 1.00 0.00 C ATOM 0 H VAL A 115 0.979 1.089 6.741 1.00 0.00 H new ATOM 0 HA VAL A 115 0.333 3.461 7.835 1.00 0.00 H new ATOM 0 HB VAL A 115 1.176 0.913 9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.168 1.734 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.212 2.804 10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.427 3.273 10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.243 0.458 9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.545 1.943 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.644 0.597 7.672 1.00 0.00 H new ATOM 1225 N GLU A 116 3.337 2.569 8.937 1.00 0.00 N ATOM 1226 CA GLU A 116 4.575 3.083 9.511 1.00 0.00 C ATOM 1227 C GLU A 116 5.134 4.224 8.666 1.00 0.00 C ATOM 1228 O GLU A 116 5.555 5.253 9.194 1.00 0.00 O ATOM 1229 CB GLU A 116 5.612 1.965 9.629 1.00 0.00 C ATOM 1230 CG GLU A 116 5.194 0.843 10.564 1.00 0.00 C ATOM 1231 CD GLU A 116 6.375 0.045 11.082 1.00 0.00 C ATOM 1232 OE1 GLU A 116 7.257 0.643 11.733 1.00 0.00 O ATOM 1233 OE2 GLU A 116 6.417 -1.179 10.836 1.00 0.00 O ATOM 0 H GLU A 116 3.340 1.565 8.757 1.00 0.00 H new ATOM 0 HA GLU A 116 4.352 3.467 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.801 1.550 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.552 2.389 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.646 1.263 11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.510 0.175 10.041 1.00 0.00 H new ATOM 1240 N SER A 117 5.136 4.033 7.351 1.00 0.00 N ATOM 1241 CA SER A 117 5.647 5.043 6.432 1.00 0.00 C ATOM 1242 C SER A 117 4.914 6.369 6.619 1.00 0.00 C ATOM 1243 O SER A 117 5.526 7.437 6.599 1.00 0.00 O ATOM 1244 CB SER A 117 5.502 4.567 4.985 1.00 0.00 C ATOM 1245 OG SER A 117 6.511 3.629 4.654 1.00 0.00 O ATOM 0 H SER A 117 4.789 3.188 6.898 1.00 0.00 H new ATOM 0 HA SER A 117 6.703 5.197 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.520 4.115 4.844 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.559 5.421 4.310 1.00 0.00 H new ATOM 0 HG SER A 117 6.183 2.722 4.824 1.00 0.00 H new ATOM 1251 N ILE A 118 3.601 6.290 6.801 1.00 0.00 N ATOM 1252 CA ILE A 118 2.784 7.482 6.993 1.00 0.00 C ATOM 1253 C ILE A 118 3.067 8.131 8.344 1.00 0.00 C ATOM 1254 O ILE A 118 3.350 9.327 8.424 1.00 0.00 O ATOM 1255 CB ILE A 118 1.282 7.157 6.897 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.968 6.481 5.561 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.454 8.423 7.064 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.235 5.566 5.614 1.00 0.00 C ATOM 0 H ILE A 118 3.080 5.413 6.820 1.00 0.00 H new ATOM 0 HA ILE A 118 3.048 8.177 6.196 1.00 0.00 H new ATOM 0 HB ILE A 118 1.023 6.468 7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.797 7.249 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.837 5.907 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.605 8.177 6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.660 8.866 8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.714 9.134 6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.398 5.122 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.060 4.777 6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.116 6.139 5.903 1.00 0.00 H new ATOM 1270 N LYS A 119 2.991 7.334 9.404 1.00 0.00 N ATOM 1271 CA LYS A 119 3.242 7.829 10.753 1.00 0.00 C ATOM 1272 C LYS A 119 4.639 8.431 10.860 1.00 0.00 C ATOM 1273 O LYS A 119 4.834 9.459 11.508 1.00 0.00 O ATOM 1274 CB LYS A 119 3.083 6.697 11.771 1.00 0.00 C ATOM 1275 CG LYS A 119 1.681 6.115 11.819 1.00 0.00 C ATOM 1276 CD LYS A 119 1.657 4.780 12.545 1.00 0.00 C ATOM 1277 CE LYS A 119 1.668 4.966 14.054 1.00 0.00 C ATOM 1278 NZ LYS A 119 2.261 3.793 14.753 1.00 0.00 N ATOM 0 H LYS A 119 2.758 6.342 9.355 1.00 0.00 H new ATOM 0 HA LYS A 119 2.512 8.609 10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.789 5.902 11.531 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.347 7.070 12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.012 6.815 12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.305 5.985 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.768 4.222 12.253 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.520 4.186 12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.234 5.863 14.305 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.649 5.123 14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.250 3.959 15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.706 2.941 14.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.242 3.658 14.434 1.00 0.00 H new ATOM 1292 N ALA A 120 5.608 7.785 10.219 1.00 0.00 N ATOM 1293 CA ALA A 120 6.986 8.259 10.241 1.00 0.00 C ATOM 1294 C ALA A 120 7.160 9.480 9.343 1.00 0.00 C ATOM 1295 O ALA A 120 8.006 10.335 9.599 1.00 0.00 O ATOM 1296 CB ALA A 120 7.933 7.148 9.813 1.00 0.00 C ATOM 0 H ALA A 120 5.464 6.932 9.678 1.00 0.00 H new ATOM 0 HA ALA A 120 7.227 8.554 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.959 7.516 9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.836 6.304 10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.684 6.827 8.802 1.00 0.00 H new ATOM 1302 N GLY A 121 6.354 9.553 8.288 1.00 0.00 N ATOM 1303 CA GLY A 121 6.437 10.672 7.368 1.00 0.00 C ATOM 1304 C GLY A 121 7.438 10.435 6.254 1.00 0.00 C ATOM 1305 O GLY A 121 8.057 11.375 5.757 1.00 0.00 O ATOM 0 H GLY A 121 5.645 8.857 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.454 10.856 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.717 11.571 7.918 1.00 0.00 H new ATOM 1309 N ARG A 122 7.598 9.175 5.864 1.00 0.00 N ATOM 1310 CA ARG A 122 8.534 8.817 4.804 1.00 0.00 C ATOM 1311 C ARG A 122 8.353 7.360 4.389 1.00 0.00 C ATOM 1312 O ARG A 122 7.653 6.595 5.054 1.00 0.00 O ATOM 1313 CB ARG A 122 9.974 9.052 5.265 1.00 0.00 C ATOM 1314 CG ARG A 122 10.421 8.110 6.370 1.00 0.00 C ATOM 1315 CD ARG A 122 11.927 8.166 6.574 1.00 0.00 C ATOM 1316 NE ARG A 122 12.429 6.987 7.274 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.683 6.859 7.693 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.558 7.833 7.485 1.00 0.00 N ATOM 1319 NH2 ARG A 122 14.064 5.755 8.323 1.00 0.00 N ATOM 0 H ARG A 122 7.092 8.385 6.265 1.00 0.00 H new ATOM 0 HA ARG A 122 8.328 9.451 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.643 8.940 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.072 10.080 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.917 8.373 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.124 7.091 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.421 8.250 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.183 9.061 7.142 1.00 0.00 H new ATOM 0 HE ARG A 122 11.781 6.219 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.269 8.684 7.002 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.520 7.732 7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.394 5.004 8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.027 5.658 8.644 1.00 0.00 H new ATOM 1333 N LEU A 123 8.988 6.982 3.285 1.00 0.00 N ATOM 1334 CA LEU A 123 8.898 5.616 2.780 1.00 0.00 C ATOM 1335 C LEU A 123 9.914 4.712 3.470 1.00 0.00 C ATOM 1336 O LEU A 123 11.092 5.054 3.580 1.00 0.00 O ATOM 1337 CB LEU A 123 9.123 5.595 1.267 1.00 0.00 C ATOM 1338 CG LEU A 123 8.483 4.431 0.510 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.995 4.350 0.815 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.715 4.578 -0.987 1.00 0.00 C ATOM 0 H LEU A 123 9.571 7.602 2.722 1.00 0.00 H new ATOM 0 HA LEU A 123 7.899 5.239 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.742 6.527 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.197 5.578 1.080 1.00 0.00 H new ATOM 0 HG LEU A 123 8.952 3.505 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.556 3.516 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.851 4.198 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.510 5.278 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.253 3.741 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.273 5.512 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.786 4.586 -1.190 1.00 0.00 H new ATOM 1352 N LEU A 124 9.452 3.555 3.932 1.00 0.00 N ATOM 1353 CA LEU A 124 10.321 2.599 4.609 1.00 0.00 C ATOM 1354 C LEU A 124 10.652 1.422 3.697 1.00 0.00 C ATOM 1355 O LEU A 124 10.183 1.354 2.561 1.00 0.00 O ATOM 1356 CB LEU A 124 9.656 2.095 5.891 1.00 0.00 C ATOM 1357 CG LEU A 124 9.245 3.167 6.900 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.450 2.550 8.040 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.470 3.895 7.435 1.00 0.00 C ATOM 0 H LEU A 124 8.480 3.256 3.850 1.00 0.00 H new ATOM 0 HA LEU A 124 11.250 3.108 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.769 1.524 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.340 1.404 6.384 1.00 0.00 H new ATOM 0 HG LEU A 124 8.610 3.892 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.166 3.328 8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.553 2.076 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.061 1.803 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.158 4.654 8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.131 3.182 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.000 4.371 6.610 1.00 0.00 H new ATOM 1371 N SER A 125 11.460 0.497 4.203 1.00 0.00 N ATOM 1372 CA SER A 125 11.855 -0.677 3.434 1.00 0.00 C ATOM 1373 C SER A 125 10.674 -1.625 3.245 1.00 0.00 C ATOM 1374 O SER A 125 9.748 -1.651 4.056 1.00 0.00 O ATOM 1375 CB SER A 125 13.004 -1.408 4.131 1.00 0.00 C ATOM 1376 OG SER A 125 12.917 -1.268 5.539 1.00 0.00 O ATOM 0 H SER A 125 11.854 0.538 5.143 1.00 0.00 H new ATOM 0 HA SER A 125 12.190 -0.341 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.981 -2.465 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.957 -1.012 3.781 1.00 0.00 H new ATOM 0 HG SER A 125 13.661 -1.745 5.962 1.00 0.00 H new ATOM 1382 N TYR A 126 10.714 -2.402 2.168 1.00 0.00 N ATOM 1383 CA TYR A 126 9.647 -3.351 1.870 1.00 0.00 C ATOM 1384 C TYR A 126 10.183 -4.779 1.831 1.00 0.00 C ATOM 1385 O TYR A 126 9.434 -5.739 2.014 1.00 0.00 O ATOM 1386 CB TYR A 126 8.988 -3.005 0.534 1.00 0.00 C ATOM 1387 CG TYR A 126 9.733 -3.542 -0.666 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.736 -4.901 -0.956 1.00 0.00 C ATOM 1389 CD2 TYR A 126 10.436 -2.691 -1.510 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.416 -5.397 -2.051 1.00 0.00 C ATOM 1391 CE2 TYR A 126 11.118 -3.178 -2.609 1.00 0.00 C ATOM 1392 CZ TYR A 126 11.106 -4.532 -2.875 1.00 0.00 C ATOM 1393 OH TYR A 126 11.785 -5.020 -3.967 1.00 0.00 O ATOM 0 H TYR A 126 11.473 -2.394 1.487 1.00 0.00 H new ATOM 0 HA TYR A 126 8.903 -3.284 2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.972 -3.400 0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.910 -1.921 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.197 -5.582 -0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 126 10.450 -1.631 -1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.408 -6.456 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 126 11.658 -2.502 -3.256 1.00 0.00 H new ATOM 0 HH TYR A 126 12.216 -4.279 -4.442 1.00 0.00 H new ATOM 1403 N ILE A 127 11.483 -4.910 1.593 1.00 0.00 N ATOM 1404 CA ILE A 127 12.120 -6.219 1.531 1.00 0.00 C ATOM 1405 C ILE A 127 11.740 -7.072 2.737 1.00 0.00 C ATOM 1406 O ILE A 127 11.181 -8.161 2.606 1.00 0.00 O ATOM 1407 CB ILE A 127 13.654 -6.097 1.466 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.122 -6.043 0.010 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.310 -7.259 2.196 1.00 0.00 C ATOM 1410 CD1 ILE A 127 13.683 -7.236 -0.810 1.00 0.00 C ATOM 0 H ILE A 127 12.116 -4.125 1.440 1.00 0.00 H new ATOM 0 HA ILE A 127 11.764 -6.701 0.620 1.00 0.00 H new ATOM 0 HB ILE A 127 13.951 -5.171 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.739 -5.133 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.210 -5.978 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.394 -7.158 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.998 -7.255 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.009 -8.198 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.050 -7.131 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.088 -8.148 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.594 -7.290 -0.819 1.00 0.00 H new ATOM 1422 N PRO A 128 12.048 -6.567 3.940 1.00 0.00 N ATOM 1423 CA PRO A 128 11.746 -7.265 5.193 1.00 0.00 C ATOM 1424 C PRO A 128 10.250 -7.309 5.486 1.00 0.00 C ATOM 1425 O PRO A 128 9.808 -8.001 6.403 1.00 0.00 O ATOM 1426 CB PRO A 128 12.474 -6.429 6.249 1.00 0.00 C ATOM 1427 CG PRO A 128 12.573 -5.068 5.653 1.00 0.00 C ATOM 1428 CD PRO A 128 12.716 -5.274 4.170 1.00 0.00 C ATOM 0 HA PRO A 128 12.060 -8.308 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.922 -6.410 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.460 -6.838 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.686 -4.477 5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.429 -4.527 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 128 12.243 -4.471 3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.763 -5.303 3.867 1.00 0.00 H new ATOM 1436 N TYR A 129 9.477 -6.567 4.702 1.00 0.00 N ATOM 1437 CA TYR A 129 8.030 -6.520 4.879 1.00 0.00 C ATOM 1438 C TYR A 129 7.338 -7.541 3.981 1.00 0.00 C ATOM 1439 O TYR A 129 6.148 -7.812 4.136 1.00 0.00 O ATOM 1440 CB TYR A 129 7.504 -5.116 4.573 1.00 0.00 C ATOM 1441 CG TYR A 129 7.721 -4.130 5.699 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.962 -3.537 5.899 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.686 -3.791 6.562 1.00 0.00 C ATOM 1444 CE1 TYR A 129 9.165 -2.636 6.926 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.880 -2.890 7.591 1.00 0.00 C ATOM 1446 CZ TYR A 129 8.122 -2.315 7.769 1.00 0.00 C ATOM 1447 OH TYR A 129 8.319 -1.418 8.793 1.00 0.00 O ATOM 0 H TYR A 129 9.827 -5.990 3.938 1.00 0.00 H new ATOM 0 HA TYR A 129 7.808 -6.767 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.993 -4.742 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.438 -5.176 4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.781 -3.785 5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.713 -4.240 6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 129 10.136 -2.185 7.068 1.00 0.00 H new ATOM 0 HE2 TYR A 129 6.065 -2.637 8.252 1.00 0.00 H new ATOM 0 HH TYR A 129 7.560 -1.456 9.412 1.00 0.00 H new ATOM 1457 N GLN A 130 8.094 -8.104 3.044 1.00 0.00 N ATOM 1458 CA GLN A 130 7.554 -9.096 2.122 1.00 0.00 C ATOM 1459 C GLN A 130 7.292 -10.418 2.836 1.00 0.00 C ATOM 1460 O GLN A 130 8.207 -11.027 3.392 1.00 0.00 O ATOM 1461 CB GLN A 130 8.518 -9.315 0.954 1.00 0.00 C ATOM 1462 CG GLN A 130 8.270 -8.385 -0.222 1.00 0.00 C ATOM 1463 CD GLN A 130 9.353 -8.478 -1.279 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.608 -8.412 -0.848 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.066 -8.609 -2.469 1.00 0.00 N flip ATOM 0 H GLN A 130 9.081 -7.890 2.903 1.00 0.00 H new ATOM 0 HA GLN A 130 6.607 -8.719 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.540 -9.177 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.435 -10.347 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.307 -8.624 -0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.207 -7.358 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.088 -8.655 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.806 -8.671 -3.168 1.00 0.00 H new ATOM 1474 N LEU A 131 6.038 -10.856 2.817 1.00 0.00 N ATOM 1475 CA LEU A 131 5.655 -12.107 3.463 1.00 0.00 C ATOM 1476 C LEU A 131 6.355 -13.294 2.809 1.00 0.00 C ATOM 1477 O LEU A 131 7.268 -13.884 3.386 1.00 0.00 O ATOM 1478 CB LEU A 131 4.138 -12.294 3.397 1.00 0.00 C ATOM 1479 CG LEU A 131 3.309 -11.381 4.301 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.853 -11.376 3.863 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.430 -11.816 5.754 1.00 0.00 C ATOM 0 H LEU A 131 5.269 -10.364 2.362 1.00 0.00 H new ATOM 0 HA LEU A 131 5.963 -12.058 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.818 -12.140 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.908 -13.329 3.651 1.00 0.00 H new ATOM 0 HG LEU A 131 3.697 -10.366 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.278 -10.721 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.783 -11.015 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.452 -12.388 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 131 2.833 -11.155 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.069 -12.839 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.474 -11.766 6.063 1.00 0.00 H new ATOM 1493 N TYR A 132 5.921 -13.637 1.601 1.00 0.00 N ATOM 1494 CA TYR A 132 6.505 -14.754 0.869 1.00 0.00 C ATOM 1495 C TYR A 132 7.399 -14.255 -0.263 1.00 0.00 C ATOM 1496 O TYR A 132 6.915 -13.851 -1.321 1.00 0.00 O ATOM 1497 CB TYR A 132 5.404 -15.654 0.305 1.00 0.00 C ATOM 1498 CG TYR A 132 4.148 -15.673 1.147 1.00 0.00 C ATOM 1499 CD1 TYR A 132 4.098 -16.386 2.339 1.00 0.00 C ATOM 1500 CD2 TYR A 132 3.012 -14.979 0.751 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.953 -16.406 3.111 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.863 -14.993 1.517 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.838 -15.708 2.696 1.00 0.00 C ATOM 1504 OH TYR A 132 0.694 -15.726 3.462 1.00 0.00 O ATOM 0 H TYR A 132 5.167 -13.158 1.109 1.00 0.00 H new ATOM 0 HA TYR A 132 7.116 -15.331 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 132 5.152 -15.319 -0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 132 5.787 -16.671 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.969 -16.934 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 132 3.027 -14.419 -0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.931 -16.965 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.989 -14.447 1.194 1.00 0.00 H new ATOM 0 HH TYR A 132 0.934 -15.831 4.406 1.00 0.00 H new