USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 LYS NZ :NH3+ -165:sc= 0.52 (180deg=0.0193) USER MOD Set 1.2: A 126 TYR OH : rot 180:sc= 0.485 USER MOD Set 2.1: A 57 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.5!) USER MOD Set 2.2: A 99 LYS NZ :NH3+ 172:sc= -0.0209 (180deg=0) USER MOD Set 3.1: A 88 THR OG1 : rot 89:sc= 1 USER MOD Set 3.2: A 89 HIS : no HD1:sc= 0.302 K(o=1.3,f=-10!) USER MOD Set 4.1: A 79 HIS : no HD1:sc= -3.22! C(o=-2!,f=-7.9!) USER MOD Set 4.2: A 87 THR OG1 : rot -1:sc= 1.22 USER MOD Single : A 47 THR OG1 : rot -24:sc= 0.229 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 59 TYR OH : rot 19:sc= 1.02 USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.353 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 -106:sc= -0.932 (180deg=-3.47!) USER MOD Single : A 72 MET CE :methyl -173:sc= 0 (180deg=-0.0518) USER MOD Single : A 74 HIS : no HE2:sc= -1.6! C(o=-1.6!,f=-3.5!) USER MOD Single : A 77 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.32) USER MOD Single : A 78 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.698 USER MOD Single : A 83 SER OG : rot 170: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 110:sc= -1.18! USER MOD Single : A 94 ASN : amide:sc= -0.0868 K(o=-0.087,f=-0.63) USER MOD Single : A 97 ASN : amide:sc= -0.0929 K(o=-0.093,f=-0.88) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 86:sc= 1.49 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -170:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -0.0416 F(o=-1,f=-0.042) USER MOD Single : A 132 TYR OH : rot -103:sc= 0.0215 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.843 13.285 -1.304 1.00 0.00 N ATOM 103 CA THR A 47 4.732 12.363 -2.427 1.00 0.00 C ATOM 104 C THR A 47 5.578 11.116 -2.201 1.00 0.00 C ATOM 105 O THR A 47 6.363 10.722 -3.065 1.00 0.00 O ATOM 106 CB THR A 47 5.164 13.031 -3.746 1.00 0.00 C ATOM 107 OG1 THR A 47 6.406 13.720 -3.563 1.00 0.00 O ATOM 108 CG2 THR A 47 4.104 14.008 -4.231 1.00 0.00 C ATOM 0 HA THR A 47 3.683 12.078 -2.499 1.00 0.00 H new ATOM 0 HB THR A 47 5.288 12.252 -4.498 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.519 13.945 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.432 14.467 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.168 13.476 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.952 14.783 -3.479 1.00 0.00 H new ATOM 116 N ILE A 48 5.413 10.498 -1.037 1.00 0.00 N ATOM 117 CA ILE A 48 6.161 9.293 -0.699 1.00 0.00 C ATOM 118 C ILE A 48 5.537 8.060 -1.343 1.00 0.00 C ATOM 119 O ILE A 48 6.210 7.053 -1.563 1.00 0.00 O ATOM 120 CB ILE A 48 6.232 9.083 0.825 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.824 8.965 1.411 1.00 0.00 C ATOM 122 CG2 ILE A 48 6.992 10.226 1.482 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.798 8.385 2.808 1.00 0.00 C ATOM 0 H ILE A 48 4.768 10.812 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 48 7.171 9.430 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 48 6.767 8.155 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.362 9.952 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.217 8.340 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.034 10.064 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.005 10.267 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.482 11.167 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.768 8.331 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.230 7.384 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.377 9.022 3.477 1.00 0.00 H new ATOM 135 N PHE A 49 4.245 8.146 -1.644 1.00 0.00 N ATOM 136 CA PHE A 49 3.529 7.037 -2.264 1.00 0.00 C ATOM 137 C PHE A 49 3.019 7.425 -3.648 1.00 0.00 C ATOM 138 O PHE A 49 1.910 7.061 -4.038 1.00 0.00 O ATOM 139 CB PHE A 49 2.358 6.601 -1.380 1.00 0.00 C ATOM 140 CG PHE A 49 2.778 5.801 -0.181 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.297 4.525 -0.329 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.653 6.325 1.096 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.684 3.786 0.773 1.00 0.00 C ATOM 144 CE2 PHE A 49 3.040 5.591 2.202 1.00 0.00 C ATOM 145 CZ PHE A 49 3.554 4.319 2.040 1.00 0.00 C ATOM 0 H PHE A 49 3.673 8.972 -1.469 1.00 0.00 H new ATOM 0 HA PHE A 49 4.223 6.204 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.817 7.486 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.663 6.009 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.400 4.103 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.249 7.318 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.088 2.793 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.941 6.012 3.192 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.854 3.743 2.903 1.00 0.00 H new ATOM 155 N SER A 50 3.838 8.167 -4.388 1.00 0.00 N ATOM 156 CA SER A 50 3.469 8.608 -5.727 1.00 0.00 C ATOM 157 C SER A 50 3.473 7.438 -6.706 1.00 0.00 C ATOM 158 O SER A 50 4.446 6.690 -6.792 1.00 0.00 O ATOM 159 CB SER A 50 4.430 9.696 -6.211 1.00 0.00 C ATOM 160 OG SER A 50 3.996 10.250 -7.442 1.00 0.00 O ATOM 0 H SER A 50 4.761 8.475 -4.082 1.00 0.00 H new ATOM 0 HA SER A 50 2.460 9.017 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.502 10.483 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.429 9.277 -6.330 1.00 0.00 H new ATOM 0 HG SER A 50 4.626 10.944 -7.729 1.00 0.00 H new ATOM 166 N GLY A 51 2.377 7.286 -7.443 1.00 0.00 N ATOM 167 CA GLY A 51 2.274 6.205 -8.405 1.00 0.00 C ATOM 168 C GLY A 51 2.399 4.840 -7.760 1.00 0.00 C ATOM 169 O GLY A 51 3.055 3.948 -8.298 1.00 0.00 O ATOM 0 H GLY A 51 1.559 7.892 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.317 6.273 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.052 6.319 -9.160 1.00 0.00 H new ATOM 173 N VAL A 52 1.770 4.675 -6.600 1.00 0.00 N ATOM 174 CA VAL A 52 1.814 3.409 -5.879 1.00 0.00 C ATOM 175 C VAL A 52 0.413 2.843 -5.676 1.00 0.00 C ATOM 176 O VAL A 52 -0.290 3.220 -4.739 1.00 0.00 O ATOM 177 CB VAL A 52 2.496 3.567 -4.507 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.410 2.272 -3.715 1.00 0.00 C ATOM 179 CG2 VAL A 52 3.944 4.001 -4.680 1.00 0.00 C ATOM 0 H VAL A 52 1.224 5.403 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 52 2.397 2.718 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 52 1.972 4.342 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.897 2.403 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.364 2.009 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.907 1.474 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.411 4.108 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.482 3.250 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.977 4.956 -5.204 1.00 0.00 H new ATOM 189 N ALA A 53 0.014 1.934 -6.560 1.00 0.00 N ATOM 190 CA ALA A 53 -1.302 1.314 -6.476 1.00 0.00 C ATOM 191 C ALA A 53 -1.259 0.046 -5.630 1.00 0.00 C ATOM 192 O ALA A 53 -0.566 -0.914 -5.969 1.00 0.00 O ATOM 193 CB ALA A 53 -1.829 1.003 -7.869 1.00 0.00 C ATOM 0 H ALA A 53 0.583 1.611 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.978 2.019 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.813 0.540 -7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.907 1.926 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.145 0.319 -8.372 1.00 0.00 H new ATOM 199 N ILE A 54 -2.002 0.049 -4.529 1.00 0.00 N ATOM 200 CA ILE A 54 -2.048 -1.101 -3.635 1.00 0.00 C ATOM 201 C ILE A 54 -3.391 -1.817 -3.729 1.00 0.00 C ATOM 202 O ILE A 54 -4.396 -1.224 -4.122 1.00 0.00 O ATOM 203 CB ILE A 54 -1.800 -0.688 -2.172 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.873 0.300 -1.710 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.413 -0.081 -2.021 1.00 0.00 C ATOM 206 CD1 ILE A 54 -2.965 0.432 -0.205 1.00 0.00 C ATOM 0 H ILE A 54 -2.581 0.836 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.255 -1.778 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.856 -1.577 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.663 1.279 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.840 -0.019 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.253 0.206 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.339 -0.813 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.330 0.800 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.746 1.148 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.205 -0.538 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.010 0.780 0.189 1.00 0.00 H new ATOM 218 N TYR A 55 -3.401 -3.094 -3.363 1.00 0.00 N ATOM 219 CA TYR A 55 -4.621 -3.891 -3.406 1.00 0.00 C ATOM 220 C TYR A 55 -4.740 -4.772 -2.166 1.00 0.00 C ATOM 221 O TYR A 55 -4.040 -5.776 -2.033 1.00 0.00 O ATOM 222 CB TYR A 55 -4.644 -4.759 -4.665 1.00 0.00 C ATOM 223 CG TYR A 55 -5.760 -5.778 -4.678 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.076 -5.393 -4.902 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.499 -7.126 -4.466 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.100 -6.321 -4.914 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.516 -8.061 -4.478 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.815 -7.654 -4.702 1.00 0.00 C ATOM 229 OH TYR A 55 -8.830 -8.582 -4.713 1.00 0.00 O ATOM 0 H TYR A 55 -2.578 -3.599 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.470 -3.208 -3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.742 -4.115 -5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.689 -5.277 -4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.303 -4.350 -5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.484 -7.449 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.118 -6.004 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.295 -9.105 -4.313 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.459 -9.474 -4.549 1.00 0.00 H new ATOM 239 N VAL A 56 -5.633 -4.389 -1.259 1.00 0.00 N ATOM 240 CA VAL A 56 -5.847 -5.144 -0.030 1.00 0.00 C ATOM 241 C VAL A 56 -6.647 -6.413 -0.297 1.00 0.00 C ATOM 242 O VAL A 56 -7.732 -6.365 -0.876 1.00 0.00 O ATOM 243 CB VAL A 56 -6.583 -4.299 1.027 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.831 -5.115 2.286 1.00 0.00 C ATOM 245 CG2 VAL A 56 -5.792 -3.039 1.346 1.00 0.00 C ATOM 0 H VAL A 56 -6.220 -3.560 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.862 -5.413 0.352 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.549 -4.001 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.352 -4.501 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.441 -5.984 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.878 -5.445 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.326 -2.454 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.811 -3.314 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.672 -2.446 0.440 1.00 0.00 H new ATOM 255 N ASN A 57 -6.105 -7.549 0.131 1.00 0.00 N ATOM 256 CA ASN A 57 -6.769 -8.833 -0.062 1.00 0.00 C ATOM 257 C ASN A 57 -6.961 -9.552 1.270 1.00 0.00 C ATOM 258 O ASN A 57 -5.996 -9.992 1.895 1.00 0.00 O ATOM 259 CB ASN A 57 -5.958 -9.712 -1.016 1.00 0.00 C ATOM 260 CG ASN A 57 -6.450 -11.146 -1.041 1.00 0.00 C ATOM 261 OD1 ASN A 57 -6.439 -11.835 -0.021 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.885 -11.603 -2.210 1.00 0.00 N ATOM 0 H ASN A 57 -5.208 -7.606 0.614 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.750 -8.644 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.010 -9.296 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.910 -9.696 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.228 -12.560 -2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.876 -10.996 -3.030 1.00 0.00 H new ATOM 269 N GLY A 58 -8.214 -9.668 1.699 1.00 0.00 N ATOM 270 CA GLY A 58 -8.510 -10.334 2.954 1.00 0.00 C ATOM 271 C GLY A 58 -8.528 -9.376 4.128 1.00 0.00 C ATOM 272 O GLY A 58 -8.472 -8.160 3.947 1.00 0.00 O ATOM 0 H GLY A 58 -9.029 -9.313 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.478 -10.830 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.767 -11.111 3.134 1.00 0.00 H new ATOM 276 N TYR A 59 -8.609 -9.925 5.336 1.00 0.00 N ATOM 277 CA TYR A 59 -8.639 -9.111 6.545 1.00 0.00 C ATOM 278 C TYR A 59 -7.268 -8.504 6.827 1.00 0.00 C ATOM 279 O TYR A 59 -6.270 -9.217 6.940 1.00 0.00 O ATOM 280 CB TYR A 59 -9.093 -9.951 7.740 1.00 0.00 C ATOM 281 CG TYR A 59 -8.970 -9.235 9.065 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.735 -9.088 9.686 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.088 -8.705 9.698 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.618 -8.435 10.898 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.980 -8.049 10.909 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.743 -7.917 11.505 1.00 0.00 C ATOM 287 OH TYR A 59 -8.631 -7.265 12.712 1.00 0.00 O ATOM 0 H TYR A 59 -8.655 -10.930 5.503 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.350 -8.300 6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.131 -10.247 7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.502 -10.866 7.775 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.852 -9.491 9.213 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.058 -8.808 9.235 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.651 -8.331 11.367 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.859 -7.642 11.386 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.699 -6.996 12.853 1.00 0.00 H new ATOM 297 N THR A 60 -7.226 -7.180 6.940 1.00 0.00 N ATOM 298 CA THR A 60 -5.979 -6.475 7.209 1.00 0.00 C ATOM 299 C THR A 60 -6.203 -5.303 8.157 1.00 0.00 C ATOM 300 O THR A 60 -7.306 -4.763 8.242 1.00 0.00 O ATOM 301 CB THR A 60 -5.337 -5.954 5.909 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.287 -5.179 5.170 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.839 -7.107 5.051 1.00 0.00 C ATOM 0 H THR A 60 -8.042 -6.574 6.849 1.00 0.00 H new ATOM 0 HA THR A 60 -5.305 -7.193 7.677 1.00 0.00 H new ATOM 0 HB THR A 60 -4.486 -5.327 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.841 -4.396 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.390 -6.714 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.094 -7.678 5.605 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.676 -7.756 4.793 1.00 0.00 H new ATOM 311 N ASP A 61 -5.150 -4.913 8.867 1.00 0.00 N ATOM 312 CA ASP A 61 -5.232 -3.802 9.809 1.00 0.00 C ATOM 313 C ASP A 61 -4.150 -2.765 9.522 1.00 0.00 C ATOM 314 O ASP A 61 -2.956 -3.063 9.519 1.00 0.00 O ATOM 315 CB ASP A 61 -5.100 -4.312 11.245 1.00 0.00 C ATOM 316 CG ASP A 61 -5.670 -5.705 11.419 1.00 0.00 C ATOM 317 OD1 ASP A 61 -5.024 -6.671 10.961 1.00 0.00 O ATOM 318 OD2 ASP A 61 -6.762 -5.830 12.013 1.00 0.00 O ATOM 0 H ASP A 61 -4.230 -5.349 8.808 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.206 -3.327 9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.048 -4.315 11.531 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.612 -3.626 11.920 1.00 0.00 H new ATOM 323 N PRO A 62 -4.576 -1.518 9.272 1.00 0.00 N ATOM 324 CA PRO A 62 -5.996 -1.152 9.272 1.00 0.00 C ATOM 325 C PRO A 62 -6.748 -1.751 8.088 1.00 0.00 C ATOM 326 O PRO A 62 -6.155 -2.398 7.226 1.00 0.00 O ATOM 327 CB PRO A 62 -5.968 0.375 9.171 1.00 0.00 C ATOM 328 CG PRO A 62 -4.670 0.687 8.510 1.00 0.00 C ATOM 329 CD PRO A 62 -3.705 -0.370 8.971 1.00 0.00 C ATOM 0 HA PRO A 62 -6.514 -1.525 10.156 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.809 0.749 8.587 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.032 0.838 10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.772 0.675 7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.321 1.682 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.974 -0.611 8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.146 -0.048 9.850 1.00 0.00 H new ATOM 337 N SER A 63 -8.059 -1.529 8.053 1.00 0.00 N ATOM 338 CA SER A 63 -8.893 -2.050 6.976 1.00 0.00 C ATOM 339 C SER A 63 -8.514 -1.418 5.641 1.00 0.00 C ATOM 340 O SER A 63 -7.684 -0.511 5.584 1.00 0.00 O ATOM 341 CB SER A 63 -10.370 -1.789 7.276 1.00 0.00 C ATOM 342 OG SER A 63 -10.733 -2.309 8.543 1.00 0.00 O ATOM 0 H SER A 63 -8.565 -0.993 8.757 1.00 0.00 H new ATOM 0 HA SER A 63 -8.727 -3.125 6.909 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.566 -0.717 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.988 -2.245 6.502 1.00 0.00 H new ATOM 0 HG SER A 63 -11.681 -2.128 8.712 1.00 0.00 H new ATOM 348 N ALA A 64 -9.129 -1.904 4.568 1.00 0.00 N ATOM 349 CA ALA A 64 -8.858 -1.386 3.232 1.00 0.00 C ATOM 350 C ALA A 64 -9.306 0.067 3.105 1.00 0.00 C ATOM 351 O ALA A 64 -8.586 0.901 2.559 1.00 0.00 O ATOM 352 CB ALA A 64 -9.547 -2.246 2.183 1.00 0.00 C ATOM 0 H ALA A 64 -9.818 -2.655 4.597 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.781 -1.423 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.336 -1.848 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.176 -3.269 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.623 -2.238 2.356 1.00 0.00 H new ATOM 358 N GLU A 65 -10.498 0.360 3.614 1.00 0.00 N ATOM 359 CA GLU A 65 -11.041 1.712 3.555 1.00 0.00 C ATOM 360 C GLU A 65 -10.029 2.728 4.077 1.00 0.00 C ATOM 361 O GLU A 65 -9.779 3.752 3.442 1.00 0.00 O ATOM 362 CB GLU A 65 -12.335 1.801 4.367 1.00 0.00 C ATOM 363 CG GLU A 65 -13.223 2.970 3.972 1.00 0.00 C ATOM 364 CD GLU A 65 -14.604 2.889 4.592 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.696 2.569 5.795 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.593 3.146 3.874 1.00 0.00 O ATOM 0 H GLU A 65 -11.106 -0.320 4.071 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.258 1.944 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.895 0.873 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.085 1.887 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.747 3.902 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.317 2.999 2.886 1.00 0.00 H new ATOM 373 N GLU A 66 -9.451 2.436 5.238 1.00 0.00 N ATOM 374 CA GLU A 66 -8.468 3.324 5.846 1.00 0.00 C ATOM 375 C GLU A 66 -7.311 3.593 4.887 1.00 0.00 C ATOM 376 O GLU A 66 -6.918 4.741 4.676 1.00 0.00 O ATOM 377 CB GLU A 66 -7.936 2.719 7.147 1.00 0.00 C ATOM 378 CG GLU A 66 -8.812 3.007 8.354 1.00 0.00 C ATOM 379 CD GLU A 66 -8.511 4.352 8.986 1.00 0.00 C ATOM 380 OE1 GLU A 66 -9.123 5.356 8.563 1.00 0.00 O ATOM 381 OE2 GLU A 66 -7.665 4.402 9.903 1.00 0.00 O ATOM 0 H GLU A 66 -9.647 1.592 5.776 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.961 4.270 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.843 1.640 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.934 3.106 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.859 2.977 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.671 2.221 9.096 1.00 0.00 H new ATOM 388 N LEU A 67 -6.770 2.526 4.310 1.00 0.00 N ATOM 389 CA LEU A 67 -5.657 2.645 3.373 1.00 0.00 C ATOM 390 C LEU A 67 -6.081 3.402 2.118 1.00 0.00 C ATOM 391 O LEU A 67 -5.290 4.140 1.530 1.00 0.00 O ATOM 392 CB LEU A 67 -5.134 1.259 2.994 1.00 0.00 C ATOM 393 CG LEU A 67 -4.712 0.359 4.156 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.536 -1.076 3.685 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.428 0.875 4.791 1.00 0.00 C ATOM 0 H LEU A 67 -7.083 1.569 4.474 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.860 3.206 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.908 0.744 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.279 1.385 2.329 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.500 0.378 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.236 -1.701 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.478 -1.444 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.768 -1.114 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.142 0.223 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.633 0.887 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.588 1.886 5.166 1.00 0.00 H new ATOM 407 N ARG A 68 -7.333 3.215 1.715 1.00 0.00 N ATOM 408 CA ARG A 68 -7.862 3.882 0.531 1.00 0.00 C ATOM 409 C ARG A 68 -7.592 5.382 0.585 1.00 0.00 C ATOM 410 O ARG A 68 -7.101 5.972 -0.378 1.00 0.00 O ATOM 411 CB ARG A 68 -9.365 3.627 0.405 1.00 0.00 C ATOM 412 CG ARG A 68 -9.924 3.953 -0.971 1.00 0.00 C ATOM 413 CD ARG A 68 -11.309 3.354 -1.165 1.00 0.00 C ATOM 414 NE ARG A 68 -12.358 4.219 -0.633 1.00 0.00 N ATOM 415 CZ ARG A 68 -13.627 3.844 -0.508 1.00 0.00 C ATOM 416 NH1 ARG A 68 -14.000 2.626 -0.874 1.00 0.00 N ATOM 417 NH2 ARG A 68 -14.524 4.688 -0.015 1.00 0.00 N ATOM 0 H ARG A 68 -8.000 2.607 2.190 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.356 3.471 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.568 2.580 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.890 4.223 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.973 5.034 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.250 3.572 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.484 3.182 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.356 2.382 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.103 5.163 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.313 1.974 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.974 2.340 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.240 5.626 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.498 4.399 0.080 1.00 0.00 H new ATOM 431 N LYS A 69 -7.916 5.996 1.718 1.00 0.00 N ATOM 432 CA LYS A 69 -7.709 7.427 1.900 1.00 0.00 C ATOM 433 C LYS A 69 -6.226 7.747 2.057 1.00 0.00 C ATOM 434 O LYS A 69 -5.665 8.531 1.289 1.00 0.00 O ATOM 435 CB LYS A 69 -8.480 7.924 3.126 1.00 0.00 C ATOM 436 CG LYS A 69 -9.977 8.040 2.896 1.00 0.00 C ATOM 437 CD LYS A 69 -10.692 6.734 3.201 1.00 0.00 C ATOM 438 CE LYS A 69 -10.803 6.497 4.699 1.00 0.00 C ATOM 439 NZ LYS A 69 -11.954 7.231 5.293 1.00 0.00 N ATOM 0 H LYS A 69 -8.324 5.524 2.525 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.082 7.937 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.300 7.244 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.089 8.898 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.382 8.833 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.166 8.326 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.688 6.752 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.153 5.906 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.915 5.430 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.880 6.813 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.995 7.043 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.835 8.252 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.837 6.911 4.847 1.00 0.00 H new ATOM 453 N LEU A 70 -5.595 7.135 3.053 1.00 0.00 N ATOM 454 CA LEU A 70 -4.176 7.353 3.309 1.00 0.00 C ATOM 455 C LEU A 70 -3.403 7.500 2.002 1.00 0.00 C ATOM 456 O LEU A 70 -2.498 8.327 1.895 1.00 0.00 O ATOM 457 CB LEU A 70 -3.601 6.195 4.127 1.00 0.00 C ATOM 458 CG LEU A 70 -4.161 6.029 5.540 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.591 4.781 6.196 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.862 7.261 6.381 1.00 0.00 C ATOM 0 H LEU A 70 -6.044 6.484 3.697 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.073 8.278 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.772 5.269 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.522 6.328 4.199 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.243 5.916 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.001 4.679 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.858 3.905 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.506 4.863 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.268 7.125 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.783 7.406 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.320 8.136 5.920 1.00 0.00 H new ATOM 472 N MET A 71 -3.769 6.695 1.011 1.00 0.00 N ATOM 473 CA MET A 71 -3.112 6.738 -0.291 1.00 0.00 C ATOM 474 C MET A 71 -3.278 8.109 -0.938 1.00 0.00 C ATOM 475 O MET A 71 -2.308 8.849 -1.102 1.00 0.00 O ATOM 476 CB MET A 71 -3.682 5.655 -1.210 1.00 0.00 C ATOM 477 CG MET A 71 -3.241 4.249 -0.838 1.00 0.00 C ATOM 478 SD MET A 71 -1.575 3.868 -1.414 1.00 0.00 S ATOM 479 CE MET A 71 -0.598 4.439 -0.026 1.00 0.00 C ATOM 0 H MET A 71 -4.517 6.005 1.084 1.00 0.00 H new ATOM 0 HA MET A 71 -2.048 6.553 -0.140 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.771 5.704 -1.184 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.377 5.863 -2.236 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.282 4.134 0.245 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.941 3.529 -1.261 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.101 5.372 -0.291 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.248 4.605 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.150 3.688 0.226 1.00 0.00 H new ATOM 489 N MET A 72 -4.511 8.441 -1.303 1.00 0.00 N ATOM 490 CA MET A 72 -4.803 9.725 -1.932 1.00 0.00 C ATOM 491 C MET A 72 -4.140 10.867 -1.168 1.00 0.00 C ATOM 492 O MET A 72 -3.455 11.705 -1.756 1.00 0.00 O ATOM 493 CB MET A 72 -6.314 9.951 -2.001 1.00 0.00 C ATOM 494 CG MET A 72 -7.052 8.890 -2.801 1.00 0.00 C ATOM 495 SD MET A 72 -8.593 9.501 -3.510 1.00 0.00 S ATOM 496 CE MET A 72 -9.499 9.934 -2.028 1.00 0.00 C ATOM 0 H MET A 72 -5.325 7.840 -1.175 1.00 0.00 H new ATOM 0 HA MET A 72 -4.400 9.706 -2.944 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.716 9.975 -0.988 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.507 10.928 -2.444 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.406 8.530 -3.602 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.266 8.038 -2.156 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.519 10.211 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.519 9.080 -1.351 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.011 10.775 -1.536 1.00 0.00 H new ATOM 506 N LEU A 73 -4.348 10.894 0.144 1.00 0.00 N ATOM 507 CA LEU A 73 -3.771 11.934 0.988 1.00 0.00 C ATOM 508 C LEU A 73 -2.259 12.009 0.803 1.00 0.00 C ATOM 509 O LEU A 73 -1.663 13.082 0.906 1.00 0.00 O ATOM 510 CB LEU A 73 -4.103 11.669 2.458 1.00 0.00 C ATOM 511 CG LEU A 73 -5.529 12.008 2.895 1.00 0.00 C ATOM 512 CD1 LEU A 73 -5.876 11.286 4.188 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.692 13.512 3.061 1.00 0.00 C ATOM 0 H LEU A 73 -4.912 10.208 0.646 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.203 12.889 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.921 10.615 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.410 12.240 3.075 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.217 11.672 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.894 11.539 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.799 10.209 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.184 11.592 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.713 13.735 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.995 13.872 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.485 14.007 2.112 1.00 0.00 H new ATOM 525 N HIS A 74 -1.644 10.864 0.527 1.00 0.00 N ATOM 526 CA HIS A 74 -0.201 10.800 0.324 1.00 0.00 C ATOM 527 C HIS A 74 0.132 10.593 -1.151 1.00 0.00 C ATOM 528 O HIS A 74 1.183 10.051 -1.490 1.00 0.00 O ATOM 529 CB HIS A 74 0.403 9.670 1.158 1.00 0.00 C ATOM 530 CG HIS A 74 0.618 10.036 2.595 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.763 10.654 3.051 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.175 9.868 3.679 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.666 10.849 4.354 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.499 10.382 4.760 1.00 0.00 N ATOM 0 H HIS A 74 -2.122 9.967 0.439 1.00 0.00 H new ATOM 0 HA HIS A 74 0.228 11.749 0.646 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.253 8.801 1.107 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.357 9.376 0.720 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.560 10.919 2.473 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.155 9.414 3.692 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.414 11.312 4.981 1.00 0.00 H new ATOM 542 N GLY A 75 -0.773 11.028 -2.023 1.00 0.00 N ATOM 543 CA GLY A 75 -0.557 10.880 -3.451 1.00 0.00 C ATOM 544 C GLY A 75 -0.379 9.432 -3.864 1.00 0.00 C ATOM 545 O GLY A 75 0.586 9.088 -4.544 1.00 0.00 O ATOM 0 H GLY A 75 -1.651 11.480 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.403 11.307 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.326 11.449 -3.743 1.00 0.00 H new ATOM 549 N GLY A 76 -1.313 8.581 -3.449 1.00 0.00 N ATOM 550 CA GLY A 76 -1.235 7.172 -3.788 1.00 0.00 C ATOM 551 C GLY A 76 -2.343 6.740 -4.728 1.00 0.00 C ATOM 552 O GLY A 76 -3.111 7.569 -5.214 1.00 0.00 O ATOM 0 H GLY A 76 -2.121 8.842 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.270 6.965 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.285 6.578 -2.875 1.00 0.00 H new ATOM 556 N GLN A 77 -2.425 5.439 -4.985 1.00 0.00 N ATOM 557 CA GLN A 77 -3.446 4.899 -5.875 1.00 0.00 C ATOM 558 C GLN A 77 -4.105 3.667 -5.263 1.00 0.00 C ATOM 559 O GLN A 77 -3.458 2.885 -4.567 1.00 0.00 O ATOM 560 CB GLN A 77 -2.834 4.544 -7.231 1.00 0.00 C ATOM 561 CG GLN A 77 -2.543 5.755 -8.103 1.00 0.00 C ATOM 562 CD GLN A 77 -1.975 5.376 -9.457 1.00 0.00 C ATOM 563 OE1 GLN A 77 -2.455 4.445 -10.106 1.00 0.00 O ATOM 564 NE2 GLN A 77 -0.949 6.097 -9.892 1.00 0.00 N ATOM 0 H GLN A 77 -1.797 4.739 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.209 5.664 -6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.908 3.992 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.513 3.878 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.461 6.325 -8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.839 6.408 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.583 6.859 -9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.526 5.889 -10.797 1.00 0.00 H new ATOM 573 N TYR A 78 -5.397 3.502 -5.527 1.00 0.00 N ATOM 574 CA TYR A 78 -6.145 2.366 -5.000 1.00 0.00 C ATOM 575 C TYR A 78 -6.895 1.644 -6.115 1.00 0.00 C ATOM 576 O TYR A 78 -7.362 2.265 -7.070 1.00 0.00 O ATOM 577 CB TYR A 78 -7.129 2.832 -3.926 1.00 0.00 C ATOM 578 CG TYR A 78 -7.906 1.704 -3.286 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.080 1.229 -3.858 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.464 1.111 -2.109 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.792 0.199 -3.276 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.170 0.079 -1.521 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.333 -0.373 -2.108 1.00 0.00 C ATOM 584 OH TYR A 78 -10.040 -1.401 -1.526 1.00 0.00 O ATOM 0 H TYR A 78 -5.947 4.140 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.435 1.669 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.581 3.370 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.830 3.539 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.442 1.673 -4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.554 1.463 -1.646 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.704 -0.157 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.813 -0.371 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.423 -1.993 -1.047 1.00 0.00 H new ATOM 594 N HIS A 79 -7.007 0.325 -5.985 1.00 0.00 N ATOM 595 CA HIS A 79 -7.702 -0.484 -6.980 1.00 0.00 C ATOM 596 C HIS A 79 -8.739 -1.386 -6.319 1.00 0.00 C ATOM 597 O HIS A 79 -8.473 -2.003 -5.287 1.00 0.00 O ATOM 598 CB HIS A 79 -6.701 -1.331 -7.768 1.00 0.00 C ATOM 599 CG HIS A 79 -5.920 -0.549 -8.778 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.559 -0.691 -8.951 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.316 0.386 -9.674 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.152 0.124 -9.908 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.199 0.789 -10.363 1.00 0.00 N ATOM 0 H HIS A 79 -6.626 -0.205 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.216 0.190 -7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.008 -1.802 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.237 -2.133 -8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.323 0.747 -9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.136 0.229 -10.259 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.180 1.488 -11.105 1.00 0.00 H new ATOM 611 N VAL A 80 -9.924 -1.457 -6.919 1.00 0.00 N ATOM 612 CA VAL A 80 -11.001 -2.283 -6.388 1.00 0.00 C ATOM 613 C VAL A 80 -10.713 -3.765 -6.599 1.00 0.00 C ATOM 614 O VAL A 80 -10.997 -4.593 -5.734 1.00 0.00 O ATOM 615 CB VAL A 80 -12.350 -1.935 -7.045 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.472 -2.756 -6.428 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.636 -0.446 -6.919 1.00 0.00 C ATOM 0 H VAL A 80 -10.161 -0.952 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.061 -2.077 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.292 -2.182 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.417 -2.497 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.270 -3.817 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.534 -2.544 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.593 -0.218 -7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.674 -0.171 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.846 0.119 -7.413 1.00 0.00 H new ATOM 627 N TYR A 81 -10.145 -4.092 -7.755 1.00 0.00 N ATOM 628 CA TYR A 81 -9.819 -5.476 -8.081 1.00 0.00 C ATOM 629 C TYR A 81 -8.321 -5.640 -8.321 1.00 0.00 C ATOM 630 O TYR A 81 -7.625 -4.680 -8.651 1.00 0.00 O ATOM 631 CB TYR A 81 -10.598 -5.927 -9.318 1.00 0.00 C ATOM 632 CG TYR A 81 -10.605 -4.907 -10.434 1.00 0.00 C ATOM 633 CD1 TYR A 81 -9.612 -4.905 -11.406 1.00 0.00 C ATOM 634 CD2 TYR A 81 -11.605 -3.947 -10.518 1.00 0.00 C ATOM 635 CE1 TYR A 81 -9.614 -3.975 -12.427 1.00 0.00 C ATOM 636 CE2 TYR A 81 -11.616 -3.014 -11.537 1.00 0.00 C ATOM 637 CZ TYR A 81 -10.618 -3.032 -12.489 1.00 0.00 C ATOM 638 OH TYR A 81 -10.624 -2.104 -13.505 1.00 0.00 O ATOM 0 H TYR A 81 -9.901 -3.419 -8.481 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.103 -6.100 -7.234 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.167 -6.857 -9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.626 -6.145 -9.030 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.825 -5.643 -11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.388 -3.929 -9.774 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.833 -3.986 -13.173 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -12.402 -2.275 -11.588 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.399 -1.513 -13.404 1.00 0.00 H new ATOM 648 N TYR A 82 -7.833 -6.864 -8.153 1.00 0.00 N ATOM 649 CA TYR A 82 -6.418 -7.156 -8.349 1.00 0.00 C ATOM 650 C TYR A 82 -6.007 -6.913 -9.797 1.00 0.00 C ATOM 651 O TYR A 82 -6.765 -7.195 -10.725 1.00 0.00 O ATOM 652 CB TYR A 82 -6.116 -8.604 -7.958 1.00 0.00 C ATOM 653 CG TYR A 82 -4.794 -9.110 -8.487 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.613 -8.420 -8.240 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.724 -10.279 -9.236 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.403 -8.878 -8.723 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.518 -10.746 -9.721 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.360 -10.042 -9.462 1.00 0.00 C ATOM 659 OH TYR A 82 -1.157 -10.503 -9.945 1.00 0.00 O ATOM 0 H TYR A 82 -8.396 -7.670 -7.882 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.843 -6.486 -7.710 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.118 -8.686 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.916 -9.246 -8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.642 -7.509 -7.660 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.629 -10.832 -9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.495 -8.328 -8.523 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.482 -11.657 -10.300 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.302 -11.334 -10.443 1.00 0.00 H new ATOM 669 N SER A 83 -4.801 -6.386 -9.983 1.00 0.00 N ATOM 670 CA SER A 83 -4.289 -6.101 -11.318 1.00 0.00 C ATOM 671 C SER A 83 -2.809 -6.458 -11.420 1.00 0.00 C ATOM 672 O SER A 83 -2.048 -6.277 -10.469 1.00 0.00 O ATOM 673 CB SER A 83 -4.493 -4.624 -11.661 1.00 0.00 C ATOM 674 OG SER A 83 -5.789 -4.397 -12.188 1.00 0.00 O ATOM 0 H SER A 83 -4.160 -6.148 -9.226 1.00 0.00 H new ATOM 0 HA SER A 83 -4.843 -6.712 -12.031 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.349 -4.017 -10.767 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.742 -4.309 -12.385 1.00 0.00 H new ATOM 0 HG SER A 83 -5.953 -3.433 -12.248 1.00 0.00 H new ATOM 680 N ARG A 84 -2.408 -6.967 -12.580 1.00 0.00 N ATOM 681 CA ARG A 84 -1.020 -7.352 -12.807 1.00 0.00 C ATOM 682 C ARG A 84 -0.225 -6.192 -13.399 1.00 0.00 C ATOM 683 O ARG A 84 0.970 -6.048 -13.139 1.00 0.00 O ATOM 684 CB ARG A 84 -0.950 -8.561 -13.741 1.00 0.00 C ATOM 685 CG ARG A 84 -1.098 -9.893 -13.024 1.00 0.00 C ATOM 686 CD ARG A 84 -2.561 -10.251 -12.810 1.00 0.00 C ATOM 687 NE ARG A 84 -3.263 -10.463 -14.073 1.00 0.00 N ATOM 688 CZ ARG A 84 -4.475 -10.998 -14.159 1.00 0.00 C ATOM 689 NH1 ARG A 84 -5.117 -11.374 -13.061 1.00 0.00 N ATOM 690 NH2 ARG A 84 -5.049 -11.159 -15.345 1.00 0.00 N ATOM 0 H ARG A 84 -3.025 -7.122 -13.378 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.581 -7.619 -11.846 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.734 -8.474 -14.494 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.003 -8.546 -14.270 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.612 -10.676 -13.605 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.589 -9.848 -12.061 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.628 -11.153 -12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.052 -9.453 -12.252 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.797 -10.185 -14.936 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.680 -11.252 -12.148 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.048 -11.785 -13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.559 -10.872 -16.192 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.980 -11.570 -15.409 1.00 0.00 H new ATOM 704 N SER A 85 -0.895 -5.367 -14.198 1.00 0.00 N ATOM 705 CA SER A 85 -0.250 -4.223 -14.830 1.00 0.00 C ATOM 706 C SER A 85 -0.494 -2.949 -14.027 1.00 0.00 C ATOM 707 O SER A 85 0.445 -2.236 -13.670 1.00 0.00 O ATOM 708 CB SER A 85 -0.767 -4.045 -16.259 1.00 0.00 C ATOM 709 OG SER A 85 0.185 -3.375 -17.066 1.00 0.00 O ATOM 0 H SER A 85 -1.885 -5.470 -14.423 1.00 0.00 H new ATOM 0 HA SER A 85 0.823 -4.413 -14.860 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.993 -5.020 -16.691 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.698 -3.479 -16.244 1.00 0.00 H new ATOM 0 HG SER A 85 -0.169 -3.275 -17.975 1.00 0.00 H new ATOM 715 N LYS A 86 -1.762 -2.669 -13.744 1.00 0.00 N ATOM 716 CA LYS A 86 -2.132 -1.483 -12.982 1.00 0.00 C ATOM 717 C LYS A 86 -1.510 -1.515 -11.589 1.00 0.00 C ATOM 718 O LYS A 86 -0.579 -0.764 -11.296 1.00 0.00 O ATOM 719 CB LYS A 86 -3.655 -1.378 -12.869 1.00 0.00 C ATOM 720 CG LYS A 86 -4.335 -0.988 -14.170 1.00 0.00 C ATOM 721 CD LYS A 86 -5.704 -0.378 -13.922 1.00 0.00 C ATOM 722 CE LYS A 86 -6.618 -0.551 -15.126 1.00 0.00 C ATOM 723 NZ LYS A 86 -6.368 0.486 -16.165 1.00 0.00 N ATOM 0 H LYS A 86 -2.551 -3.248 -14.031 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.752 -0.609 -13.511 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.053 -2.336 -12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.905 -0.643 -12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.710 -0.276 -14.709 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.437 -1.867 -14.806 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.159 -0.845 -13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.595 0.683 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.468 -1.541 -15.557 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.658 -0.499 -14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.010 0.334 -16.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.536 1.430 -15.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.383 0.420 -16.492 1.00 0.00 H new ATOM 737 N THR A 87 -2.030 -2.390 -10.734 1.00 0.00 N ATOM 738 CA THR A 87 -1.526 -2.520 -9.373 1.00 0.00 C ATOM 739 C THR A 87 -0.041 -2.864 -9.367 1.00 0.00 C ATOM 740 O THR A 87 0.436 -3.619 -10.215 1.00 0.00 O ATOM 741 CB THR A 87 -2.295 -3.600 -8.589 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.688 -3.273 -8.543 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.752 -3.732 -7.174 1.00 0.00 C ATOM 0 H THR A 87 -2.800 -3.019 -10.960 1.00 0.00 H new ATOM 0 HA THR A 87 -1.675 -1.555 -8.888 1.00 0.00 H new ATOM 0 HB THR A 87 -2.163 -4.553 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.840 -2.424 -9.008 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.311 -4.501 -6.640 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.699 -4.010 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.857 -2.780 -6.654 1.00 0.00 H new ATOM 751 N THR A 88 0.688 -2.307 -8.405 1.00 0.00 N ATOM 752 CA THR A 88 2.120 -2.555 -8.289 1.00 0.00 C ATOM 753 C THR A 88 2.415 -3.563 -7.185 1.00 0.00 C ATOM 754 O THR A 88 3.267 -4.439 -7.341 1.00 0.00 O ATOM 755 CB THR A 88 2.894 -1.255 -8.002 1.00 0.00 C ATOM 756 OG1 THR A 88 2.345 -0.602 -6.852 1.00 0.00 O ATOM 757 CG2 THR A 88 2.839 -0.317 -9.198 1.00 0.00 C ATOM 0 H THR A 88 0.310 -1.681 -7.694 1.00 0.00 H new ATOM 0 HA THR A 88 2.449 -2.961 -9.246 1.00 0.00 H new ATOM 0 HB THR A 88 3.936 -1.513 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.795 -0.928 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.393 0.594 -8.971 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.284 -0.806 -10.065 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.801 -0.066 -9.416 1.00 0.00 H new ATOM 765 N HIS A 89 1.706 -3.436 -6.068 1.00 0.00 N ATOM 766 CA HIS A 89 1.892 -4.338 -4.937 1.00 0.00 C ATOM 767 C HIS A 89 0.550 -4.862 -4.433 1.00 0.00 C ATOM 768 O HIS A 89 -0.507 -4.386 -4.847 1.00 0.00 O ATOM 769 CB HIS A 89 2.632 -3.625 -3.805 1.00 0.00 C ATOM 770 CG HIS A 89 3.856 -2.891 -4.259 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.806 -1.751 -5.033 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.169 -3.139 -4.042 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.035 -1.331 -5.274 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.881 -2.155 -4.683 1.00 0.00 N ATOM 0 H HIS A 89 0.997 -2.717 -5.922 1.00 0.00 H new ATOM 0 HA HIS A 89 2.489 -5.185 -5.274 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.953 -2.920 -3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.917 -4.358 -3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.580 -3.958 -3.471 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.303 -0.461 -5.856 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.898 -2.074 -4.700 1.00 0.00 H new ATOM 782 N ILE A 90 0.602 -5.844 -3.539 1.00 0.00 N ATOM 783 CA ILE A 90 -0.609 -6.431 -2.980 1.00 0.00 C ATOM 784 C ILE A 90 -0.549 -6.466 -1.456 1.00 0.00 C ATOM 785 O ILE A 90 0.282 -7.164 -0.874 1.00 0.00 O ATOM 786 CB ILE A 90 -0.838 -7.859 -3.507 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.973 -7.848 -5.031 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.075 -8.470 -2.864 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.884 -9.223 -5.655 1.00 0.00 C ATOM 0 H ILE A 90 1.469 -6.249 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.440 -5.800 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 90 0.024 -8.471 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.928 -7.397 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.192 -7.215 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.223 -9.480 -3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.942 -8.508 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.947 -7.860 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.988 -9.139 -6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.082 -9.669 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.682 -9.853 -5.262 1.00 0.00 H new ATOM 801 N ILE A 91 -1.437 -5.712 -0.817 1.00 0.00 N ATOM 802 CA ILE A 91 -1.487 -5.660 0.639 1.00 0.00 C ATOM 803 C ILE A 91 -2.281 -6.833 1.204 1.00 0.00 C ATOM 804 O ILE A 91 -3.423 -7.070 0.810 1.00 0.00 O ATOM 805 CB ILE A 91 -2.115 -4.344 1.134 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.253 -3.152 0.710 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.282 -4.373 2.646 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.153 -3.195 1.266 1.00 0.00 C ATOM 0 H ILE A 91 -2.131 -5.129 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.457 -5.717 0.992 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.101 -4.235 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.204 -3.118 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.736 -2.231 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.727 -3.436 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.931 -5.203 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.307 -4.501 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.706 -2.320 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.114 -3.197 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.654 -4.099 0.919 1.00 0.00 H new ATOM 820 N ALA A 92 -1.670 -7.563 2.131 1.00 0.00 N ATOM 821 CA ALA A 92 -2.321 -8.708 2.754 1.00 0.00 C ATOM 822 C ALA A 92 -1.526 -9.206 3.956 1.00 0.00 C ATOM 823 O ALA A 92 -0.314 -9.410 3.871 1.00 0.00 O ATOM 824 CB ALA A 92 -2.504 -9.827 1.740 1.00 0.00 C ATOM 0 H ALA A 92 -0.724 -7.381 2.467 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.301 -8.388 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.991 -10.676 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.121 -9.473 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.531 -10.135 1.359 1.00 0.00 H new ATOM 830 N THR A 93 -2.214 -9.399 5.077 1.00 0.00 N ATOM 831 CA THR A 93 -1.571 -9.871 6.297 1.00 0.00 C ATOM 832 C THR A 93 -1.077 -11.304 6.139 1.00 0.00 C ATOM 833 O THR A 93 0.105 -11.588 6.332 1.00 0.00 O ATOM 834 CB THR A 93 -2.530 -9.801 7.500 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.438 -8.705 7.340 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.756 -9.639 8.800 1.00 0.00 C ATOM 0 H THR A 93 -3.217 -9.236 5.165 1.00 0.00 H new ATOM 0 HA THR A 93 -0.721 -9.214 6.480 1.00 0.00 H new ATOM 0 HB THR A 93 -3.092 -10.734 7.543 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.339 -9.049 7.167 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.454 -9.592 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.087 -10.489 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.171 -8.720 8.763 1.00 0.00 H new ATOM 844 N ASN A 94 -1.988 -12.204 5.785 1.00 0.00 N ATOM 845 CA ASN A 94 -1.644 -13.610 5.601 1.00 0.00 C ATOM 846 C ASN A 94 -2.541 -14.256 4.550 1.00 0.00 C ATOM 847 O ASN A 94 -3.745 -14.000 4.503 1.00 0.00 O ATOM 848 CB ASN A 94 -1.766 -14.364 6.927 1.00 0.00 C ATOM 849 CG ASN A 94 -3.194 -14.780 7.226 1.00 0.00 C ATOM 850 OD1 ASN A 94 -4.107 -13.955 7.216 1.00 0.00 O ATOM 851 ND2 ASN A 94 -3.392 -16.065 7.494 1.00 0.00 N ATOM 0 H ASN A 94 -2.970 -11.985 5.620 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.612 -13.664 5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.131 -15.249 6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.397 -13.733 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.331 -16.404 7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -2.605 -16.714 7.491 1.00 0.00 H new ATOM 858 N LEU A 95 -1.947 -15.096 3.709 1.00 0.00 N ATOM 859 CA LEU A 95 -2.692 -15.781 2.658 1.00 0.00 C ATOM 860 C LEU A 95 -2.461 -17.287 2.721 1.00 0.00 C ATOM 861 O LEU A 95 -1.368 -17.761 3.031 1.00 0.00 O ATOM 862 CB LEU A 95 -2.281 -15.248 1.285 1.00 0.00 C ATOM 863 CG LEU A 95 -2.470 -13.746 1.064 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.739 -13.296 -0.191 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.950 -13.402 0.974 1.00 0.00 C ATOM 0 H LEU A 95 -0.952 -15.319 3.734 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.753 -15.588 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.230 -15.489 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.851 -15.781 0.525 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.046 -13.216 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.884 -12.225 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.675 -13.507 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.133 -13.833 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.065 -12.330 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.399 -13.941 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.447 -13.688 1.901 1.00 0.00 H new ATOM 877 N PRO A 96 -3.515 -18.060 2.418 1.00 0.00 N ATOM 878 CA PRO A 96 -3.451 -19.525 2.430 1.00 0.00 C ATOM 879 C PRO A 96 -2.595 -20.078 1.296 1.00 0.00 C ATOM 880 O PRO A 96 -2.229 -19.352 0.373 1.00 0.00 O ATOM 881 CB PRO A 96 -4.913 -19.945 2.251 1.00 0.00 C ATOM 882 CG PRO A 96 -5.552 -18.798 1.546 1.00 0.00 C ATOM 883 CD PRO A 96 -4.849 -17.564 2.040 1.00 0.00 C ATOM 0 HA PRO A 96 -2.992 -19.905 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.993 -20.863 1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.391 -20.135 3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.450 -18.899 0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.619 -18.752 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.789 -16.799 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.368 -17.119 2.889 1.00 0.00 H new ATOM 891 N ASN A 97 -2.280 -21.367 1.373 1.00 0.00 N ATOM 892 CA ASN A 97 -1.467 -22.017 0.352 1.00 0.00 C ATOM 893 C ASN A 97 -2.021 -21.742 -1.043 1.00 0.00 C ATOM 894 O ASN A 97 -1.268 -21.506 -1.986 1.00 0.00 O ATOM 895 CB ASN A 97 -1.407 -23.525 0.601 1.00 0.00 C ATOM 896 CG ASN A 97 -2.780 -24.127 0.831 1.00 0.00 C ATOM 897 OD1 ASN A 97 -3.306 -24.096 1.943 1.00 0.00 O ATOM 898 ND2 ASN A 97 -3.367 -24.681 -0.224 1.00 0.00 N ATOM 0 H ASN A 97 -2.575 -21.982 2.132 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.459 -21.606 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.937 -24.013 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.776 -23.723 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.291 -25.103 -0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.894 -24.684 -1.128 1.00 0.00 H new ATOM 905 N ALA A 98 -3.345 -21.773 -1.164 1.00 0.00 N ATOM 906 CA ALA A 98 -4.001 -21.525 -2.441 1.00 0.00 C ATOM 907 C ALA A 98 -3.666 -20.134 -2.969 1.00 0.00 C ATOM 908 O ALA A 98 -3.133 -19.988 -4.070 1.00 0.00 O ATOM 909 CB ALA A 98 -5.507 -21.690 -2.301 1.00 0.00 C ATOM 0 H ALA A 98 -3.983 -21.967 -0.393 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.632 -22.256 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.985 -21.502 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.733 -22.706 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.884 -20.981 -1.564 1.00 0.00 H new ATOM 915 N LYS A 99 -3.982 -19.114 -2.179 1.00 0.00 N ATOM 916 CA LYS A 99 -3.714 -17.734 -2.566 1.00 0.00 C ATOM 917 C LYS A 99 -2.251 -17.553 -2.957 1.00 0.00 C ATOM 918 O LYS A 99 -1.946 -17.080 -4.052 1.00 0.00 O ATOM 919 CB LYS A 99 -4.069 -16.784 -1.420 1.00 0.00 C ATOM 920 CG LYS A 99 -5.527 -16.360 -1.410 1.00 0.00 C ATOM 921 CD LYS A 99 -5.752 -15.114 -2.250 1.00 0.00 C ATOM 922 CE LYS A 99 -7.206 -14.985 -2.678 1.00 0.00 C ATOM 923 NZ LYS A 99 -8.108 -14.758 -1.515 1.00 0.00 N ATOM 0 H LYS A 99 -4.425 -19.217 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.334 -17.498 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.834 -17.268 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.442 -15.895 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.146 -17.173 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.845 -16.171 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.460 -14.232 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.114 -15.149 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.306 -14.159 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.512 -15.890 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.066 -14.541 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.136 -15.614 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.752 -13.960 -0.950 1.00 0.00 H new ATOM 937 N ILE A 100 -1.351 -17.932 -2.056 1.00 0.00 N ATOM 938 CA ILE A 100 0.079 -17.813 -2.309 1.00 0.00 C ATOM 939 C ILE A 100 0.429 -18.278 -3.719 1.00 0.00 C ATOM 940 O ILE A 100 0.991 -17.523 -4.512 1.00 0.00 O ATOM 941 CB ILE A 100 0.900 -18.630 -1.293 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.654 -18.114 0.126 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.381 -18.566 -1.636 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.791 -19.182 1.189 1.00 0.00 C ATOM 0 H ILE A 100 -1.587 -18.324 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 100 0.331 -16.758 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 100 0.580 -19.671 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.357 -17.309 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.347 -17.685 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.948 -19.148 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.541 -18.975 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.716 -17.529 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.603 -18.745 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.069 -19.977 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.800 -19.594 1.163 1.00 0.00 H new ATOM 956 N LYS A 101 0.090 -19.526 -4.025 1.00 0.00 N ATOM 957 CA LYS A 101 0.364 -20.092 -5.341 1.00 0.00 C ATOM 958 C LYS A 101 -0.135 -19.167 -6.446 1.00 0.00 C ATOM 959 O LYS A 101 0.568 -18.921 -7.426 1.00 0.00 O ATOM 960 CB LYS A 101 -0.296 -21.466 -5.475 1.00 0.00 C ATOM 961 CG LYS A 101 0.364 -22.360 -6.510 1.00 0.00 C ATOM 962 CD LYS A 101 -0.562 -23.480 -6.952 1.00 0.00 C ATOM 963 CE LYS A 101 0.219 -24.710 -7.390 1.00 0.00 C ATOM 964 NZ LYS A 101 -0.679 -25.859 -7.692 1.00 0.00 N ATOM 0 H LYS A 101 -0.375 -20.165 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 101 1.444 -20.202 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.273 -21.967 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.345 -21.332 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.654 -21.764 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.278 -22.785 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.231 -23.745 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.187 -23.133 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.810 -24.469 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.920 -24.994 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.109 -26.677 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.225 -26.106 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.331 -25.598 -8.459 1.00 0.00 H new ATOM 978 N GLU A 102 -1.351 -18.656 -6.281 1.00 0.00 N ATOM 979 CA GLU A 102 -1.942 -17.757 -7.266 1.00 0.00 C ATOM 980 C GLU A 102 -1.102 -16.493 -7.420 1.00 0.00 C ATOM 981 O GLU A 102 -0.846 -16.036 -8.536 1.00 0.00 O ATOM 982 CB GLU A 102 -3.370 -17.388 -6.860 1.00 0.00 C ATOM 983 CG GLU A 102 -4.005 -16.338 -7.756 1.00 0.00 C ATOM 984 CD GLU A 102 -4.189 -16.822 -9.181 1.00 0.00 C ATOM 985 OE1 GLU A 102 -5.133 -17.601 -9.427 1.00 0.00 O ATOM 986 OE2 GLU A 102 -3.389 -16.419 -10.051 1.00 0.00 O ATOM 0 H GLU A 102 -1.946 -18.849 -5.475 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.968 -18.275 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.987 -18.287 -6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.364 -17.022 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.973 -16.053 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.383 -15.443 -7.758 1.00 0.00 H new ATOM 993 N LEU A 103 -0.677 -15.930 -6.294 1.00 0.00 N ATOM 994 CA LEU A 103 0.133 -14.717 -6.303 1.00 0.00 C ATOM 995 C LEU A 103 1.612 -15.052 -6.467 1.00 0.00 C ATOM 996 O LEU A 103 2.480 -14.357 -5.936 1.00 0.00 O ATOM 997 CB LEU A 103 -0.083 -13.927 -5.012 1.00 0.00 C ATOM 998 CG LEU A 103 -1.528 -13.536 -4.697 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.612 -12.845 -3.346 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.089 -12.641 -5.792 1.00 0.00 C ATOM 0 H LEU A 103 -0.880 -16.294 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.179 -14.107 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.302 -14.517 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.516 -13.017 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.129 -14.445 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.647 -12.574 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.251 -13.519 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.997 -11.945 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.118 -12.373 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.486 -11.736 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.066 -13.172 -6.744 1.00 0.00 H new ATOM 1012 N LYS A 104 1.894 -16.119 -7.206 1.00 0.00 N ATOM 1013 CA LYS A 104 3.268 -16.545 -7.444 1.00 0.00 C ATOM 1014 C LYS A 104 4.107 -15.395 -7.992 1.00 0.00 C ATOM 1015 O LYS A 104 3.769 -14.799 -9.014 1.00 0.00 O ATOM 1016 CB LYS A 104 3.297 -17.723 -8.421 1.00 0.00 C ATOM 1017 CG LYS A 104 2.451 -17.504 -9.663 1.00 0.00 C ATOM 1018 CD LYS A 104 1.864 -18.808 -10.175 1.00 0.00 C ATOM 1019 CE LYS A 104 0.637 -18.565 -11.040 1.00 0.00 C ATOM 1020 NZ LYS A 104 1.003 -18.293 -12.458 1.00 0.00 N ATOM 0 H LYS A 104 1.188 -16.706 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 104 3.694 -16.861 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.328 -17.909 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.948 -18.619 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.645 -16.805 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.060 -17.047 -10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.617 -19.345 -10.752 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.596 -19.444 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.018 -19.435 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.073 -17.721 -10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.139 -18.133 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.607 -17.448 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.519 -19.109 -12.846 1.00 0.00 H new ATOM 1034 N GLY A 105 5.204 -15.089 -7.306 1.00 0.00 N ATOM 1035 CA GLY A 105 6.075 -14.012 -7.741 1.00 0.00 C ATOM 1036 C GLY A 105 5.620 -12.658 -7.233 1.00 0.00 C ATOM 1037 O GLY A 105 6.437 -11.841 -6.811 1.00 0.00 O ATOM 0 H GLY A 105 5.505 -15.567 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.089 -14.206 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.111 -13.995 -8.830 1.00 0.00 H new ATOM 1041 N GLU A 106 4.313 -12.420 -7.276 1.00 0.00 N ATOM 1042 CA GLU A 106 3.753 -11.154 -6.819 1.00 0.00 C ATOM 1043 C GLU A 106 4.431 -10.692 -5.533 1.00 0.00 C ATOM 1044 O GLU A 106 5.091 -11.474 -4.849 1.00 0.00 O ATOM 1045 CB GLU A 106 2.245 -11.290 -6.593 1.00 0.00 C ATOM 1046 CG GLU A 106 1.440 -11.352 -7.881 1.00 0.00 C ATOM 1047 CD GLU A 106 1.926 -12.440 -8.820 1.00 0.00 C ATOM 1048 OE1 GLU A 106 2.861 -12.174 -9.603 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.369 -13.557 -8.771 1.00 0.00 O ATOM 0 H GLU A 106 3.623 -13.087 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 106 3.932 -10.407 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.053 -12.191 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.898 -10.446 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.391 -11.526 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.496 -10.388 -8.387 1.00 0.00 H new ATOM 1056 N LYS A 107 4.264 -9.414 -5.209 1.00 0.00 N ATOM 1057 CA LYS A 107 4.858 -8.845 -4.006 1.00 0.00 C ATOM 1058 C LYS A 107 3.795 -8.590 -2.942 1.00 0.00 C ATOM 1059 O LYS A 107 3.064 -7.602 -3.005 1.00 0.00 O ATOM 1060 CB LYS A 107 5.585 -7.539 -4.339 1.00 0.00 C ATOM 1061 CG LYS A 107 6.662 -7.696 -5.397 1.00 0.00 C ATOM 1062 CD LYS A 107 7.623 -6.519 -5.393 1.00 0.00 C ATOM 1063 CE LYS A 107 8.802 -6.758 -6.324 1.00 0.00 C ATOM 1064 NZ LYS A 107 9.680 -5.560 -6.426 1.00 0.00 N ATOM 0 H LYS A 107 3.721 -8.752 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 107 5.577 -9.563 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.856 -6.804 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.036 -7.142 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.215 -8.619 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.198 -7.785 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.095 -5.616 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.987 -6.349 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.384 -7.605 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.434 -7.024 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.314 -5.663 -7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.094 -4.709 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.247 -5.470 -5.559 1.00 0.00 H new ATOM 1078 N VAL A 108 3.716 -9.488 -1.964 1.00 0.00 N ATOM 1079 CA VAL A 108 2.744 -9.359 -0.885 1.00 0.00 C ATOM 1080 C VAL A 108 3.328 -8.583 0.291 1.00 0.00 C ATOM 1081 O VAL A 108 3.993 -9.155 1.155 1.00 0.00 O ATOM 1082 CB VAL A 108 2.268 -10.738 -0.391 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.205 -10.581 0.686 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.743 -11.568 -1.553 1.00 0.00 C ATOM 0 H VAL A 108 4.313 -10.312 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 108 1.892 -8.813 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 108 3.118 -11.262 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.880 -11.565 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.620 -10.027 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.352 -10.038 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.411 -12.539 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.905 -11.051 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.536 -11.710 -2.287 1.00 0.00 H new ATOM 1094 N ILE A 109 3.074 -7.279 0.317 1.00 0.00 N ATOM 1095 CA ILE A 109 3.573 -6.426 1.387 1.00 0.00 C ATOM 1096 C ILE A 109 2.531 -6.259 2.488 1.00 0.00 C ATOM 1097 O ILE A 109 1.343 -6.094 2.212 1.00 0.00 O ATOM 1098 CB ILE A 109 3.973 -5.035 0.859 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.930 -5.172 -0.327 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.608 -4.210 1.968 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.169 -5.981 -0.013 1.00 0.00 C ATOM 0 H ILE A 109 2.526 -6.791 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 109 4.456 -6.918 1.796 1.00 0.00 H new ATOM 0 HB ILE A 109 3.075 -4.519 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.402 -5.639 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.229 -4.178 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.885 -3.230 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.896 -4.089 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.499 -4.719 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.801 -6.037 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.720 -5.503 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.879 -6.987 0.290 1.00 0.00 H new ATOM 1113 N ARG A 110 2.985 -6.301 3.737 1.00 0.00 N ATOM 1114 CA ARG A 110 2.092 -6.153 4.880 1.00 0.00 C ATOM 1115 C ARG A 110 1.484 -4.754 4.918 1.00 0.00 C ATOM 1116 O ARG A 110 2.040 -3.794 4.384 1.00 0.00 O ATOM 1117 CB ARG A 110 2.847 -6.428 6.182 1.00 0.00 C ATOM 1118 CG ARG A 110 3.066 -7.907 6.458 1.00 0.00 C ATOM 1119 CD ARG A 110 3.777 -8.126 7.784 1.00 0.00 C ATOM 1120 NE ARG A 110 4.139 -9.527 7.986 1.00 0.00 N ATOM 1121 CZ ARG A 110 3.287 -10.451 8.416 1.00 0.00 C ATOM 1122 NH1 ARG A 110 2.031 -10.125 8.688 1.00 0.00 N ATOM 1123 NH2 ARG A 110 3.692 -11.705 8.575 1.00 0.00 N ATOM 0 H ARG A 110 3.966 -6.436 3.983 1.00 0.00 H new ATOM 0 HA ARG A 110 1.285 -6.878 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.814 -5.927 6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.294 -5.990 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.106 -8.422 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.654 -8.346 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.676 -7.511 7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.133 -7.797 8.599 1.00 0.00 H new ATOM 0 HE ARG A 110 5.098 -9.811 7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.716 -9.162 8.567 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.379 -10.837 9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.658 -11.959 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.038 -12.414 8.905 1.00 0.00 H new ATOM 1137 N PRO A 111 0.314 -4.635 5.562 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.396 -3.358 5.685 1.00 0.00 C ATOM 1139 C PRO A 111 0.324 -2.381 6.608 1.00 0.00 C ATOM 1140 O PRO A 111 -0.110 -1.244 6.783 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.747 -3.759 6.281 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.479 -5.033 7.005 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.406 -5.738 6.221 1.00 0.00 C ATOM 0 HA PRO A 111 -0.473 -2.841 4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.125 -2.992 6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.498 -3.896 5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.152 -4.840 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.380 -5.643 7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.252 -6.316 6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.829 -6.432 5.495 1.00 0.00 H new ATOM 1151 N GLU A 112 1.428 -2.834 7.196 1.00 0.00 N ATOM 1152 CA GLU A 112 2.207 -1.998 8.102 1.00 0.00 C ATOM 1153 C GLU A 112 3.198 -1.134 7.328 1.00 0.00 C ATOM 1154 O GLU A 112 3.560 -0.042 7.766 1.00 0.00 O ATOM 1155 CB GLU A 112 2.955 -2.866 9.116 1.00 0.00 C ATOM 1156 CG GLU A 112 2.073 -3.386 10.239 1.00 0.00 C ATOM 1157 CD GLU A 112 2.867 -3.776 11.471 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.681 -4.718 11.380 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.673 -3.138 12.528 1.00 0.00 O ATOM 0 H GLU A 112 1.802 -3.773 7.061 1.00 0.00 H new ATOM 0 HA GLU A 112 1.517 -1.343 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.404 -3.712 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.772 -2.286 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.345 -2.621 10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.511 -4.250 9.884 1.00 0.00 H new ATOM 1166 N TRP A 113 3.633 -1.631 6.176 1.00 0.00 N ATOM 1167 CA TRP A 113 4.583 -0.905 5.340 1.00 0.00 C ATOM 1168 C TRP A 113 4.035 0.466 4.959 1.00 0.00 C ATOM 1169 O TRP A 113 4.796 1.411 4.749 1.00 0.00 O ATOM 1170 CB TRP A 113 4.902 -1.709 4.079 1.00 0.00 C ATOM 1171 CG TRP A 113 5.642 -0.919 3.042 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.873 -0.342 3.175 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.197 -0.618 1.715 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.219 0.300 2.011 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.208 0.145 1.099 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.043 -0.920 0.987 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.098 0.609 -0.209 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 3.935 -0.458 -0.311 1.00 0.00 C ATOM 1179 CH2 TRP A 113 4.958 0.298 -0.899 1.00 0.00 C ATOM 0 H TRP A 113 3.343 -2.534 5.799 1.00 0.00 H new ATOM 0 HA TRP A 113 5.499 -0.763 5.913 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.496 -2.581 4.353 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.972 -2.079 3.648 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.484 -0.384 4.064 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.088 0.810 1.851 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.250 -1.504 1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 6.884 1.194 -0.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.047 -0.684 -0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.844 0.642 -1.916 1.00 0.00 H new ATOM 1190 N ILE A 114 2.713 0.567 4.871 1.00 0.00 N ATOM 1191 CA ILE A 114 2.065 1.823 4.516 1.00 0.00 C ATOM 1192 C ILE A 114 1.717 2.633 5.760 1.00 0.00 C ATOM 1193 O ILE A 114 1.966 3.837 5.820 1.00 0.00 O ATOM 1194 CB ILE A 114 0.783 1.584 3.697 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.122 0.926 2.358 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.042 2.894 3.477 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.092 0.623 1.509 1.00 0.00 C ATOM 0 H ILE A 114 2.070 -0.206 5.041 1.00 0.00 H new ATOM 0 HA ILE A 114 2.775 2.383 3.908 1.00 0.00 H new ATOM 0 HB ILE A 114 0.133 0.912 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.791 1.581 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.665 -0.000 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.862 2.708 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.228 3.325 4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.684 3.589 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.224 0.158 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.752 -0.057 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.624 1.549 1.291 1.00 0.00 H new ATOM 1209 N VAL A 115 1.140 1.963 6.753 1.00 0.00 N ATOM 1210 CA VAL A 115 0.760 2.619 7.998 1.00 0.00 C ATOM 1211 C VAL A 115 1.959 3.297 8.650 1.00 0.00 C ATOM 1212 O VAL A 115 1.920 4.488 8.957 1.00 0.00 O ATOM 1213 CB VAL A 115 0.145 1.619 8.995 1.00 0.00 C ATOM 1214 CG1 VAL A 115 -0.220 2.317 10.296 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -1.072 0.940 8.385 1.00 0.00 C ATOM 0 H VAL A 115 0.926 0.966 6.719 1.00 0.00 H new ATOM 0 HA VAL A 115 0.014 3.372 7.744 1.00 0.00 H new ATOM 0 HB VAL A 115 0.887 0.852 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.653 1.594 10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.676 2.752 10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.945 3.106 10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.494 0.237 9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.819 1.692 8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.776 0.404 7.483 1.00 0.00 H new ATOM 1225 N GLU A 116 3.025 2.530 8.860 1.00 0.00 N ATOM 1226 CA GLU A 116 4.236 3.058 9.476 1.00 0.00 C ATOM 1227 C GLU A 116 4.788 4.232 8.673 1.00 0.00 C ATOM 1228 O GLU A 116 5.135 5.272 9.233 1.00 0.00 O ATOM 1229 CB GLU A 116 5.296 1.961 9.591 1.00 0.00 C ATOM 1230 CG GLU A 116 4.957 0.891 10.615 1.00 0.00 C ATOM 1231 CD GLU A 116 5.477 1.223 12.000 1.00 0.00 C ATOM 1232 OE1 GLU A 116 6.608 1.742 12.100 1.00 0.00 O ATOM 1233 OE2 GLU A 116 4.753 0.963 12.984 1.00 0.00 O ATOM 0 H GLU A 116 3.074 1.542 8.613 1.00 0.00 H new ATOM 0 HA GLU A 116 3.980 3.412 10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.427 1.491 8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.250 2.416 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.875 0.764 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.377 -0.062 10.292 1.00 0.00 H new ATOM 1240 N SER A 117 4.867 4.057 7.358 1.00 0.00 N ATOM 1241 CA SER A 117 5.381 5.100 6.478 1.00 0.00 C ATOM 1242 C SER A 117 4.654 6.420 6.717 1.00 0.00 C ATOM 1243 O SER A 117 5.257 7.492 6.660 1.00 0.00 O ATOM 1244 CB SER A 117 5.232 4.680 5.014 1.00 0.00 C ATOM 1245 OG SER A 117 6.148 3.650 4.683 1.00 0.00 O ATOM 0 H SER A 117 4.582 3.203 6.878 1.00 0.00 H new ATOM 0 HA SER A 117 6.438 5.242 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.213 4.337 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.399 5.541 4.367 1.00 0.00 H new ATOM 0 HG SER A 117 5.758 2.780 4.909 1.00 0.00 H new ATOM 1251 N ILE A 118 3.356 6.332 6.983 1.00 0.00 N ATOM 1252 CA ILE A 118 2.546 7.519 7.232 1.00 0.00 C ATOM 1253 C ILE A 118 2.875 8.134 8.588 1.00 0.00 C ATOM 1254 O ILE A 118 3.199 9.318 8.683 1.00 0.00 O ATOM 1255 CB ILE A 118 1.041 7.195 7.179 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.670 6.615 5.812 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.221 8.442 7.472 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.505 5.664 5.859 1.00 0.00 C ATOM 0 H ILE A 118 2.842 5.452 7.032 1.00 0.00 H new ATOM 0 HA ILE A 118 2.783 8.234 6.444 1.00 0.00 H new ATOM 0 HB ILE A 118 0.817 6.449 7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.438 7.433 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.534 6.093 5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.840 8.197 7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.469 8.816 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.446 9.208 6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.712 5.292 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.269 4.826 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.382 6.188 6.240 1.00 0.00 H new ATOM 1270 N LYS A 119 2.791 7.322 9.636 1.00 0.00 N ATOM 1271 CA LYS A 119 3.082 7.784 10.988 1.00 0.00 C ATOM 1272 C LYS A 119 4.471 8.411 11.061 1.00 0.00 C ATOM 1273 O LYS A 119 4.662 9.445 11.700 1.00 0.00 O ATOM 1274 CB LYS A 119 2.983 6.622 11.979 1.00 0.00 C ATOM 1275 CG LYS A 119 1.565 6.118 12.184 1.00 0.00 C ATOM 1276 CD LYS A 119 1.546 4.802 12.942 1.00 0.00 C ATOM 1277 CE LYS A 119 0.258 4.632 13.733 1.00 0.00 C ATOM 1278 NZ LYS A 119 0.355 5.242 15.089 1.00 0.00 N ATOM 0 H LYS A 119 2.523 6.340 9.575 1.00 0.00 H new ATOM 0 HA LYS A 119 2.345 8.543 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.605 5.799 11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.390 6.939 12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.989 6.863 12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.080 5.989 11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.655 3.975 12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.399 4.759 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.567 5.090 13.187 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.027 3.571 13.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.542 5.105 15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.125 4.788 15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.550 6.260 14.999 1.00 0.00 H new ATOM 1292 N ALA A 120 5.436 7.779 10.401 1.00 0.00 N ATOM 1293 CA ALA A 120 6.806 8.278 10.389 1.00 0.00 C ATOM 1294 C ALA A 120 6.935 9.506 9.495 1.00 0.00 C ATOM 1295 O ALA A 120 7.738 10.399 9.763 1.00 0.00 O ATOM 1296 CB ALA A 120 7.761 7.186 9.930 1.00 0.00 C ATOM 0 H ALA A 120 5.295 6.921 9.868 1.00 0.00 H new ATOM 0 HA ALA A 120 7.069 8.572 11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.780 7.572 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.697 6.337 10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.490 6.865 8.924 1.00 0.00 H new ATOM 1302 N GLY A 121 6.139 9.545 8.431 1.00 0.00 N ATOM 1303 CA GLY A 121 6.181 10.669 7.514 1.00 0.00 C ATOM 1304 C GLY A 121 7.157 10.451 6.375 1.00 0.00 C ATOM 1305 O GLY A 121 7.683 11.409 5.808 1.00 0.00 O ATOM 0 H GLY A 121 5.466 8.818 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.184 10.839 7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.460 11.570 8.061 1.00 0.00 H new ATOM 1309 N ARG A 122 7.401 9.189 6.040 1.00 0.00 N ATOM 1310 CA ARG A 122 8.323 8.848 4.963 1.00 0.00 C ATOM 1311 C ARG A 122 8.080 7.426 4.468 1.00 0.00 C ATOM 1312 O ARG A 122 7.340 6.659 5.087 1.00 0.00 O ATOM 1313 CB ARG A 122 9.770 8.995 5.437 1.00 0.00 C ATOM 1314 CG ARG A 122 10.228 7.871 6.353 1.00 0.00 C ATOM 1315 CD ARG A 122 11.742 7.737 6.356 1.00 0.00 C ATOM 1316 NE ARG A 122 12.399 8.953 6.829 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.697 9.193 6.678 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.472 8.306 6.071 1.00 0.00 N ATOM 1319 NH2 ARG A 122 14.220 10.324 7.135 1.00 0.00 N ATOM 0 H ARG A 122 6.973 8.385 6.499 1.00 0.00 H new ATOM 0 HA ARG A 122 8.147 9.536 4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.426 9.034 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 122 9.877 9.945 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.876 8.061 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.779 6.932 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.030 6.899 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.087 7.507 5.348 1.00 0.00 H new ATOM 0 HE ARG A 122 11.830 9.656 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.072 7.436 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.468 8.493 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.625 11.009 7.602 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.216 10.508 7.019 1.00 0.00 H new ATOM 1333 N LEU A 123 8.706 7.079 3.349 1.00 0.00 N ATOM 1334 CA LEU A 123 8.558 5.748 2.770 1.00 0.00 C ATOM 1335 C LEU A 123 9.585 4.783 3.354 1.00 0.00 C ATOM 1336 O LEU A 123 10.788 5.047 3.326 1.00 0.00 O ATOM 1337 CB LEU A 123 8.708 5.812 1.250 1.00 0.00 C ATOM 1338 CG LEU A 123 7.949 4.750 0.455 1.00 0.00 C ATOM 1339 CD1 LEU A 123 8.228 4.895 -1.033 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.322 3.355 0.935 1.00 0.00 C ATOM 0 H LEU A 123 9.321 7.701 2.824 1.00 0.00 H new ATOM 0 HA LEU A 123 7.561 5.381 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.377 6.794 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.767 5.732 1.006 1.00 0.00 H new ATOM 0 HG LEU A 123 6.881 4.896 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.679 4.130 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.909 5.882 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.296 4.777 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.772 2.612 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.392 3.198 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.069 3.254 1.990 1.00 0.00 H new ATOM 1352 N LEU A 124 9.103 3.662 3.880 1.00 0.00 N ATOM 1353 CA LEU A 124 9.980 2.655 4.469 1.00 0.00 C ATOM 1354 C LEU A 124 10.281 1.544 3.468 1.00 0.00 C ATOM 1355 O LEU A 124 9.735 1.523 2.365 1.00 0.00 O ATOM 1356 CB LEU A 124 9.339 2.065 5.726 1.00 0.00 C ATOM 1357 CG LEU A 124 8.946 3.066 6.812 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.240 2.359 7.960 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.171 3.814 7.317 1.00 0.00 C ATOM 0 H LEU A 124 8.111 3.427 3.911 1.00 0.00 H new ATOM 0 HA LEU A 124 10.918 3.139 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.447 1.512 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.032 1.344 6.159 1.00 0.00 H new ATOM 0 HG LEU A 124 8.256 3.790 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.968 3.088 8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.340 1.870 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.906 1.612 8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.872 4.522 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.885 3.103 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 124 10.635 4.353 6.491 1.00 0.00 H new ATOM 1371 N SER A 125 11.153 0.621 3.862 1.00 0.00 N ATOM 1372 CA SER A 125 11.528 -0.493 2.999 1.00 0.00 C ATOM 1373 C SER A 125 10.364 -1.465 2.828 1.00 0.00 C ATOM 1374 O SER A 125 9.502 -1.576 3.699 1.00 0.00 O ATOM 1375 CB SER A 125 12.740 -1.227 3.576 1.00 0.00 C ATOM 1376 OG SER A 125 12.509 -1.614 4.920 1.00 0.00 O ATOM 0 H SER A 125 11.613 0.623 4.773 1.00 0.00 H new ATOM 0 HA SER A 125 11.788 -0.090 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.957 -2.108 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.618 -0.582 3.525 1.00 0.00 H new ATOM 0 HG SER A 125 13.345 -1.937 5.316 1.00 0.00 H new ATOM 1382 N TYR A 126 10.348 -2.165 1.700 1.00 0.00 N ATOM 1383 CA TYR A 126 9.289 -3.126 1.412 1.00 0.00 C ATOM 1384 C TYR A 126 9.832 -4.552 1.417 1.00 0.00 C ATOM 1385 O TYR A 126 9.077 -5.514 1.563 1.00 0.00 O ATOM 1386 CB TYR A 126 8.646 -2.818 0.059 1.00 0.00 C ATOM 1387 CG TYR A 126 9.448 -3.317 -1.121 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.552 -4.677 -1.389 1.00 0.00 C ATOM 1389 CD2 TYR A 126 10.103 -2.431 -1.967 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.285 -5.138 -2.466 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.836 -2.883 -3.046 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.924 -4.237 -3.292 1.00 0.00 C ATOM 1393 OH TYR A 126 11.655 -4.692 -4.365 1.00 0.00 O ATOM 0 H TYR A 126 11.056 -2.086 0.970 1.00 0.00 H new ATOM 0 HA TYR A 126 8.534 -3.041 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.653 -3.266 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.512 -1.740 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.052 -5.385 -0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 126 10.038 -1.370 -1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.357 -6.198 -2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 126 11.338 -2.180 -3.694 1.00 0.00 H new ATOM 0 HH TYR A 126 12.040 -3.930 -4.846 1.00 0.00 H new ATOM 1403 N ILE A 127 11.144 -4.679 1.256 1.00 0.00 N ATOM 1404 CA ILE A 127 11.789 -5.986 1.243 1.00 0.00 C ATOM 1405 C ILE A 127 11.416 -6.795 2.481 1.00 0.00 C ATOM 1406 O ILE A 127 10.863 -7.892 2.392 1.00 0.00 O ATOM 1407 CB ILE A 127 13.322 -5.857 1.172 1.00 0.00 C ATOM 1408 CG1 ILE A 127 13.788 -5.857 -0.285 1.00 0.00 C ATOM 1409 CG2 ILE A 127 13.985 -6.986 1.946 1.00 0.00 C ATOM 1410 CD1 ILE A 127 15.123 -5.176 -0.493 1.00 0.00 C ATOM 0 H ILE A 127 11.782 -3.893 1.133 1.00 0.00 H new ATOM 0 HA ILE A 127 11.434 -6.504 0.352 1.00 0.00 H new ATOM 0 HB ILE A 127 13.614 -4.911 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.856 -6.887 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.036 -5.360 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.068 -6.881 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.673 -6.944 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.689 -7.944 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 127 15.390 -5.214 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.055 -4.136 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 127 15.887 -5.687 0.093 1.00 0.00 H new ATOM 1422 N PRO A 128 11.722 -6.243 3.664 1.00 0.00 N ATOM 1423 CA PRO A 128 11.425 -6.895 4.943 1.00 0.00 C ATOM 1424 C PRO A 128 9.930 -6.936 5.239 1.00 0.00 C ATOM 1425 O PRO A 128 9.507 -7.444 6.278 1.00 0.00 O ATOM 1426 CB PRO A 128 12.149 -6.015 5.966 1.00 0.00 C ATOM 1427 CG PRO A 128 12.239 -4.677 5.318 1.00 0.00 C ATOM 1428 CD PRO A 128 12.382 -4.938 3.844 1.00 0.00 C ATOM 0 HA PRO A 128 11.745 -7.937 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.598 -5.964 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.138 -6.410 6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.349 -4.083 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.092 -4.116 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.903 -4.160 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.429 -4.972 3.541 1.00 0.00 H new ATOM 1436 N TYR A 129 9.135 -6.400 4.321 1.00 0.00 N ATOM 1437 CA TYR A 129 7.686 -6.374 4.485 1.00 0.00 C ATOM 1438 C TYR A 129 7.012 -7.350 3.525 1.00 0.00 C ATOM 1439 O TYR A 129 5.812 -7.604 3.624 1.00 0.00 O ATOM 1440 CB TYR A 129 7.150 -4.960 4.252 1.00 0.00 C ATOM 1441 CG TYR A 129 7.473 -3.999 5.374 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.707 -3.363 5.437 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.544 -3.726 6.370 1.00 0.00 C ATOM 1444 CE1 TYR A 129 9.006 -2.484 6.460 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.834 -2.847 7.396 1.00 0.00 C ATOM 1446 CZ TYR A 129 8.067 -2.229 7.437 1.00 0.00 C ATOM 1447 OH TYR A 129 8.360 -1.355 8.458 1.00 0.00 O ATOM 0 H TYR A 129 9.469 -5.977 3.455 1.00 0.00 H new ATOM 0 HA TYR A 129 7.456 -6.679 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.564 -4.572 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.068 -5.007 4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.445 -3.559 4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.578 -4.209 6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.970 -1.999 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 129 6.100 -2.645 8.162 1.00 0.00 H new ATOM 0 HH TYR A 129 7.591 -1.287 9.061 1.00 0.00 H new ATOM 1457 N GLN A 130 7.794 -7.893 2.598 1.00 0.00 N ATOM 1458 CA GLN A 130 7.273 -8.841 1.620 1.00 0.00 C ATOM 1459 C GLN A 130 6.801 -10.121 2.301 1.00 0.00 C ATOM 1460 O GLN A 130 7.350 -10.532 3.324 1.00 0.00 O ATOM 1461 CB GLN A 130 8.342 -9.168 0.576 1.00 0.00 C ATOM 1462 CG GLN A 130 8.322 -8.240 -0.627 1.00 0.00 C ATOM 1463 CD GLN A 130 9.480 -8.486 -1.574 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.697 -8.450 -1.043 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.284 -8.706 -2.769 1.00 0.00 N flip ATOM 0 H GLN A 130 8.790 -7.693 2.503 1.00 0.00 H new ATOM 0 HA GLN A 130 6.419 -8.380 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.324 -9.118 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.203 -10.194 0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.383 -8.370 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.352 -7.206 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.332 -8.725 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 130 10.074 -8.870 -3.394 1.00 0.00 H new ATOM 1474 N LEU A 131 5.780 -10.749 1.727 1.00 0.00 N ATOM 1475 CA LEU A 131 5.233 -11.983 2.279 1.00 0.00 C ATOM 1476 C LEU A 131 5.217 -13.089 1.229 1.00 0.00 C ATOM 1477 O LEU A 131 4.847 -12.860 0.077 1.00 0.00 O ATOM 1478 CB LEU A 131 3.817 -11.746 2.807 1.00 0.00 C ATOM 1479 CG LEU A 131 3.715 -11.059 4.170 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.325 -10.476 4.371 1.00 0.00 C ATOM 1481 CD2 LEU A 131 4.053 -12.036 5.286 1.00 0.00 C ATOM 0 H LEU A 131 5.315 -10.424 0.880 1.00 0.00 H new ATOM 0 HA LEU A 131 5.873 -12.298 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.275 -11.144 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.308 -12.708 2.868 1.00 0.00 H new ATOM 0 HG LEU A 131 4.436 -10.242 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.271 -9.991 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.121 -9.744 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.585 -11.275 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.975 -11.530 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.356 -12.874 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.070 -12.405 5.151 1.00 0.00 H new ATOM 1493 N TYR A 132 5.620 -14.289 1.634 1.00 0.00 N ATOM 1494 CA TYR A 132 5.652 -15.430 0.728 1.00 0.00 C ATOM 1495 C TYR A 132 6.405 -15.087 -0.554 1.00 0.00 C ATOM 1496 O TYR A 132 5.945 -15.383 -1.658 1.00 0.00 O ATOM 1497 CB TYR A 132 4.230 -15.882 0.392 1.00 0.00 C ATOM 1498 CG TYR A 132 3.357 -16.091 1.608 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.556 -17.177 2.452 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.333 -15.203 1.914 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.761 -17.372 3.565 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.534 -15.389 3.026 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.752 -16.475 3.848 1.00 0.00 C ATOM 1504 OH TYR A 132 0.957 -16.666 4.955 1.00 0.00 O ATOM 0 H TYR A 132 5.929 -14.496 2.584 1.00 0.00 H new ATOM 0 HA TYR A 132 6.176 -16.244 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 132 3.765 -15.138 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.278 -16.812 -0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.346 -17.881 2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.159 -14.353 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.929 -18.222 4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.743 -14.688 3.250 1.00 0.00 H new ATOM 0 HH TYR A 132 0.090 -17.028 4.677 1.00 0.00 H new