USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 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 57 ASN : amide:sc= -0.193 K(o=-0.31,f=-3.7!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -125:sc= -0.112 (180deg=-0.363) USER MOD Set 2.1: A 88 THR OG1 : rot 94:sc= 0.954 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -1.91! C(o=-0.95!,f=-6.4!) USER MOD Set 3.1: A 79 HIS : no HE2:sc= -3.62! C(o=-2.8!,f=-12!) USER MOD Set 3.2: A 87 THR OG1 : rot 180:sc= 0.82 USER MOD Single : A 47 THR OG1 : rot -19:sc= 0.36 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 150:sc= -0.137 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00342) USER MOD Single : A 71 MET CE :methyl 167:sc= -1.93 (180deg=-2.46!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-5.4!) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 78 TYR OH : rot 130:sc= -1.06 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 160: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 -125:sc= 0.724 USER MOD Single : A 94 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.1!) USER MOD Single : A 97 ASN : amide:sc= -0.0582 K(o=-0.058,f=-2.2!) 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 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 75:sc= 1.16 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= -0.161 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 : amide:sc= -1.39 K(o=-1.4,f=-2.3!) USER MOD Single : A 132 TYR OH : rot -95:sc= 0.0815 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 5.468 12.717 -1.666 1.00 0.00 N ATOM 103 CA THR A 47 5.325 11.761 -2.756 1.00 0.00 C ATOM 104 C THR A 47 5.944 10.416 -2.392 1.00 0.00 C ATOM 105 O THR A 47 6.515 9.734 -3.244 1.00 0.00 O ATOM 106 CB THR A 47 5.981 12.281 -4.049 1.00 0.00 C ATOM 107 OG1 THR A 47 7.218 12.935 -3.742 1.00 0.00 O ATOM 108 CG2 THR A 47 5.057 13.248 -4.774 1.00 0.00 C ATOM 0 HA THR A 47 4.256 11.633 -2.926 1.00 0.00 H new ATOM 0 HB THR A 47 6.173 11.429 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.234 13.175 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.542 13.602 -5.684 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.128 12.739 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.838 14.097 -4.126 1.00 0.00 H new ATOM 116 N ILE A 48 5.825 10.040 -1.123 1.00 0.00 N ATOM 117 CA ILE A 48 6.371 8.774 -0.648 1.00 0.00 C ATOM 118 C ILE A 48 5.645 7.591 -1.278 1.00 0.00 C ATOM 119 O ILE A 48 6.203 6.500 -1.402 1.00 0.00 O ATOM 120 CB ILE A 48 6.279 8.662 0.885 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.816 8.683 1.333 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.057 9.789 1.547 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.594 8.079 2.702 1.00 0.00 C ATOM 0 H ILE A 48 5.356 10.593 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 48 7.420 8.752 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 48 6.720 7.714 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.461 9.713 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.213 8.141 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.982 9.695 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.104 9.732 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.643 10.748 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.535 8.128 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.918 7.038 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.169 8.635 3.443 1.00 0.00 H new ATOM 135 N PHE A 49 4.397 7.814 -1.677 1.00 0.00 N ATOM 136 CA PHE A 49 3.593 6.766 -2.296 1.00 0.00 C ATOM 137 C PHE A 49 3.135 7.183 -3.690 1.00 0.00 C ATOM 138 O PHE A 49 2.076 6.765 -4.158 1.00 0.00 O ATOM 139 CB PHE A 49 2.378 6.443 -1.423 1.00 0.00 C ATOM 140 CG PHE A 49 2.723 5.685 -0.173 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.468 4.518 -0.237 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.302 6.139 1.067 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.787 3.818 0.911 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.618 5.444 2.219 1.00 0.00 C ATOM 145 CZ PHE A 49 3.361 4.281 2.141 1.00 0.00 C ATOM 0 H PHE A 49 3.920 8.711 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 49 4.213 5.874 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.880 7.373 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.666 5.860 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.803 4.151 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.720 7.046 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.369 2.910 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.285 5.809 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.608 3.735 3.040 1.00 0.00 H new ATOM 155 N SER A 50 3.940 8.011 -4.348 1.00 0.00 N ATOM 156 CA SER A 50 3.617 8.490 -5.686 1.00 0.00 C ATOM 157 C SER A 50 3.286 7.325 -6.614 1.00 0.00 C ATOM 158 O SER A 50 4.020 6.340 -6.680 1.00 0.00 O ATOM 159 CB SER A 50 4.784 9.296 -6.259 1.00 0.00 C ATOM 160 OG SER A 50 5.664 8.467 -6.997 1.00 0.00 O ATOM 0 H SER A 50 4.821 8.364 -3.975 1.00 0.00 H new ATOM 0 HA SER A 50 2.741 9.135 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.401 10.088 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.329 9.779 -5.448 1.00 0.00 H new ATOM 0 HG SER A 50 6.400 9.007 -7.354 1.00 0.00 H new ATOM 166 N GLY A 51 2.172 7.446 -7.332 1.00 0.00 N ATOM 167 CA GLY A 51 1.762 6.396 -8.246 1.00 0.00 C ATOM 168 C GLY A 51 1.911 5.013 -7.646 1.00 0.00 C ATOM 169 O GLY A 51 2.360 4.082 -8.316 1.00 0.00 O ATOM 0 H GLY A 51 1.547 8.252 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.722 6.554 -8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.357 6.459 -9.157 1.00 0.00 H new ATOM 173 N VAL A 52 1.536 4.876 -6.378 1.00 0.00 N ATOM 174 CA VAL A 52 1.631 3.595 -5.687 1.00 0.00 C ATOM 175 C VAL A 52 0.248 3.016 -5.411 1.00 0.00 C ATOM 176 O VAL A 52 -0.416 3.398 -4.448 1.00 0.00 O ATOM 177 CB VAL A 52 2.393 3.731 -4.356 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.171 2.504 -3.485 1.00 0.00 C ATOM 179 CG2 VAL A 52 3.876 3.952 -4.611 1.00 0.00 C ATOM 0 H VAL A 52 1.164 5.636 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 52 2.180 2.920 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 52 2.006 4.600 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.717 2.619 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.107 2.396 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.529 1.617 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.399 4.046 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.280 3.105 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.013 4.864 -5.192 1.00 0.00 H new ATOM 189 N ALA A 53 -0.181 2.091 -6.264 1.00 0.00 N ATOM 190 CA ALA A 53 -1.484 1.456 -6.111 1.00 0.00 C ATOM 191 C ALA A 53 -1.396 0.231 -5.207 1.00 0.00 C ATOM 192 O ALA A 53 -0.439 -0.540 -5.283 1.00 0.00 O ATOM 193 CB ALA A 53 -2.047 1.071 -7.471 1.00 0.00 C ATOM 0 H ALA A 53 0.355 1.765 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.157 2.174 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.020 0.598 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.157 1.965 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.368 0.374 -7.962 1.00 0.00 H new ATOM 199 N ILE A 54 -2.398 0.059 -4.351 1.00 0.00 N ATOM 200 CA ILE A 54 -2.432 -1.072 -3.433 1.00 0.00 C ATOM 201 C ILE A 54 -3.729 -1.862 -3.582 1.00 0.00 C ATOM 202 O ILE A 54 -4.787 -1.292 -3.851 1.00 0.00 O ATOM 203 CB ILE A 54 -2.288 -0.614 -1.970 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.276 0.513 -1.666 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.861 -0.165 -1.694 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.455 0.777 -0.187 1.00 0.00 C ATOM 0 H ILE A 54 -3.197 0.689 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.588 -1.712 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.516 -1.456 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.933 1.427 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.244 0.265 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.775 0.156 -0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.177 -0.994 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.607 0.666 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.169 1.588 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.828 -0.124 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.497 1.057 0.251 1.00 0.00 H new ATOM 218 N TYR A 55 -3.639 -3.175 -3.404 1.00 0.00 N ATOM 219 CA TYR A 55 -4.804 -4.043 -3.519 1.00 0.00 C ATOM 220 C TYR A 55 -4.982 -4.886 -2.260 1.00 0.00 C ATOM 221 O TYR A 55 -4.235 -5.836 -2.024 1.00 0.00 O ATOM 222 CB TYR A 55 -4.670 -4.954 -4.741 1.00 0.00 C ATOM 223 CG TYR A 55 -5.715 -6.045 -4.801 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.068 -5.735 -4.862 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.350 -7.385 -4.795 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.027 -6.728 -4.917 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.301 -8.385 -4.851 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.638 -8.051 -4.911 1.00 0.00 C ATOM 229 OH TYR A 55 -8.589 -9.044 -4.965 1.00 0.00 O ATOM 0 H TYR A 55 -2.771 -3.661 -3.179 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.684 -3.412 -3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.737 -4.348 -5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.680 -5.411 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.375 -4.700 -4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.304 -7.650 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.075 -6.470 -4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.000 -9.422 -4.848 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.149 -9.919 -4.954 1.00 0.00 H new ATOM 239 N VAL A 56 -5.977 -4.531 -1.453 1.00 0.00 N ATOM 240 CA VAL A 56 -6.256 -5.255 -0.219 1.00 0.00 C ATOM 241 C VAL A 56 -7.054 -6.524 -0.494 1.00 0.00 C ATOM 242 O VAL A 56 -8.193 -6.466 -0.955 1.00 0.00 O ATOM 243 CB VAL A 56 -7.034 -4.379 0.782 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.254 -5.127 2.088 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.300 -3.069 1.025 1.00 0.00 C ATOM 0 H VAL A 56 -6.603 -3.746 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.293 -5.523 0.215 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.010 -4.148 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.805 -4.493 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.825 -6.035 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.290 -5.390 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.863 -2.462 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.310 -3.277 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.200 -2.528 0.084 1.00 0.00 H new ATOM 255 N ASN A 57 -6.448 -7.672 -0.206 1.00 0.00 N ATOM 256 CA ASN A 57 -7.102 -8.957 -0.423 1.00 0.00 C ATOM 257 C ASN A 57 -7.400 -9.646 0.905 1.00 0.00 C ATOM 258 O ASN A 57 -6.488 -10.022 1.640 1.00 0.00 O ATOM 259 CB ASN A 57 -6.225 -9.859 -1.293 1.00 0.00 C ATOM 260 CG ASN A 57 -6.997 -11.027 -1.876 1.00 0.00 C ATOM 261 OD1 ASN A 57 -8.019 -11.445 -1.331 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.510 -11.561 -2.991 1.00 0.00 N ATOM 0 H ASN A 57 -5.505 -7.738 0.178 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.045 -8.774 -0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.795 -9.271 -2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.394 -10.237 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.986 -12.349 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.660 -11.183 -3.409 1.00 0.00 H new ATOM 269 N GLY A 58 -8.685 -9.809 1.206 1.00 0.00 N ATOM 270 CA GLY A 58 -9.081 -10.453 2.445 1.00 0.00 C ATOM 271 C GLY A 58 -9.204 -9.473 3.594 1.00 0.00 C ATOM 272 O GLY A 58 -9.610 -8.327 3.401 1.00 0.00 O ATOM 0 H GLY A 58 -9.459 -9.507 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.036 -10.959 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.350 -11.220 2.702 1.00 0.00 H new ATOM 276 N TYR A 59 -8.855 -9.924 4.794 1.00 0.00 N ATOM 277 CA TYR A 59 -8.932 -9.080 5.980 1.00 0.00 C ATOM 278 C TYR A 59 -7.550 -8.573 6.380 1.00 0.00 C ATOM 279 O TYR A 59 -6.604 -9.351 6.511 1.00 0.00 O ATOM 280 CB TYR A 59 -9.560 -9.852 7.142 1.00 0.00 C ATOM 281 CG TYR A 59 -9.240 -9.270 8.500 1.00 0.00 C ATOM 282 CD1 TYR A 59 -8.020 -9.524 9.116 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.155 -8.466 9.167 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.723 -8.995 10.357 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.866 -7.931 10.407 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.649 -8.199 10.998 1.00 0.00 C ATOM 287 OH TYR A 59 -8.358 -7.669 12.235 1.00 0.00 O ATOM 0 H TYR A 59 -8.516 -10.870 4.971 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.559 -8.221 5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.642 -9.872 7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.215 -10.886 7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.292 -10.145 8.616 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.110 -8.255 8.708 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.771 -9.204 10.823 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.589 -7.306 10.911 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.116 -7.132 12.547 1.00 0.00 H new ATOM 297 N THR A 60 -7.440 -7.263 6.573 1.00 0.00 N ATOM 298 CA THR A 60 -6.174 -6.650 6.957 1.00 0.00 C ATOM 299 C THR A 60 -6.389 -5.536 7.974 1.00 0.00 C ATOM 300 O THR A 60 -7.525 -5.172 8.280 1.00 0.00 O ATOM 301 CB THR A 60 -5.433 -6.078 5.734 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.311 -5.236 4.979 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.908 -7.197 4.846 1.00 0.00 C ATOM 0 H THR A 60 -8.213 -6.605 6.470 1.00 0.00 H new ATOM 0 HA THR A 60 -5.566 -7.435 7.406 1.00 0.00 H new ATOM 0 HB THR A 60 -4.586 -5.492 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.790 -4.534 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.389 -6.768 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.217 -7.819 5.415 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.742 -7.806 4.497 1.00 0.00 H new ATOM 311 N ASP A 61 -5.292 -4.997 8.494 1.00 0.00 N ATOM 312 CA ASP A 61 -5.361 -3.921 9.477 1.00 0.00 C ATOM 313 C ASP A 61 -4.273 -2.882 9.222 1.00 0.00 C ATOM 314 O ASP A 61 -3.080 -3.185 9.214 1.00 0.00 O ATOM 315 CB ASP A 61 -5.223 -4.484 10.892 1.00 0.00 C ATOM 316 CG ASP A 61 -4.598 -3.492 11.852 1.00 0.00 C ATOM 317 OD1 ASP A 61 -3.352 -3.404 11.888 1.00 0.00 O ATOM 318 OD2 ASP A 61 -5.354 -2.802 12.567 1.00 0.00 O ATOM 0 H ASP A 61 -4.345 -5.287 8.252 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.332 -3.436 9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.207 -4.773 11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.615 -5.388 10.862 1.00 0.00 H new ATOM 323 N PRO A 62 -4.693 -1.626 9.007 1.00 0.00 N ATOM 324 CA PRO A 62 -6.111 -1.253 9.013 1.00 0.00 C ATOM 325 C PRO A 62 -6.863 -1.815 7.811 1.00 0.00 C ATOM 326 O PRO A 62 -6.258 -2.359 6.887 1.00 0.00 O ATOM 327 CB PRO A 62 -6.076 0.276 8.955 1.00 0.00 C ATOM 328 CG PRO A 62 -4.774 0.600 8.306 1.00 0.00 C ATOM 329 CD PRO A 62 -3.816 -0.474 8.740 1.00 0.00 C ATOM 0 HA PRO A 62 -6.633 -1.648 9.885 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.914 0.670 8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.141 0.712 9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.873 0.619 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.420 1.585 8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.084 -0.697 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.258 -0.179 9.629 1.00 0.00 H new ATOM 337 N SER A 63 -8.185 -1.680 7.830 1.00 0.00 N ATOM 338 CA SER A 63 -9.020 -2.177 6.744 1.00 0.00 C ATOM 339 C SER A 63 -8.646 -1.511 5.423 1.00 0.00 C ATOM 340 O SER A 63 -7.784 -0.633 5.380 1.00 0.00 O ATOM 341 CB SER A 63 -10.498 -1.927 7.052 1.00 0.00 C ATOM 342 OG SER A 63 -11.023 -2.945 7.887 1.00 0.00 O ATOM 0 H SER A 63 -8.701 -1.230 8.586 1.00 0.00 H new ATOM 0 HA SER A 63 -8.852 -3.250 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.613 -0.958 7.538 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.065 -1.886 6.122 1.00 0.00 H new ATOM 0 HG SER A 63 -11.968 -2.762 8.071 1.00 0.00 H new ATOM 348 N ALA A 64 -9.301 -1.936 4.347 1.00 0.00 N ATOM 349 CA ALA A 64 -9.039 -1.381 3.025 1.00 0.00 C ATOM 350 C ALA A 64 -9.488 0.074 2.942 1.00 0.00 C ATOM 351 O ALA A 64 -8.765 0.928 2.430 1.00 0.00 O ATOM 352 CB ALA A 64 -9.734 -2.211 1.956 1.00 0.00 C ATOM 0 H ALA A 64 -10.017 -2.663 4.365 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.963 -1.413 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.529 -1.785 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.362 -3.235 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.809 -2.209 2.136 1.00 0.00 H new ATOM 358 N GLU A 65 -10.687 0.349 3.447 1.00 0.00 N ATOM 359 CA GLU A 65 -11.232 1.701 3.428 1.00 0.00 C ATOM 360 C GLU A 65 -10.233 2.699 4.007 1.00 0.00 C ATOM 361 O GLU A 65 -9.986 3.754 3.425 1.00 0.00 O ATOM 362 CB GLU A 65 -12.542 1.758 4.217 1.00 0.00 C ATOM 363 CG GLU A 65 -13.083 3.167 4.397 1.00 0.00 C ATOM 364 CD GLU A 65 -13.735 3.706 3.138 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.280 2.896 2.360 1.00 0.00 O ATOM 366 OE2 GLU A 65 -13.700 4.937 2.932 1.00 0.00 O ATOM 0 H GLU A 65 -11.299 -0.347 3.874 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.429 1.971 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.291 1.153 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.385 1.310 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.810 3.172 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.270 3.830 4.693 1.00 0.00 H new ATOM 373 N GLU A 66 -9.662 2.356 5.157 1.00 0.00 N ATOM 374 CA GLU A 66 -8.691 3.222 5.816 1.00 0.00 C ATOM 375 C GLU A 66 -7.535 3.556 4.877 1.00 0.00 C ATOM 376 O GLU A 66 -7.191 4.724 4.689 1.00 0.00 O ATOM 377 CB GLU A 66 -8.155 2.553 7.083 1.00 0.00 C ATOM 378 CG GLU A 66 -9.201 2.386 8.173 1.00 0.00 C ATOM 379 CD GLU A 66 -8.590 2.090 9.528 1.00 0.00 C ATOM 380 OE1 GLU A 66 -7.505 2.636 9.821 1.00 0.00 O ATOM 381 OE2 GLU A 66 -9.195 1.314 10.296 1.00 0.00 O ATOM 0 H GLU A 66 -9.855 1.485 5.652 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.195 4.149 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.753 1.574 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.327 3.145 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.799 3.295 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.879 1.577 7.900 1.00 0.00 H new ATOM 388 N LEU A 67 -6.940 2.524 4.290 1.00 0.00 N ATOM 389 CA LEU A 67 -5.822 2.707 3.371 1.00 0.00 C ATOM 390 C LEU A 67 -6.267 3.447 2.113 1.00 0.00 C ATOM 391 O LEU A 67 -5.496 4.200 1.519 1.00 0.00 O ATOM 392 CB LEU A 67 -5.220 1.352 2.993 1.00 0.00 C ATOM 393 CG LEU A 67 -4.821 0.447 4.158 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.484 -0.950 3.659 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.643 1.042 4.917 1.00 0.00 C ATOM 0 H LEU A 67 -7.213 1.552 4.434 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.064 3.307 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.940 0.817 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.338 1.528 2.377 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.668 0.372 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.202 -1.580 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.354 -1.378 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.654 -0.894 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.373 0.384 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.792 1.147 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.919 2.021 5.308 1.00 0.00 H new ATOM 407 N ARG A 68 -7.516 3.228 1.715 1.00 0.00 N ATOM 408 CA ARG A 68 -8.064 3.875 0.529 1.00 0.00 C ATOM 409 C ARG A 68 -7.773 5.373 0.543 1.00 0.00 C ATOM 410 O ARG A 68 -7.284 5.931 -0.440 1.00 0.00 O ATOM 411 CB ARG A 68 -9.573 3.638 0.444 1.00 0.00 C ATOM 412 CG ARG A 68 -10.175 4.022 -0.898 1.00 0.00 C ATOM 413 CD ARG A 68 -11.425 3.210 -1.200 1.00 0.00 C ATOM 414 NE ARG A 68 -12.582 3.688 -0.448 1.00 0.00 N ATOM 415 CZ ARG A 68 -13.187 4.846 -0.687 1.00 0.00 C ATOM 416 NH1 ARG A 68 -12.747 5.640 -1.653 1.00 0.00 N ATOM 417 NH2 ARG A 68 -14.235 5.211 0.040 1.00 0.00 N ATOM 0 H ARG A 68 -8.167 2.608 2.196 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.585 3.438 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.778 2.585 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.067 4.208 1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.421 5.084 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.439 3.866 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.641 3.259 -2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.244 2.162 -0.960 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.946 3.100 0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.942 5.362 -2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.213 6.529 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.577 4.602 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.699 6.101 -0.144 1.00 0.00 H new ATOM 431 N LYS A 69 -8.077 6.019 1.664 1.00 0.00 N ATOM 432 CA LYS A 69 -7.848 7.451 1.808 1.00 0.00 C ATOM 433 C LYS A 69 -6.364 7.749 2.000 1.00 0.00 C ATOM 434 O LYS A 69 -5.782 8.552 1.270 1.00 0.00 O ATOM 435 CB LYS A 69 -8.646 8.000 2.992 1.00 0.00 C ATOM 436 CG LYS A 69 -10.124 8.186 2.696 1.00 0.00 C ATOM 437 CD LYS A 69 -10.920 6.932 3.017 1.00 0.00 C ATOM 438 CE LYS A 69 -11.144 6.783 4.514 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.227 7.679 5.006 1.00 0.00 N ATOM 0 H LYS A 69 -8.483 5.572 2.486 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.183 7.940 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.536 7.322 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.221 8.958 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.510 9.022 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.256 8.442 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.882 6.969 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.392 6.057 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.398 5.748 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.218 7.008 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.371 7.523 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.958 8.670 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.109 7.471 4.495 1.00 0.00 H new ATOM 453 N LEU A 70 -5.757 7.095 2.985 1.00 0.00 N ATOM 454 CA LEU A 70 -4.340 7.289 3.272 1.00 0.00 C ATOM 455 C LEU A 70 -3.539 7.437 1.983 1.00 0.00 C ATOM 456 O LEU A 70 -2.639 8.272 1.892 1.00 0.00 O ATOM 457 CB LEU A 70 -3.801 6.114 4.090 1.00 0.00 C ATOM 458 CG LEU A 70 -4.358 5.970 5.507 1.00 0.00 C ATOM 459 CD1 LEU A 70 -4.196 4.541 6.001 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.671 6.945 6.451 1.00 0.00 C ATOM 0 H LEU A 70 -6.224 6.426 3.598 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.233 8.206 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.007 5.193 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.717 6.210 4.155 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.422 6.206 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.598 4.457 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.735 3.864 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.139 4.276 6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.080 6.829 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.600 6.741 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.840 7.965 6.106 1.00 0.00 H new ATOM 472 N MET A 71 -3.872 6.621 0.988 1.00 0.00 N ATOM 473 CA MET A 71 -3.186 6.664 -0.298 1.00 0.00 C ATOM 474 C MET A 71 -3.371 8.022 -0.968 1.00 0.00 C ATOM 475 O MET A 71 -2.429 8.807 -1.073 1.00 0.00 O ATOM 476 CB MET A 71 -3.704 5.554 -1.214 1.00 0.00 C ATOM 477 CG MET A 71 -3.398 4.155 -0.707 1.00 0.00 C ATOM 478 SD MET A 71 -1.689 3.664 -1.008 1.00 0.00 S ATOM 479 CE MET A 71 -0.982 3.883 0.623 1.00 0.00 C ATOM 0 H MET A 71 -4.613 5.922 1.048 1.00 0.00 H new ATOM 0 HA MET A 71 -2.122 6.510 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.783 5.662 -1.328 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.265 5.677 -2.204 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.602 4.108 0.363 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.067 3.443 -1.191 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.002 3.408 0.661 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.878 4.947 0.835 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.635 3.427 1.367 1.00 0.00 H new ATOM 489 N MET A 72 -4.591 8.291 -1.421 1.00 0.00 N ATOM 490 CA MET A 72 -4.899 9.555 -2.081 1.00 0.00 C ATOM 491 C MET A 72 -4.271 10.726 -1.333 1.00 0.00 C ATOM 492 O MET A 72 -3.712 11.638 -1.944 1.00 0.00 O ATOM 493 CB MET A 72 -6.414 9.749 -2.176 1.00 0.00 C ATOM 494 CG MET A 72 -7.138 8.575 -2.815 1.00 0.00 C ATOM 495 SD MET A 72 -8.874 8.930 -3.152 1.00 0.00 S ATOM 496 CE MET A 72 -9.226 7.721 -4.425 1.00 0.00 C ATOM 0 H MET A 72 -5.382 7.652 -1.343 1.00 0.00 H new ATOM 0 HA MET A 72 -4.480 9.523 -3.087 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.815 9.911 -1.175 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.621 10.651 -2.753 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.638 8.308 -3.746 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.069 7.709 -2.157 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.266 7.815 -4.738 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.572 7.892 -5.280 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.055 6.719 -4.032 1.00 0.00 H new ATOM 506 N LEU A 73 -4.366 10.696 -0.008 1.00 0.00 N ATOM 507 CA LEU A 73 -3.806 11.755 0.823 1.00 0.00 C ATOM 508 C LEU A 73 -2.294 11.845 0.646 1.00 0.00 C ATOM 509 O LEU A 73 -1.731 12.938 0.569 1.00 0.00 O ATOM 510 CB LEU A 73 -4.145 11.509 2.295 1.00 0.00 C ATOM 511 CG LEU A 73 -5.597 11.766 2.701 1.00 0.00 C ATOM 512 CD1 LEU A 73 -5.998 10.855 3.851 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.794 13.226 3.081 1.00 0.00 C ATOM 0 H LEU A 73 -4.826 9.950 0.513 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.247 12.701 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.899 10.475 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.500 12.141 2.906 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.238 11.544 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.034 11.052 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.896 9.814 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.352 11.045 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.833 13.391 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.143 13.475 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.547 13.860 2.229 1.00 0.00 H new ATOM 525 N HIS A 74 -1.641 10.689 0.581 1.00 0.00 N ATOM 526 CA HIS A 74 -0.193 10.637 0.410 1.00 0.00 C ATOM 527 C HIS A 74 0.176 10.547 -1.067 1.00 0.00 C ATOM 528 O HIS A 74 1.267 10.099 -1.418 1.00 0.00 O ATOM 529 CB HIS A 74 0.388 9.443 1.168 1.00 0.00 C ATOM 530 CG HIS A 74 0.545 9.685 2.637 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.699 10.191 3.198 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.316 9.488 3.663 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.541 10.293 4.506 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.327 9.874 4.814 1.00 0.00 N ATOM 0 H HIS A 74 -2.091 9.776 0.644 1.00 0.00 H new ATOM 0 HA HIS A 74 0.230 11.556 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.258 8.578 1.018 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.360 9.192 0.744 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.542 10.446 2.684 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.321 9.100 3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.280 10.657 5.205 1.00 0.00 H new ATOM 542 N GLY A 75 -0.741 10.974 -1.929 1.00 0.00 N ATOM 543 CA GLY A 75 -0.493 10.932 -3.359 1.00 0.00 C ATOM 544 C GLY A 75 -0.338 9.516 -3.878 1.00 0.00 C ATOM 545 O GLY A 75 0.623 9.208 -4.582 1.00 0.00 O ATOM 0 H GLY A 75 -1.652 11.349 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.316 11.420 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.410 11.500 -3.585 1.00 0.00 H new ATOM 549 N GLY A 76 -1.286 8.652 -3.529 1.00 0.00 N ATOM 550 CA GLY A 76 -1.230 7.271 -3.973 1.00 0.00 C ATOM 551 C GLY A 76 -2.433 6.882 -4.810 1.00 0.00 C ATOM 552 O GLY A 76 -3.133 7.744 -5.339 1.00 0.00 O ATOM 0 H GLY A 76 -2.091 8.883 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.321 7.116 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.168 6.615 -3.104 1.00 0.00 H new ATOM 556 N GLN A 77 -2.671 5.580 -4.931 1.00 0.00 N ATOM 557 CA GLN A 77 -3.796 5.079 -5.712 1.00 0.00 C ATOM 558 C GLN A 77 -4.406 3.844 -5.058 1.00 0.00 C ATOM 559 O GLN A 77 -3.792 3.220 -4.192 1.00 0.00 O ATOM 560 CB GLN A 77 -3.348 4.748 -7.137 1.00 0.00 C ATOM 561 CG GLN A 77 -2.876 5.959 -7.924 1.00 0.00 C ATOM 562 CD GLN A 77 -2.642 5.649 -9.389 1.00 0.00 C ATOM 563 OE1 GLN A 77 -1.501 5.597 -9.850 1.00 0.00 O ATOM 564 NE2 GLN A 77 -3.723 5.439 -10.130 1.00 0.00 N ATOM 0 H GLN A 77 -2.100 4.853 -4.499 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.556 5.860 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.541 4.016 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.176 4.279 -7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.617 6.754 -7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.952 6.336 -7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.650 5.492 -9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.627 5.225 -11.123 1.00 0.00 H new ATOM 573 N TYR A 78 -5.618 3.497 -5.477 1.00 0.00 N ATOM 574 CA TYR A 78 -6.313 2.338 -4.929 1.00 0.00 C ATOM 575 C TYR A 78 -7.044 1.572 -6.027 1.00 0.00 C ATOM 576 O TYR A 78 -7.520 2.160 -6.999 1.00 0.00 O ATOM 577 CB TYR A 78 -7.304 2.775 -3.849 1.00 0.00 C ATOM 578 CG TYR A 78 -7.981 1.620 -3.146 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.145 1.057 -3.654 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.455 1.091 -1.974 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.767 0.002 -3.014 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.069 0.035 -1.328 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.225 -0.505 -1.851 1.00 0.00 C ATOM 584 OH TYR A 78 -9.840 -1.557 -1.212 1.00 0.00 O ATOM 0 H TYR A 78 -6.139 4.001 -6.194 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.569 1.677 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.780 3.382 -3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.065 3.410 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.571 1.451 -4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.551 1.512 -1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.672 -0.423 -3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.646 -0.365 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.179 -2.255 -1.021 1.00 0.00 H new ATOM 594 N HIS A 79 -7.130 0.256 -5.866 1.00 0.00 N ATOM 595 CA HIS A 79 -7.804 -0.592 -6.842 1.00 0.00 C ATOM 596 C HIS A 79 -8.759 -1.561 -6.152 1.00 0.00 C ATOM 597 O HIS A 79 -8.401 -2.208 -5.167 1.00 0.00 O ATOM 598 CB HIS A 79 -6.779 -1.370 -7.668 1.00 0.00 C ATOM 599 CG HIS A 79 -5.910 -0.497 -8.520 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.592 -0.790 -8.798 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.178 0.666 -9.157 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.086 0.156 -9.569 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.028 1.052 -9.802 1.00 0.00 N ATOM 0 H HIS A 79 -6.741 -0.247 -5.068 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.382 0.050 -7.506 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.148 -1.951 -6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.303 -2.081 -8.307 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -4.086 -1.609 -8.461 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.121 1.193 -9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.074 0.191 -9.945 1.00 0.00 H new ATOM 611 N VAL A 80 -9.978 -1.657 -6.675 1.00 0.00 N ATOM 612 CA VAL A 80 -10.985 -2.547 -6.110 1.00 0.00 C ATOM 613 C VAL A 80 -10.681 -4.003 -6.444 1.00 0.00 C ATOM 614 O VAL A 80 -10.812 -4.886 -5.595 1.00 0.00 O ATOM 615 CB VAL A 80 -12.394 -2.198 -6.623 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.418 -3.186 -6.087 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.764 -0.773 -6.237 1.00 0.00 C ATOM 0 H VAL A 80 -10.292 -1.129 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.956 -2.411 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.392 -2.267 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.408 -2.923 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.161 -4.192 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.421 -3.152 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.763 -0.543 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.748 -0.674 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.046 -0.079 -6.675 1.00 0.00 H new ATOM 627 N TYR A 81 -10.274 -4.247 -7.684 1.00 0.00 N ATOM 628 CA TYR A 81 -9.952 -5.597 -8.131 1.00 0.00 C ATOM 629 C TYR A 81 -8.443 -5.795 -8.226 1.00 0.00 C ATOM 630 O TYR A 81 -7.669 -4.856 -8.037 1.00 0.00 O ATOM 631 CB TYR A 81 -10.600 -5.875 -9.489 1.00 0.00 C ATOM 632 CG TYR A 81 -12.090 -6.120 -9.410 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.989 -5.061 -9.401 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.599 -7.411 -9.345 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.351 -5.280 -9.328 1.00 0.00 C ATOM 636 CE2 TYR A 81 -13.960 -7.640 -9.273 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.831 -6.571 -9.265 1.00 0.00 C ATOM 638 OH TYR A 81 -16.188 -6.794 -9.193 1.00 0.00 O ATOM 0 H TYR A 81 -10.159 -3.528 -8.398 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.346 -6.299 -7.396 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.414 -5.029 -10.151 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.121 -6.744 -9.940 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.617 -4.049 -9.452 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.919 -8.250 -9.351 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -15.036 -4.445 -9.320 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.339 -8.650 -9.223 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.360 -7.758 -9.156 1.00 0.00 H new ATOM 648 N TYR A 82 -8.031 -7.023 -8.520 1.00 0.00 N ATOM 649 CA TYR A 82 -6.614 -7.346 -8.638 1.00 0.00 C ATOM 650 C TYR A 82 -6.091 -7.001 -10.029 1.00 0.00 C ATOM 651 O TYR A 82 -6.718 -7.322 -11.038 1.00 0.00 O ATOM 652 CB TYR A 82 -6.382 -8.830 -8.348 1.00 0.00 C ATOM 653 CG TYR A 82 -5.003 -9.315 -8.736 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.878 -8.536 -8.493 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.825 -10.550 -9.346 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.617 -8.974 -8.846 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.568 -10.997 -9.701 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.466 -10.205 -9.450 1.00 0.00 C ATOM 659 OH TYR A 82 -1.212 -10.646 -9.803 1.00 0.00 O ATOM 0 H TYR A 82 -8.658 -7.811 -8.681 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.069 -6.750 -7.906 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.536 -9.012 -7.284 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.128 -9.417 -8.883 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.992 -7.572 -8.020 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.685 -11.172 -9.546 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.753 -8.356 -8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.448 -11.961 -10.173 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.281 -11.532 -10.216 1.00 0.00 H new ATOM 669 N SER A 83 -4.936 -6.345 -10.074 1.00 0.00 N ATOM 670 CA SER A 83 -4.328 -5.952 -11.339 1.00 0.00 C ATOM 671 C SER A 83 -2.866 -6.386 -11.398 1.00 0.00 C ATOM 672 O SER A 83 -2.138 -6.289 -10.410 1.00 0.00 O ATOM 673 CB SER A 83 -4.430 -4.437 -11.530 1.00 0.00 C ATOM 674 OG SER A 83 -5.642 -4.085 -12.173 1.00 0.00 O ATOM 0 H SER A 83 -4.402 -6.074 -9.248 1.00 0.00 H new ATOM 0 HA SER A 83 -4.869 -6.450 -12.143 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.371 -3.940 -10.562 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.585 -4.084 -12.121 1.00 0.00 H new ATOM 0 HG SER A 83 -5.840 -3.140 -12.003 1.00 0.00 H new ATOM 680 N ARG A 84 -2.445 -6.866 -12.564 1.00 0.00 N ATOM 681 CA ARG A 84 -1.071 -7.317 -12.752 1.00 0.00 C ATOM 682 C ARG A 84 -0.198 -6.188 -13.292 1.00 0.00 C ATOM 683 O ARG A 84 1.014 -6.170 -13.078 1.00 0.00 O ATOM 684 CB ARG A 84 -1.030 -8.510 -13.709 1.00 0.00 C ATOM 685 CG ARG A 84 -1.459 -9.820 -13.068 1.00 0.00 C ATOM 686 CD ARG A 84 -2.021 -10.786 -14.098 1.00 0.00 C ATOM 687 NE ARG A 84 -2.891 -11.789 -13.490 1.00 0.00 N ATOM 688 CZ ARG A 84 -2.441 -12.853 -12.835 1.00 0.00 C ATOM 689 NH1 ARG A 84 -1.137 -13.052 -12.704 1.00 0.00 N ATOM 690 NH2 ARG A 84 -3.296 -13.721 -12.309 1.00 0.00 N ATOM 0 H ARG A 84 -3.035 -6.953 -13.392 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.680 -7.624 -11.782 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.677 -8.303 -14.562 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.017 -8.619 -14.097 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.606 -10.277 -12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.211 -9.623 -12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.580 -10.229 -14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.200 -11.283 -14.614 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.900 -11.666 -13.573 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.477 -12.387 -13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.794 -13.870 -12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.300 -13.571 -12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.949 -14.538 -11.806 1.00 0.00 H new ATOM 704 N SER A 85 -0.822 -5.247 -13.994 1.00 0.00 N ATOM 705 CA SER A 85 -0.101 -4.117 -14.568 1.00 0.00 C ATOM 706 C SER A 85 -0.306 -2.859 -13.730 1.00 0.00 C ATOM 707 O SER A 85 0.655 -2.200 -13.332 1.00 0.00 O ATOM 708 CB SER A 85 -0.564 -3.867 -16.005 1.00 0.00 C ATOM 709 OG SER A 85 0.123 -2.768 -16.578 1.00 0.00 O ATOM 0 H SER A 85 -1.825 -5.245 -14.179 1.00 0.00 H new ATOM 0 HA SER A 85 0.962 -4.360 -14.573 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.393 -4.760 -16.606 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.637 -3.675 -16.017 1.00 0.00 H new ATOM 0 HG SER A 85 -0.190 -2.630 -17.496 1.00 0.00 H new ATOM 715 N LYS A 86 -1.566 -2.532 -13.464 1.00 0.00 N ATOM 716 CA LYS A 86 -1.900 -1.354 -12.672 1.00 0.00 C ATOM 717 C LYS A 86 -1.373 -1.490 -11.247 1.00 0.00 C ATOM 718 O LYS A 86 -0.402 -0.834 -10.868 1.00 0.00 O ATOM 719 CB LYS A 86 -3.416 -1.143 -12.649 1.00 0.00 C ATOM 720 CG LYS A 86 -3.956 -0.469 -13.898 1.00 0.00 C ATOM 721 CD LYS A 86 -5.272 0.238 -13.626 1.00 0.00 C ATOM 722 CE LYS A 86 -6.057 0.468 -14.908 1.00 0.00 C ATOM 723 NZ LYS A 86 -6.998 1.615 -14.785 1.00 0.00 N ATOM 0 H LYS A 86 -2.373 -3.066 -13.785 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.426 -0.489 -13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.907 -2.109 -12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.677 -0.540 -11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.226 0.250 -14.269 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.097 -1.213 -14.682 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.869 -0.356 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.079 1.194 -13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.365 0.653 -15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.615 -0.434 -15.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.514 1.738 -15.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.675 1.428 -14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.464 2.481 -14.571 1.00 0.00 H new ATOM 737 N THR A 87 -2.019 -2.346 -10.461 1.00 0.00 N ATOM 738 CA THR A 87 -1.615 -2.567 -9.078 1.00 0.00 C ATOM 739 C THR A 87 -0.142 -2.948 -8.990 1.00 0.00 C ATOM 740 O THR A 87 0.295 -3.928 -9.593 1.00 0.00 O ATOM 741 CB THR A 87 -2.460 -3.673 -8.416 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.821 -3.245 -8.298 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.911 -4.023 -7.041 1.00 0.00 C ATOM 0 H THR A 87 -2.824 -2.897 -10.759 1.00 0.00 H new ATOM 0 HA THR A 87 -1.777 -1.629 -8.547 1.00 0.00 H new ATOM 0 HB THR A 87 -2.413 -4.562 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.352 -3.954 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.523 -4.806 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.885 -4.376 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.931 -3.138 -6.405 1.00 0.00 H new ATOM 751 N THR A 88 0.622 -2.166 -8.233 1.00 0.00 N ATOM 752 CA THR A 88 2.048 -2.421 -8.066 1.00 0.00 C ATOM 753 C THR A 88 2.298 -3.443 -6.963 1.00 0.00 C ATOM 754 O THR A 88 2.971 -4.451 -7.179 1.00 0.00 O ATOM 755 CB THR A 88 2.814 -1.127 -7.734 1.00 0.00 C ATOM 756 OG1 THR A 88 2.348 -0.585 -6.494 1.00 0.00 O ATOM 757 CG2 THR A 88 2.641 -0.097 -8.840 1.00 0.00 C ATOM 0 H THR A 88 0.277 -1.351 -7.726 1.00 0.00 H new ATOM 0 HA THR A 88 2.412 -2.817 -9.014 1.00 0.00 H new ATOM 0 HB THR A 88 3.873 -1.371 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.919 -0.902 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.191 0.808 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.025 -0.501 -9.777 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.583 0.141 -8.954 1.00 0.00 H new ATOM 765 N HIS A 89 1.751 -3.177 -5.781 1.00 0.00 N ATOM 766 CA HIS A 89 1.915 -4.076 -4.644 1.00 0.00 C ATOM 767 C HIS A 89 0.567 -4.629 -4.191 1.00 0.00 C ATOM 768 O HIS A 89 -0.484 -4.095 -4.545 1.00 0.00 O ATOM 769 CB HIS A 89 2.596 -3.347 -3.485 1.00 0.00 C ATOM 770 CG HIS A 89 3.859 -2.645 -3.878 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.884 -1.348 -4.345 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.145 -3.066 -3.871 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.132 -1.002 -4.610 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.917 -2.026 -4.330 1.00 0.00 N ATOM 0 H HIS A 89 1.191 -2.347 -5.586 1.00 0.00 H new ATOM 0 HA HIS A 89 2.543 -4.910 -4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.901 -2.619 -3.066 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.820 -4.065 -2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.499 -4.039 -3.562 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.455 -0.044 -4.991 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.931 -2.042 -4.437 1.00 0.00 H new ATOM 782 N ILE A 90 0.607 -5.701 -3.406 1.00 0.00 N ATOM 783 CA ILE A 90 -0.611 -6.325 -2.905 1.00 0.00 C ATOM 784 C ILE A 90 -0.627 -6.355 -1.381 1.00 0.00 C ATOM 785 O ILE A 90 0.133 -7.096 -0.756 1.00 0.00 O ATOM 786 CB ILE A 90 -0.767 -7.762 -3.437 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.869 -7.756 -4.963 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.990 -8.425 -2.821 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.878 -9.140 -5.574 1.00 0.00 C ATOM 0 H ILE A 90 1.469 -6.155 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.445 -5.721 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 90 0.115 -8.336 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.779 -7.232 -5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.031 -7.192 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.087 -9.440 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.879 -8.458 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.882 -7.853 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.952 -9.059 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.043 -9.660 -5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.732 -9.700 -5.193 1.00 0.00 H new ATOM 801 N ILE A 91 -1.498 -5.546 -0.787 1.00 0.00 N ATOM 802 CA ILE A 91 -1.615 -5.482 0.664 1.00 0.00 C ATOM 803 C ILE A 91 -2.434 -6.650 1.202 1.00 0.00 C ATOM 804 O ILE A 91 -3.620 -6.780 0.902 1.00 0.00 O ATOM 805 CB ILE A 91 -2.264 -4.162 1.119 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.457 -2.967 0.606 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.376 -4.121 2.636 1.00 0.00 C ATOM 808 CD1 ILE A 91 -0.145 -2.768 1.333 1.00 0.00 C ATOM 0 H ILE A 91 -2.133 -4.926 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.603 -5.537 1.064 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.268 -4.105 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.257 -3.103 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.059 -2.063 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.837 -3.182 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.990 -4.954 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.382 -4.198 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.374 -1.904 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.338 -2.600 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.476 -3.656 1.213 1.00 0.00 H new ATOM 820 N ALA A 92 -1.792 -7.497 2.001 1.00 0.00 N ATOM 821 CA ALA A 92 -2.462 -8.653 2.584 1.00 0.00 C ATOM 822 C ALA A 92 -1.721 -9.150 3.821 1.00 0.00 C ATOM 823 O ALA A 92 -0.498 -9.290 3.811 1.00 0.00 O ATOM 824 CB ALA A 92 -2.583 -9.768 1.556 1.00 0.00 C ATOM 0 H ALA A 92 -0.810 -7.404 2.259 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.462 -8.346 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.085 -10.625 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.162 -9.415 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.589 -10.065 1.222 1.00 0.00 H new ATOM 830 N THR A 93 -2.470 -9.415 4.887 1.00 0.00 N ATOM 831 CA THR A 93 -1.885 -9.895 6.132 1.00 0.00 C ATOM 832 C THR A 93 -1.373 -11.323 5.985 1.00 0.00 C ATOM 833 O THR A 93 -0.191 -11.593 6.195 1.00 0.00 O ATOM 834 CB THR A 93 -2.902 -9.843 7.288 1.00 0.00 C ATOM 835 OG1 THR A 93 -4.220 -10.103 6.792 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.872 -8.486 7.975 1.00 0.00 C ATOM 0 H THR A 93 -3.484 -9.305 4.912 1.00 0.00 H new ATOM 0 HA THR A 93 -1.049 -9.234 6.363 1.00 0.00 H new ATOM 0 HB THR A 93 -2.630 -10.607 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.818 -9.371 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.598 -8.473 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.875 -8.303 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.121 -7.707 7.254 1.00 0.00 H new ATOM 844 N ASN A 94 -2.269 -12.234 5.621 1.00 0.00 N ATOM 845 CA ASN A 94 -1.907 -13.636 5.445 1.00 0.00 C ATOM 846 C ASN A 94 -2.737 -14.277 4.337 1.00 0.00 C ATOM 847 O ASN A 94 -3.915 -13.960 4.166 1.00 0.00 O ATOM 848 CB ASN A 94 -2.104 -14.403 6.754 1.00 0.00 C ATOM 849 CG ASN A 94 -2.460 -15.859 6.523 1.00 0.00 C ATOM 850 OD1 ASN A 94 -3.600 -16.184 6.190 1.00 0.00 O ATOM 851 ND2 ASN A 94 -1.485 -16.742 6.701 1.00 0.00 N ATOM 0 H ASN A 94 -3.252 -12.027 5.442 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.856 -13.681 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.191 -14.345 7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.893 -13.927 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -1.666 -17.736 6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.555 -16.426 6.977 1.00 0.00 H new ATOM 858 N LEU A 95 -2.116 -15.181 3.588 1.00 0.00 N ATOM 859 CA LEU A 95 -2.797 -15.868 2.496 1.00 0.00 C ATOM 860 C LEU A 95 -2.465 -17.357 2.499 1.00 0.00 C ATOM 861 O LEU A 95 -1.357 -17.771 2.844 1.00 0.00 O ATOM 862 CB LEU A 95 -2.404 -15.250 1.154 1.00 0.00 C ATOM 863 CG LEU A 95 -2.415 -13.722 1.090 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.601 -13.231 -0.097 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.843 -13.202 1.011 1.00 0.00 C ATOM 0 H LEU A 95 -1.142 -15.456 3.717 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.871 -15.753 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.404 -15.597 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.081 -15.631 0.389 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.959 -13.336 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.621 -12.142 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.571 -13.573 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.027 -13.626 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.832 -12.113 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.325 -13.597 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.396 -13.523 1.893 1.00 0.00 H new ATOM 877 N PRO A 96 -3.445 -18.183 2.105 1.00 0.00 N ATOM 878 CA PRO A 96 -3.280 -19.639 2.051 1.00 0.00 C ATOM 879 C PRO A 96 -2.332 -20.074 0.938 1.00 0.00 C ATOM 880 O PRO A 96 -2.164 -19.371 -0.058 1.00 0.00 O ATOM 881 CB PRO A 96 -4.697 -20.147 1.774 1.00 0.00 C ATOM 882 CG PRO A 96 -5.380 -19.012 1.092 1.00 0.00 C ATOM 883 CD PRO A 96 -4.790 -17.760 1.680 1.00 0.00 C ATOM 0 HA PRO A 96 -2.843 -20.034 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.683 -21.036 1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.208 -20.419 2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.219 -19.050 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.457 -19.050 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.745 -16.955 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.380 -17.394 2.520 1.00 0.00 H new ATOM 891 N ASN A 97 -1.714 -21.237 1.114 1.00 0.00 N ATOM 892 CA ASN A 97 -0.783 -21.766 0.124 1.00 0.00 C ATOM 893 C ASN A 97 -1.349 -21.625 -1.285 1.00 0.00 C ATOM 894 O ASN A 97 -0.665 -21.160 -2.196 1.00 0.00 O ATOM 895 CB ASN A 97 -0.474 -23.235 0.417 1.00 0.00 C ATOM 896 CG ASN A 97 0.354 -23.412 1.675 1.00 0.00 C ATOM 897 OD1 ASN A 97 0.356 -22.554 2.557 1.00 0.00 O ATOM 898 ND2 ASN A 97 1.065 -24.531 1.763 1.00 0.00 N ATOM 0 H ASN A 97 -1.841 -21.831 1.933 1.00 0.00 H new ATOM 0 HA ASN A 97 0.140 -21.189 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.409 -23.786 0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.060 -23.667 -0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.642 -24.705 2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.034 -25.216 1.008 1.00 0.00 H new ATOM 905 N ALA A 98 -2.603 -22.029 -1.456 1.00 0.00 N ATOM 906 CA ALA A 98 -3.263 -21.945 -2.753 1.00 0.00 C ATOM 907 C ALA A 98 -3.070 -20.568 -3.379 1.00 0.00 C ATOM 908 O ALA A 98 -2.842 -20.448 -4.583 1.00 0.00 O ATOM 909 CB ALA A 98 -4.745 -22.261 -2.614 1.00 0.00 C ATOM 0 H ALA A 98 -3.183 -22.418 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.807 -22.683 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.224 -22.194 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.866 -23.269 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.207 -21.546 -1.933 1.00 0.00 H new ATOM 915 N LYS A 99 -3.165 -19.530 -2.555 1.00 0.00 N ATOM 916 CA LYS A 99 -3.000 -18.160 -3.027 1.00 0.00 C ATOM 917 C LYS A 99 -1.525 -17.827 -3.228 1.00 0.00 C ATOM 918 O LYS A 99 -1.118 -17.401 -4.309 1.00 0.00 O ATOM 919 CB LYS A 99 -3.625 -17.178 -2.033 1.00 0.00 C ATOM 920 CG LYS A 99 -5.137 -17.286 -1.940 1.00 0.00 C ATOM 921 CD LYS A 99 -5.818 -16.607 -3.117 1.00 0.00 C ATOM 922 CE LYS A 99 -5.753 -15.092 -2.999 1.00 0.00 C ATOM 923 NZ LYS A 99 -6.539 -14.591 -1.837 1.00 0.00 N ATOM 0 H LYS A 99 -3.356 -19.611 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.508 -18.069 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.196 -17.350 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.359 -16.162 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.426 -18.336 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.479 -16.832 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.342 -16.922 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.859 -16.925 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.714 -14.780 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.132 -14.640 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.227 -13.882 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.043 -15.384 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.896 -14.156 -1.144 1.00 0.00 H new ATOM 937 N ILE A 100 -0.731 -18.026 -2.182 1.00 0.00 N ATOM 938 CA ILE A 100 0.699 -17.749 -2.246 1.00 0.00 C ATOM 939 C ILE A 100 1.253 -18.034 -3.638 1.00 0.00 C ATOM 940 O ILE A 100 1.723 -17.130 -4.328 1.00 0.00 O ATOM 941 CB ILE A 100 1.481 -18.583 -1.214 1.00 0.00 C ATOM 942 CG1 ILE A 100 1.272 -18.020 0.193 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.961 -18.609 -1.565 1.00 0.00 C ATOM 944 CD1 ILE A 100 1.741 -18.948 1.292 1.00 0.00 C ATOM 0 H ILE A 100 -1.053 -18.378 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 100 0.826 -16.691 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 100 1.105 -19.606 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.803 -17.072 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.213 -17.807 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.500 -19.202 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.093 -19.052 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.352 -17.592 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.562 -18.484 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.193 -19.888 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.807 -19.142 1.174 1.00 0.00 H new ATOM 956 N LYS A 101 1.192 -19.298 -4.045 1.00 0.00 N ATOM 957 CA LYS A 101 1.683 -19.704 -5.356 1.00 0.00 C ATOM 958 C LYS A 101 0.987 -18.921 -6.465 1.00 0.00 C ATOM 959 O LYS A 101 1.637 -18.243 -7.260 1.00 0.00 O ATOM 960 CB LYS A 101 1.466 -21.204 -5.563 1.00 0.00 C ATOM 961 CG LYS A 101 2.672 -22.050 -5.192 1.00 0.00 C ATOM 962 CD LYS A 101 2.687 -22.378 -3.708 1.00 0.00 C ATOM 963 CE LYS A 101 3.893 -23.228 -3.338 1.00 0.00 C ATOM 964 NZ LYS A 101 5.136 -22.413 -3.238 1.00 0.00 N ATOM 0 H LYS A 101 0.807 -20.059 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 101 2.751 -19.488 -5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.611 -21.524 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.213 -21.385 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.661 -22.974 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.586 -21.519 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.701 -21.454 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.772 -22.907 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.708 -23.726 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.030 -24.009 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.935 -23.028 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.327 -21.957 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.015 -21.684 -2.507 1.00 0.00 H new ATOM 978 N GLU A 102 -0.338 -19.019 -6.510 1.00 0.00 N ATOM 979 CA GLU A 102 -1.121 -18.319 -7.522 1.00 0.00 C ATOM 980 C GLU A 102 -0.601 -16.898 -7.726 1.00 0.00 C ATOM 981 O GLU A 102 -0.769 -16.311 -8.795 1.00 0.00 O ATOM 982 CB GLU A 102 -2.597 -18.280 -7.120 1.00 0.00 C ATOM 983 CG GLU A 102 -3.423 -17.297 -7.932 1.00 0.00 C ATOM 984 CD GLU A 102 -4.746 -16.962 -7.271 1.00 0.00 C ATOM 985 OE1 GLU A 102 -4.728 -16.363 -6.176 1.00 0.00 O ATOM 986 OE2 GLU A 102 -5.800 -17.299 -7.850 1.00 0.00 O ATOM 0 H GLU A 102 -0.891 -19.576 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.022 -18.863 -8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.022 -19.278 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.671 -18.018 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.851 -16.380 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.611 -17.716 -8.921 1.00 0.00 H new ATOM 993 N LEU A 103 0.031 -16.352 -6.693 1.00 0.00 N ATOM 994 CA LEU A 103 0.576 -15.000 -6.757 1.00 0.00 C ATOM 995 C LEU A 103 2.096 -15.031 -6.881 1.00 0.00 C ATOM 996 O LEU A 103 2.792 -14.182 -6.326 1.00 0.00 O ATOM 997 CB LEU A 103 0.170 -14.206 -5.514 1.00 0.00 C ATOM 998 CG LEU A 103 -1.329 -14.126 -5.227 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.578 -13.585 -3.828 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.025 -13.261 -6.268 1.00 0.00 C ATOM 0 H LEU A 103 0.179 -16.824 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 103 0.168 -14.512 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.662 -14.649 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.555 -13.191 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.744 -15.132 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.651 -13.536 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.113 -14.244 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.149 -12.587 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.092 -13.215 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.606 -12.255 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.877 -13.693 -7.258 1.00 0.00 H new ATOM 1012 N LYS A 104 2.604 -16.015 -7.615 1.00 0.00 N ATOM 1013 CA LYS A 104 4.041 -16.156 -7.817 1.00 0.00 C ATOM 1014 C LYS A 104 4.608 -14.946 -8.553 1.00 0.00 C ATOM 1015 O LYS A 104 3.996 -14.433 -9.488 1.00 0.00 O ATOM 1016 CB LYS A 104 4.343 -17.433 -8.604 1.00 0.00 C ATOM 1017 CG LYS A 104 5.782 -17.902 -8.473 1.00 0.00 C ATOM 1018 CD LYS A 104 6.688 -17.213 -9.480 1.00 0.00 C ATOM 1019 CE LYS A 104 7.886 -18.079 -9.835 1.00 0.00 C ATOM 1020 NZ LYS A 104 8.906 -17.322 -10.613 1.00 0.00 N ATOM 0 H LYS A 104 2.041 -16.727 -8.080 1.00 0.00 H new ATOM 0 HA LYS A 104 4.516 -16.219 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.678 -18.226 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.120 -17.262 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.140 -17.701 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.828 -18.981 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.122 -16.985 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.033 -16.263 -9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.339 -18.465 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.553 -18.940 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.707 -17.947 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.481 -16.975 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.243 -16.515 -10.051 1.00 0.00 H new ATOM 1034 N GLY A 105 5.784 -14.496 -8.124 1.00 0.00 N ATOM 1035 CA GLY A 105 6.414 -13.351 -8.754 1.00 0.00 C ATOM 1036 C GLY A 105 5.984 -12.037 -8.133 1.00 0.00 C ATOM 1037 O GLY A 105 6.810 -11.158 -7.891 1.00 0.00 O ATOM 0 H GLY A 105 6.311 -14.904 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.497 -13.448 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.169 -13.344 -9.816 1.00 0.00 H new ATOM 1041 N GLU A 106 4.686 -11.903 -7.876 1.00 0.00 N ATOM 1042 CA GLU A 106 4.148 -10.685 -7.282 1.00 0.00 C ATOM 1043 C GLU A 106 4.803 -10.402 -5.932 1.00 0.00 C ATOM 1044 O GLU A 106 5.623 -11.185 -5.451 1.00 0.00 O ATOM 1045 CB GLU A 106 2.632 -10.801 -7.110 1.00 0.00 C ATOM 1046 CG GLU A 106 1.845 -10.350 -8.330 1.00 0.00 C ATOM 1047 CD GLU A 106 2.351 -9.039 -8.898 1.00 0.00 C ATOM 1048 OE1 GLU A 106 2.210 -8.002 -8.217 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.890 -9.050 -10.025 1.00 0.00 O ATOM 0 H GLU A 106 3.989 -12.622 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 106 4.368 -9.856 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.378 -11.837 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.326 -10.206 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.901 -11.120 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.794 -10.244 -8.061 1.00 0.00 H new ATOM 1056 N LYS A 107 4.435 -9.278 -5.327 1.00 0.00 N ATOM 1057 CA LYS A 107 4.985 -8.891 -4.033 1.00 0.00 C ATOM 1058 C LYS A 107 3.877 -8.450 -3.082 1.00 0.00 C ATOM 1059 O LYS A 107 3.255 -7.407 -3.279 1.00 0.00 O ATOM 1060 CB LYS A 107 6.003 -7.761 -4.206 1.00 0.00 C ATOM 1061 CG LYS A 107 5.566 -6.695 -5.196 1.00 0.00 C ATOM 1062 CD LYS A 107 6.758 -5.976 -5.804 1.00 0.00 C ATOM 1063 CE LYS A 107 6.351 -4.650 -6.428 1.00 0.00 C ATOM 1064 NZ LYS A 107 7.227 -4.284 -7.575 1.00 0.00 N ATOM 0 H LYS A 107 3.758 -8.619 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 107 5.485 -9.759 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.183 -7.294 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.951 -8.185 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.974 -7.154 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.922 -5.973 -4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.510 -5.801 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.219 -6.610 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.317 -4.710 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.394 -3.865 -5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.917 -3.374 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.211 -4.201 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.166 -5.020 -8.307 1.00 0.00 H new ATOM 1078 N VAL A 108 3.638 -9.251 -2.048 1.00 0.00 N ATOM 1079 CA VAL A 108 2.607 -8.942 -1.064 1.00 0.00 C ATOM 1080 C VAL A 108 3.207 -8.273 0.168 1.00 0.00 C ATOM 1081 O VAL A 108 3.862 -8.924 0.983 1.00 0.00 O ATOM 1082 CB VAL A 108 1.849 -10.210 -0.629 1.00 0.00 C ATOM 1083 CG1 VAL A 108 0.685 -9.850 0.282 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.365 -10.985 -1.845 1.00 0.00 C ATOM 0 H VAL A 108 4.144 -10.118 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 108 1.908 -8.256 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 108 2.534 -10.848 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.161 -10.758 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.061 -9.341 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.003 -9.192 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.832 -11.878 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.696 -10.357 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.220 -11.276 -2.455 1.00 0.00 H new ATOM 1094 N ILE A 109 2.978 -6.971 0.298 1.00 0.00 N ATOM 1095 CA ILE A 109 3.494 -6.214 1.432 1.00 0.00 C ATOM 1096 C ILE A 109 2.448 -6.096 2.535 1.00 0.00 C ATOM 1097 O ILE A 109 1.277 -5.827 2.268 1.00 0.00 O ATOM 1098 CB ILE A 109 3.940 -4.802 1.010 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.695 -4.858 -0.320 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.808 -4.176 2.091 1.00 0.00 C ATOM 1101 CD1 ILE A 109 5.875 -5.804 -0.306 1.00 0.00 C ATOM 0 H ILE A 109 2.438 -6.418 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 109 4.358 -6.761 1.810 1.00 0.00 H new ATOM 0 HB ILE A 109 3.054 -4.181 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.005 -5.162 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.045 -3.857 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.116 -3.178 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.240 -4.107 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.691 -4.794 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.362 -5.792 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.585 -5.489 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.529 -6.814 -0.085 1.00 0.00 H new ATOM 1113 N ARG A 110 2.880 -6.298 3.776 1.00 0.00 N ATOM 1114 CA ARG A 110 1.981 -6.214 4.921 1.00 0.00 C ATOM 1115 C ARG A 110 1.403 -4.808 5.055 1.00 0.00 C ATOM 1116 O ARG A 110 2.003 -3.820 4.631 1.00 0.00 O ATOM 1117 CB ARG A 110 2.719 -6.598 6.205 1.00 0.00 C ATOM 1118 CG ARG A 110 3.204 -8.038 6.220 1.00 0.00 C ATOM 1119 CD ARG A 110 3.825 -8.403 7.559 1.00 0.00 C ATOM 1120 NE ARG A 110 4.866 -9.418 7.422 1.00 0.00 N ATOM 1121 CZ ARG A 110 5.583 -9.878 8.441 1.00 0.00 C ATOM 1122 NH1 ARG A 110 5.373 -9.416 9.666 1.00 0.00 N ATOM 1123 NH2 ARG A 110 6.512 -10.803 8.237 1.00 0.00 N ATOM 0 H ARG A 110 3.847 -6.521 4.014 1.00 0.00 H new ATOM 0 HA ARG A 110 1.160 -6.913 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.574 -5.934 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.058 -6.437 7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.369 -8.706 6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.936 -8.185 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.248 -7.509 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.049 -8.769 8.231 1.00 0.00 H new ATOM 0 HE ARG A 110 5.053 -9.794 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.659 -8.705 9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.925 -9.771 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.676 -11.162 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.062 -11.155 9.021 1.00 0.00 H new ATOM 1137 N PRO A 111 0.209 -4.714 5.659 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.477 -3.435 5.864 1.00 0.00 C ATOM 1139 C PRO A 111 0.224 -2.560 6.898 1.00 0.00 C ATOM 1140 O PRO A 111 -0.244 -1.469 7.219 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.862 -3.851 6.366 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.653 -5.189 6.987 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.563 -5.850 6.190 1.00 0.00 C ATOM 0 HA PRO A 111 -0.501 -2.835 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.252 -3.135 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.581 -3.902 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.367 -5.093 8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.569 -5.779 6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.053 -6.498 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.969 -6.469 5.390 1.00 0.00 H new ATOM 1151 N GLU A 112 1.349 -3.047 7.414 1.00 0.00 N ATOM 1152 CA GLU A 112 2.113 -2.309 8.412 1.00 0.00 C ATOM 1153 C GLU A 112 3.174 -1.436 7.748 1.00 0.00 C ATOM 1154 O GLU A 112 3.546 -0.386 8.272 1.00 0.00 O ATOM 1155 CB GLU A 112 2.775 -3.274 9.397 1.00 0.00 C ATOM 1156 CG GLU A 112 1.800 -3.910 10.374 1.00 0.00 C ATOM 1157 CD GLU A 112 2.306 -5.228 10.928 1.00 0.00 C ATOM 1158 OE1 GLU A 112 2.679 -6.106 10.123 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.327 -5.380 12.167 1.00 0.00 O ATOM 0 H GLU A 112 1.751 -3.949 7.157 1.00 0.00 H new ATOM 0 HA GLU A 112 1.423 -1.663 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.281 -4.061 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.541 -2.739 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.615 -3.221 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.845 -4.073 9.874 1.00 0.00 H new ATOM 1166 N TRP A 113 3.656 -1.878 6.592 1.00 0.00 N ATOM 1167 CA TRP A 113 4.675 -1.138 5.856 1.00 0.00 C ATOM 1168 C TRP A 113 4.219 0.291 5.583 1.00 0.00 C ATOM 1169 O TRP A 113 5.021 1.225 5.615 1.00 0.00 O ATOM 1170 CB TRP A 113 4.996 -1.844 4.538 1.00 0.00 C ATOM 1171 CG TRP A 113 5.660 -0.953 3.532 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.859 -0.313 3.670 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.162 -0.603 2.236 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.136 0.414 2.538 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.111 0.252 1.643 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.009 -0.930 1.519 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 5.939 0.784 0.368 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 3.839 -0.402 0.253 1.00 0.00 C ATOM 1179 CH2 TRP A 113 4.800 0.447 -0.312 1.00 0.00 C ATOM 0 H TRP A 113 3.358 -2.745 6.144 1.00 0.00 H new ATOM 0 HA TRP A 113 5.576 -1.102 6.469 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.643 -2.697 4.740 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.074 -2.238 4.111 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.495 -0.370 4.541 1.00 0.00 H new ATOM 0 HE1 TRP A 113 7.970 0.982 2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.263 -1.584 1.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 6.678 1.439 -0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 2.951 -0.648 -0.310 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.639 0.843 -1.304 1.00 0.00 H new ATOM 1190 N ILE A 114 2.928 0.455 5.315 1.00 0.00 N ATOM 1191 CA ILE A 114 2.367 1.771 5.038 1.00 0.00 C ATOM 1192 C ILE A 114 2.135 2.552 6.327 1.00 0.00 C ATOM 1193 O ILE A 114 2.686 3.637 6.516 1.00 0.00 O ATOM 1194 CB ILE A 114 1.036 1.665 4.269 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.252 0.961 2.928 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.436 3.047 4.057 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.006 0.847 2.096 1.00 0.00 C ATOM 0 H ILE A 114 2.251 -0.307 5.284 1.00 0.00 H new ATOM 0 HA ILE A 114 3.093 2.300 4.421 1.00 0.00 H new ATOM 0 HB ILE A 114 0.337 1.073 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.006 1.504 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.649 -0.038 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.504 2.956 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.251 3.516 5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.130 3.661 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.222 0.338 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.755 0.278 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.392 1.844 1.882 1.00 0.00 H new ATOM 1209 N VAL A 115 1.316 1.993 7.212 1.00 0.00 N ATOM 1210 CA VAL A 115 1.014 2.635 8.486 1.00 0.00 C ATOM 1211 C VAL A 115 2.267 3.239 9.108 1.00 0.00 C ATOM 1212 O VAL A 115 2.248 4.370 9.594 1.00 0.00 O ATOM 1213 CB VAL A 115 0.387 1.641 9.481 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.131 2.315 10.820 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.899 1.058 8.914 1.00 0.00 C ATOM 0 H VAL A 115 0.850 1.097 7.070 1.00 0.00 H new ATOM 0 HA VAL A 115 0.297 3.429 8.278 1.00 0.00 H new ATOM 0 HB VAL A 115 1.090 0.823 9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.312 1.597 11.510 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.073 2.679 11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.552 3.153 10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.328 0.358 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.610 1.862 8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.682 0.536 7.982 1.00 0.00 H new ATOM 1225 N GLU A 116 3.356 2.477 9.090 1.00 0.00 N ATOM 1226 CA GLU A 116 4.620 2.938 9.654 1.00 0.00 C ATOM 1227 C GLU A 116 5.224 4.049 8.799 1.00 0.00 C ATOM 1228 O GLU A 116 5.650 5.082 9.316 1.00 0.00 O ATOM 1229 CB GLU A 116 5.607 1.774 9.770 1.00 0.00 C ATOM 1230 CG GLU A 116 5.110 0.640 10.650 1.00 0.00 C ATOM 1231 CD GLU A 116 5.167 0.980 12.127 1.00 0.00 C ATOM 1232 OE1 GLU A 116 6.276 1.257 12.629 1.00 0.00 O ATOM 1233 OE2 GLU A 116 4.103 0.968 12.780 1.00 0.00 O ATOM 0 H GLU A 116 3.389 1.539 8.692 1.00 0.00 H new ATOM 0 HA GLU A 116 4.421 3.336 10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.815 1.385 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.550 2.147 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.083 0.396 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.710 -0.250 10.462 1.00 0.00 H new ATOM 1240 N SER A 117 5.258 3.827 7.489 1.00 0.00 N ATOM 1241 CA SER A 117 5.813 4.807 6.563 1.00 0.00 C ATOM 1242 C SER A 117 5.122 6.157 6.721 1.00 0.00 C ATOM 1243 O SER A 117 5.766 7.206 6.674 1.00 0.00 O ATOM 1244 CB SER A 117 5.672 4.314 5.121 1.00 0.00 C ATOM 1245 OG SER A 117 6.562 3.243 4.858 1.00 0.00 O ATOM 0 H SER A 117 4.908 2.978 7.045 1.00 0.00 H new ATOM 0 HA SER A 117 6.871 4.931 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.646 3.991 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.872 5.134 4.432 1.00 0.00 H new ATOM 0 HG SER A 117 6.223 2.425 5.279 1.00 0.00 H new ATOM 1251 N ILE A 118 3.807 6.123 6.908 1.00 0.00 N ATOM 1252 CA ILE A 118 3.028 7.344 7.074 1.00 0.00 C ATOM 1253 C ILE A 118 3.355 8.029 8.397 1.00 0.00 C ATOM 1254 O ILE A 118 3.715 9.206 8.427 1.00 0.00 O ATOM 1255 CB ILE A 118 1.515 7.058 7.017 1.00 0.00 C ATOM 1256 CG1 ILE A 118 1.121 6.560 5.625 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.727 8.307 7.382 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.354 6.252 5.489 1.00 0.00 C ATOM 0 H ILE A 118 3.259 5.264 6.948 1.00 0.00 H new ATOM 0 HA ILE A 118 3.296 8.005 6.250 1.00 0.00 H new ATOM 0 HB ILE A 118 1.279 6.278 7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.396 7.313 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.694 5.662 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.340 8.090 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.991 8.622 8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.964 9.105 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.561 5.904 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.631 5.476 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.934 7.153 5.689 1.00 0.00 H new ATOM 1270 N LYS A 119 3.228 7.284 9.490 1.00 0.00 N ATOM 1271 CA LYS A 119 3.512 7.817 10.817 1.00 0.00 C ATOM 1272 C LYS A 119 4.889 8.473 10.856 1.00 0.00 C ATOM 1273 O LYS A 119 5.123 9.401 11.630 1.00 0.00 O ATOM 1274 CB LYS A 119 3.437 6.703 11.863 1.00 0.00 C ATOM 1275 CG LYS A 119 2.017 6.327 12.250 1.00 0.00 C ATOM 1276 CD LYS A 119 1.991 5.115 13.165 1.00 0.00 C ATOM 1277 CE LYS A 119 0.579 4.803 13.637 1.00 0.00 C ATOM 1278 NZ LYS A 119 0.577 3.977 14.876 1.00 0.00 N ATOM 0 H LYS A 119 2.930 6.309 9.483 1.00 0.00 H new ATOM 0 HA LYS A 119 2.761 8.573 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.946 5.819 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.977 7.018 12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.539 7.171 12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.437 6.118 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.399 4.252 12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.633 5.295 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.044 5.734 13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.041 4.276 12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.404 3.786 15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.065 3.077 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.068 4.490 15.636 1.00 0.00 H new ATOM 1292 N ALA A 120 5.796 7.987 10.015 1.00 0.00 N ATOM 1293 CA ALA A 120 7.147 8.528 9.951 1.00 0.00 C ATOM 1294 C ALA A 120 7.225 9.698 8.976 1.00 0.00 C ATOM 1295 O ALA A 120 8.130 10.527 9.057 1.00 0.00 O ATOM 1296 CB ALA A 120 8.134 7.440 9.554 1.00 0.00 C ATOM 0 H ALA A 120 5.619 7.219 9.368 1.00 0.00 H new ATOM 0 HA ALA A 120 7.410 8.897 10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.139 7.859 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.107 6.638 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.864 7.043 8.576 1.00 0.00 H new ATOM 1302 N GLY A 121 6.269 9.757 8.053 1.00 0.00 N ATOM 1303 CA GLY A 121 6.249 10.829 7.075 1.00 0.00 C ATOM 1304 C GLY A 121 7.183 10.569 5.910 1.00 0.00 C ATOM 1305 O GLY A 121 7.445 11.462 5.104 1.00 0.00 O ATOM 0 H GLY A 121 5.509 9.082 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.233 10.956 6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.530 11.764 7.560 1.00 0.00 H new ATOM 1309 N ARG A 122 7.689 9.343 5.822 1.00 0.00 N ATOM 1310 CA ARG A 122 8.603 8.969 4.749 1.00 0.00 C ATOM 1311 C ARG A 122 8.355 7.531 4.301 1.00 0.00 C ATOM 1312 O ARG A 122 7.688 6.760 4.992 1.00 0.00 O ATOM 1313 CB ARG A 122 10.054 9.128 5.207 1.00 0.00 C ATOM 1314 CG ARG A 122 10.516 8.036 6.157 1.00 0.00 C ATOM 1315 CD ARG A 122 11.935 8.286 6.645 1.00 0.00 C ATOM 1316 NE ARG A 122 12.932 7.702 5.752 1.00 0.00 N ATOM 1317 CZ ARG A 122 14.219 7.592 6.059 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.663 8.022 7.232 1.00 0.00 N ATOM 1319 NH2 ARG A 122 15.065 7.049 5.193 1.00 0.00 N ATOM 0 H ARG A 122 7.482 8.592 6.480 1.00 0.00 H new ATOM 0 HA ARG A 122 8.421 9.632 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.704 9.135 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.168 10.095 5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.840 7.985 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.468 7.070 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.106 9.359 6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.054 7.867 7.644 1.00 0.00 H new ATOM 0 HE ARG A 122 12.623 7.360 4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.015 8.438 7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.652 7.936 7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 122 14.727 6.716 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.054 6.965 5.430 1.00 0.00 H new ATOM 1333 N LEU A 123 8.896 7.178 3.140 1.00 0.00 N ATOM 1334 CA LEU A 123 8.734 5.833 2.598 1.00 0.00 C ATOM 1335 C LEU A 123 9.795 4.890 3.156 1.00 0.00 C ATOM 1336 O LEU A 123 10.988 5.196 3.130 1.00 0.00 O ATOM 1337 CB LEU A 123 8.814 5.864 1.071 1.00 0.00 C ATOM 1338 CG LEU A 123 8.014 4.789 0.335 1.00 0.00 C ATOM 1339 CD1 LEU A 123 8.239 4.890 -1.166 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.391 3.404 0.841 1.00 0.00 C ATOM 0 H LEU A 123 9.450 7.804 2.556 1.00 0.00 H new ATOM 0 HA LEU A 123 7.753 5.463 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.472 6.841 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.860 5.773 0.780 1.00 0.00 H new ATOM 0 HG LEU A 123 6.955 4.951 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.662 4.117 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.919 5.871 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.298 4.754 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.812 2.651 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.454 3.232 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.177 3.336 1.908 1.00 0.00 H new ATOM 1352 N LEU A 124 9.354 3.741 3.657 1.00 0.00 N ATOM 1353 CA LEU A 124 10.266 2.751 4.218 1.00 0.00 C ATOM 1354 C LEU A 124 10.484 1.597 3.245 1.00 0.00 C ATOM 1355 O LEU A 124 9.749 1.449 2.268 1.00 0.00 O ATOM 1356 CB LEU A 124 9.718 2.218 5.544 1.00 0.00 C ATOM 1357 CG LEU A 124 9.461 3.262 6.632 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.351 2.800 7.562 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.736 3.540 7.416 1.00 0.00 C ATOM 0 H LEU A 124 8.370 3.472 3.686 1.00 0.00 H new ATOM 0 HA LEU A 124 11.225 3.237 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.784 1.694 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.420 1.481 5.934 1.00 0.00 H new ATOM 0 HG LEU A 124 9.144 4.188 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.182 3.555 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.435 2.652 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.639 1.861 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.535 4.285 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.083 2.619 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.504 3.915 6.740 1.00 0.00 H new ATOM 1371 N SER A 125 11.497 0.782 3.519 1.00 0.00 N ATOM 1372 CA SER A 125 11.813 -0.358 2.666 1.00 0.00 C ATOM 1373 C SER A 125 10.764 -1.456 2.816 1.00 0.00 C ATOM 1374 O SER A 125 10.450 -1.882 3.928 1.00 0.00 O ATOM 1375 CB SER A 125 13.197 -0.911 3.010 1.00 0.00 C ATOM 1376 OG SER A 125 13.472 -2.092 2.276 1.00 0.00 O ATOM 0 H SER A 125 12.113 0.890 4.325 1.00 0.00 H new ATOM 0 HA SER A 125 11.812 -0.017 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.956 -0.160 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.253 -1.122 4.078 1.00 0.00 H new ATOM 0 HG SER A 125 14.363 -2.424 2.513 1.00 0.00 H new ATOM 1382 N TYR A 126 10.225 -1.908 1.689 1.00 0.00 N ATOM 1383 CA TYR A 126 9.209 -2.954 1.694 1.00 0.00 C ATOM 1384 C TYR A 126 9.850 -4.336 1.607 1.00 0.00 C ATOM 1385 O TYR A 126 9.174 -5.356 1.749 1.00 0.00 O ATOM 1386 CB TYR A 126 8.238 -2.756 0.529 1.00 0.00 C ATOM 1387 CG TYR A 126 8.896 -2.842 -0.829 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.077 -4.068 -1.458 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.336 -1.699 -1.484 1.00 0.00 C ATOM 1390 CE1 TYR A 126 9.678 -4.152 -2.699 1.00 0.00 C ATOM 1391 CE2 TYR A 126 9.937 -1.773 -2.726 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.106 -3.002 -3.329 1.00 0.00 C ATOM 1393 OH TYR A 126 10.705 -3.080 -4.565 1.00 0.00 O ATOM 0 H TYR A 126 10.475 -1.567 0.761 1.00 0.00 H new ATOM 0 HA TYR A 126 8.659 -2.887 2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.452 -3.508 0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.757 -1.783 0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 126 8.742 -4.970 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.206 -0.735 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 126 9.812 -5.113 -3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.272 -0.874 -3.222 1.00 0.00 H new ATOM 0 HH TYR A 126 10.946 -2.180 -4.869 1.00 0.00 H new ATOM 1403 N ILE A 127 11.157 -4.361 1.372 1.00 0.00 N ATOM 1404 CA ILE A 127 11.890 -5.616 1.267 1.00 0.00 C ATOM 1405 C ILE A 127 11.643 -6.500 2.485 1.00 0.00 C ATOM 1406 O ILE A 127 11.176 -7.634 2.376 1.00 0.00 O ATOM 1407 CB ILE A 127 13.404 -5.374 1.121 1.00 0.00 C ATOM 1408 CG1 ILE A 127 13.785 -5.262 -0.356 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.187 -6.493 1.792 1.00 0.00 C ATOM 1410 CD1 ILE A 127 15.055 -4.475 -0.595 1.00 0.00 C ATOM 0 H ILE A 127 11.730 -3.526 1.251 1.00 0.00 H new ATOM 0 HA ILE A 127 11.524 -6.121 0.373 1.00 0.00 H new ATOM 0 HB ILE A 127 13.655 -4.435 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.905 -6.264 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.967 -4.789 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.255 -6.307 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.934 -6.529 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.933 -7.445 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 127 15.264 -4.437 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.932 -3.462 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 127 15.885 -4.959 -0.081 1.00 0.00 H new ATOM 1422 N PRO A 128 11.963 -5.971 3.675 1.00 0.00 N ATOM 1423 CA PRO A 128 11.782 -6.693 4.937 1.00 0.00 C ATOM 1424 C PRO A 128 10.311 -6.868 5.300 1.00 0.00 C ATOM 1425 O PRO A 128 9.971 -7.630 6.205 1.00 0.00 O ATOM 1426 CB PRO A 128 12.483 -5.798 5.962 1.00 0.00 C ATOM 1427 CG PRO A 128 12.434 -4.433 5.368 1.00 0.00 C ATOM 1428 CD PRO A 128 12.525 -4.625 3.880 1.00 0.00 C ATOM 0 HA PRO A 128 12.184 -7.705 4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.976 -5.829 6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.511 -6.120 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.510 -3.922 5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.257 -3.819 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.957 -3.866 3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.555 -4.562 3.529 1.00 0.00 H new ATOM 1436 N TYR A 129 9.443 -6.158 4.588 1.00 0.00 N ATOM 1437 CA TYR A 129 8.009 -6.233 4.837 1.00 0.00 C ATOM 1438 C TYR A 129 7.354 -7.276 3.936 1.00 0.00 C ATOM 1439 O TYR A 129 6.253 -7.749 4.216 1.00 0.00 O ATOM 1440 CB TYR A 129 7.358 -4.867 4.611 1.00 0.00 C ATOM 1441 CG TYR A 129 7.517 -3.920 5.779 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.702 -3.221 5.975 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.484 -3.726 6.687 1.00 0.00 C ATOM 1444 CE1 TYR A 129 8.852 -2.355 7.041 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.625 -2.861 7.755 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.811 -2.178 7.928 1.00 0.00 C ATOM 1447 OH TYR A 129 7.956 -1.317 8.991 1.00 0.00 O ATOM 0 H TYR A 129 9.708 -5.524 3.834 1.00 0.00 H new ATOM 0 HA TYR A 129 7.861 -6.531 5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.792 -4.410 3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.296 -5.009 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.519 -3.357 5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.555 -4.260 6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.780 -1.819 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.811 -2.720 8.451 1.00 0.00 H new ATOM 0 HH TYR A 129 8.574 -0.597 8.747 1.00 0.00 H new ATOM 1457 N GLN A 130 8.040 -7.628 2.854 1.00 0.00 N ATOM 1458 CA GLN A 130 7.526 -8.615 1.911 1.00 0.00 C ATOM 1459 C GLN A 130 7.333 -9.967 2.590 1.00 0.00 C ATOM 1460 O GLN A 130 8.299 -10.612 2.999 1.00 0.00 O ATOM 1461 CB GLN A 130 8.476 -8.759 0.722 1.00 0.00 C ATOM 1462 CG GLN A 130 8.166 -7.809 -0.424 1.00 0.00 C ATOM 1463 CD GLN A 130 9.206 -7.865 -1.526 1.00 0.00 C ATOM 1464 OE1 GLN A 130 8.871 -7.958 -2.707 1.00 0.00 O ATOM 1465 NE2 GLN A 130 10.476 -7.806 -1.144 1.00 0.00 N ATOM 0 H GLN A 130 8.953 -7.245 2.608 1.00 0.00 H new ATOM 0 HA GLN A 130 6.557 -8.267 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.497 -8.585 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.432 -9.784 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.188 -8.054 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.103 -6.791 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 130 10.708 -7.729 -0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.220 -7.837 -1.841 1.00 0.00 H new ATOM 1474 N LEU A 131 6.079 -10.391 2.707 1.00 0.00 N ATOM 1475 CA LEU A 131 5.759 -11.667 3.337 1.00 0.00 C ATOM 1476 C LEU A 131 6.496 -12.813 2.652 1.00 0.00 C ATOM 1477 O LEU A 131 7.372 -13.443 3.244 1.00 0.00 O ATOM 1478 CB LEU A 131 4.250 -11.916 3.291 1.00 0.00 C ATOM 1479 CG LEU A 131 3.399 -11.059 4.229 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.969 -10.970 3.720 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.431 -11.622 5.642 1.00 0.00 C ATOM 0 H LEU A 131 5.268 -9.870 2.374 1.00 0.00 H new ATOM 0 HA LEU A 131 6.083 -11.622 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.906 -11.752 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 131 4.068 -12.965 3.524 1.00 0.00 H new ATOM 0 HG LEU A 131 3.818 -10.053 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.378 -10.356 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.963 -10.520 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.539 -11.970 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 131 2.820 -10.999 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.038 -12.639 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.458 -11.632 6.007 1.00 0.00 H new ATOM 1493 N TYR A 132 6.137 -13.076 1.400 1.00 0.00 N ATOM 1494 CA TYR A 132 6.764 -14.146 0.634 1.00 0.00 C ATOM 1495 C TYR A 132 7.709 -13.579 -0.421 1.00 0.00 C ATOM 1496 O TYR A 132 7.273 -13.083 -1.461 1.00 0.00 O ATOM 1497 CB TYR A 132 5.698 -15.015 -0.035 1.00 0.00 C ATOM 1498 CG TYR A 132 4.503 -15.295 0.848 1.00 0.00 C ATOM 1499 CD1 TYR A 132 4.516 -16.349 1.754 1.00 0.00 C ATOM 1500 CD2 TYR A 132 3.361 -14.507 0.777 1.00 0.00 C ATOM 1501 CE1 TYR A 132 3.427 -16.609 2.563 1.00 0.00 C ATOM 1502 CE2 TYR A 132 2.268 -14.759 1.583 1.00 0.00 C ATOM 1503 CZ TYR A 132 2.305 -15.811 2.474 1.00 0.00 C ATOM 1504 OH TYR A 132 1.218 -16.066 3.277 1.00 0.00 O ATOM 0 H TYR A 132 5.415 -12.563 0.894 1.00 0.00 H new ATOM 0 HA TYR A 132 7.344 -14.760 1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 132 5.358 -14.522 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 132 6.148 -15.962 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 132 5.393 -16.976 1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 132 3.327 -13.683 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.454 -17.432 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.389 -14.135 1.516 1.00 0.00 H new ATOM 0 HH TYR A 132 0.577 -16.627 2.792 1.00 0.00 H new