USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 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 94 ASN : amide:sc= -0.0689 K(o=0.9,f=0.18) USER MOD Set 1.2: A 132 TYR OH : rot -110:sc= 0.967 USER MOD Set 2.1: A 88 THR OG1 : rot 75:sc= 1.24 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.952 K(o=2.2,f=-6.9!) USER MOD Set 3.1: A 77 GLN : amide:sc= -0.201 X(o=-1.4,f=-1.3) USER MOD Set 3.2: A 79 HIS : no HE2:sc= -2.25 K(o=-1.4,f=-9.2!) USER MOD Set 3.3: A 87 THR OG1 : rot -98:sc= 1.04 USER MOD Single : A 47 THR OG1 : rot -22:sc= 0.241 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= -0.244 K(o=-0.24,f=-3.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.333 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 148:sc= -1.15 (180deg=-2.86!) USER MOD Single : A 72 MET CE :methyl 144:sc= 0 (180deg=-0.119) USER MOD Single : A 74 HIS : no HD1:sc= -1.96! C(o=-2!,f=-3!) USER MOD Single : A 78 TYR OH : rot 130:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.38 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 -108:sc= 1.17 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -132:sc= 0.731 (180deg=-1.51) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 160:sc= -0.022 (180deg=-0.237) USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0492) USER MOD Single : A 117 SER OG : rot 101:sc= 1.11 USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= -0.139 (180deg=-0.712) USER MOD Single : A 125 SER OG : rot 180:sc= 0 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 130 GLN :FLIP amide:sc=-0.00945 F(o=-0.88,f=-0.0095) USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.230 13.364 -1.476 1.00 0.00 N ATOM 103 CA THR A 47 4.206 12.432 -2.596 1.00 0.00 C ATOM 104 C THR A 47 5.142 11.254 -2.351 1.00 0.00 C ATOM 105 O THR A 47 5.953 10.905 -3.209 1.00 0.00 O ATOM 106 CB THR A 47 4.605 13.125 -3.912 1.00 0.00 C ATOM 107 OG1 THR A 47 5.764 13.939 -3.706 1.00 0.00 O ATOM 108 CG2 THR A 47 3.464 13.982 -4.440 1.00 0.00 C ATOM 0 HA THR A 47 3.182 12.067 -2.682 1.00 0.00 H new ATOM 0 HB THR A 47 4.830 12.354 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.841 14.163 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.769 14.461 -5.370 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.592 13.354 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.212 14.745 -3.704 1.00 0.00 H new ATOM 116 N ILE A 48 5.024 10.645 -1.176 1.00 0.00 N ATOM 117 CA ILE A 48 5.859 9.505 -0.820 1.00 0.00 C ATOM 118 C ILE A 48 5.278 8.205 -1.367 1.00 0.00 C ATOM 119 O ILE A 48 5.902 7.147 -1.277 1.00 0.00 O ATOM 120 CB ILE A 48 6.020 9.379 0.707 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.650 9.274 1.379 1.00 0.00 C ATOM 122 CG2 ILE A 48 6.796 10.567 1.257 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.690 8.600 2.732 1.00 0.00 C ATOM 0 H ILE A 48 4.358 10.922 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 48 6.838 9.680 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 48 6.581 8.470 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.233 10.275 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.976 8.720 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.902 10.464 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.784 10.601 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.259 11.488 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.684 8.561 3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.077 7.587 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.338 9.166 3.401 1.00 0.00 H new ATOM 135 N PHE A 49 4.080 8.292 -1.936 1.00 0.00 N ATOM 136 CA PHE A 49 3.414 7.124 -2.499 1.00 0.00 C ATOM 137 C PHE A 49 3.127 7.324 -3.984 1.00 0.00 C ATOM 138 O PHE A 49 2.298 6.626 -4.567 1.00 0.00 O ATOM 139 CB PHE A 49 2.111 6.842 -1.749 1.00 0.00 C ATOM 140 CG PHE A 49 2.320 6.276 -0.374 1.00 0.00 C ATOM 141 CD1 PHE A 49 2.700 4.954 -0.205 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.137 7.064 0.750 1.00 0.00 C ATOM 143 CE1 PHE A 49 2.895 4.429 1.058 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.330 6.545 2.017 1.00 0.00 C ATOM 145 CZ PHE A 49 2.708 5.226 2.171 1.00 0.00 C ATOM 0 H PHE A 49 3.551 9.160 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 49 4.081 6.269 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.540 7.767 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.509 6.145 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.846 4.326 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.840 8.096 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.193 3.398 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.185 7.171 2.885 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.857 4.818 3.160 1.00 0.00 H new ATOM 155 N SER A 50 3.818 8.285 -4.590 1.00 0.00 N ATOM 156 CA SER A 50 3.634 8.581 -6.006 1.00 0.00 C ATOM 157 C SER A 50 3.941 7.356 -6.862 1.00 0.00 C ATOM 158 O SER A 50 4.985 6.724 -6.709 1.00 0.00 O ATOM 159 CB SER A 50 4.532 9.747 -6.425 1.00 0.00 C ATOM 160 OG SER A 50 4.280 10.128 -7.766 1.00 0.00 O ATOM 0 H SER A 50 4.510 8.871 -4.123 1.00 0.00 H new ATOM 0 HA SER A 50 2.592 8.859 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.362 10.597 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.578 9.462 -6.315 1.00 0.00 H new ATOM 0 HG SER A 50 4.865 10.876 -8.009 1.00 0.00 H new ATOM 166 N GLY A 51 3.020 7.027 -7.763 1.00 0.00 N ATOM 167 CA GLY A 51 3.209 5.879 -8.630 1.00 0.00 C ATOM 168 C GLY A 51 3.263 4.573 -7.861 1.00 0.00 C ATOM 169 O GLY A 51 3.939 3.630 -8.271 1.00 0.00 O ATOM 0 H GLY A 51 2.147 7.535 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.396 5.837 -9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.133 6.003 -9.195 1.00 0.00 H new ATOM 173 N VAL A 52 2.549 4.519 -6.741 1.00 0.00 N ATOM 174 CA VAL A 52 2.519 3.320 -5.912 1.00 0.00 C ATOM 175 C VAL A 52 1.085 2.898 -5.609 1.00 0.00 C ATOM 176 O VAL A 52 0.457 3.415 -4.685 1.00 0.00 O ATOM 177 CB VAL A 52 3.270 3.536 -4.585 1.00 0.00 C ATOM 178 CG1 VAL A 52 3.189 2.290 -3.716 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.719 3.917 -4.850 1.00 0.00 C ATOM 0 H VAL A 52 1.984 5.291 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 52 3.016 2.531 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 52 2.794 4.356 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.725 2.462 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.145 2.065 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.639 1.449 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.235 4.066 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.209 3.119 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.752 4.839 -5.430 1.00 0.00 H new ATOM 189 N ALA A 53 0.574 1.954 -6.392 1.00 0.00 N ATOM 190 CA ALA A 53 -0.785 1.460 -6.206 1.00 0.00 C ATOM 191 C ALA A 53 -0.810 0.265 -5.260 1.00 0.00 C ATOM 192 O ALA A 53 0.110 -0.554 -5.255 1.00 0.00 O ATOM 193 CB ALA A 53 -1.399 1.087 -7.547 1.00 0.00 C ATOM 0 H ALA A 53 1.081 1.516 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.377 2.258 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.414 0.720 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.425 1.965 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.799 0.308 -8.018 1.00 0.00 H new ATOM 199 N ILE A 54 -1.867 0.171 -4.460 1.00 0.00 N ATOM 200 CA ILE A 54 -2.010 -0.925 -3.510 1.00 0.00 C ATOM 201 C ILE A 54 -3.376 -1.591 -3.641 1.00 0.00 C ATOM 202 O ILE A 54 -4.331 -0.981 -4.122 1.00 0.00 O ATOM 203 CB ILE A 54 -1.823 -0.442 -2.060 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.026 0.396 -1.620 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.537 0.360 -1.930 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.070 0.654 -0.130 1.00 0.00 C ATOM 0 H ILE A 54 -2.637 0.840 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.231 -1.650 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.752 -1.313 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.005 1.351 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.942 -0.113 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.419 0.694 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.311 -0.265 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.580 1.227 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.948 1.253 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.122 -0.296 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.171 1.191 0.173 1.00 0.00 H new ATOM 218 N TYR A 55 -3.461 -2.843 -3.207 1.00 0.00 N ATOM 219 CA TYR A 55 -4.710 -3.592 -3.276 1.00 0.00 C ATOM 220 C TYR A 55 -4.869 -4.500 -2.060 1.00 0.00 C ATOM 221 O TYR A 55 -4.147 -5.486 -1.909 1.00 0.00 O ATOM 222 CB TYR A 55 -4.760 -4.425 -4.558 1.00 0.00 C ATOM 223 CG TYR A 55 -5.803 -5.520 -4.529 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.119 -5.262 -4.895 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.473 -6.810 -4.135 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.075 -6.259 -4.869 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.422 -7.814 -4.108 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.722 -7.533 -4.476 1.00 0.00 C ATOM 229 OH TYR A 55 -8.671 -8.529 -4.448 1.00 0.00 O ATOM 0 H TYR A 55 -2.680 -3.361 -2.804 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.532 -2.877 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.961 -3.765 -5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.781 -4.872 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.399 -4.266 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.457 -7.032 -3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.094 -6.042 -5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.148 -8.812 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.258 -9.366 -4.150 1.00 0.00 H new ATOM 239 N VAL A 56 -5.820 -4.160 -1.196 1.00 0.00 N ATOM 240 CA VAL A 56 -6.076 -4.945 0.006 1.00 0.00 C ATOM 241 C VAL A 56 -6.894 -6.190 -0.314 1.00 0.00 C ATOM 242 O VAL A 56 -7.956 -6.106 -0.929 1.00 0.00 O ATOM 243 CB VAL A 56 -6.819 -4.115 1.070 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.119 -4.964 2.296 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.007 -2.885 1.449 1.00 0.00 C ATOM 0 H VAL A 56 -6.426 -3.347 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.105 -5.244 0.401 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.767 -3.781 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.644 -4.361 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.743 -5.810 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.185 -5.330 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.547 -2.310 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.043 -3.195 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.849 -2.267 0.565 1.00 0.00 H new ATOM 255 N ASN A 57 -6.392 -7.346 0.108 1.00 0.00 N ATOM 256 CA ASN A 57 -7.077 -8.611 -0.134 1.00 0.00 C ATOM 257 C ASN A 57 -7.444 -9.291 1.182 1.00 0.00 C ATOM 258 O ASN A 57 -6.570 -9.697 1.947 1.00 0.00 O ATOM 259 CB ASN A 57 -6.197 -9.539 -0.973 1.00 0.00 C ATOM 260 CG ASN A 57 -6.977 -10.697 -1.564 1.00 0.00 C ATOM 261 OD1 ASN A 57 -8.016 -11.095 -1.036 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.478 -11.246 -2.666 1.00 0.00 N ATOM 0 H ASN A 57 -5.514 -7.433 0.619 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.995 -8.400 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.735 -8.967 -1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.389 -9.927 -0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.959 -12.029 -3.108 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.614 -10.884 -3.070 1.00 0.00 H new ATOM 269 N GLY A 58 -8.743 -9.413 1.437 1.00 0.00 N ATOM 270 CA GLY A 58 -9.203 -10.045 2.660 1.00 0.00 C ATOM 271 C GLY A 58 -9.193 -9.097 3.842 1.00 0.00 C ATOM 272 O GLY A 58 -9.363 -7.888 3.679 1.00 0.00 O ATOM 0 H GLY A 58 -9.485 -9.086 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.214 -10.424 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.570 -10.904 2.882 1.00 0.00 H new ATOM 276 N TYR A 59 -8.994 -9.644 5.036 1.00 0.00 N ATOM 277 CA TYR A 59 -8.967 -8.838 6.251 1.00 0.00 C ATOM 278 C TYR A 59 -7.555 -8.341 6.544 1.00 0.00 C ATOM 279 O TYR A 59 -6.584 -9.092 6.436 1.00 0.00 O ATOM 280 CB TYR A 59 -9.490 -9.650 7.437 1.00 0.00 C ATOM 281 CG TYR A 59 -9.266 -8.981 8.775 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.989 -8.871 9.313 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.329 -8.459 9.500 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.779 -8.262 10.534 1.00 0.00 C ATOM 285 CE2 TYR A 59 -10.128 -7.846 10.722 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.852 -7.750 11.235 1.00 0.00 C ATOM 287 OH TYR A 59 -8.647 -7.142 12.452 1.00 0.00 O ATOM 0 H TYR A 59 -8.849 -10.642 5.189 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.612 -7.973 6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.557 -9.827 7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.003 -10.625 7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.147 -9.269 8.766 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.330 -8.533 9.102 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.780 -8.187 10.938 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.966 -7.444 11.272 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.505 -6.836 12.813 1.00 0.00 H new ATOM 297 N THR A 60 -7.447 -7.069 6.915 1.00 0.00 N ATOM 298 CA THR A 60 -6.155 -6.470 7.224 1.00 0.00 C ATOM 299 C THR A 60 -6.311 -5.282 8.166 1.00 0.00 C ATOM 300 O THR A 60 -7.362 -4.643 8.205 1.00 0.00 O ATOM 301 CB THR A 60 -5.432 -6.006 5.945 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.312 -5.207 5.147 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.946 -7.198 5.135 1.00 0.00 C ATOM 0 H THR A 60 -8.239 -6.434 7.009 1.00 0.00 H new ATOM 0 HA THR A 60 -5.557 -7.240 7.712 1.00 0.00 H new ATOM 0 HB THR A 60 -4.568 -5.410 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.815 -4.453 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.439 -6.845 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.253 -7.788 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.797 -7.817 4.852 1.00 0.00 H new ATOM 311 N ASP A 61 -5.258 -4.990 8.922 1.00 0.00 N ATOM 312 CA ASP A 61 -5.278 -3.877 9.863 1.00 0.00 C ATOM 313 C ASP A 61 -4.181 -2.868 9.535 1.00 0.00 C ATOM 314 O ASP A 61 -2.993 -3.191 9.516 1.00 0.00 O ATOM 315 CB ASP A 61 -5.107 -4.388 11.295 1.00 0.00 C ATOM 316 CG ASP A 61 -3.654 -4.631 11.653 1.00 0.00 C ATOM 317 OD1 ASP A 61 -2.991 -3.681 12.120 1.00 0.00 O ATOM 318 OD2 ASP A 61 -3.179 -5.771 11.464 1.00 0.00 O ATOM 0 H ASP A 61 -4.380 -5.509 8.901 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.243 -3.378 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.533 -3.664 11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.668 -5.315 11.417 1.00 0.00 H new ATOM 323 N PRO A 62 -4.587 -1.618 9.269 1.00 0.00 N ATOM 324 CA PRO A 62 -5.998 -1.223 9.288 1.00 0.00 C ATOM 325 C PRO A 62 -6.785 -1.829 8.131 1.00 0.00 C ATOM 326 O PRO A 62 -6.220 -2.500 7.268 1.00 0.00 O ATOM 327 CB PRO A 62 -5.941 0.301 9.155 1.00 0.00 C ATOM 328 CG PRO A 62 -4.650 0.574 8.464 1.00 0.00 C ATOM 329 CD PRO A 62 -3.698 -0.494 8.929 1.00 0.00 C ATOM 0 HA PRO A 62 -6.506 -1.568 10.189 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.786 0.680 8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.978 0.785 10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.773 0.543 7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.276 1.567 8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.987 -0.766 8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.116 -0.167 9.791 1.00 0.00 H new ATOM 337 N SER A 63 -8.092 -1.587 8.119 1.00 0.00 N ATOM 338 CA SER A 63 -8.958 -2.112 7.070 1.00 0.00 C ATOM 339 C SER A 63 -8.610 -1.494 5.719 1.00 0.00 C ATOM 340 O SER A 63 -7.819 -0.555 5.639 1.00 0.00 O ATOM 341 CB SER A 63 -10.425 -1.840 7.406 1.00 0.00 C ATOM 342 OG SER A 63 -10.937 -2.822 8.289 1.00 0.00 O ATOM 0 H SER A 63 -8.575 -1.030 8.824 1.00 0.00 H new ATOM 0 HA SER A 63 -8.801 -3.189 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.520 -0.854 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.015 -1.828 6.489 1.00 0.00 H new ATOM 0 HG SER A 63 -11.876 -2.624 8.489 1.00 0.00 H new ATOM 348 N ALA A 64 -9.207 -2.029 4.659 1.00 0.00 N ATOM 349 CA ALA A 64 -8.963 -1.530 3.312 1.00 0.00 C ATOM 350 C ALA A 64 -9.505 -0.115 3.144 1.00 0.00 C ATOM 351 O ALA A 64 -8.915 0.706 2.442 1.00 0.00 O ATOM 352 CB ALA A 64 -9.587 -2.461 2.283 1.00 0.00 C ATOM 0 H ALA A 64 -9.863 -2.808 4.708 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.885 -1.500 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.397 -2.076 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.149 -3.455 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.662 -2.520 2.451 1.00 0.00 H new ATOM 358 N GLU A 65 -10.632 0.163 3.792 1.00 0.00 N ATOM 359 CA GLU A 65 -11.253 1.480 3.712 1.00 0.00 C ATOM 360 C GLU A 65 -10.285 2.567 4.170 1.00 0.00 C ATOM 361 O GLU A 65 -10.043 3.538 3.453 1.00 0.00 O ATOM 362 CB GLU A 65 -12.523 1.522 4.565 1.00 0.00 C ATOM 363 CG GLU A 65 -13.177 2.893 4.617 1.00 0.00 C ATOM 364 CD GLU A 65 -14.396 2.924 5.519 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.394 2.207 6.542 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.350 3.664 5.202 1.00 0.00 O ATOM 0 H GLU A 65 -11.133 -0.505 4.377 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.516 1.666 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.240 0.802 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.280 1.206 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.450 3.625 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.467 3.191 3.610 1.00 0.00 H new ATOM 373 N GLU A 66 -9.735 2.396 5.368 1.00 0.00 N ATOM 374 CA GLU A 66 -8.795 3.363 5.921 1.00 0.00 C ATOM 375 C GLU A 66 -7.582 3.527 5.009 1.00 0.00 C ATOM 376 O GLU A 66 -7.188 4.645 4.675 1.00 0.00 O ATOM 377 CB GLU A 66 -8.342 2.927 7.316 1.00 0.00 C ATOM 378 CG GLU A 66 -9.237 3.435 8.433 1.00 0.00 C ATOM 379 CD GLU A 66 -8.961 4.883 8.789 1.00 0.00 C ATOM 380 OE1 GLU A 66 -7.875 5.163 9.339 1.00 0.00 O ATOM 381 OE2 GLU A 66 -9.832 5.736 8.518 1.00 0.00 O ATOM 0 H GLU A 66 -9.924 1.597 5.974 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.304 4.324 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.310 1.838 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.326 3.282 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.280 3.331 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.096 2.814 9.318 1.00 0.00 H new ATOM 388 N LEU A 67 -6.995 2.404 4.609 1.00 0.00 N ATOM 389 CA LEU A 67 -5.827 2.421 3.735 1.00 0.00 C ATOM 390 C LEU A 67 -6.133 3.149 2.430 1.00 0.00 C ATOM 391 O LEU A 67 -5.297 3.887 1.908 1.00 0.00 O ATOM 392 CB LEU A 67 -5.365 0.993 3.440 1.00 0.00 C ATOM 393 CG LEU A 67 -4.671 0.261 4.589 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.473 -1.207 4.244 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.339 0.919 4.914 1.00 0.00 C ATOM 0 H LEU A 67 -7.309 1.471 4.876 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.028 2.956 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.232 0.408 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.684 1.021 2.590 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.308 0.323 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.978 -1.712 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.442 -1.672 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.857 -1.290 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.860 0.384 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.694 0.889 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.507 1.956 5.206 1.00 0.00 H new ATOM 407 N ARG A 68 -7.338 2.938 1.910 1.00 0.00 N ATOM 408 CA ARG A 68 -7.755 3.574 0.666 1.00 0.00 C ATOM 409 C ARG A 68 -7.610 5.091 0.756 1.00 0.00 C ATOM 410 O ARG A 68 -7.163 5.740 -0.189 1.00 0.00 O ATOM 411 CB ARG A 68 -9.205 3.208 0.343 1.00 0.00 C ATOM 412 CG ARG A 68 -9.779 3.979 -0.835 1.00 0.00 C ATOM 413 CD ARG A 68 -11.033 3.311 -1.379 1.00 0.00 C ATOM 414 NE ARG A 68 -11.854 4.238 -2.153 1.00 0.00 N ATOM 415 CZ ARG A 68 -11.640 4.515 -3.434 1.00 0.00 C ATOM 416 NH1 ARG A 68 -10.637 3.940 -4.082 1.00 0.00 N ATOM 417 NH2 ARG A 68 -12.432 5.370 -4.070 1.00 0.00 N ATOM 0 H ARG A 68 -8.042 2.332 2.331 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.109 3.211 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.263 2.140 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.822 3.392 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.013 4.998 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.031 4.049 -1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.750 2.466 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.619 2.911 -0.551 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.634 4.698 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.027 3.282 -3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.476 4.155 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.205 5.814 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.267 5.583 -5.054 1.00 0.00 H new ATOM 431 N LYS A 69 -7.992 5.649 1.900 1.00 0.00 N ATOM 432 CA LYS A 69 -7.904 7.089 2.116 1.00 0.00 C ATOM 433 C LYS A 69 -6.452 7.527 2.281 1.00 0.00 C ATOM 434 O LYS A 69 -5.945 8.337 1.504 1.00 0.00 O ATOM 435 CB LYS A 69 -8.713 7.491 3.351 1.00 0.00 C ATOM 436 CG LYS A 69 -9.928 6.612 3.594 1.00 0.00 C ATOM 437 CD LYS A 69 -10.759 6.448 2.332 1.00 0.00 C ATOM 438 CE LYS A 69 -12.231 6.243 2.656 1.00 0.00 C ATOM 439 NZ LYS A 69 -13.018 5.868 1.449 1.00 0.00 N ATOM 0 H LYS A 69 -8.366 5.126 2.692 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.318 7.588 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.066 7.453 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.039 8.525 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.605 5.633 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.543 7.049 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.644 7.330 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.389 5.597 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.331 5.464 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.639 7.158 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.016 5.737 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.943 6.623 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.645 4.981 1.053 1.00 0.00 H new ATOM 453 N LEU A 70 -5.788 6.986 3.297 1.00 0.00 N ATOM 454 CA LEU A 70 -4.393 7.319 3.564 1.00 0.00 C ATOM 455 C LEU A 70 -3.633 7.562 2.264 1.00 0.00 C ATOM 456 O LEU A 70 -2.719 8.384 2.212 1.00 0.00 O ATOM 457 CB LEU A 70 -3.723 6.197 4.358 1.00 0.00 C ATOM 458 CG LEU A 70 -4.077 6.123 5.844 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.726 4.754 6.407 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.361 7.220 6.618 1.00 0.00 C ATOM 0 H LEU A 70 -6.193 6.315 3.949 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.370 8.236 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.984 5.245 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.643 6.310 4.267 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.151 6.273 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.984 4.719 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.284 3.986 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.657 4.575 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.625 7.152 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.283 7.101 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.661 8.194 6.231 1.00 0.00 H new ATOM 472 N MET A 71 -4.020 6.843 1.215 1.00 0.00 N ATOM 473 CA MET A 71 -3.377 6.983 -0.086 1.00 0.00 C ATOM 474 C MET A 71 -3.768 8.302 -0.747 1.00 0.00 C ATOM 475 O MET A 71 -2.930 9.182 -0.940 1.00 0.00 O ATOM 476 CB MET A 71 -3.756 5.812 -0.995 1.00 0.00 C ATOM 477 CG MET A 71 -3.276 4.464 -0.481 1.00 0.00 C ATOM 478 SD MET A 71 -1.554 4.133 -0.902 1.00 0.00 S ATOM 479 CE MET A 71 -0.789 4.211 0.715 1.00 0.00 C ATOM 0 H MET A 71 -4.775 6.158 1.241 1.00 0.00 H new ATOM 0 HA MET A 71 -2.298 6.980 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.840 5.785 -1.106 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.339 5.983 -1.987 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.394 4.429 0.602 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.905 3.676 -0.896 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.056 3.523 0.751 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.439 5.226 0.903 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.518 3.931 1.476 1.00 0.00 H new ATOM 489 N MET A 72 -5.045 8.430 -1.091 1.00 0.00 N ATOM 490 CA MET A 72 -5.546 9.642 -1.729 1.00 0.00 C ATOM 491 C MET A 72 -5.086 10.884 -0.973 1.00 0.00 C ATOM 492 O MET A 72 -4.816 11.925 -1.574 1.00 0.00 O ATOM 493 CB MET A 72 -7.074 9.611 -1.802 1.00 0.00 C ATOM 494 CG MET A 72 -7.752 9.964 -0.488 1.00 0.00 C ATOM 495 SD MET A 72 -9.502 10.349 -0.691 1.00 0.00 S ATOM 496 CE MET A 72 -10.157 8.736 -1.113 1.00 0.00 C ATOM 0 H MET A 72 -5.751 7.710 -0.939 1.00 0.00 H new ATOM 0 HA MET A 72 -5.142 9.684 -2.741 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.407 10.307 -2.572 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.395 8.616 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.645 9.131 0.207 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.245 10.819 -0.040 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.146 8.618 -0.671 1.00 0.00 H new ATOM 0 HE2 MET A 72 -10.231 8.645 -2.197 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.493 7.962 -0.729 1.00 0.00 H new ATOM 506 N LEU A 73 -5.000 10.769 0.348 1.00 0.00 N ATOM 507 CA LEU A 73 -4.573 11.884 1.186 1.00 0.00 C ATOM 508 C LEU A 73 -3.065 12.095 1.085 1.00 0.00 C ATOM 509 O LEU A 73 -2.568 13.203 1.290 1.00 0.00 O ATOM 510 CB LEU A 73 -4.967 11.632 2.643 1.00 0.00 C ATOM 511 CG LEU A 73 -6.457 11.758 2.966 1.00 0.00 C ATOM 512 CD1 LEU A 73 -7.136 10.400 2.890 1.00 0.00 C ATOM 513 CD2 LEU A 73 -6.653 12.379 4.342 1.00 0.00 C ATOM 0 H LEU A 73 -5.220 9.916 0.861 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.072 12.786 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.639 10.630 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.418 12.332 3.273 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.916 12.412 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.195 10.509 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.025 9.994 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.675 9.722 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.719 12.461 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.179 11.750 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.202 13.371 4.361 1.00 0.00 H new ATOM 525 N HIS A 74 -2.343 11.026 0.766 1.00 0.00 N ATOM 526 CA HIS A 74 -0.892 11.094 0.635 1.00 0.00 C ATOM 527 C HIS A 74 -0.470 10.925 -0.821 1.00 0.00 C ATOM 528 O HIS A 74 0.662 10.538 -1.109 1.00 0.00 O ATOM 529 CB HIS A 74 -0.229 10.021 1.499 1.00 0.00 C ATOM 530 CG HIS A 74 -0.155 10.382 2.951 1.00 0.00 C ATOM 531 ND1 HIS A 74 0.715 11.330 3.447 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.851 9.918 4.015 1.00 0.00 C ATOM 533 CE1 HIS A 74 0.553 11.431 4.754 1.00 0.00 C ATOM 534 NE2 HIS A 74 -0.392 10.586 5.124 1.00 0.00 N ATOM 0 H HIS A 74 -2.739 10.102 0.593 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.567 12.076 0.978 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.782 9.088 1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.779 9.838 1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.623 9.163 3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.101 12.092 5.409 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.727 10.451 6.078 1.00 0.00 H new ATOM 542 N GLY A 75 -1.389 11.216 -1.737 1.00 0.00 N ATOM 543 CA GLY A 75 -1.093 11.089 -3.152 1.00 0.00 C ATOM 544 C GLY A 75 -0.779 9.661 -3.552 1.00 0.00 C ATOM 545 O GLY A 75 0.250 9.394 -4.172 1.00 0.00 O ATOM 0 H GLY A 75 -2.333 11.537 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.944 11.447 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.246 11.728 -3.402 1.00 0.00 H new ATOM 549 N GLY A 76 -1.669 8.739 -3.196 1.00 0.00 N ATOM 550 CA GLY A 76 -1.462 7.341 -3.528 1.00 0.00 C ATOM 551 C GLY A 76 -2.493 6.821 -4.510 1.00 0.00 C ATOM 552 O GLY A 76 -3.392 7.554 -4.922 1.00 0.00 O ATOM 0 H GLY A 76 -2.529 8.935 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.465 7.215 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.499 6.745 -2.616 1.00 0.00 H new ATOM 556 N GLN A 77 -2.363 5.553 -4.886 1.00 0.00 N ATOM 557 CA GLN A 77 -3.290 4.936 -5.828 1.00 0.00 C ATOM 558 C GLN A 77 -3.994 3.740 -5.195 1.00 0.00 C ATOM 559 O GLN A 77 -3.407 3.018 -4.389 1.00 0.00 O ATOM 560 CB GLN A 77 -2.549 4.497 -7.092 1.00 0.00 C ATOM 561 CG GLN A 77 -2.173 5.650 -8.009 1.00 0.00 C ATOM 562 CD GLN A 77 -3.323 6.092 -8.892 1.00 0.00 C ATOM 563 OE1 GLN A 77 -3.698 7.265 -8.902 1.00 0.00 O ATOM 564 NE2 GLN A 77 -3.890 5.153 -9.640 1.00 0.00 N ATOM 0 H GLN A 77 -1.625 4.933 -4.553 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.043 5.677 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.644 3.962 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.173 3.794 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.837 6.494 -7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.333 5.352 -8.636 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.547 4.193 -9.600 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.669 5.391 -10.254 1.00 0.00 H new ATOM 573 N TYR A 78 -5.253 3.538 -5.565 1.00 0.00 N ATOM 574 CA TYR A 78 -6.038 2.431 -5.032 1.00 0.00 C ATOM 575 C TYR A 78 -6.851 1.759 -6.134 1.00 0.00 C ATOM 576 O TYR A 78 -7.587 2.418 -6.868 1.00 0.00 O ATOM 577 CB TYR A 78 -6.969 2.926 -3.924 1.00 0.00 C ATOM 578 CG TYR A 78 -7.742 1.819 -3.243 1.00 0.00 C ATOM 579 CD1 TYR A 78 -8.890 1.290 -3.818 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.322 1.301 -2.023 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.599 0.279 -3.199 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.024 0.289 -1.397 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.162 -0.218 -1.989 1.00 0.00 C ATOM 584 OH TYR A 78 -9.865 -1.226 -1.369 1.00 0.00 O ATOM 0 H TYR A 78 -5.752 4.126 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.348 1.697 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.380 3.459 -3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.673 3.643 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.235 1.676 -4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.432 1.696 -1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.490 -0.120 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.684 -0.103 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.250 -1.945 -1.115 1.00 0.00 H new ATOM 594 N HIS A 79 -6.714 0.441 -6.242 1.00 0.00 N ATOM 595 CA HIS A 79 -7.437 -0.322 -7.253 1.00 0.00 C ATOM 596 C HIS A 79 -8.393 -1.317 -6.602 1.00 0.00 C ATOM 597 O HIS A 79 -7.979 -2.166 -5.812 1.00 0.00 O ATOM 598 CB HIS A 79 -6.455 -1.062 -8.163 1.00 0.00 C ATOM 599 CG HIS A 79 -5.415 -0.172 -8.770 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.180 -0.628 -9.179 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.432 1.155 -9.038 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.481 0.379 -9.671 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.218 1.473 -9.597 1.00 0.00 N ATOM 0 H HIS A 79 -6.109 -0.120 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.020 0.377 -7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.961 -1.846 -7.589 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.011 -1.554 -8.961 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.856 -1.593 -9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.248 1.837 -8.848 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.478 0.318 -10.066 1.00 0.00 H new ATOM 611 N VAL A 80 -9.675 -1.205 -6.937 1.00 0.00 N ATOM 612 CA VAL A 80 -10.690 -2.095 -6.386 1.00 0.00 C ATOM 613 C VAL A 80 -10.481 -3.528 -6.860 1.00 0.00 C ATOM 614 O VAL A 80 -10.667 -4.479 -6.099 1.00 0.00 O ATOM 615 CB VAL A 80 -12.108 -1.638 -6.776 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.153 -2.550 -6.152 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.334 -0.192 -6.363 1.00 0.00 C ATOM 0 H VAL A 80 -10.035 -0.507 -7.587 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.589 -2.057 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.207 -1.701 -7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.149 -2.212 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.001 -3.571 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.059 -2.522 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.341 0.114 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.217 -0.099 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.606 0.447 -6.863 1.00 0.00 H new ATOM 627 N TYR A 81 -10.092 -3.677 -8.122 1.00 0.00 N ATOM 628 CA TYR A 81 -9.859 -4.996 -8.699 1.00 0.00 C ATOM 629 C TYR A 81 -8.367 -5.250 -8.892 1.00 0.00 C ATOM 630 O TYR A 81 -7.648 -4.411 -9.434 1.00 0.00 O ATOM 631 CB TYR A 81 -10.588 -5.126 -10.038 1.00 0.00 C ATOM 632 CG TYR A 81 -12.094 -5.101 -9.912 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.812 -6.272 -9.703 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.800 -3.908 -10.004 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.189 -6.255 -9.588 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.176 -3.881 -9.889 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.866 -5.057 -9.681 1.00 0.00 C ATOM 638 OH TYR A 81 -16.237 -5.035 -9.568 1.00 0.00 O ATOM 0 H TYR A 81 -9.932 -2.901 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.249 -5.742 -8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.273 -4.314 -10.694 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.287 -6.058 -10.517 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.285 -7.212 -9.629 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.263 -2.985 -10.168 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.732 -7.175 -9.426 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.709 -2.944 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.558 -4.113 -9.655 1.00 0.00 H new ATOM 648 N TYR A 82 -7.910 -6.414 -8.445 1.00 0.00 N ATOM 649 CA TYR A 82 -6.504 -6.780 -8.566 1.00 0.00 C ATOM 650 C TYR A 82 -6.020 -6.615 -10.004 1.00 0.00 C ATOM 651 O TYR A 82 -6.715 -6.984 -10.951 1.00 0.00 O ATOM 652 CB TYR A 82 -6.289 -8.223 -8.107 1.00 0.00 C ATOM 653 CG TYR A 82 -4.941 -8.788 -8.494 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.773 -8.070 -8.264 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.835 -10.038 -9.091 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.539 -8.582 -8.616 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.605 -10.558 -9.445 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.460 -9.826 -9.206 1.00 0.00 C ATOM 659 OH TYR A 82 -1.234 -10.340 -9.560 1.00 0.00 O ATOM 0 H TYR A 82 -8.493 -7.120 -7.996 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.925 -6.113 -7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.396 -8.270 -7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.072 -8.851 -8.532 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.831 -7.095 -7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.729 -10.613 -9.282 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.641 -8.011 -8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.540 -11.532 -9.906 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.354 -11.225 -9.963 1.00 0.00 H new ATOM 669 N SER A 83 -4.823 -6.059 -10.158 1.00 0.00 N ATOM 670 CA SER A 83 -4.245 -5.842 -11.480 1.00 0.00 C ATOM 671 C SER A 83 -2.760 -6.191 -11.488 1.00 0.00 C ATOM 672 O SER A 83 -2.024 -5.841 -10.565 1.00 0.00 O ATOM 673 CB SER A 83 -4.442 -4.387 -11.912 1.00 0.00 C ATOM 674 OG SER A 83 -5.736 -4.186 -12.453 1.00 0.00 O ATOM 0 H SER A 83 -4.234 -5.750 -9.384 1.00 0.00 H new ATOM 0 HA SER A 83 -4.757 -6.496 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.296 -3.727 -11.057 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.689 -4.119 -12.653 1.00 0.00 H new ATOM 0 HG SER A 83 -5.837 -3.248 -12.720 1.00 0.00 H new ATOM 680 N ARG A 84 -2.327 -6.883 -12.536 1.00 0.00 N ATOM 681 CA ARG A 84 -0.931 -7.281 -12.665 1.00 0.00 C ATOM 682 C ARG A 84 -0.127 -6.214 -13.404 1.00 0.00 C ATOM 683 O ARG A 84 1.102 -6.193 -13.338 1.00 0.00 O ATOM 684 CB ARG A 84 -0.825 -8.617 -13.403 1.00 0.00 C ATOM 685 CG ARG A 84 -1.712 -9.706 -12.822 1.00 0.00 C ATOM 686 CD ARG A 84 -1.244 -11.090 -13.245 1.00 0.00 C ATOM 687 NE ARG A 84 -1.817 -12.140 -12.408 1.00 0.00 N ATOM 688 CZ ARG A 84 -3.082 -12.538 -12.491 1.00 0.00 C ATOM 689 NH1 ARG A 84 -3.901 -11.976 -13.369 1.00 0.00 N ATOM 690 NH2 ARG A 84 -3.529 -13.501 -11.695 1.00 0.00 N ATOM 0 H ARG A 84 -2.923 -7.180 -13.309 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.518 -7.394 -11.663 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.088 -8.466 -14.450 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.211 -8.954 -13.380 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.710 -9.637 -11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.740 -9.553 -13.149 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.520 -11.264 -14.285 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.156 -11.137 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.213 -12.593 -11.722 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.561 -11.236 -13.983 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.872 -12.284 -13.431 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.901 -13.936 -11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.500 -13.806 -11.759 1.00 0.00 H new ATOM 704 N SER A 85 -0.830 -5.332 -14.106 1.00 0.00 N ATOM 705 CA SER A 85 -0.183 -4.265 -14.861 1.00 0.00 C ATOM 706 C SER A 85 -0.259 -2.942 -14.105 1.00 0.00 C ATOM 707 O SER A 85 0.717 -2.194 -14.039 1.00 0.00 O ATOM 708 CB SER A 85 -0.834 -4.118 -16.237 1.00 0.00 C ATOM 709 OG SER A 85 -0.247 -5.003 -17.176 1.00 0.00 O ATOM 0 H SER A 85 -1.848 -5.335 -14.168 1.00 0.00 H new ATOM 0 HA SER A 85 0.866 -4.530 -14.991 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.902 -4.320 -16.161 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.728 -3.091 -16.585 1.00 0.00 H new ATOM 0 HG SER A 85 -0.682 -4.891 -18.047 1.00 0.00 H new ATOM 715 N LYS A 86 -1.425 -2.660 -13.535 1.00 0.00 N ATOM 716 CA LYS A 86 -1.631 -1.428 -12.782 1.00 0.00 C ATOM 717 C LYS A 86 -1.012 -1.530 -11.392 1.00 0.00 C ATOM 718 O LYS A 86 0.032 -0.937 -11.120 1.00 0.00 O ATOM 719 CB LYS A 86 -3.126 -1.122 -12.666 1.00 0.00 C ATOM 720 CG LYS A 86 -3.827 -0.992 -14.007 1.00 0.00 C ATOM 721 CD LYS A 86 -3.660 0.402 -14.590 1.00 0.00 C ATOM 722 CE LYS A 86 -4.031 0.436 -16.065 1.00 0.00 C ATOM 723 NZ LYS A 86 -2.931 -0.077 -16.927 1.00 0.00 N ATOM 0 H LYS A 86 -2.243 -3.268 -13.580 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.141 -0.616 -13.319 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.606 -1.913 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.256 -0.196 -12.106 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.425 -1.729 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.888 -1.213 -13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.285 1.105 -14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.628 0.729 -14.466 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.928 -0.162 -16.227 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.272 1.459 -16.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.224 -0.037 -17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.082 0.508 -16.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.717 -1.061 -16.668 1.00 0.00 H new ATOM 737 N THR A 87 -1.662 -2.289 -10.514 1.00 0.00 N ATOM 738 CA THR A 87 -1.176 -2.469 -9.152 1.00 0.00 C ATOM 739 C THR A 87 0.275 -2.936 -9.144 1.00 0.00 C ATOM 740 O THR A 87 0.677 -3.764 -9.962 1.00 0.00 O ATOM 741 CB THR A 87 -2.035 -3.487 -8.379 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.414 -3.105 -8.432 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.586 -3.583 -6.929 1.00 0.00 C ATOM 0 H THR A 87 -2.526 -2.789 -10.723 1.00 0.00 H new ATOM 0 HA THR A 87 -1.246 -1.499 -8.660 1.00 0.00 H new ATOM 0 HB THR A 87 -1.911 -4.464 -8.847 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.654 -2.631 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.207 -4.308 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.544 -3.902 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.684 -2.608 -6.452 1.00 0.00 H new ATOM 751 N THR A 88 1.059 -2.400 -8.213 1.00 0.00 N ATOM 752 CA THR A 88 2.466 -2.762 -8.099 1.00 0.00 C ATOM 753 C THR A 88 2.692 -3.735 -6.947 1.00 0.00 C ATOM 754 O THR A 88 3.497 -4.661 -7.053 1.00 0.00 O ATOM 755 CB THR A 88 3.350 -1.518 -7.886 1.00 0.00 C ATOM 756 OG1 THR A 88 2.833 -0.727 -6.811 1.00 0.00 O ATOM 757 CG2 THR A 88 3.418 -0.679 -9.153 1.00 0.00 C ATOM 0 H THR A 88 0.743 -1.714 -7.528 1.00 0.00 H new ATOM 0 HA THR A 88 2.746 -3.242 -9.037 1.00 0.00 H new ATOM 0 HB THR A 88 4.357 -1.854 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.045 -1.158 -5.957 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.047 0.194 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.840 -1.275 -9.962 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.415 -0.353 -9.428 1.00 0.00 H new ATOM 765 N HIS A 89 1.977 -3.519 -5.848 1.00 0.00 N ATOM 766 CA HIS A 89 2.099 -4.379 -4.676 1.00 0.00 C ATOM 767 C HIS A 89 0.730 -4.877 -4.222 1.00 0.00 C ATOM 768 O HIS A 89 -0.302 -4.382 -4.676 1.00 0.00 O ATOM 769 CB HIS A 89 2.785 -3.627 -3.534 1.00 0.00 C ATOM 770 CG HIS A 89 4.095 -3.013 -3.924 1.00 0.00 C ATOM 771 ND1 HIS A 89 4.194 -1.910 -4.744 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.364 -3.354 -3.598 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.467 -1.599 -4.908 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.198 -2.460 -4.223 1.00 0.00 N ATOM 0 H HIS A 89 1.307 -2.757 -5.744 1.00 0.00 H new ATOM 0 HA HIS A 89 2.707 -5.241 -4.951 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.119 -2.843 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.948 -4.314 -2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.664 -4.176 -2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.846 -0.780 -5.501 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.216 -2.461 -4.167 1.00 0.00 H new ATOM 782 N ILE A 90 0.730 -5.858 -3.326 1.00 0.00 N ATOM 783 CA ILE A 90 -0.512 -6.421 -2.812 1.00 0.00 C ATOM 784 C ILE A 90 -0.523 -6.429 -1.287 1.00 0.00 C ATOM 785 O ILE A 90 0.362 -7.005 -0.653 1.00 0.00 O ATOM 786 CB ILE A 90 -0.733 -7.858 -3.322 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.955 -7.855 -4.836 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.914 -8.498 -2.609 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.779 -9.215 -5.474 1.00 0.00 C ATOM 0 H ILE A 90 1.576 -6.279 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.320 -5.786 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 90 0.158 -8.447 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.960 -7.491 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.259 -7.154 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.057 -9.513 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.719 -8.528 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.814 -7.912 -2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.951 -9.138 -6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.235 -9.573 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.493 -9.915 -5.041 1.00 0.00 H new ATOM 801 N ILE A 91 -1.530 -5.786 -0.705 1.00 0.00 N ATOM 802 CA ILE A 91 -1.657 -5.722 0.746 1.00 0.00 C ATOM 803 C ILE A 91 -2.471 -6.896 1.280 1.00 0.00 C ATOM 804 O ILE A 91 -3.630 -7.080 0.910 1.00 0.00 O ATOM 805 CB ILE A 91 -2.321 -4.406 1.195 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.528 -3.206 0.674 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.429 -4.358 2.712 1.00 0.00 C ATOM 808 CD1 ILE A 91 -0.032 -3.432 0.655 1.00 0.00 C ATOM 0 H ILE A 91 -2.269 -5.302 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.647 -5.768 1.153 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.327 -4.362 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.864 -2.969 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.748 -2.338 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.900 -3.423 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.032 -5.197 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.433 -4.420 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.466 -2.540 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.318 -3.639 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.200 -4.280 0.010 1.00 0.00 H new ATOM 820 N ALA A 92 -1.855 -7.687 2.152 1.00 0.00 N ATOM 821 CA ALA A 92 -2.523 -8.842 2.740 1.00 0.00 C ATOM 822 C ALA A 92 -1.797 -9.316 3.994 1.00 0.00 C ATOM 823 O ALA A 92 -0.576 -9.477 3.995 1.00 0.00 O ATOM 824 CB ALA A 92 -2.617 -9.970 1.724 1.00 0.00 C ATOM 0 H ALA A 92 -0.895 -7.549 2.467 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.531 -8.541 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.118 -10.826 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.186 -9.633 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.615 -10.261 1.409 1.00 0.00 H new ATOM 830 N THR A 93 -2.555 -9.538 5.063 1.00 0.00 N ATOM 831 CA THR A 93 -1.984 -9.991 6.325 1.00 0.00 C ATOM 832 C THR A 93 -1.401 -11.394 6.192 1.00 0.00 C ATOM 833 O THR A 93 -0.212 -11.606 6.426 1.00 0.00 O ATOM 834 CB THR A 93 -3.036 -9.990 7.451 1.00 0.00 C ATOM 835 OG1 THR A 93 -4.310 -10.388 6.932 1.00 0.00 O ATOM 836 CG2 THR A 93 -3.149 -8.611 8.083 1.00 0.00 C ATOM 0 H THR A 93 -3.567 -9.411 5.080 1.00 0.00 H new ATOM 0 HA THR A 93 -1.188 -9.291 6.581 1.00 0.00 H new ATOM 0 HB THR A 93 -2.719 -10.699 8.216 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.906 -9.611 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.897 -8.634 8.875 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.185 -8.323 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.446 -7.886 7.325 1.00 0.00 H new ATOM 844 N ASN A 94 -2.246 -12.347 5.814 1.00 0.00 N ATOM 845 CA ASN A 94 -1.814 -13.730 5.649 1.00 0.00 C ATOM 846 C ASN A 94 -2.632 -14.431 4.569 1.00 0.00 C ATOM 847 O ASN A 94 -3.829 -14.180 4.420 1.00 0.00 O ATOM 848 CB ASN A 94 -1.941 -14.487 6.973 1.00 0.00 C ATOM 849 CG ASN A 94 -0.915 -15.597 7.105 1.00 0.00 C ATOM 850 OD1 ASN A 94 0.246 -15.431 6.732 1.00 0.00 O ATOM 851 ND2 ASN A 94 -1.341 -16.735 7.639 1.00 0.00 N ATOM 0 H ASN A 94 -3.234 -12.187 5.616 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.769 -13.723 5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.824 -13.788 7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.942 -14.910 7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -0.696 -17.517 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -2.313 -16.827 7.934 1.00 0.00 H new ATOM 858 N LEU A 95 -1.979 -15.312 3.818 1.00 0.00 N ATOM 859 CA LEU A 95 -2.646 -16.051 2.751 1.00 0.00 C ATOM 860 C LEU A 95 -2.289 -17.532 2.810 1.00 0.00 C ATOM 861 O LEU A 95 -1.164 -17.913 3.134 1.00 0.00 O ATOM 862 CB LEU A 95 -2.261 -15.475 1.388 1.00 0.00 C ATOM 863 CG LEU A 95 -2.430 -13.964 1.224 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.473 -13.430 0.171 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.869 -13.626 0.861 1.00 0.00 C ATOM 0 H LEU A 95 -0.989 -15.532 3.928 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.722 -15.950 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.219 -15.727 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.859 -15.972 0.624 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.193 -13.486 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.608 -12.353 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.447 -13.640 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.677 -13.914 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.972 -12.547 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.132 -14.116 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.535 -13.973 1.651 1.00 0.00 H new ATOM 877 N PRO A 96 -3.268 -18.390 2.488 1.00 0.00 N ATOM 878 CA PRO A 96 -3.081 -19.844 2.493 1.00 0.00 C ATOM 879 C PRO A 96 -2.164 -20.315 1.369 1.00 0.00 C ATOM 880 O PRO A 96 -1.858 -19.559 0.448 1.00 0.00 O ATOM 881 CB PRO A 96 -4.498 -20.386 2.290 1.00 0.00 C ATOM 882 CG PRO A 96 -5.223 -19.294 1.582 1.00 0.00 C ATOM 883 CD PRO A 96 -4.634 -18.007 2.092 1.00 0.00 C ATOM 0 HA PRO A 96 -2.606 -20.190 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.491 -21.303 1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.972 -20.623 3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.099 -19.379 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.293 -19.341 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.628 -17.235 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.201 -17.612 2.935 1.00 0.00 H new ATOM 891 N ASN A 97 -1.730 -21.568 1.451 1.00 0.00 N ATOM 892 CA ASN A 97 -0.848 -22.140 0.440 1.00 0.00 C ATOM 893 C ASN A 97 -1.416 -21.926 -0.960 1.00 0.00 C ATOM 894 O ASN A 97 -0.695 -21.540 -1.880 1.00 0.00 O ATOM 895 CB ASN A 97 -0.644 -23.634 0.697 1.00 0.00 C ATOM 896 CG ASN A 97 0.430 -23.901 1.734 1.00 0.00 C ATOM 897 OD1 ASN A 97 1.614 -23.989 1.409 1.00 0.00 O ATOM 898 ND2 ASN A 97 0.020 -24.032 2.990 1.00 0.00 N ATOM 0 H ASN A 97 -1.975 -22.207 2.207 1.00 0.00 H new ATOM 0 HA ASN A 97 0.115 -21.633 0.504 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.584 -24.074 1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.374 -24.127 -0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.697 -24.213 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.972 -23.951 3.214 1.00 0.00 H new ATOM 905 N ALA A 98 -2.711 -22.179 -1.113 1.00 0.00 N ATOM 906 CA ALA A 98 -3.376 -22.011 -2.399 1.00 0.00 C ATOM 907 C ALA A 98 -3.070 -20.644 -3.001 1.00 0.00 C ATOM 908 O ALA A 98 -2.497 -20.546 -4.086 1.00 0.00 O ATOM 909 CB ALA A 98 -4.878 -22.198 -2.245 1.00 0.00 C ATOM 0 H ALA A 98 -3.321 -22.501 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.994 -22.772 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.362 -22.070 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.083 -23.199 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.267 -21.459 -1.544 1.00 0.00 H new ATOM 915 N LYS A 99 -3.457 -19.590 -2.291 1.00 0.00 N ATOM 916 CA LYS A 99 -3.224 -18.227 -2.755 1.00 0.00 C ATOM 917 C LYS A 99 -1.753 -18.014 -3.098 1.00 0.00 C ATOM 918 O LYS A 99 -1.421 -17.579 -4.201 1.00 0.00 O ATOM 919 CB LYS A 99 -3.661 -17.222 -1.687 1.00 0.00 C ATOM 920 CG LYS A 99 -5.163 -17.004 -1.635 1.00 0.00 C ATOM 921 CD LYS A 99 -5.608 -15.942 -2.626 1.00 0.00 C ATOM 922 CE LYS A 99 -5.911 -16.544 -3.989 1.00 0.00 C ATOM 923 NZ LYS A 99 -6.881 -15.716 -4.758 1.00 0.00 N ATOM 0 H LYS A 99 -3.934 -19.653 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.816 -18.070 -3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.319 -17.569 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.170 -16.267 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.675 -17.942 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.454 -16.707 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.495 -15.436 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.829 -15.187 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.986 -16.641 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.313 -17.549 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.628 -16.327 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.306 -15.005 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.387 -15.237 -5.538 1.00 0.00 H new ATOM 937 N ILE A 100 -0.878 -18.323 -2.148 1.00 0.00 N ATOM 938 CA ILE A 100 0.557 -18.167 -2.352 1.00 0.00 C ATOM 939 C ILE A 100 0.966 -18.619 -3.750 1.00 0.00 C ATOM 940 O ILE A 100 1.464 -17.826 -4.550 1.00 0.00 O ATOM 941 CB ILE A 100 1.364 -18.964 -1.311 1.00 0.00 C ATOM 942 CG1 ILE A 100 1.129 -18.398 0.091 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.845 -18.940 -1.656 1.00 0.00 C ATOM 944 CD1 ILE A 100 1.794 -19.202 1.187 1.00 0.00 C ATOM 0 H ILE A 100 -1.137 -18.683 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 100 0.778 -17.106 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 100 1.025 -20.000 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.500 -17.374 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.057 -18.356 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.402 -19.508 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.997 -19.386 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.200 -17.909 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.585 -18.743 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.406 -20.220 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.871 -19.223 1.021 1.00 0.00 H new ATOM 956 N LYS A 101 0.750 -19.897 -4.039 1.00 0.00 N ATOM 957 CA LYS A 101 1.093 -20.456 -5.342 1.00 0.00 C ATOM 958 C LYS A 101 0.411 -19.679 -6.463 1.00 0.00 C ATOM 959 O LYS A 101 0.988 -19.479 -7.531 1.00 0.00 O ATOM 960 CB LYS A 101 0.689 -21.931 -5.409 1.00 0.00 C ATOM 961 CG LYS A 101 0.882 -22.552 -6.782 1.00 0.00 C ATOM 962 CD LYS A 101 0.494 -24.021 -6.789 1.00 0.00 C ATOM 963 CE LYS A 101 1.238 -24.789 -7.870 1.00 0.00 C ATOM 964 NZ LYS A 101 0.723 -24.469 -9.231 1.00 0.00 N ATOM 0 H LYS A 101 0.339 -20.566 -3.388 1.00 0.00 H new ATOM 0 HA LYS A 101 2.172 -20.375 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.273 -22.493 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.358 -22.026 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.281 -22.013 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.924 -22.448 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.710 -24.460 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.580 -24.114 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.301 -24.552 -7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.141 -25.859 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.255 -25.012 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.285 -24.719 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.838 -23.452 -9.416 1.00 0.00 H new ATOM 978 N GLU A 102 -0.820 -19.244 -6.212 1.00 0.00 N ATOM 979 CA GLU A 102 -1.579 -18.488 -7.202 1.00 0.00 C ATOM 980 C GLU A 102 -0.941 -17.125 -7.452 1.00 0.00 C ATOM 981 O GLU A 102 -1.007 -16.589 -8.559 1.00 0.00 O ATOM 982 CB GLU A 102 -3.026 -18.309 -6.739 1.00 0.00 C ATOM 983 CG GLU A 102 -3.823 -17.339 -7.595 1.00 0.00 C ATOM 984 CD GLU A 102 -5.107 -16.890 -6.925 1.00 0.00 C ATOM 985 OE1 GLU A 102 -5.902 -17.764 -6.520 1.00 0.00 O ATOM 986 OE2 GLU A 102 -5.318 -15.664 -6.807 1.00 0.00 O ATOM 0 H GLU A 102 -1.312 -19.402 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.571 -19.050 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.523 -19.279 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.028 -17.956 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.209 -16.466 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.061 -17.812 -8.548 1.00 0.00 H new ATOM 993 N LEU A 103 -0.324 -16.568 -6.415 1.00 0.00 N ATOM 994 CA LEU A 103 0.326 -15.266 -6.521 1.00 0.00 C ATOM 995 C LEU A 103 1.827 -15.423 -6.743 1.00 0.00 C ATOM 996 O LEU A 103 2.631 -14.691 -6.167 1.00 0.00 O ATOM 997 CB LEU A 103 0.070 -14.442 -5.258 1.00 0.00 C ATOM 998 CG LEU A 103 -1.397 -14.207 -4.896 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.508 -13.436 -3.590 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.111 -13.467 -6.018 1.00 0.00 C ATOM 0 H LEU A 103 -0.260 -16.997 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.097 -14.745 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.555 -14.940 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.554 -13.473 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.878 -15.176 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.559 -13.278 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.034 -14.005 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.011 -12.472 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.154 -13.308 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.629 -12.504 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.063 -14.058 -6.932 1.00 0.00 H new ATOM 1012 N LYS A 104 2.198 -16.382 -7.585 1.00 0.00 N ATOM 1013 CA LYS A 104 3.602 -16.635 -7.888 1.00 0.00 C ATOM 1014 C LYS A 104 4.255 -15.403 -8.507 1.00 0.00 C ATOM 1015 O LYS A 104 3.715 -14.803 -9.435 1.00 0.00 O ATOM 1016 CB LYS A 104 3.733 -17.827 -8.839 1.00 0.00 C ATOM 1017 CG LYS A 104 5.093 -18.502 -8.782 1.00 0.00 C ATOM 1018 CD LYS A 104 5.253 -19.525 -9.894 1.00 0.00 C ATOM 1019 CE LYS A 104 5.846 -18.898 -11.147 1.00 0.00 C ATOM 1020 NZ LYS A 104 7.279 -18.539 -10.963 1.00 0.00 N ATOM 0 H LYS A 104 1.545 -16.997 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 104 4.114 -16.866 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.962 -18.560 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.546 -17.490 -9.859 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.878 -17.750 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.218 -18.991 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.895 -20.337 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.283 -19.963 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.750 -19.593 -11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.279 -18.005 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.734 -18.439 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.348 -17.640 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.758 -19.287 -10.422 1.00 0.00 H new ATOM 1034 N GLY A 105 5.421 -15.032 -7.986 1.00 0.00 N ATOM 1035 CA GLY A 105 6.129 -13.875 -8.501 1.00 0.00 C ATOM 1036 C GLY A 105 5.607 -12.573 -7.926 1.00 0.00 C ATOM 1037 O GLY A 105 6.365 -11.621 -7.741 1.00 0.00 O ATOM 0 H GLY A 105 5.888 -15.512 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.190 -13.970 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.039 -13.851 -9.587 1.00 0.00 H new ATOM 1041 N GLU A 106 4.308 -12.531 -7.644 1.00 0.00 N ATOM 1042 CA GLU A 106 3.686 -11.334 -7.089 1.00 0.00 C ATOM 1043 C GLU A 106 4.414 -10.877 -5.828 1.00 0.00 C ATOM 1044 O GLU A 106 5.254 -11.597 -5.287 1.00 0.00 O ATOM 1045 CB GLU A 106 2.213 -11.598 -6.773 1.00 0.00 C ATOM 1046 CG GLU A 106 1.341 -11.742 -8.010 1.00 0.00 C ATOM 1047 CD GLU A 106 1.837 -12.822 -8.951 1.00 0.00 C ATOM 1048 OE1 GLU A 106 2.738 -12.533 -9.765 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.324 -13.958 -8.872 1.00 0.00 O ATOM 0 H GLU A 106 3.667 -13.311 -7.791 1.00 0.00 H new ATOM 0 HA GLU A 106 3.754 -10.542 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.135 -12.507 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.829 -10.781 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.320 -11.972 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.309 -10.790 -8.540 1.00 0.00 H new ATOM 1056 N LYS A 107 4.086 -9.676 -5.365 1.00 0.00 N ATOM 1057 CA LYS A 107 4.707 -9.121 -4.168 1.00 0.00 C ATOM 1058 C LYS A 107 3.656 -8.791 -3.114 1.00 0.00 C ATOM 1059 O LYS A 107 2.985 -7.761 -3.191 1.00 0.00 O ATOM 1060 CB LYS A 107 5.505 -7.863 -4.519 1.00 0.00 C ATOM 1061 CG LYS A 107 6.611 -8.107 -5.531 1.00 0.00 C ATOM 1062 CD LYS A 107 7.756 -7.124 -5.353 1.00 0.00 C ATOM 1063 CE LYS A 107 7.425 -5.768 -5.959 1.00 0.00 C ATOM 1064 NZ LYS A 107 7.512 -5.789 -7.446 1.00 0.00 N ATOM 0 H LYS A 107 3.393 -9.068 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 107 5.384 -9.871 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.824 -7.109 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.941 -7.454 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.985 -9.125 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.208 -8.019 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.974 -7.006 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.656 -7.523 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.420 -5.471 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.110 -5.017 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.431 -4.819 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.426 -6.193 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.740 -6.370 -7.831 1.00 0.00 H new ATOM 1078 N VAL A 108 3.517 -9.671 -2.127 1.00 0.00 N ATOM 1079 CA VAL A 108 2.549 -9.472 -1.055 1.00 0.00 C ATOM 1080 C VAL A 108 3.193 -8.789 0.147 1.00 0.00 C ATOM 1081 O VAL A 108 3.938 -9.414 0.902 1.00 0.00 O ATOM 1082 CB VAL A 108 1.930 -10.808 -0.602 1.00 0.00 C ATOM 1083 CG1 VAL A 108 0.958 -10.584 0.546 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.241 -11.498 -1.769 1.00 0.00 C ATOM 0 H VAL A 108 4.063 -10.529 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 108 1.762 -8.833 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 108 2.730 -11.458 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.531 -11.539 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.486 -10.136 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.160 -9.917 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.809 -12.440 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.451 -10.855 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.968 -11.694 -2.557 1.00 0.00 H new ATOM 1094 N ILE A 109 2.899 -7.505 0.318 1.00 0.00 N ATOM 1095 CA ILE A 109 3.448 -6.738 1.429 1.00 0.00 C ATOM 1096 C ILE A 109 2.402 -6.522 2.518 1.00 0.00 C ATOM 1097 O ILE A 109 1.225 -6.309 2.228 1.00 0.00 O ATOM 1098 CB ILE A 109 3.977 -5.369 0.962 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.774 -5.521 -0.336 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.835 -4.734 2.045 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.039 -6.335 -0.176 1.00 0.00 C ATOM 0 H ILE A 109 2.284 -6.974 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 109 4.276 -7.319 1.834 1.00 0.00 H new ATOM 0 HB ILE A 109 3.127 -4.715 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.141 -5.992 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.033 -4.531 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.201 -3.767 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.239 -4.595 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.681 -5.384 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.553 -6.401 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.692 -5.854 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.786 -7.337 0.170 1.00 0.00 H new ATOM 1113 N ARG A 110 2.841 -6.577 3.771 1.00 0.00 N ATOM 1114 CA ARG A 110 1.943 -6.387 4.904 1.00 0.00 C ATOM 1115 C ARG A 110 1.392 -4.964 4.927 1.00 0.00 C ATOM 1116 O ARG A 110 2.004 -4.026 4.417 1.00 0.00 O ATOM 1117 CB ARG A 110 2.672 -6.684 6.215 1.00 0.00 C ATOM 1118 CG ARG A 110 3.042 -8.148 6.387 1.00 0.00 C ATOM 1119 CD ARG A 110 3.332 -8.483 7.842 1.00 0.00 C ATOM 1120 NE ARG A 110 4.304 -9.565 7.972 1.00 0.00 N ATOM 1121 CZ ARG A 110 4.650 -10.106 9.135 1.00 0.00 C ATOM 1122 NH1 ARG A 110 4.106 -9.668 10.262 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.541 -11.088 9.172 1.00 0.00 N ATOM 0 H ARG A 110 3.813 -6.752 4.027 1.00 0.00 H new ATOM 0 HA ARG A 110 1.109 -7.080 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.579 -6.081 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.042 -6.377 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.228 -8.775 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.917 -8.377 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.708 -7.595 8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.405 -8.767 8.340 1.00 0.00 H new ATOM 0 HE ARG A 110 4.741 -9.925 7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.420 -8.914 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.374 -10.085 11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.961 -11.428 8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.806 -11.503 10.065 1.00 0.00 H new ATOM 1137 N PRO A 111 0.207 -4.798 5.533 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.453 -3.493 5.638 1.00 0.00 C ATOM 1139 C PRO A 111 0.275 -2.550 6.589 1.00 0.00 C ATOM 1140 O PRO A 111 -0.176 -1.432 6.835 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.839 -3.840 6.187 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.648 -5.126 6.915 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.580 -5.872 6.164 1.00 0.00 C ATOM 0 HA PRO A 111 -0.476 -2.970 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.208 -3.060 6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.568 -3.945 5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.348 -4.949 7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.575 -5.698 6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.031 -6.479 6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.007 -6.546 5.422 1.00 0.00 H new ATOM 1151 N GLU A 112 1.405 -3.008 7.120 1.00 0.00 N ATOM 1152 CA GLU A 112 2.195 -2.203 8.044 1.00 0.00 C ATOM 1153 C GLU A 112 3.224 -1.364 7.292 1.00 0.00 C ATOM 1154 O GLU A 112 3.584 -0.269 7.725 1.00 0.00 O ATOM 1155 CB GLU A 112 2.900 -3.101 9.063 1.00 0.00 C ATOM 1156 CG GLU A 112 2.073 -3.373 10.309 1.00 0.00 C ATOM 1157 CD GLU A 112 2.435 -4.687 10.973 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.578 -4.809 11.462 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.576 -5.593 11.005 1.00 0.00 O ATOM 0 H GLU A 112 1.793 -3.931 6.926 1.00 0.00 H new ATOM 0 HA GLU A 112 1.518 -1.530 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.149 -4.050 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.841 -2.635 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.216 -2.559 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.016 -3.383 10.044 1.00 0.00 H new ATOM 1166 N TRP A 113 3.694 -1.886 6.164 1.00 0.00 N ATOM 1167 CA TRP A 113 4.682 -1.186 5.352 1.00 0.00 C ATOM 1168 C TRP A 113 4.239 0.245 5.069 1.00 0.00 C ATOM 1169 O TRP A 113 5.056 1.167 5.061 1.00 0.00 O ATOM 1170 CB TRP A 113 4.912 -1.932 4.036 1.00 0.00 C ATOM 1171 CG TRP A 113 5.723 -1.152 3.046 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.940 -0.570 3.260 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.374 -0.870 1.686 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.368 0.058 2.115 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.426 -0.112 1.135 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.277 -1.184 0.880 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.410 0.335 -0.183 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.262 -0.740 -0.428 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.323 0.013 -0.950 1.00 0.00 C ATOM 0 H TRP A 113 3.407 -2.791 5.792 1.00 0.00 H new ATOM 0 HA TRP A 113 5.617 -1.153 5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.416 -2.876 4.245 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.947 -2.177 3.592 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.485 -0.599 4.192 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.245 0.568 2.012 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.455 -1.764 1.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.227 0.916 -0.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.418 -0.977 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.282 0.345 -1.977 1.00 0.00 H new ATOM 1190 N ILE A 114 2.943 0.424 4.837 1.00 0.00 N ATOM 1191 CA ILE A 114 2.393 1.744 4.555 1.00 0.00 C ATOM 1192 C ILE A 114 2.218 2.552 5.837 1.00 0.00 C ATOM 1193 O ILE A 114 2.760 3.648 5.971 1.00 0.00 O ATOM 1194 CB ILE A 114 1.036 1.645 3.834 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.160 0.774 2.583 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.527 3.033 3.471 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.167 0.257 2.072 1.00 0.00 C ATOM 0 H ILE A 114 2.254 -0.328 4.839 1.00 0.00 H new ATOM 0 HA ILE A 114 3.105 2.251 3.904 1.00 0.00 H new ATOM 0 HB ILE A 114 0.317 1.179 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.644 1.351 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.810 -0.073 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.433 2.947 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.405 3.625 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.244 3.523 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.002 -0.353 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.643 -0.348 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.813 1.098 1.820 1.00 0.00 H new ATOM 1209 N VAL A 115 1.457 2.001 6.778 1.00 0.00 N ATOM 1210 CA VAL A 115 1.212 2.668 8.051 1.00 0.00 C ATOM 1211 C VAL A 115 2.491 3.290 8.600 1.00 0.00 C ATOM 1212 O VAL A 115 2.577 4.505 8.774 1.00 0.00 O ATOM 1213 CB VAL A 115 0.639 1.692 9.095 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.673 2.315 10.483 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.777 1.282 8.720 1.00 0.00 C ATOM 0 H VAL A 115 1.000 1.094 6.682 1.00 0.00 H new ATOM 0 HA VAL A 115 0.481 3.454 7.861 1.00 0.00 H new ATOM 0 HB VAL A 115 1.260 0.796 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.264 1.611 11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.703 2.554 10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.077 3.227 10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.166 0.592 9.469 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.412 2.167 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.768 0.793 7.746 1.00 0.00 H new ATOM 1225 N GLU A 116 3.483 2.448 8.871 1.00 0.00 N ATOM 1226 CA GLU A 116 4.758 2.916 9.401 1.00 0.00 C ATOM 1227 C GLU A 116 5.282 4.100 8.593 1.00 0.00 C ATOM 1228 O GLU A 116 5.717 5.105 9.156 1.00 0.00 O ATOM 1229 CB GLU A 116 5.787 1.783 9.391 1.00 0.00 C ATOM 1230 CG GLU A 116 5.492 0.684 10.397 1.00 0.00 C ATOM 1231 CD GLU A 116 5.971 1.027 11.794 1.00 0.00 C ATOM 1232 OE1 GLU A 116 7.195 1.206 11.973 1.00 0.00 O ATOM 1233 OE2 GLU A 116 5.125 1.117 12.708 1.00 0.00 O ATOM 0 H GLU A 116 3.428 1.439 8.732 1.00 0.00 H new ATOM 0 HA GLU A 116 4.597 3.242 10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.827 1.348 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.774 2.198 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.418 0.497 10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.969 -0.240 10.070 1.00 0.00 H new ATOM 1240 N SER A 117 5.236 3.973 7.271 1.00 0.00 N ATOM 1241 CA SER A 117 5.710 5.030 6.385 1.00 0.00 C ATOM 1242 C SER A 117 4.931 6.322 6.615 1.00 0.00 C ATOM 1243 O SER A 117 5.511 7.406 6.683 1.00 0.00 O ATOM 1244 CB SER A 117 5.579 4.596 4.924 1.00 0.00 C ATOM 1245 OG SER A 117 6.177 3.329 4.712 1.00 0.00 O ATOM 0 H SER A 117 4.876 3.149 6.790 1.00 0.00 H new ATOM 0 HA SER A 117 6.761 5.215 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.526 4.555 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.050 5.337 4.278 1.00 0.00 H new ATOM 0 HG SER A 117 5.481 2.639 4.685 1.00 0.00 H new ATOM 1251 N ILE A 118 3.613 6.197 6.735 1.00 0.00 N ATOM 1252 CA ILE A 118 2.754 7.353 6.959 1.00 0.00 C ATOM 1253 C ILE A 118 3.062 8.016 8.298 1.00 0.00 C ATOM 1254 O ILE A 118 3.295 9.223 8.367 1.00 0.00 O ATOM 1255 CB ILE A 118 1.265 6.964 6.923 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.933 6.255 5.608 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.391 8.196 7.102 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.260 5.331 5.704 1.00 0.00 C ATOM 0 H ILE A 118 3.117 5.307 6.681 1.00 0.00 H new ATOM 0 HA ILE A 118 2.957 8.057 6.152 1.00 0.00 H new ATOM 0 HB ILE A 118 1.064 6.278 7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.741 7.004 4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.802 5.681 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.659 7.904 7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.613 8.663 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.592 8.905 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.437 4.863 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.064 4.560 6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.141 5.903 5.997 1.00 0.00 H new ATOM 1270 N LYS A 119 3.064 7.218 9.360 1.00 0.00 N ATOM 1271 CA LYS A 119 3.346 7.724 10.698 1.00 0.00 C ATOM 1272 C LYS A 119 4.707 8.413 10.743 1.00 0.00 C ATOM 1273 O LYS A 119 4.880 9.422 11.426 1.00 0.00 O ATOM 1274 CB LYS A 119 3.306 6.583 11.717 1.00 0.00 C ATOM 1275 CG LYS A 119 1.935 5.946 11.862 1.00 0.00 C ATOM 1276 CD LYS A 119 2.024 4.577 12.517 1.00 0.00 C ATOM 1277 CE LYS A 119 1.977 4.681 14.033 1.00 0.00 C ATOM 1278 NZ LYS A 119 0.687 5.249 14.511 1.00 0.00 N ATOM 0 H LYS A 119 2.873 6.217 9.320 1.00 0.00 H new ATOM 0 HA LYS A 119 2.579 8.456 10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.024 5.818 11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.626 6.962 12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.292 6.594 12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.471 5.852 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.202 3.952 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.949 4.087 12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.122 3.693 14.469 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.800 5.307 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.506 4.929 15.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.737 6.288 14.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.084 4.928 13.892 1.00 0.00 H new ATOM 1292 N ALA A 120 5.669 7.861 10.010 1.00 0.00 N ATOM 1293 CA ALA A 120 7.012 8.424 9.964 1.00 0.00 C ATOM 1294 C ALA A 120 7.073 9.624 9.024 1.00 0.00 C ATOM 1295 O ALA A 120 7.903 10.515 9.193 1.00 0.00 O ATOM 1296 CB ALA A 120 8.015 7.364 9.534 1.00 0.00 C ATOM 0 H ALA A 120 5.542 7.025 9.440 1.00 0.00 H new ATOM 0 HA ALA A 120 7.269 8.767 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.014 7.799 9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.000 6.539 10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.751 6.994 8.543 1.00 0.00 H new ATOM 1302 N GLY A 121 6.186 9.639 8.033 1.00 0.00 N ATOM 1303 CA GLY A 121 6.157 10.734 7.081 1.00 0.00 C ATOM 1304 C GLY A 121 7.141 10.540 5.944 1.00 0.00 C ATOM 1305 O GLY A 121 7.507 11.497 5.262 1.00 0.00 O ATOM 0 H GLY A 121 5.488 8.913 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.151 10.831 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.383 11.667 7.598 1.00 0.00 H new ATOM 1309 N ARG A 122 7.571 9.299 5.741 1.00 0.00 N ATOM 1310 CA ARG A 122 8.521 8.984 4.681 1.00 0.00 C ATOM 1311 C ARG A 122 8.332 7.552 4.190 1.00 0.00 C ATOM 1312 O ARG A 122 7.880 6.682 4.937 1.00 0.00 O ATOM 1313 CB ARG A 122 9.955 9.179 5.178 1.00 0.00 C ATOM 1314 CG ARG A 122 10.374 8.176 6.240 1.00 0.00 C ATOM 1315 CD ARG A 122 11.704 8.556 6.872 1.00 0.00 C ATOM 1316 NE ARG A 122 11.669 9.893 7.459 1.00 0.00 N ATOM 1317 CZ ARG A 122 12.660 10.405 8.179 1.00 0.00 C ATOM 1318 NH1 ARG A 122 13.759 9.697 8.400 1.00 0.00 N ATOM 1319 NH2 ARG A 122 12.554 11.630 8.680 1.00 0.00 N ATOM 0 H ARG A 122 7.277 8.496 6.296 1.00 0.00 H new ATOM 0 HA ARG A 122 8.337 9.663 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.637 9.105 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.057 10.186 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.606 8.120 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.452 7.184 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 122 11.960 7.829 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.490 8.512 6.118 1.00 0.00 H new ATOM 0 HE ARG A 122 10.838 10.465 7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.845 8.756 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.518 10.094 8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 122 11.711 12.179 8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 122 13.316 12.022 9.233 1.00 0.00 H new ATOM 1333 N LEU A 123 8.680 7.313 2.931 1.00 0.00 N ATOM 1334 CA LEU A 123 8.548 5.986 2.339 1.00 0.00 C ATOM 1335 C LEU A 123 9.596 5.032 2.903 1.00 0.00 C ATOM 1336 O LEU A 123 10.785 5.351 2.944 1.00 0.00 O ATOM 1337 CB LEU A 123 8.685 6.069 0.817 1.00 0.00 C ATOM 1338 CG LEU A 123 8.035 4.935 0.023 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.573 4.781 0.411 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.169 5.187 -1.472 1.00 0.00 C ATOM 0 H LEU A 123 9.056 8.021 2.300 1.00 0.00 H new ATOM 0 HA LEU A 123 7.560 5.600 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.253 7.013 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.746 6.098 0.569 1.00 0.00 H new ATOM 0 HG LEU A 123 8.552 4.006 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.127 3.969 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.501 4.554 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.041 5.709 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.701 4.370 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.678 6.126 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.224 5.246 -1.738 1.00 0.00 H new ATOM 1352 N LEU A 124 9.147 3.858 3.336 1.00 0.00 N ATOM 1353 CA LEU A 124 10.046 2.855 3.896 1.00 0.00 C ATOM 1354 C LEU A 124 10.257 1.705 2.916 1.00 0.00 C ATOM 1355 O LEU A 124 9.630 1.655 1.858 1.00 0.00 O ATOM 1356 CB LEU A 124 9.486 2.320 5.215 1.00 0.00 C ATOM 1357 CG LEU A 124 9.082 3.372 6.249 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.342 2.723 7.409 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.306 4.125 6.749 1.00 0.00 C ATOM 0 H LEU A 124 8.167 3.578 3.310 1.00 0.00 H new ATOM 0 HA LEU A 124 11.009 3.330 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.614 1.704 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.233 1.666 5.665 1.00 0.00 H new ATOM 0 HG LEU A 124 8.411 4.086 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.062 3.486 8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.444 2.229 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.989 1.987 7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.000 4.870 7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.001 3.424 7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 124 10.795 4.622 5.911 1.00 0.00 H new ATOM 1371 N SER A 125 11.143 0.782 3.277 1.00 0.00 N ATOM 1372 CA SER A 125 11.439 -0.366 2.429 1.00 0.00 C ATOM 1373 C SER A 125 10.291 -1.371 2.457 1.00 0.00 C ATOM 1374 O SER A 125 9.431 -1.325 3.337 1.00 0.00 O ATOM 1375 CB SER A 125 12.734 -1.042 2.882 1.00 0.00 C ATOM 1376 OG SER A 125 13.864 -0.256 2.544 1.00 0.00 O ATOM 0 H SER A 125 11.668 0.807 4.151 1.00 0.00 H new ATOM 0 HA SER A 125 11.563 -0.009 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.707 -1.201 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.818 -2.024 2.417 1.00 0.00 H new ATOM 0 HG SER A 125 14.679 -0.709 2.846 1.00 0.00 H new ATOM 1382 N TYR A 126 10.285 -2.279 1.487 1.00 0.00 N ATOM 1383 CA TYR A 126 9.242 -3.295 1.398 1.00 0.00 C ATOM 1384 C TYR A 126 9.845 -4.696 1.405 1.00 0.00 C ATOM 1385 O TYR A 126 9.138 -5.688 1.587 1.00 0.00 O ATOM 1386 CB TYR A 126 8.410 -3.092 0.131 1.00 0.00 C ATOM 1387 CG TYR A 126 9.119 -3.519 -1.134 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.393 -4.859 -1.381 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.516 -2.584 -2.082 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.041 -5.254 -2.535 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.163 -2.970 -3.239 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.424 -4.307 -3.461 1.00 0.00 C ATOM 1393 OH TYR A 126 11.070 -4.695 -4.613 1.00 0.00 O ATOM 0 H TYR A 126 10.990 -2.332 0.752 1.00 0.00 H new ATOM 0 HA TYR A 126 8.595 -3.193 2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.480 -3.653 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.140 -2.039 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.094 -5.604 -0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.315 -1.537 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.247 -6.300 -2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.463 -2.230 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 126 11.269 -3.905 -5.158 1.00 0.00 H new ATOM 1403 N ILE A 127 11.157 -4.770 1.205 1.00 0.00 N ATOM 1404 CA ILE A 127 11.856 -6.049 1.190 1.00 0.00 C ATOM 1405 C ILE A 127 11.615 -6.823 2.481 1.00 0.00 C ATOM 1406 O ILE A 127 11.107 -7.944 2.477 1.00 0.00 O ATOM 1407 CB ILE A 127 13.372 -5.859 0.993 1.00 0.00 C ATOM 1408 CG1 ILE A 127 13.724 -5.896 -0.495 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.142 -6.930 1.751 1.00 0.00 C ATOM 1410 CD1 ILE A 127 15.127 -5.418 -0.797 1.00 0.00 C ATOM 0 H ILE A 127 11.757 -3.959 1.051 1.00 0.00 H new ATOM 0 HA ILE A 127 11.457 -6.617 0.350 1.00 0.00 H new ATOM 0 HB ILE A 127 13.656 -4.884 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.610 -6.916 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.013 -5.279 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.212 -6.783 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.910 -6.861 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.856 -7.914 1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 127 15.307 -5.472 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.240 -4.387 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 127 15.847 -6.050 -0.277 1.00 0.00 H new ATOM 1422 N PRO A 128 11.986 -6.211 3.616 1.00 0.00 N ATOM 1423 CA PRO A 128 11.818 -6.823 4.937 1.00 0.00 C ATOM 1424 C PRO A 128 10.354 -6.916 5.351 1.00 0.00 C ATOM 1425 O PRO A 128 10.036 -7.380 6.446 1.00 0.00 O ATOM 1426 CB PRO A 128 12.578 -5.874 5.867 1.00 0.00 C ATOM 1427 CG PRO A 128 12.558 -4.560 5.166 1.00 0.00 C ATOM 1428 CD PRO A 128 12.599 -4.874 3.696 1.00 0.00 C ATOM 0 HA PRO A 128 12.185 -7.849 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 128 12.099 -5.809 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.599 -6.218 6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.660 -3.996 5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.412 -3.949 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 128 12.042 -4.141 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.620 -4.876 3.314 1.00 0.00 H new ATOM 1436 N TYR A 129 9.465 -6.472 4.469 1.00 0.00 N ATOM 1437 CA TYR A 129 8.034 -6.503 4.744 1.00 0.00 C ATOM 1438 C TYR A 129 7.346 -7.593 3.928 1.00 0.00 C ATOM 1439 O TYR A 129 6.217 -7.985 4.223 1.00 0.00 O ATOM 1440 CB TYR A 129 7.404 -5.144 4.433 1.00 0.00 C ATOM 1441 CG TYR A 129 7.660 -4.101 5.497 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.839 -3.366 5.508 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.723 -3.850 6.492 1.00 0.00 C ATOM 1444 CE1 TYR A 129 9.077 -2.412 6.479 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.952 -2.897 7.465 1.00 0.00 C ATOM 1446 CZ TYR A 129 8.131 -2.181 7.455 1.00 0.00 C ATOM 1447 OH TYR A 129 8.363 -1.232 8.424 1.00 0.00 O ATOM 0 H TYR A 129 9.711 -6.086 3.557 1.00 0.00 H new ATOM 0 HA TYR A 129 7.898 -6.726 5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.792 -4.782 3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.328 -5.271 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.582 -3.543 4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.800 -4.410 6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.999 -1.850 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 129 6.212 -2.713 8.230 1.00 0.00 H new ATOM 0 HH TYR A 129 8.933 -0.523 8.058 1.00 0.00 H new ATOM 1457 N GLN A 130 8.036 -8.079 2.901 1.00 0.00 N ATOM 1458 CA GLN A 130 7.492 -9.124 2.042 1.00 0.00 C ATOM 1459 C GLN A 130 7.227 -10.399 2.837 1.00 0.00 C ATOM 1460 O GLN A 130 8.156 -11.040 3.329 1.00 0.00 O ATOM 1461 CB GLN A 130 8.454 -9.418 0.890 1.00 0.00 C ATOM 1462 CG GLN A 130 8.216 -8.553 -0.337 1.00 0.00 C ATOM 1463 CD GLN A 130 9.288 -8.731 -1.394 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.545 -8.568 -0.996 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 8.991 -9.012 -2.555 1.00 0.00 N flip ATOM 0 H GLN A 130 8.972 -7.766 2.644 1.00 0.00 H new ATOM 0 HA GLN A 130 6.546 -8.769 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.477 -9.270 1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.361 -10.467 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.244 -8.797 -0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.178 -7.506 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.012 -9.128 -2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.724 -9.129 -3.255 1.00 0.00 H new ATOM 1474 N LEU A 131 5.954 -10.760 2.958 1.00 0.00 N ATOM 1475 CA LEU A 131 5.566 -11.959 3.694 1.00 0.00 C ATOM 1476 C LEU A 131 6.335 -13.177 3.194 1.00 0.00 C ATOM 1477 O LEU A 131 7.136 -13.761 3.924 1.00 0.00 O ATOM 1478 CB LEU A 131 4.062 -12.199 3.558 1.00 0.00 C ATOM 1479 CG LEU A 131 3.166 -11.405 4.510 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.727 -11.413 4.020 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.254 -11.970 5.921 1.00 0.00 C ATOM 0 H LEU A 131 5.174 -10.240 2.556 1.00 0.00 H new ATOM 0 HA LEU A 131 5.810 -11.806 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.768 -11.965 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.869 -13.261 3.710 1.00 0.00 H new ATOM 0 HG LEU A 131 3.515 -10.373 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.105 -10.843 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.678 -10.961 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.366 -12.440 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 131 2.610 -11.393 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.931 -13.011 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.284 -11.911 6.273 1.00 0.00 H new ATOM 1493 N TYR A 132 6.087 -13.554 1.945 1.00 0.00 N ATOM 1494 CA TYR A 132 6.756 -14.704 1.346 1.00 0.00 C ATOM 1495 C TYR A 132 7.764 -14.259 0.291 1.00 0.00 C ATOM 1496 O TYR A 132 7.479 -14.279 -0.906 1.00 0.00 O ATOM 1497 CB TYR A 132 5.729 -15.649 0.720 1.00 0.00 C ATOM 1498 CG TYR A 132 4.485 -15.832 1.559 1.00 0.00 C ATOM 1499 CD1 TYR A 132 4.526 -16.542 2.753 1.00 0.00 C ATOM 1500 CD2 TYR A 132 3.267 -15.298 1.157 1.00 0.00 C ATOM 1501 CE1 TYR A 132 3.392 -16.712 3.523 1.00 0.00 C ATOM 1502 CE2 TYR A 132 2.128 -15.462 1.921 1.00 0.00 C ATOM 1503 CZ TYR A 132 2.195 -16.170 3.103 1.00 0.00 C ATOM 1504 OH TYR A 132 1.062 -16.338 3.865 1.00 0.00 O ATOM 0 H TYR A 132 5.428 -13.081 1.327 1.00 0.00 H new ATOM 0 HA TYR A 132 7.292 -15.232 2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 132 5.443 -15.265 -0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 132 6.194 -16.621 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 132 5.461 -16.968 3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 132 3.210 -14.745 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.442 -17.266 4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.190 -15.038 1.595 1.00 0.00 H new ATOM 0 HH TYR A 132 0.443 -16.940 3.402 1.00 0.00 H new