USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 THR OG1 : rot 180:sc= -0.92! USER MOD Set 1.2: A 94 ASN : amide:sc= 0 X(o=-0.92,f=-0.92) USER MOD Set 2.1: A 88 THR OG1 : rot -63:sc= 0.849 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -0.0791 K(o=0.034,f=-2.1) USER MOD Set 2.3: A 107 LYS NZ :NH3+ -125:sc= -0.735 (180deg=-0.225) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -3.03! C(o=-1.7!,f=-6.1!) USER MOD Set 3.2: A 87 THR OG1 : rot -54:sc= 1.35 USER MOD Set 4.1: A 83 SER OG : rot 13:sc= -0.425 USER MOD Set 4.2: A 86 LYS NZ :NH3+ -158:sc= -1.69 (180deg=-2.06) USER MOD Set 5.1: A 55 TYR OH : rot -112:sc= 0.0212 USER MOD Set 5.2: A 57 ASN : amide:sc= 0.0206 K(o=0.042,f=-0.51) USER MOD Single : A 47 THR OG1 : rot 60:sc= 0.77 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 110:sc= -1.84 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0831 (180deg=-0.985) USER MOD Single : A 71 MET CE :methyl 142:sc= -2.02! (180deg=-5.65!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.0329 K(o=-0.033,f=-0.54) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 130:sc= -0.314 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -172:sc= -0.834 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.61 K(o=-0.61,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ -154:sc= -0.127 (180deg=-0.596) 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 73:sc= 0.729 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 30:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 132 TYR OH : rot -113:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.256 13.593 -1.052 1.00 0.00 N ATOM 103 CA THR A 47 4.114 12.694 -2.190 1.00 0.00 C ATOM 104 C THR A 47 5.123 11.553 -2.119 1.00 0.00 C ATOM 105 O THR A 47 5.956 11.393 -3.012 1.00 0.00 O ATOM 106 CB THR A 47 4.296 13.442 -3.524 1.00 0.00 C ATOM 107 OG1 THR A 47 5.643 13.914 -3.641 1.00 0.00 O ATOM 108 CG2 THR A 47 3.332 14.615 -3.622 1.00 0.00 C ATOM 0 HA THR A 47 3.104 12.286 -2.146 1.00 0.00 H new ATOM 0 HB THR A 47 4.083 12.748 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.260 13.153 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.479 15.128 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.307 14.250 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.519 15.309 -2.802 1.00 0.00 H new ATOM 116 N ILE A 48 5.043 10.764 -1.053 1.00 0.00 N ATOM 117 CA ILE A 48 5.949 9.638 -0.867 1.00 0.00 C ATOM 118 C ILE A 48 5.428 8.391 -1.575 1.00 0.00 C ATOM 119 O ILE A 48 6.205 7.546 -2.019 1.00 0.00 O ATOM 120 CB ILE A 48 6.152 9.319 0.626 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.817 9.385 1.371 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.156 10.282 1.241 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.844 8.704 2.721 1.00 0.00 C ATOM 0 H ILE A 48 4.360 10.884 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 48 6.906 9.928 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 48 6.546 8.307 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.537 10.430 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.044 8.924 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.289 10.044 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.112 10.190 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.788 11.303 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.865 8.790 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.093 7.651 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.594 9.180 3.353 1.00 0.00 H new ATOM 135 N PHE A 49 4.107 8.285 -1.678 1.00 0.00 N ATOM 136 CA PHE A 49 3.482 7.142 -2.333 1.00 0.00 C ATOM 137 C PHE A 49 3.114 7.476 -3.776 1.00 0.00 C ATOM 138 O PHE A 49 2.381 6.734 -4.429 1.00 0.00 O ATOM 139 CB PHE A 49 2.232 6.707 -1.565 1.00 0.00 C ATOM 140 CG PHE A 49 2.538 5.972 -0.291 1.00 0.00 C ATOM 141 CD1 PHE A 49 2.991 4.663 -0.323 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.371 6.590 0.938 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.274 3.984 0.848 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.652 5.916 2.111 1.00 0.00 C ATOM 145 CZ PHE A 49 3.103 4.611 2.066 1.00 0.00 C ATOM 0 H PHE A 49 3.450 8.976 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 49 4.200 6.322 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.633 7.588 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.625 6.069 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.125 4.167 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.017 7.610 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.628 2.965 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.519 6.409 3.063 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.321 4.082 2.982 1.00 0.00 H new ATOM 155 N SER A 50 3.629 8.599 -4.267 1.00 0.00 N ATOM 156 CA SER A 50 3.352 9.035 -5.630 1.00 0.00 C ATOM 157 C SER A 50 3.681 7.932 -6.631 1.00 0.00 C ATOM 158 O SER A 50 4.847 7.623 -6.871 1.00 0.00 O ATOM 159 CB SER A 50 4.157 10.294 -5.959 1.00 0.00 C ATOM 160 OG SER A 50 3.522 11.056 -6.970 1.00 0.00 O ATOM 0 H SER A 50 4.240 9.223 -3.741 1.00 0.00 H new ATOM 0 HA SER A 50 2.289 9.263 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.272 10.901 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.159 10.014 -6.285 1.00 0.00 H new ATOM 0 HG SER A 50 4.055 11.856 -7.161 1.00 0.00 H new ATOM 166 N GLY A 51 2.641 7.340 -7.212 1.00 0.00 N ATOM 167 CA GLY A 51 2.839 6.276 -8.180 1.00 0.00 C ATOM 168 C GLY A 51 2.968 4.914 -7.527 1.00 0.00 C ATOM 169 O GLY A 51 3.750 4.075 -7.974 1.00 0.00 O ATOM 0 H GLY A 51 1.666 7.578 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.001 6.263 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.736 6.482 -8.763 1.00 0.00 H new ATOM 173 N VAL A 52 2.200 4.694 -6.464 1.00 0.00 N ATOM 174 CA VAL A 52 2.232 3.425 -5.748 1.00 0.00 C ATOM 175 C VAL A 52 0.824 2.889 -5.516 1.00 0.00 C ATOM 176 O VAL A 52 0.149 3.279 -4.564 1.00 0.00 O ATOM 177 CB VAL A 52 2.946 3.564 -4.390 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.609 2.389 -3.486 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.450 3.681 -4.589 1.00 0.00 C ATOM 0 H VAL A 52 1.548 5.378 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 52 2.787 2.724 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 52 2.594 4.475 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.123 2.505 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.533 2.357 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.930 1.461 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.939 3.778 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.821 2.789 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.669 4.559 -5.196 1.00 0.00 H new ATOM 189 N ALA A 53 0.387 1.991 -6.393 1.00 0.00 N ATOM 190 CA ALA A 53 -0.941 1.399 -6.283 1.00 0.00 C ATOM 191 C ALA A 53 -0.916 0.158 -5.397 1.00 0.00 C ATOM 192 O ALA A 53 0.054 -0.600 -5.401 1.00 0.00 O ATOM 193 CB ALA A 53 -1.481 1.054 -7.663 1.00 0.00 C ATOM 0 H ALA A 53 0.933 1.658 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.602 2.132 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.473 0.613 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.544 1.960 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.813 0.342 -8.147 1.00 0.00 H new ATOM 199 N ILE A 54 -1.988 -0.042 -4.638 1.00 0.00 N ATOM 200 CA ILE A 54 -2.089 -1.191 -3.747 1.00 0.00 C ATOM 201 C ILE A 54 -3.421 -1.911 -3.927 1.00 0.00 C ATOM 202 O ILE A 54 -4.377 -1.346 -4.459 1.00 0.00 O ATOM 203 CB ILE A 54 -1.939 -0.775 -2.272 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.117 0.104 -1.845 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.622 -0.044 -2.059 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.197 0.322 -0.350 1.00 0.00 C ATOM 0 H ILE A 54 -2.799 0.577 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.275 -1.866 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.937 -1.674 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.037 1.071 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.045 -0.354 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.531 0.244 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.206 -0.700 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.596 0.849 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.055 0.954 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.309 -0.639 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.285 0.809 -0.004 1.00 0.00 H new ATOM 218 N TYR A 55 -3.477 -3.160 -3.479 1.00 0.00 N ATOM 219 CA TYR A 55 -4.692 -3.959 -3.591 1.00 0.00 C ATOM 220 C TYR A 55 -4.912 -4.795 -2.334 1.00 0.00 C ATOM 221 O TYR A 55 -4.172 -5.741 -2.066 1.00 0.00 O ATOM 222 CB TYR A 55 -4.617 -4.870 -4.817 1.00 0.00 C ATOM 223 CG TYR A 55 -5.592 -6.025 -4.773 1.00 0.00 C ATOM 224 CD1 TYR A 55 -6.962 -5.806 -4.841 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.143 -7.335 -4.663 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.857 -6.858 -4.801 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.030 -8.394 -4.623 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.386 -8.150 -4.692 1.00 0.00 C ATOM 229 OH TYR A 55 -8.273 -9.201 -4.652 1.00 0.00 O ATOM 0 H TYR A 55 -2.695 -3.641 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.535 -3.278 -3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.808 -4.278 -5.712 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.604 -5.263 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.334 -4.796 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.082 -7.529 -4.608 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.919 -6.670 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.664 -9.406 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.256 -9.610 -3.762 1.00 0.00 H new ATOM 239 N VAL A 56 -5.937 -4.438 -1.566 1.00 0.00 N ATOM 240 CA VAL A 56 -6.258 -5.156 -0.338 1.00 0.00 C ATOM 241 C VAL A 56 -7.156 -6.355 -0.620 1.00 0.00 C ATOM 242 O VAL A 56 -8.249 -6.210 -1.164 1.00 0.00 O ATOM 243 CB VAL A 56 -6.954 -4.237 0.684 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.226 -4.987 1.979 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.112 -2.996 0.944 1.00 0.00 C ATOM 0 H VAL A 56 -6.559 -3.656 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.314 -5.504 0.081 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.910 -3.919 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.718 -4.322 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.871 -5.842 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.284 -5.336 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.618 -2.358 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.140 -3.292 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.974 -2.448 0.012 1.00 0.00 H new ATOM 255 N ASN A 57 -6.686 -7.540 -0.246 1.00 0.00 N ATOM 256 CA ASN A 57 -7.447 -8.766 -0.459 1.00 0.00 C ATOM 257 C ASN A 57 -7.903 -9.361 0.870 1.00 0.00 C ATOM 258 O ASN A 57 -7.086 -9.797 1.680 1.00 0.00 O ATOM 259 CB ASN A 57 -6.604 -9.788 -1.225 1.00 0.00 C ATOM 260 CG ASN A 57 -7.391 -11.032 -1.587 1.00 0.00 C ATOM 261 OD1 ASN A 57 -8.580 -10.959 -1.900 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.730 -12.183 -1.545 1.00 0.00 N ATOM 0 H ASN A 57 -5.782 -7.678 0.206 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.330 -8.518 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.218 -9.328 -2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.742 -10.070 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.207 -13.054 -1.778 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.745 -12.196 -1.280 1.00 0.00 H new ATOM 269 N GLY A 58 -9.215 -9.377 1.086 1.00 0.00 N ATOM 270 CA GLY A 58 -9.757 -9.921 2.317 1.00 0.00 C ATOM 271 C GLY A 58 -9.617 -8.965 3.485 1.00 0.00 C ATOM 272 O GLY A 58 -9.699 -7.748 3.313 1.00 0.00 O ATOM 0 H GLY A 58 -9.912 -9.023 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.810 -10.160 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.247 -10.855 2.553 1.00 0.00 H new ATOM 276 N TYR A 59 -9.407 -9.515 4.676 1.00 0.00 N ATOM 277 CA TYR A 59 -9.260 -8.702 5.878 1.00 0.00 C ATOM 278 C TYR A 59 -7.816 -8.242 6.050 1.00 0.00 C ATOM 279 O TYR A 59 -6.876 -8.987 5.771 1.00 0.00 O ATOM 280 CB TYR A 59 -9.706 -9.491 7.110 1.00 0.00 C ATOM 281 CG TYR A 59 -9.273 -8.868 8.417 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.999 -9.087 8.925 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.138 -8.060 9.145 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.598 -8.520 10.120 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.746 -7.488 10.340 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.475 -7.721 10.823 1.00 0.00 C ATOM 287 OH TYR A 59 -8.082 -7.155 12.014 1.00 0.00 O ATOM 0 H TYR A 59 -9.335 -10.520 4.835 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.893 -7.821 5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.792 -9.579 7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.304 -10.502 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.309 -9.711 8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.134 -7.876 8.770 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.604 -8.702 10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.431 -6.862 10.893 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.817 -6.621 12.381 1.00 0.00 H new ATOM 297 N THR A 60 -7.647 -7.007 6.513 1.00 0.00 N ATOM 298 CA THR A 60 -6.319 -6.445 6.724 1.00 0.00 C ATOM 299 C THR A 60 -6.329 -5.416 7.849 1.00 0.00 C ATOM 300 O THR A 60 -7.371 -4.847 8.173 1.00 0.00 O ATOM 301 CB THR A 60 -5.780 -5.782 5.442 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.863 -5.242 4.677 1.00 0.00 O ATOM 303 CG2 THR A 60 -5.006 -6.784 4.598 1.00 0.00 C ATOM 0 H THR A 60 -8.414 -6.377 6.749 1.00 0.00 H new ATOM 0 HA THR A 60 -5.666 -7.273 6.999 1.00 0.00 H new ATOM 0 HB THR A 60 -5.104 -4.977 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.829 -4.263 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.635 -6.293 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.165 -7.171 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.663 -7.607 4.317 1.00 0.00 H new ATOM 311 N ASP A 61 -5.162 -5.182 8.440 1.00 0.00 N ATOM 312 CA ASP A 61 -5.037 -4.219 9.528 1.00 0.00 C ATOM 313 C ASP A 61 -4.003 -3.149 9.191 1.00 0.00 C ATOM 314 O ASP A 61 -2.813 -3.426 9.042 1.00 0.00 O ATOM 315 CB ASP A 61 -4.647 -4.932 10.825 1.00 0.00 C ATOM 316 CG ASP A 61 -3.149 -5.127 10.950 1.00 0.00 C ATOM 317 OD1 ASP A 61 -2.596 -5.967 10.209 1.00 0.00 O ATOM 318 OD2 ASP A 61 -2.529 -4.441 11.789 1.00 0.00 O ATOM 0 H ASP A 61 -4.290 -5.645 8.184 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.004 -3.734 9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.008 -4.355 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.142 -5.903 10.866 1.00 0.00 H new ATOM 323 N PRO A 62 -4.467 -1.897 9.065 1.00 0.00 N ATOM 324 CA PRO A 62 -5.882 -1.556 9.239 1.00 0.00 C ATOM 325 C PRO A 62 -6.752 -2.096 8.109 1.00 0.00 C ATOM 326 O PRO A 62 -6.289 -2.873 7.274 1.00 0.00 O ATOM 327 CB PRO A 62 -5.882 -0.025 9.229 1.00 0.00 C ATOM 328 CG PRO A 62 -4.666 0.348 8.453 1.00 0.00 C ATOM 329 CD PRO A 62 -3.646 -0.718 8.743 1.00 0.00 C ATOM 0 HA PRO A 62 -6.297 -1.990 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.785 0.368 8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.845 0.378 10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.884 0.399 7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.299 1.330 8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.000 -0.900 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.999 -0.439 9.575 1.00 0.00 H new ATOM 337 N SER A 63 -8.014 -1.678 8.088 1.00 0.00 N ATOM 338 CA SER A 63 -8.949 -2.123 7.061 1.00 0.00 C ATOM 339 C SER A 63 -8.567 -1.558 5.697 1.00 0.00 C ATOM 340 O SER A 63 -7.605 -0.801 5.573 1.00 0.00 O ATOM 341 CB SER A 63 -10.374 -1.697 7.421 1.00 0.00 C ATOM 342 OG SER A 63 -10.919 -2.538 8.423 1.00 0.00 O ATOM 0 H SER A 63 -8.412 -1.032 8.770 1.00 0.00 H new ATOM 0 HA SER A 63 -8.904 -3.211 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.371 -0.664 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.003 -1.731 6.531 1.00 0.00 H new ATOM 0 HG SER A 63 -11.829 -2.244 8.637 1.00 0.00 H new ATOM 348 N ALA A 64 -9.328 -1.934 4.674 1.00 0.00 N ATOM 349 CA ALA A 64 -9.071 -1.464 3.318 1.00 0.00 C ATOM 350 C ALA A 64 -9.428 0.011 3.171 1.00 0.00 C ATOM 351 O ALA A 64 -8.689 0.779 2.557 1.00 0.00 O ATOM 352 CB ALA A 64 -9.850 -2.301 2.313 1.00 0.00 C ATOM 0 H ALA A 64 -10.127 -2.562 4.759 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.005 -1.574 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.649 -1.939 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.543 -3.344 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.917 -2.220 2.521 1.00 0.00 H new ATOM 358 N GLU A 65 -10.567 0.399 3.737 1.00 0.00 N ATOM 359 CA GLU A 65 -11.022 1.782 3.667 1.00 0.00 C ATOM 360 C GLU A 65 -9.974 2.730 4.244 1.00 0.00 C ATOM 361 O GLU A 65 -9.662 3.761 3.651 1.00 0.00 O ATOM 362 CB GLU A 65 -12.344 1.946 4.420 1.00 0.00 C ATOM 363 CG GLU A 65 -13.060 3.251 4.114 1.00 0.00 C ATOM 364 CD GLU A 65 -14.543 3.190 4.428 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.193 2.199 4.036 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.052 4.135 5.068 1.00 0.00 O ATOM 0 H GLU A 65 -11.191 -0.225 4.249 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.176 2.034 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.001 1.113 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.152 1.889 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.603 4.056 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.925 3.497 3.061 1.00 0.00 H new ATOM 373 N GLU A 66 -9.436 2.371 5.406 1.00 0.00 N ATOM 374 CA GLU A 66 -8.425 3.190 6.064 1.00 0.00 C ATOM 375 C GLU A 66 -7.226 3.415 5.147 1.00 0.00 C ATOM 376 O GLU A 66 -6.692 4.522 5.065 1.00 0.00 O ATOM 377 CB GLU A 66 -7.968 2.527 7.365 1.00 0.00 C ATOM 378 CG GLU A 66 -9.069 2.409 8.407 1.00 0.00 C ATOM 379 CD GLU A 66 -8.526 2.288 9.818 1.00 0.00 C ATOM 380 OE1 GLU A 66 -7.713 3.149 10.216 1.00 0.00 O ATOM 381 OE2 GLU A 66 -8.913 1.333 10.523 1.00 0.00 O ATOM 0 H GLU A 66 -9.683 1.519 5.910 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.871 4.157 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.583 1.532 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.142 3.101 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.718 3.283 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.685 1.538 8.183 1.00 0.00 H new ATOM 388 N LEU A 67 -6.808 2.358 4.460 1.00 0.00 N ATOM 389 CA LEU A 67 -5.672 2.439 3.548 1.00 0.00 C ATOM 390 C LEU A 67 -6.061 3.147 2.255 1.00 0.00 C ATOM 391 O LEU A 67 -5.243 3.833 1.641 1.00 0.00 O ATOM 392 CB LEU A 67 -5.142 1.038 3.237 1.00 0.00 C ATOM 393 CG LEU A 67 -4.633 0.231 4.432 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.413 -1.222 4.041 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.349 0.839 4.977 1.00 0.00 C ATOM 0 H LEU A 67 -7.238 1.435 4.517 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.887 3.018 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.937 0.470 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.331 1.130 2.515 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.389 0.263 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.051 -1.780 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.354 -1.653 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.676 -1.276 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.001 0.252 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.586 0.837 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.539 1.864 5.297 1.00 0.00 H new ATOM 407 N ARG A 68 -7.314 2.978 1.847 1.00 0.00 N ATOM 408 CA ARG A 68 -7.812 3.602 0.627 1.00 0.00 C ATOM 409 C ARG A 68 -7.527 5.101 0.628 1.00 0.00 C ATOM 410 O ARG A 68 -6.992 5.643 -0.339 1.00 0.00 O ATOM 411 CB ARG A 68 -9.315 3.357 0.480 1.00 0.00 C ATOM 412 CG ARG A 68 -9.933 4.068 -0.713 1.00 0.00 C ATOM 413 CD ARG A 68 -11.367 3.619 -0.946 1.00 0.00 C ATOM 414 NE ARG A 68 -12.085 4.522 -1.842 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.023 4.446 -3.166 1.00 0.00 C ATOM 416 NH1 ARG A 68 -11.281 3.513 -3.746 1.00 0.00 N ATOM 417 NH2 ARG A 68 -12.705 5.304 -3.914 1.00 0.00 N ATOM 0 H ARG A 68 -8.004 2.414 2.344 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.294 3.152 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.493 2.286 0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.819 3.685 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.910 5.145 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.339 3.869 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.368 2.614 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.890 3.565 0.009 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.666 5.251 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.756 2.851 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.235 3.457 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.278 6.023 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.657 5.245 -4.931 1.00 0.00 H new ATOM 431 N LYS A 69 -7.889 5.766 1.720 1.00 0.00 N ATOM 432 CA LYS A 69 -7.672 7.202 1.849 1.00 0.00 C ATOM 433 C LYS A 69 -6.189 7.516 2.017 1.00 0.00 C ATOM 434 O LYS A 69 -5.592 8.204 1.189 1.00 0.00 O ATOM 435 CB LYS A 69 -8.459 7.752 3.041 1.00 0.00 C ATOM 436 CG LYS A 69 -9.922 8.022 2.732 1.00 0.00 C ATOM 437 CD LYS A 69 -10.767 6.770 2.894 1.00 0.00 C ATOM 438 CE LYS A 69 -11.301 6.638 4.312 1.00 0.00 C ATOM 439 NZ LYS A 69 -10.255 6.157 5.257 1.00 0.00 N ATOM 0 H LYS A 69 -8.334 5.333 2.529 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.025 7.681 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.396 7.042 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.991 8.677 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.296 8.803 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.016 8.396 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.600 6.798 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.170 5.892 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.678 7.603 4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.143 5.946 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.707 5.808 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.715 5.387 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.612 6.940 5.491 1.00 0.00 H new ATOM 453 N LEU A 70 -5.600 7.006 3.093 1.00 0.00 N ATOM 454 CA LEU A 70 -4.185 7.231 3.369 1.00 0.00 C ATOM 455 C LEU A 70 -3.380 7.288 2.075 1.00 0.00 C ATOM 456 O LEU A 70 -2.399 8.024 1.974 1.00 0.00 O ATOM 457 CB LEU A 70 -3.639 6.125 4.274 1.00 0.00 C ATOM 458 CG LEU A 70 -4.174 6.105 5.706 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.839 4.784 6.383 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.609 7.272 6.503 1.00 0.00 C ATOM 0 H LEU A 70 -6.080 6.434 3.788 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.088 8.190 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.859 5.163 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.554 6.218 4.314 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.259 6.207 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.228 4.788 7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.292 3.964 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.757 4.652 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.001 7.242 7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.522 7.201 6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.899 8.210 6.030 1.00 0.00 H new ATOM 472 N MET A 71 -3.803 6.508 1.086 1.00 0.00 N ATOM 473 CA MET A 71 -3.124 6.472 -0.204 1.00 0.00 C ATOM 474 C MET A 71 -3.409 7.739 -1.004 1.00 0.00 C ATOM 475 O MET A 71 -2.501 8.515 -1.301 1.00 0.00 O ATOM 476 CB MET A 71 -3.561 5.242 -1.001 1.00 0.00 C ATOM 477 CG MET A 71 -3.218 3.925 -0.324 1.00 0.00 C ATOM 478 SD MET A 71 -1.587 3.310 -0.788 1.00 0.00 S ATOM 479 CE MET A 71 -0.530 4.488 0.050 1.00 0.00 C ATOM 0 H MET A 71 -4.613 5.892 1.153 1.00 0.00 H new ATOM 0 HA MET A 71 -2.051 6.414 -0.020 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.638 5.288 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.090 5.270 -1.983 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.259 4.055 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.970 3.180 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.345 3.973 0.448 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.210 5.255 -0.655 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.080 4.953 0.868 1.00 0.00 H new ATOM 489 N MET A 72 -4.676 7.942 -1.349 1.00 0.00 N ATOM 490 CA MET A 72 -5.081 9.116 -2.114 1.00 0.00 C ATOM 491 C MET A 72 -4.544 10.393 -1.475 1.00 0.00 C ATOM 492 O MET A 72 -4.046 11.283 -2.166 1.00 0.00 O ATOM 493 CB MET A 72 -6.606 9.185 -2.216 1.00 0.00 C ATOM 494 CG MET A 72 -7.234 7.926 -2.792 1.00 0.00 C ATOM 495 SD MET A 72 -7.004 7.789 -4.575 1.00 0.00 S ATOM 496 CE MET A 72 -8.549 8.474 -5.169 1.00 0.00 C ATOM 0 H MET A 72 -5.440 7.309 -1.111 1.00 0.00 H new ATOM 0 HA MET A 72 -4.661 9.028 -3.116 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.020 9.367 -1.224 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.882 10.036 -2.838 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.800 7.053 -2.305 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.300 7.920 -2.565 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.559 8.458 -6.259 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.380 7.880 -4.790 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.649 9.502 -4.820 1.00 0.00 H new ATOM 506 N LEU A 73 -4.648 10.477 -0.154 1.00 0.00 N ATOM 507 CA LEU A 73 -4.173 11.646 0.579 1.00 0.00 C ATOM 508 C LEU A 73 -2.671 11.831 0.392 1.00 0.00 C ATOM 509 O LEU A 73 -2.146 12.934 0.550 1.00 0.00 O ATOM 510 CB LEU A 73 -4.501 11.507 2.067 1.00 0.00 C ATOM 511 CG LEU A 73 -5.869 12.033 2.504 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.936 10.967 2.311 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.825 12.490 3.955 1.00 0.00 C ATOM 0 H LEU A 73 -5.057 9.750 0.432 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.681 12.525 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.436 10.453 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.734 12.029 2.638 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.124 12.890 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.903 11.359 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.984 10.687 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.687 10.090 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.807 12.861 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.548 11.650 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.088 13.286 4.064 1.00 0.00 H new ATOM 525 N HIS A 74 -1.983 10.745 0.054 1.00 0.00 N ATOM 526 CA HIS A 74 -0.540 10.789 -0.157 1.00 0.00 C ATOM 527 C HIS A 74 -0.203 10.640 -1.637 1.00 0.00 C ATOM 528 O HIS A 74 0.951 10.418 -2.002 1.00 0.00 O ATOM 529 CB HIS A 74 0.148 9.686 0.648 1.00 0.00 C ATOM 530 CG HIS A 74 0.508 10.097 2.042 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.617 10.861 2.339 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.102 9.849 3.224 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.675 11.063 3.643 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.642 10.459 4.204 1.00 0.00 N ATOM 0 H HIS A 74 -2.401 9.824 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.177 11.758 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.508 8.817 0.692 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.052 9.376 0.125 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.288 11.215 1.657 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.007 9.277 3.370 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.437 11.626 4.162 1.00 0.00 H new ATOM 542 N GLY A 75 -1.219 10.764 -2.486 1.00 0.00 N ATOM 543 CA GLY A 75 -1.009 10.640 -3.917 1.00 0.00 C ATOM 544 C GLY A 75 -1.082 9.202 -4.391 1.00 0.00 C ATOM 545 O GLY A 75 -1.136 8.938 -5.591 1.00 0.00 O ATOM 0 H GLY A 75 -2.183 10.948 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.758 11.231 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.035 11.056 -4.176 1.00 0.00 H new ATOM 549 N GLY A 76 -1.083 8.267 -3.445 1.00 0.00 N ATOM 550 CA GLY A 76 -1.148 6.860 -3.792 1.00 0.00 C ATOM 551 C GLY A 76 -2.366 6.525 -4.630 1.00 0.00 C ATOM 552 O GLY A 76 -3.017 7.417 -5.173 1.00 0.00 O ATOM 0 H GLY A 76 -1.040 8.460 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.247 6.582 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.164 6.264 -2.879 1.00 0.00 H new ATOM 556 N GLN A 77 -2.675 5.237 -4.735 1.00 0.00 N ATOM 557 CA GLN A 77 -3.822 4.787 -5.515 1.00 0.00 C ATOM 558 C GLN A 77 -4.434 3.529 -4.907 1.00 0.00 C ATOM 559 O GLN A 77 -3.730 2.701 -4.329 1.00 0.00 O ATOM 560 CB GLN A 77 -3.407 4.519 -6.962 1.00 0.00 C ATOM 561 CG GLN A 77 -3.263 5.781 -7.798 1.00 0.00 C ATOM 562 CD GLN A 77 -3.060 5.486 -9.271 1.00 0.00 C ATOM 563 OE1 GLN A 77 -4.019 5.413 -10.039 1.00 0.00 O ATOM 564 NE2 GLN A 77 -1.806 5.314 -9.673 1.00 0.00 N ATOM 0 H GLN A 77 -2.147 4.486 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.573 5.577 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.459 3.981 -6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.146 3.867 -7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.153 6.398 -7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.419 6.363 -7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.041 5.383 -9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.608 5.113 -10.653 1.00 0.00 H new ATOM 573 N TYR A 78 -5.748 3.393 -5.042 1.00 0.00 N ATOM 574 CA TYR A 78 -6.456 2.237 -4.504 1.00 0.00 C ATOM 575 C TYR A 78 -7.274 1.545 -5.590 1.00 0.00 C ATOM 576 O TYR A 78 -8.042 2.186 -6.309 1.00 0.00 O ATOM 577 CB TYR A 78 -7.370 2.663 -3.354 1.00 0.00 C ATOM 578 CG TYR A 78 -8.126 1.514 -2.724 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.282 1.013 -3.310 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.683 0.929 -1.544 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.975 -0.036 -2.738 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.370 -0.120 -0.966 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.516 -0.599 -1.566 1.00 0.00 C ATOM 584 OH TYR A 78 -10.203 -1.645 -0.994 1.00 0.00 O ATOM 0 H TYR A 78 -6.345 4.069 -5.519 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.715 1.531 -4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.771 3.156 -2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.085 3.399 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.645 1.451 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.786 1.301 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.872 -0.413 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.012 -0.563 -0.049 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.580 -2.374 -0.791 1.00 0.00 H new ATOM 594 N HIS A 79 -7.105 0.232 -5.703 1.00 0.00 N ATOM 595 CA HIS A 79 -7.828 -0.550 -6.700 1.00 0.00 C ATOM 596 C HIS A 79 -8.736 -1.577 -6.031 1.00 0.00 C ATOM 597 O HIS A 79 -8.346 -2.226 -5.059 1.00 0.00 O ATOM 598 CB HIS A 79 -6.846 -1.253 -7.638 1.00 0.00 C ATOM 599 CG HIS A 79 -5.968 -0.310 -8.401 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.621 -0.531 -8.600 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.250 0.862 -9.017 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.113 0.465 -9.304 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.081 1.323 -9.570 1.00 0.00 N ATOM 0 H HIS A 79 -6.474 -0.313 -5.116 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.448 0.132 -7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.220 -1.929 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.406 -1.867 -8.344 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.215 1.345 -9.065 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.082 0.561 -9.610 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.977 2.188 -10.100 1.00 0.00 H new ATOM 611 N VAL A 80 -9.948 -1.720 -6.557 1.00 0.00 N ATOM 612 CA VAL A 80 -10.911 -2.669 -6.011 1.00 0.00 C ATOM 613 C VAL A 80 -10.626 -4.085 -6.500 1.00 0.00 C ATOM 614 O VAL A 80 -10.884 -5.060 -5.794 1.00 0.00 O ATOM 615 CB VAL A 80 -12.354 -2.287 -6.393 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.352 -3.157 -5.644 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.605 -0.813 -6.115 1.00 0.00 C ATOM 0 H VAL A 80 -10.287 -1.191 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.808 -2.635 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.488 -2.460 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.366 -2.873 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.184 -4.204 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.222 -3.018 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.629 -0.560 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.454 -0.612 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.912 -0.209 -6.701 1.00 0.00 H new ATOM 627 N TYR A 81 -10.091 -4.189 -7.711 1.00 0.00 N ATOM 628 CA TYR A 81 -9.772 -5.486 -8.296 1.00 0.00 C ATOM 629 C TYR A 81 -8.275 -5.610 -8.563 1.00 0.00 C ATOM 630 O TYR A 81 -7.613 -4.634 -8.917 1.00 0.00 O ATOM 631 CB TYR A 81 -10.551 -5.688 -9.597 1.00 0.00 C ATOM 632 CG TYR A 81 -12.008 -6.032 -9.383 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.942 -5.042 -9.105 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.450 -7.347 -9.460 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.274 -5.351 -8.908 1.00 0.00 C ATOM 636 CE2 TYR A 81 -13.780 -7.665 -9.265 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.688 -6.664 -8.989 1.00 0.00 C ATOM 638 OH TYR A 81 -16.014 -6.977 -8.795 1.00 0.00 O ATOM 0 H TYR A 81 -9.869 -3.391 -8.307 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.061 -6.258 -7.583 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.485 -4.779 -10.195 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.079 -6.484 -10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.621 -4.013 -9.042 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.742 -8.133 -9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.987 -4.569 -8.692 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.107 -8.692 -9.328 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.139 -7.945 -8.887 1.00 0.00 H new ATOM 648 N TYR A 82 -7.748 -6.817 -8.391 1.00 0.00 N ATOM 649 CA TYR A 82 -6.329 -7.070 -8.611 1.00 0.00 C ATOM 650 C TYR A 82 -5.943 -6.786 -10.059 1.00 0.00 C ATOM 651 O TYR A 82 -6.559 -7.303 -10.991 1.00 0.00 O ATOM 652 CB TYR A 82 -5.986 -8.517 -8.254 1.00 0.00 C ATOM 653 CG TYR A 82 -4.543 -8.881 -8.521 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.508 -8.067 -8.077 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.214 -10.038 -9.217 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.188 -8.395 -8.318 1.00 0.00 C ATOM 657 CE2 TYR A 82 -2.897 -10.374 -9.461 1.00 0.00 C ATOM 658 CZ TYR A 82 -1.887 -9.550 -9.010 1.00 0.00 C ATOM 659 OH TYR A 82 -0.574 -9.881 -9.253 1.00 0.00 O ATOM 0 H TYR A 82 -8.282 -7.636 -8.100 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.762 -6.400 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.205 -8.684 -7.199 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.632 -9.186 -8.823 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.740 -7.162 -7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.002 -10.685 -9.573 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.396 -7.751 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.659 -11.278 -10.002 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.537 -10.652 -9.857 1.00 0.00 H new ATOM 669 N SER A 83 -4.917 -5.960 -10.240 1.00 0.00 N ATOM 670 CA SER A 83 -4.449 -5.604 -11.575 1.00 0.00 C ATOM 671 C SER A 83 -2.925 -5.606 -11.634 1.00 0.00 C ATOM 672 O SER A 83 -2.269 -4.729 -11.071 1.00 0.00 O ATOM 673 CB SER A 83 -4.985 -4.228 -11.975 1.00 0.00 C ATOM 674 OG SER A 83 -6.351 -4.299 -12.343 1.00 0.00 O ATOM 0 H SER A 83 -4.394 -5.525 -9.480 1.00 0.00 H new ATOM 0 HA SER A 83 -4.823 -6.350 -12.276 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.865 -3.532 -11.145 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.401 -3.835 -12.807 1.00 0.00 H new ATOM 0 HG SER A 83 -6.720 -5.163 -12.065 1.00 0.00 H new ATOM 680 N ARG A 84 -2.367 -6.598 -12.321 1.00 0.00 N ATOM 681 CA ARG A 84 -0.920 -6.716 -12.454 1.00 0.00 C ATOM 682 C ARG A 84 -0.360 -5.592 -13.321 1.00 0.00 C ATOM 683 O ARG A 84 0.854 -5.418 -13.421 1.00 0.00 O ATOM 684 CB ARG A 84 -0.551 -8.073 -13.058 1.00 0.00 C ATOM 685 CG ARG A 84 -0.860 -9.249 -12.146 1.00 0.00 C ATOM 686 CD ARG A 84 -0.991 -10.544 -12.932 1.00 0.00 C ATOM 687 NE ARG A 84 -2.079 -10.486 -13.905 1.00 0.00 N ATOM 688 CZ ARG A 84 -2.468 -11.525 -14.635 1.00 0.00 C ATOM 689 NH1 ARG A 84 -1.861 -12.697 -14.504 1.00 0.00 N ATOM 690 NH2 ARG A 84 -3.467 -11.394 -15.499 1.00 0.00 N ATOM 0 H ARG A 84 -2.895 -7.331 -12.794 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.481 -6.637 -11.459 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.089 -8.201 -13.997 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.513 -8.078 -13.296 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.070 -9.352 -11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.785 -9.056 -11.603 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.054 -10.751 -13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.165 -11.370 -12.243 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.567 -9.599 -14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.093 -12.802 -13.841 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.162 -13.493 -15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.937 -10.495 -15.603 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.765 -12.193 -16.059 1.00 0.00 H new ATOM 704 N SER A 85 -1.254 -4.833 -13.946 1.00 0.00 N ATOM 705 CA SER A 85 -0.849 -3.728 -14.808 1.00 0.00 C ATOM 706 C SER A 85 -0.882 -2.406 -14.048 1.00 0.00 C ATOM 707 O SER A 85 0.098 -1.661 -14.031 1.00 0.00 O ATOM 708 CB SER A 85 -1.762 -3.649 -16.033 1.00 0.00 C ATOM 709 OG SER A 85 -1.400 -2.564 -16.869 1.00 0.00 O ATOM 0 H SER A 85 -2.263 -4.962 -13.872 1.00 0.00 H new ATOM 0 HA SER A 85 0.174 -3.912 -15.137 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.703 -4.581 -16.595 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.797 -3.535 -15.712 1.00 0.00 H new ATOM 0 HG SER A 85 -1.997 -2.536 -17.645 1.00 0.00 H new ATOM 715 N LYS A 86 -2.018 -2.120 -13.421 1.00 0.00 N ATOM 716 CA LYS A 86 -2.181 -0.888 -12.657 1.00 0.00 C ATOM 717 C LYS A 86 -1.620 -1.044 -11.248 1.00 0.00 C ATOM 718 O LYS A 86 -0.751 -0.279 -10.826 1.00 0.00 O ATOM 719 CB LYS A 86 -3.660 -0.499 -12.589 1.00 0.00 C ATOM 720 CG LYS A 86 -4.138 0.288 -13.796 1.00 0.00 C ATOM 721 CD LYS A 86 -4.330 -0.610 -15.007 1.00 0.00 C ATOM 722 CE LYS A 86 -5.743 -1.172 -15.065 1.00 0.00 C ATOM 723 NZ LYS A 86 -5.873 -2.428 -14.277 1.00 0.00 N ATOM 0 H LYS A 86 -2.840 -2.724 -13.427 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.627 -0.098 -13.164 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.261 -1.403 -12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.830 0.092 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.078 0.785 -13.558 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.415 1.069 -14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.124 -0.045 -15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.612 -1.430 -14.971 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.445 -0.430 -14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.015 -1.365 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.691 -2.971 -14.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.009 -2.997 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.010 -2.195 -13.273 1.00 0.00 H new ATOM 737 N THR A 87 -2.120 -2.039 -10.522 1.00 0.00 N ATOM 738 CA THR A 87 -1.668 -2.295 -9.161 1.00 0.00 C ATOM 739 C THR A 87 -0.193 -2.681 -9.134 1.00 0.00 C ATOM 740 O THR A 87 0.284 -3.414 -10.001 1.00 0.00 O ATOM 741 CB THR A 87 -2.491 -3.414 -8.496 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.884 -3.229 -8.774 1.00 0.00 O ATOM 743 CG2 THR A 87 -2.267 -3.431 -6.992 1.00 0.00 C ATOM 0 H THR A 87 -2.839 -2.681 -10.855 1.00 0.00 H new ATOM 0 HA THR A 87 -1.809 -1.369 -8.603 1.00 0.00 H new ATOM 0 HB THR A 87 -2.162 -4.369 -8.907 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.154 -2.326 -8.505 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.859 -4.230 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.211 -3.602 -6.783 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.571 -2.474 -6.568 1.00 0.00 H new ATOM 751 N THR A 88 0.526 -2.183 -8.133 1.00 0.00 N ATOM 752 CA THR A 88 1.947 -2.475 -7.993 1.00 0.00 C ATOM 753 C THR A 88 2.186 -3.555 -6.944 1.00 0.00 C ATOM 754 O THR A 88 2.779 -4.595 -7.233 1.00 0.00 O ATOM 755 CB THR A 88 2.745 -1.215 -7.608 1.00 0.00 C ATOM 756 OG1 THR A 88 2.351 -0.765 -6.307 1.00 0.00 O ATOM 757 CG2 THR A 88 2.524 -0.103 -8.623 1.00 0.00 C ATOM 0 H THR A 88 0.147 -1.575 -7.407 1.00 0.00 H new ATOM 0 HA THR A 88 2.293 -2.832 -8.963 1.00 0.00 H new ATOM 0 HB THR A 88 3.804 -1.471 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.407 -0.502 -6.324 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.098 0.776 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 88 2.851 -0.438 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.465 0.151 -8.660 1.00 0.00 H new ATOM 765 N HIS A 89 1.721 -3.301 -5.725 1.00 0.00 N ATOM 766 CA HIS A 89 1.884 -4.253 -4.631 1.00 0.00 C ATOM 767 C HIS A 89 0.529 -4.761 -4.147 1.00 0.00 C ATOM 768 O HIS A 89 -0.501 -4.130 -4.384 1.00 0.00 O ATOM 769 CB HIS A 89 2.643 -3.607 -3.473 1.00 0.00 C ATOM 770 CG HIS A 89 3.957 -3.012 -3.875 1.00 0.00 C ATOM 771 ND1 HIS A 89 4.085 -1.728 -4.361 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.207 -3.533 -3.861 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.356 -1.485 -4.629 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.057 -2.565 -4.334 1.00 0.00 N ATOM 0 H HIS A 89 1.229 -2.445 -5.470 1.00 0.00 H new ATOM 0 HA HIS A 89 2.459 -5.101 -5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.021 -2.828 -3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.814 -4.355 -2.699 1.00 0.00 H new ATOM 0 HD1 HIS A 89 3.318 -1.069 -4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.483 -4.526 -3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.754 -0.561 -5.022 1.00 0.00 H new ATOM 782 N ILE A 90 0.539 -5.904 -3.470 1.00 0.00 N ATOM 783 CA ILE A 90 -0.689 -6.496 -2.953 1.00 0.00 C ATOM 784 C ILE A 90 -0.702 -6.491 -1.428 1.00 0.00 C ATOM 785 O ILE A 90 0.127 -7.140 -0.789 1.00 0.00 O ATOM 786 CB ILE A 90 -0.872 -7.941 -3.453 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.991 -7.965 -4.978 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.098 -8.572 -2.810 1.00 0.00 C ATOM 789 CD1 ILE A 90 -1.134 -9.358 -5.551 1.00 0.00 C ATOM 0 H ILE A 90 1.383 -6.439 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.513 -5.886 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 90 0.004 -8.523 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.853 -7.368 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.110 -7.492 -5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.214 -9.593 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.975 -8.584 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.984 -7.992 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.213 -9.299 -6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.261 -9.953 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.031 -9.827 -5.147 1.00 0.00 H new ATOM 801 N ILE A 91 -1.648 -5.758 -0.852 1.00 0.00 N ATOM 802 CA ILE A 91 -1.770 -5.672 0.598 1.00 0.00 C ATOM 803 C ILE A 91 -2.591 -6.832 1.150 1.00 0.00 C ATOM 804 O ILE A 91 -3.755 -7.007 0.792 1.00 0.00 O ATOM 805 CB ILE A 91 -2.421 -4.344 1.031 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.515 -3.165 0.670 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.711 -4.359 2.524 1.00 0.00 C ATOM 808 CD1 ILE A 91 -0.136 -3.252 1.286 1.00 0.00 C ATOM 0 H ILE A 91 -2.341 -5.215 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.759 -5.720 1.003 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.365 -4.228 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.417 -3.111 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.991 -2.239 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.171 -3.414 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.391 -5.179 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.780 -4.494 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.451 -2.384 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.224 -3.275 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.359 -4.160 0.943 1.00 0.00 H new ATOM 820 N ALA A 92 -1.977 -7.620 2.026 1.00 0.00 N ATOM 821 CA ALA A 92 -2.653 -8.761 2.632 1.00 0.00 C ATOM 822 C ALA A 92 -1.880 -9.279 3.840 1.00 0.00 C ATOM 823 O ALA A 92 -0.650 -9.338 3.825 1.00 0.00 O ATOM 824 CB ALA A 92 -2.837 -9.870 1.606 1.00 0.00 C ATOM 0 H ALA A 92 -1.013 -7.490 2.332 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.634 -8.431 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.343 -10.716 2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.438 -9.501 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.863 -10.189 1.236 1.00 0.00 H new ATOM 830 N THR A 93 -2.609 -9.654 4.887 1.00 0.00 N ATOM 831 CA THR A 93 -1.992 -10.165 6.104 1.00 0.00 C ATOM 832 C THR A 93 -1.438 -11.570 5.892 1.00 0.00 C ATOM 833 O THR A 93 -0.258 -11.824 6.129 1.00 0.00 O ATOM 834 CB THR A 93 -2.994 -10.191 7.274 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.673 -11.451 7.308 1.00 0.00 O ATOM 836 CG2 THR A 93 -4.008 -9.065 7.142 1.00 0.00 C ATOM 0 H THR A 93 -3.628 -9.613 4.916 1.00 0.00 H new ATOM 0 HA THR A 93 -1.174 -9.489 6.351 1.00 0.00 H new ATOM 0 HB THR A 93 -2.440 -10.052 8.203 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.307 -11.461 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.705 -9.103 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.490 -8.106 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.557 -9.178 6.207 1.00 0.00 H new ATOM 844 N ASN A 94 -2.299 -12.478 5.444 1.00 0.00 N ATOM 845 CA ASN A 94 -1.895 -13.858 5.200 1.00 0.00 C ATOM 846 C ASN A 94 -2.574 -14.410 3.950 1.00 0.00 C ATOM 847 O ASN A 94 -3.638 -13.938 3.547 1.00 0.00 O ATOM 848 CB ASN A 94 -2.237 -14.733 6.408 1.00 0.00 C ATOM 849 CG ASN A 94 -1.104 -14.796 7.414 1.00 0.00 C ATOM 850 OD1 ASN A 94 -0.958 -13.911 8.257 1.00 0.00 O ATOM 851 ND2 ASN A 94 -0.297 -15.847 7.330 1.00 0.00 N ATOM 0 H ASN A 94 -3.280 -12.283 5.243 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.816 -13.872 5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -3.131 -14.343 6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.474 -15.741 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.482 -15.945 7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.456 -16.556 6.615 1.00 0.00 H new ATOM 858 N LEU A 95 -1.952 -15.414 3.340 1.00 0.00 N ATOM 859 CA LEU A 95 -2.495 -16.032 2.136 1.00 0.00 C ATOM 860 C LEU A 95 -2.273 -17.541 2.150 1.00 0.00 C ATOM 861 O LEU A 95 -1.256 -18.038 2.634 1.00 0.00 O ATOM 862 CB LEU A 95 -1.851 -15.422 0.890 1.00 0.00 C ATOM 863 CG LEU A 95 -2.079 -13.924 0.681 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.049 -13.356 -0.283 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.489 -13.666 0.171 1.00 0.00 C ATOM 0 H LEU A 95 -1.071 -15.817 3.660 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.568 -15.842 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.777 -15.603 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.227 -15.952 0.015 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.963 -13.421 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.227 -12.289 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.049 -13.508 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.132 -13.863 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.634 -12.595 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.633 -14.182 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.212 -14.036 0.898 1.00 0.00 H new ATOM 877 N PRO A 96 -3.245 -18.288 1.605 1.00 0.00 N ATOM 878 CA PRO A 96 -3.176 -19.751 1.541 1.00 0.00 C ATOM 879 C PRO A 96 -2.116 -20.239 0.560 1.00 0.00 C ATOM 880 O PRO A 96 -1.643 -19.480 -0.285 1.00 0.00 O ATOM 881 CB PRO A 96 -4.574 -20.150 1.061 1.00 0.00 C ATOM 882 CG PRO A 96 -5.074 -18.959 0.317 1.00 0.00 C ATOM 883 CD PRO A 96 -4.484 -17.762 1.010 1.00 0.00 C ATOM 0 HA PRO A 96 -2.898 -20.189 2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.536 -21.030 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.226 -20.395 1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.768 -18.995 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.163 -18.920 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.281 -16.952 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.157 -17.365 1.770 1.00 0.00 H new ATOM 891 N ASN A 97 -1.748 -21.511 0.677 1.00 0.00 N ATOM 892 CA ASN A 97 -0.744 -22.100 -0.200 1.00 0.00 C ATOM 893 C ASN A 97 -1.123 -21.911 -1.666 1.00 0.00 C ATOM 894 O ASN A 97 -0.266 -21.658 -2.511 1.00 0.00 O ATOM 895 CB ASN A 97 -0.578 -23.590 0.108 1.00 0.00 C ATOM 896 CG ASN A 97 -1.602 -24.446 -0.611 1.00 0.00 C ATOM 897 OD1 ASN A 97 -1.422 -24.803 -1.776 1.00 0.00 O ATOM 898 ND2 ASN A 97 -2.685 -24.780 0.081 1.00 0.00 N ATOM 0 H ASN A 97 -2.131 -22.153 1.371 1.00 0.00 H new ATOM 0 HA ASN A 97 0.203 -21.591 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.424 -23.908 -0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.666 -23.748 1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.409 -25.355 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.793 -24.462 1.044 1.00 0.00 H new ATOM 905 N ALA A 98 -2.414 -22.036 -1.958 1.00 0.00 N ATOM 906 CA ALA A 98 -2.907 -21.877 -3.320 1.00 0.00 C ATOM 907 C ALA A 98 -2.641 -20.468 -3.839 1.00 0.00 C ATOM 908 O ALA A 98 -2.144 -20.288 -4.951 1.00 0.00 O ATOM 909 CB ALA A 98 -4.394 -22.192 -3.382 1.00 0.00 C ATOM 0 H ALA A 98 -3.136 -22.247 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.371 -22.579 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.750 -22.069 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.562 -23.220 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.937 -21.513 -2.725 1.00 0.00 H new ATOM 915 N LYS A 99 -2.976 -19.470 -3.028 1.00 0.00 N ATOM 916 CA LYS A 99 -2.773 -18.076 -3.404 1.00 0.00 C ATOM 917 C LYS A 99 -1.306 -17.808 -3.726 1.00 0.00 C ATOM 918 O LYS A 99 -0.975 -17.343 -4.817 1.00 0.00 O ATOM 919 CB LYS A 99 -3.237 -17.150 -2.278 1.00 0.00 C ATOM 920 CG LYS A 99 -4.699 -16.752 -2.382 1.00 0.00 C ATOM 921 CD LYS A 99 -4.934 -15.785 -3.530 1.00 0.00 C ATOM 922 CE LYS A 99 -6.358 -15.878 -4.055 1.00 0.00 C ATOM 923 NZ LYS A 99 -6.645 -17.214 -4.647 1.00 0.00 N ATOM 0 H LYS A 99 -3.390 -19.601 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.365 -17.876 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.071 -17.644 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.623 -16.250 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.310 -17.643 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.019 -16.293 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.734 -14.767 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.233 -15.999 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.058 -15.683 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.519 -15.105 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.401 -17.125 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.786 -17.584 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.949 -17.868 -3.898 1.00 0.00 H new ATOM 937 N ILE A 100 -0.432 -18.104 -2.770 1.00 0.00 N ATOM 938 CA ILE A 100 0.999 -17.897 -2.954 1.00 0.00 C ATOM 939 C ILE A 100 1.439 -18.308 -4.355 1.00 0.00 C ATOM 940 O ILE A 100 2.125 -17.557 -5.049 1.00 0.00 O ATOM 941 CB ILE A 100 1.820 -18.687 -1.918 1.00 0.00 C ATOM 942 CG1 ILE A 100 1.461 -18.237 -0.500 1.00 0.00 C ATOM 943 CG2 ILE A 100 3.309 -18.510 -2.175 1.00 0.00 C ATOM 944 CD1 ILE A 100 1.619 -19.327 0.538 1.00 0.00 C ATOM 0 H ILE A 100 -0.690 -18.488 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 100 1.183 -16.832 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 100 1.578 -19.745 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.091 -17.391 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.430 -17.883 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.876 -19.074 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.552 -18.875 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.568 -17.454 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.347 -18.937 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.968 -20.165 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.655 -19.665 0.556 1.00 0.00 H new ATOM 956 N LYS A 101 1.039 -19.506 -4.767 1.00 0.00 N ATOM 957 CA LYS A 101 1.388 -20.019 -6.087 1.00 0.00 C ATOM 958 C LYS A 101 0.893 -19.080 -7.183 1.00 0.00 C ATOM 959 O LYS A 101 1.634 -18.746 -8.106 1.00 0.00 O ATOM 960 CB LYS A 101 0.793 -21.414 -6.289 1.00 0.00 C ATOM 961 CG LYS A 101 1.268 -22.100 -7.558 1.00 0.00 C ATOM 962 CD LYS A 101 0.273 -23.145 -8.033 1.00 0.00 C ATOM 963 CE LYS A 101 -0.890 -22.508 -8.780 1.00 0.00 C ATOM 964 NZ LYS A 101 -1.939 -23.506 -9.127 1.00 0.00 N ATOM 0 H LYS A 101 0.472 -20.141 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 101 2.474 -20.082 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.049 -22.037 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.294 -21.336 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.417 -21.356 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.234 -22.572 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.777 -23.860 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.105 -23.704 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.327 -21.720 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.522 -22.036 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.714 -23.033 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.528 -24.245 -9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.309 -23.938 -8.256 1.00 0.00 H new ATOM 978 N GLU A 102 -0.362 -18.658 -7.072 1.00 0.00 N ATOM 979 CA GLU A 102 -0.954 -17.757 -8.054 1.00 0.00 C ATOM 980 C GLU A 102 -0.182 -16.442 -8.121 1.00 0.00 C ATOM 981 O GLU A 102 0.005 -15.873 -9.198 1.00 0.00 O ATOM 982 CB GLU A 102 -2.420 -17.484 -7.711 1.00 0.00 C ATOM 983 CG GLU A 102 -3.120 -16.576 -8.708 1.00 0.00 C ATOM 984 CD GLU A 102 -2.838 -16.963 -10.147 1.00 0.00 C ATOM 985 OE1 GLU A 102 -3.116 -18.124 -10.515 1.00 0.00 O ATOM 986 OE2 GLU A 102 -2.338 -16.105 -10.904 1.00 0.00 O ATOM 0 H GLU A 102 -0.988 -18.925 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.901 -18.240 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.955 -18.432 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.474 -17.032 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.195 -16.608 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.801 -15.547 -8.543 1.00 0.00 H new ATOM 993 N LEU A 103 0.263 -15.965 -6.964 1.00 0.00 N ATOM 994 CA LEU A 103 1.014 -14.717 -6.890 1.00 0.00 C ATOM 995 C LEU A 103 2.499 -14.959 -7.143 1.00 0.00 C ATOM 996 O LEU A 103 3.357 -14.359 -6.495 1.00 0.00 O ATOM 997 CB LEU A 103 0.819 -14.062 -5.522 1.00 0.00 C ATOM 998 CG LEU A 103 -0.624 -13.966 -5.023 1.00 0.00 C ATOM 999 CD1 LEU A 103 -0.658 -13.514 -3.572 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -1.428 -13.017 -5.899 1.00 0.00 C ATOM 0 H LEU A 103 0.117 -16.423 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 103 0.636 -14.048 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.400 -14.621 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.237 -13.056 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.076 -14.956 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.693 -13.451 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.118 -14.232 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.188 -12.534 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.452 -12.961 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.977 -12.025 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.432 -13.384 -6.925 1.00 0.00 H new ATOM 1012 N LYS A 104 2.796 -15.842 -8.091 1.00 0.00 N ATOM 1013 CA LYS A 104 4.176 -16.162 -8.434 1.00 0.00 C ATOM 1014 C LYS A 104 4.933 -14.911 -8.871 1.00 0.00 C ATOM 1015 O LYS A 104 4.494 -14.190 -9.765 1.00 0.00 O ATOM 1016 CB LYS A 104 4.217 -17.211 -9.547 1.00 0.00 C ATOM 1017 CG LYS A 104 5.529 -17.974 -9.617 1.00 0.00 C ATOM 1018 CD LYS A 104 5.583 -19.084 -8.580 1.00 0.00 C ATOM 1019 CE LYS A 104 4.719 -20.268 -8.986 1.00 0.00 C ATOM 1020 NZ LYS A 104 5.426 -21.173 -9.933 1.00 0.00 N ATOM 0 H LYS A 104 2.098 -16.349 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 104 4.660 -16.566 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.402 -17.919 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.041 -16.720 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.651 -18.399 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.360 -17.286 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.614 -19.412 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.247 -18.700 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.429 -20.828 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.800 -19.906 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.803 -21.967 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.680 -20.646 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.289 -21.539 -9.484 1.00 0.00 H new ATOM 1034 N GLY A 105 6.073 -14.661 -8.234 1.00 0.00 N ATOM 1035 CA GLY A 105 6.872 -13.498 -8.572 1.00 0.00 C ATOM 1036 C GLY A 105 6.385 -12.240 -7.881 1.00 0.00 C ATOM 1037 O GLY A 105 7.184 -11.384 -7.503 1.00 0.00 O ATOM 0 H GLY A 105 6.457 -15.243 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.910 -13.682 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.851 -13.348 -9.651 1.00 0.00 H new ATOM 1041 N GLU A 106 5.071 -12.126 -7.717 1.00 0.00 N ATOM 1042 CA GLU A 106 4.480 -10.961 -7.070 1.00 0.00 C ATOM 1043 C GLU A 106 5.133 -10.703 -5.715 1.00 0.00 C ATOM 1044 O GLU A 106 5.911 -11.519 -5.221 1.00 0.00 O ATOM 1045 CB GLU A 106 2.973 -11.158 -6.893 1.00 0.00 C ATOM 1046 CG GLU A 106 2.194 -11.096 -8.196 1.00 0.00 C ATOM 1047 CD GLU A 106 2.709 -12.077 -9.231 1.00 0.00 C ATOM 1048 OE1 GLU A 106 3.682 -11.738 -9.937 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.139 -13.183 -9.335 1.00 0.00 O ATOM 0 H GLU A 106 4.396 -12.826 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 106 4.653 -10.095 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.795 -12.123 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.592 -10.394 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.143 -11.303 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.249 -10.085 -8.600 1.00 0.00 H new ATOM 1056 N LYS A 107 4.810 -9.560 -5.118 1.00 0.00 N ATOM 1057 CA LYS A 107 5.363 -9.191 -3.820 1.00 0.00 C ATOM 1058 C LYS A 107 4.262 -8.732 -2.870 1.00 0.00 C ATOM 1059 O LYS A 107 3.834 -7.578 -2.912 1.00 0.00 O ATOM 1060 CB LYS A 107 6.406 -8.083 -3.983 1.00 0.00 C ATOM 1061 CG LYS A 107 6.041 -7.055 -5.040 1.00 0.00 C ATOM 1062 CD LYS A 107 7.167 -6.058 -5.260 1.00 0.00 C ATOM 1063 CE LYS A 107 7.024 -5.342 -6.594 1.00 0.00 C ATOM 1064 NZ LYS A 107 5.645 -4.817 -6.798 1.00 0.00 N ATOM 0 H LYS A 107 4.168 -8.873 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 107 5.842 -10.072 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.539 -7.577 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.365 -8.533 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.814 -7.561 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.138 -6.525 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.170 -5.327 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.125 -6.576 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.737 -4.519 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.275 -6.028 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.264 -5.181 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.037 -5.125 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.670 -3.778 -6.829 1.00 0.00 H new ATOM 1078 N VAL A 108 3.808 -9.641 -2.013 1.00 0.00 N ATOM 1079 CA VAL A 108 2.759 -9.328 -1.051 1.00 0.00 C ATOM 1080 C VAL A 108 3.332 -8.643 0.185 1.00 0.00 C ATOM 1081 O VAL A 108 4.043 -9.263 0.976 1.00 0.00 O ATOM 1082 CB VAL A 108 2.000 -10.595 -0.616 1.00 0.00 C ATOM 1083 CG1 VAL A 108 0.750 -10.227 0.169 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.647 -11.447 -1.827 1.00 0.00 C ATOM 0 H VAL A 108 4.151 -10.601 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 108 2.065 -8.651 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 108 2.649 -11.180 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.227 -11.136 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.032 -9.662 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.094 -9.620 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.111 -12.338 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.016 -10.872 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.561 -11.742 -2.343 1.00 0.00 H new ATOM 1094 N ILE A 109 3.018 -7.362 0.344 1.00 0.00 N ATOM 1095 CA ILE A 109 3.501 -6.593 1.484 1.00 0.00 C ATOM 1096 C ILE A 109 2.402 -6.400 2.522 1.00 0.00 C ATOM 1097 O ILE A 109 1.230 -6.245 2.179 1.00 0.00 O ATOM 1098 CB ILE A 109 4.030 -5.213 1.050 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.889 -5.345 -0.210 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.827 -4.573 2.176 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.026 -6.333 -0.065 1.00 0.00 C ATOM 0 H ILE A 109 2.431 -6.835 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 109 4.318 -7.163 1.925 1.00 0.00 H new ATOM 0 HB ILE A 109 3.180 -4.570 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.255 -5.652 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.298 -4.367 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.194 -3.599 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.187 -4.449 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.672 -5.212 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.592 -6.375 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.683 -6.016 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.623 -7.321 0.160 1.00 0.00 H new ATOM 1113 N ARG A 110 2.788 -6.410 3.794 1.00 0.00 N ATOM 1114 CA ARG A 110 1.834 -6.235 4.883 1.00 0.00 C ATOM 1115 C ARG A 110 1.304 -4.805 4.917 1.00 0.00 C ATOM 1116 O ARG A 110 1.971 -3.859 4.497 1.00 0.00 O ATOM 1117 CB ARG A 110 2.489 -6.579 6.222 1.00 0.00 C ATOM 1118 CG ARG A 110 3.155 -7.945 6.241 1.00 0.00 C ATOM 1119 CD ARG A 110 3.159 -8.544 7.639 1.00 0.00 C ATOM 1120 NE ARG A 110 4.173 -9.584 7.786 1.00 0.00 N ATOM 1121 CZ ARG A 110 4.556 -10.077 8.959 1.00 0.00 C ATOM 1122 NH1 ARG A 110 4.010 -9.627 10.081 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.485 -11.023 9.011 1.00 0.00 N ATOM 0 H ARG A 110 3.754 -6.537 4.096 1.00 0.00 H new ATOM 0 HA ARG A 110 0.996 -6.911 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.233 -5.818 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.733 -6.542 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.632 -8.615 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.179 -7.857 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.339 -7.756 8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.176 -8.962 7.857 1.00 0.00 H new ATOM 0 HE ARG A 110 4.612 -9.952 6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.294 -8.901 10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.306 -10.007 10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.906 -11.372 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.778 -11.401 9.912 1.00 0.00 H new ATOM 1137 N PRO A 111 0.074 -4.641 5.428 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.573 -3.330 5.528 1.00 0.00 C ATOM 1139 C PRO A 111 0.086 -2.437 6.574 1.00 0.00 C ATOM 1140 O PRO A 111 -0.340 -1.303 6.791 1.00 0.00 O ATOM 1141 CB PRO A 111 -2.006 -3.673 5.945 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.895 -4.989 6.634 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.778 -5.724 5.947 1.00 0.00 C ATOM 0 HA PRO A 111 -0.508 -2.771 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.418 -2.912 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.666 -3.733 5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.681 -4.857 7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.829 -5.546 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.234 -6.367 6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.150 -6.362 5.145 1.00 0.00 H new ATOM 1151 N GLU A 112 1.128 -2.955 7.216 1.00 0.00 N ATOM 1152 CA GLU A 112 1.845 -2.203 8.239 1.00 0.00 C ATOM 1153 C GLU A 112 2.952 -1.357 7.616 1.00 0.00 C ATOM 1154 O GLU A 112 3.268 -0.272 8.105 1.00 0.00 O ATOM 1155 CB GLU A 112 2.439 -3.154 9.281 1.00 0.00 C ATOM 1156 CG GLU A 112 1.458 -3.552 10.370 1.00 0.00 C ATOM 1157 CD GLU A 112 1.739 -4.933 10.931 1.00 0.00 C ATOM 1158 OE1 GLU A 112 2.643 -5.053 11.784 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.055 -5.892 10.517 1.00 0.00 O ATOM 0 H GLU A 112 1.494 -3.892 7.046 1.00 0.00 H new ATOM 0 HA GLU A 112 1.135 -1.537 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.796 -4.053 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.306 -2.680 9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.500 -2.820 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.445 -3.526 9.969 1.00 0.00 H new ATOM 1166 N TRP A 113 3.537 -1.862 6.536 1.00 0.00 N ATOM 1167 CA TRP A 113 4.609 -1.153 5.846 1.00 0.00 C ATOM 1168 C TRP A 113 4.171 0.255 5.462 1.00 0.00 C ATOM 1169 O TRP A 113 4.921 1.217 5.634 1.00 0.00 O ATOM 1170 CB TRP A 113 5.039 -1.926 4.598 1.00 0.00 C ATOM 1171 CG TRP A 113 5.795 -1.089 3.612 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.962 -0.414 3.834 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.436 -0.836 2.249 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.350 0.243 2.691 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.431 -0.001 1.705 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.373 -1.236 1.435 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.391 0.441 0.385 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.334 -0.796 0.126 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.338 0.035 -0.389 1.00 0.00 C ATOM 0 H TRP A 113 3.288 -2.759 6.119 1.00 0.00 H new ATOM 0 HA TRP A 113 5.457 -1.076 6.527 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.660 -2.770 4.898 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.155 -2.338 4.112 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.500 -0.399 4.770 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.186 0.819 2.593 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.596 -1.878 1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.164 1.082 -0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.516 -1.098 -0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.280 0.361 -1.417 1.00 0.00 H new ATOM 1190 N ILE A 114 2.955 0.370 4.940 1.00 0.00 N ATOM 1191 CA ILE A 114 2.418 1.663 4.532 1.00 0.00 C ATOM 1192 C ILE A 114 2.177 2.563 5.739 1.00 0.00 C ATOM 1193 O ILE A 114 2.659 3.695 5.789 1.00 0.00 O ATOM 1194 CB ILE A 114 1.100 1.504 3.752 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.369 0.916 2.365 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.388 2.844 3.636 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.126 0.399 1.676 1.00 0.00 C ATOM 0 H ILE A 114 2.323 -0.416 4.789 1.00 0.00 H new ATOM 0 HA ILE A 114 3.162 2.123 3.882 1.00 0.00 H new ATOM 0 HB ILE A 114 0.454 0.817 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.831 1.680 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.088 0.102 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.542 2.715 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.167 3.226 4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.028 3.552 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.392 -0.003 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.325 -0.388 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.587 1.214 1.551 1.00 0.00 H new ATOM 1209 N VAL A 115 1.428 2.053 6.711 1.00 0.00 N ATOM 1210 CA VAL A 115 1.125 2.809 7.920 1.00 0.00 C ATOM 1211 C VAL A 115 2.398 3.340 8.570 1.00 0.00 C ATOM 1212 O VAL A 115 2.418 4.448 9.105 1.00 0.00 O ATOM 1213 CB VAL A 115 0.359 1.949 8.943 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.092 2.742 10.213 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.940 1.437 8.341 1.00 0.00 C ATOM 0 H VAL A 115 1.020 1.119 6.685 1.00 0.00 H new ATOM 0 HA VAL A 115 0.497 3.648 7.620 1.00 0.00 H new ATOM 0 HB VAL A 115 0.976 1.089 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.450 2.119 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.039 3.055 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.505 3.622 9.974 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.468 0.831 9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.564 2.282 8.051 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.720 0.830 7.463 1.00 0.00 H new ATOM 1225 N GLU A 116 3.459 2.541 8.519 1.00 0.00 N ATOM 1226 CA GLU A 116 4.737 2.931 9.104 1.00 0.00 C ATOM 1227 C GLU A 116 5.365 4.080 8.321 1.00 0.00 C ATOM 1228 O GLU A 116 5.905 5.021 8.905 1.00 0.00 O ATOM 1229 CB GLU A 116 5.694 1.737 9.135 1.00 0.00 C ATOM 1230 CG GLU A 116 5.274 0.646 10.106 1.00 0.00 C ATOM 1231 CD GLU A 116 5.641 0.969 11.541 1.00 0.00 C ATOM 1232 OE1 GLU A 116 4.870 1.696 12.202 1.00 0.00 O ATOM 1233 OE2 GLU A 116 6.699 0.494 12.004 1.00 0.00 O ATOM 0 H GLU A 116 3.459 1.621 8.079 1.00 0.00 H new ATOM 0 HA GLU A 116 4.554 3.267 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.765 1.313 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.690 2.087 9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.197 0.497 10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.745 -0.293 9.817 1.00 0.00 H new ATOM 1240 N SER A 117 5.292 3.997 6.997 1.00 0.00 N ATOM 1241 CA SER A 117 5.857 5.027 6.133 1.00 0.00 C ATOM 1242 C SER A 117 5.169 6.368 6.367 1.00 0.00 C ATOM 1243 O SER A 117 5.775 7.427 6.196 1.00 0.00 O ATOM 1244 CB SER A 117 5.722 4.621 4.664 1.00 0.00 C ATOM 1245 OG SER A 117 6.215 3.309 4.451 1.00 0.00 O ATOM 0 H SER A 117 4.847 3.227 6.498 1.00 0.00 H new ATOM 0 HA SER A 117 6.914 5.132 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.676 4.673 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.269 5.325 4.037 1.00 0.00 H new ATOM 0 HG SER A 117 5.586 2.658 4.827 1.00 0.00 H new ATOM 1251 N ILE A 118 3.900 6.316 6.757 1.00 0.00 N ATOM 1252 CA ILE A 118 3.130 7.526 7.015 1.00 0.00 C ATOM 1253 C ILE A 118 3.477 8.119 8.377 1.00 0.00 C ATOM 1254 O ILE A 118 3.813 9.298 8.486 1.00 0.00 O ATOM 1255 CB ILE A 118 1.615 7.252 6.958 1.00 0.00 C ATOM 1256 CG1 ILE A 118 1.212 6.783 5.559 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.836 8.499 7.350 1.00 0.00 C ATOM 1258 CD1 ILE A 118 0.003 5.874 5.551 1.00 0.00 C ATOM 0 H ILE A 118 3.383 5.448 6.901 1.00 0.00 H new ATOM 0 HA ILE A 118 3.392 8.239 6.233 1.00 0.00 H new ATOM 0 HB ILE A 118 1.377 6.460 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.005 7.655 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.053 6.260 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.233 8.290 7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.106 8.793 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 118 1.076 9.309 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.225 5.581 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 118 0.213 4.984 6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.851 6.401 5.976 1.00 0.00 H new ATOM 1270 N LYS A 119 3.395 7.292 9.414 1.00 0.00 N ATOM 1271 CA LYS A 119 3.703 7.732 10.770 1.00 0.00 C ATOM 1272 C LYS A 119 5.086 8.373 10.832 1.00 0.00 C ATOM 1273 O LYS A 119 5.282 9.383 11.507 1.00 0.00 O ATOM 1274 CB LYS A 119 3.633 6.551 11.740 1.00 0.00 C ATOM 1275 CG LYS A 119 2.256 5.916 11.825 1.00 0.00 C ATOM 1276 CD LYS A 119 2.331 4.489 12.342 1.00 0.00 C ATOM 1277 CE LYS A 119 2.258 4.442 13.861 1.00 0.00 C ATOM 1278 NZ LYS A 119 2.151 3.045 14.368 1.00 0.00 N ATOM 0 H LYS A 119 3.118 6.313 9.341 1.00 0.00 H new ATOM 0 HA LYS A 119 2.962 8.477 11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.355 5.795 11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.930 6.889 12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.621 6.509 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.790 5.923 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.514 3.904 11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.260 4.028 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.146 4.914 14.282 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.398 5.019 14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.104 3.055 15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.291 2.602 13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.984 2.501 14.065 1.00 0.00 H new ATOM 1292 N ALA A 120 6.041 7.780 10.123 1.00 0.00 N ATOM 1293 CA ALA A 120 7.404 8.296 10.096 1.00 0.00 C ATOM 1294 C ALA A 120 7.496 9.560 9.248 1.00 0.00 C ATOM 1295 O ALA A 120 8.247 10.480 9.568 1.00 0.00 O ATOM 1296 CB ALA A 120 8.359 7.234 9.570 1.00 0.00 C ATOM 0 H ALA A 120 5.896 6.942 9.560 1.00 0.00 H new ATOM 0 HA ALA A 120 7.690 8.553 11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.374 7.632 9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.322 6.359 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.066 6.950 8.559 1.00 0.00 H new ATOM 1302 N GLY A 121 6.727 9.597 8.164 1.00 0.00 N ATOM 1303 CA GLY A 121 6.737 10.753 7.287 1.00 0.00 C ATOM 1304 C GLY A 121 7.660 10.570 6.098 1.00 0.00 C ATOM 1305 O GLY A 121 8.102 11.546 5.491 1.00 0.00 O ATOM 0 H GLY A 121 6.098 8.847 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.725 10.944 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.047 11.632 7.852 1.00 0.00 H new ATOM 1309 N ARG A 122 7.953 9.317 5.766 1.00 0.00 N ATOM 1310 CA ARG A 122 8.831 9.010 4.644 1.00 0.00 C ATOM 1311 C ARG A 122 8.648 7.565 4.190 1.00 0.00 C ATOM 1312 O ARG A 122 8.393 6.675 5.003 1.00 0.00 O ATOM 1313 CB ARG A 122 10.291 9.253 5.030 1.00 0.00 C ATOM 1314 CG ARG A 122 10.755 8.419 6.213 1.00 0.00 C ATOM 1315 CD ARG A 122 11.332 7.086 5.762 1.00 0.00 C ATOM 1316 NE ARG A 122 12.768 7.167 5.512 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.467 6.204 4.922 1.00 0.00 C ATOM 1318 NH1 ARG A 122 12.865 5.092 4.525 1.00 0.00 N ATOM 1319 NH2 ARG A 122 14.772 6.352 4.729 1.00 0.00 N ATOM 0 H ARG A 122 7.595 8.498 6.258 1.00 0.00 H new ATOM 0 HA ARG A 122 8.566 9.669 3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.926 9.035 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.425 10.309 5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 122 11.508 8.971 6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.917 8.244 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 122 11.139 6.331 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 122 10.824 6.760 4.854 1.00 0.00 H new ATOM 0 HE ARG A 122 13.262 8.010 5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.863 4.974 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.404 4.354 4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 122 15.239 7.206 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.308 5.612 4.276 1.00 0.00 H new ATOM 1333 N LEU A 123 8.779 7.338 2.887 1.00 0.00 N ATOM 1334 CA LEU A 123 8.627 6.001 2.324 1.00 0.00 C ATOM 1335 C LEU A 123 9.660 5.043 2.911 1.00 0.00 C ATOM 1336 O LEU A 123 10.826 5.400 3.084 1.00 0.00 O ATOM 1337 CB LEU A 123 8.765 6.048 0.802 1.00 0.00 C ATOM 1338 CG LEU A 123 8.100 4.908 0.031 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.592 4.937 0.231 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.445 4.990 -1.448 1.00 0.00 C ATOM 0 H LEU A 123 8.990 8.063 2.201 1.00 0.00 H new ATOM 0 HA LEU A 123 7.632 5.636 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.347 6.991 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.826 6.057 0.554 1.00 0.00 H new ATOM 0 HG LEU A 123 8.480 3.963 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.135 4.118 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.363 4.827 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.195 5.886 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.962 4.170 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.095 5.940 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.525 4.918 -1.574 1.00 0.00 H new ATOM 1352 N LEU A 124 9.225 3.825 3.213 1.00 0.00 N ATOM 1353 CA LEU A 124 10.112 2.814 3.777 1.00 0.00 C ATOM 1354 C LEU A 124 10.291 1.647 2.812 1.00 0.00 C ATOM 1355 O LEU A 124 9.680 1.611 1.744 1.00 0.00 O ATOM 1356 CB LEU A 124 9.557 2.307 5.110 1.00 0.00 C ATOM 1357 CG LEU A 124 9.175 3.381 6.129 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.087 2.870 7.061 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.396 3.822 6.923 1.00 0.00 C ATOM 0 H LEU A 124 8.263 3.513 3.077 1.00 0.00 H new ATOM 0 HA LEU A 124 11.085 3.274 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.676 1.698 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.300 1.651 5.564 1.00 0.00 H new ATOM 0 HG LEU A 124 8.786 4.244 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.828 3.648 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.204 2.605 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.448 1.990 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.105 4.587 7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.815 2.966 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.144 4.230 6.243 1.00 0.00 H new ATOM 1371 N SER A 125 11.133 0.692 3.196 1.00 0.00 N ATOM 1372 CA SER A 125 11.394 -0.477 2.364 1.00 0.00 C ATOM 1373 C SER A 125 10.418 -1.604 2.688 1.00 0.00 C ATOM 1374 O SER A 125 9.948 -1.727 3.819 1.00 0.00 O ATOM 1375 CB SER A 125 12.832 -0.960 2.563 1.00 0.00 C ATOM 1376 OG SER A 125 13.180 -1.936 1.597 1.00 0.00 O ATOM 0 H SER A 125 11.646 0.705 4.078 1.00 0.00 H new ATOM 0 HA SER A 125 11.256 -0.188 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.516 -0.114 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.943 -1.378 3.563 1.00 0.00 H new ATOM 0 HG SER A 125 14.104 -2.227 1.744 1.00 0.00 H new ATOM 1382 N TYR A 126 10.117 -2.423 1.686 1.00 0.00 N ATOM 1383 CA TYR A 126 9.195 -3.539 1.862 1.00 0.00 C ATOM 1384 C TYR A 126 9.954 -4.851 2.031 1.00 0.00 C ATOM 1385 O TYR A 126 9.377 -5.870 2.413 1.00 0.00 O ATOM 1386 CB TYR A 126 8.246 -3.636 0.667 1.00 0.00 C ATOM 1387 CG TYR A 126 8.943 -3.960 -0.635 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.361 -5.255 -0.918 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.183 -2.972 -1.582 1.00 0.00 C ATOM 1390 CE1 TYR A 126 9.999 -5.555 -2.106 1.00 0.00 C ATOM 1391 CE2 TYR A 126 9.819 -3.264 -2.773 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.225 -4.557 -3.031 1.00 0.00 C ATOM 1393 OH TYR A 126 10.860 -4.851 -4.216 1.00 0.00 O ATOM 0 H TYR A 126 10.498 -2.335 0.744 1.00 0.00 H new ATOM 0 HA TYR A 126 8.613 -3.358 2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.498 -4.402 0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.713 -2.691 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.184 -6.040 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 126 8.867 -1.959 -1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.319 -6.566 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 126 9.997 -2.484 -3.498 1.00 0.00 H new ATOM 0 HH TYR A 126 10.939 -4.037 -4.755 1.00 0.00 H new ATOM 1403 N ILE A 127 11.251 -4.818 1.745 1.00 0.00 N ATOM 1404 CA ILE A 127 12.091 -6.004 1.867 1.00 0.00 C ATOM 1405 C ILE A 127 11.819 -6.737 3.176 1.00 0.00 C ATOM 1406 O ILE A 127 11.454 -7.913 3.193 1.00 0.00 O ATOM 1407 CB ILE A 127 13.587 -5.644 1.794 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.077 -5.699 0.346 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.400 -6.585 2.670 1.00 0.00 C ATOM 1410 CD1 ILE A 127 13.784 -7.014 -0.342 1.00 0.00 C ATOM 0 H ILE A 127 11.743 -3.983 1.427 1.00 0.00 H new ATOM 0 HA ILE A 127 11.841 -6.656 1.030 1.00 0.00 H new ATOM 0 HB ILE A 127 13.720 -4.627 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.610 -4.891 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.152 -5.520 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.455 -6.319 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.064 -6.501 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.264 -7.610 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.159 -6.981 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.273 -7.824 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.708 -7.185 -0.356 1.00 0.00 H new ATOM 1422 N PRO A 128 11.998 -6.028 4.300 1.00 0.00 N ATOM 1423 CA PRO A 128 11.776 -6.591 5.635 1.00 0.00 C ATOM 1424 C PRO A 128 10.299 -6.849 5.917 1.00 0.00 C ATOM 1425 O PRO A 128 9.953 -7.690 6.747 1.00 0.00 O ATOM 1426 CB PRO A 128 12.318 -5.509 6.572 1.00 0.00 C ATOM 1427 CG PRO A 128 12.207 -4.244 5.793 1.00 0.00 C ATOM 1428 CD PRO A 128 12.432 -4.622 4.355 1.00 0.00 C ATOM 0 HA PRO A 128 12.262 -7.559 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.740 -5.458 7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.351 -5.711 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.226 -3.788 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.946 -3.515 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.850 -3.995 3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.478 -4.513 4.070 1.00 0.00 H new ATOM 1436 N TYR A 129 9.433 -6.120 5.221 1.00 0.00 N ATOM 1437 CA TYR A 129 7.994 -6.269 5.398 1.00 0.00 C ATOM 1438 C TYR A 129 7.421 -7.264 4.393 1.00 0.00 C ATOM 1439 O TYR A 129 6.216 -7.509 4.366 1.00 0.00 O ATOM 1440 CB TYR A 129 7.298 -4.915 5.246 1.00 0.00 C ATOM 1441 CG TYR A 129 7.505 -3.992 6.425 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.595 -3.132 6.476 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.612 -3.980 7.489 1.00 0.00 C ATOM 1444 CE1 TYR A 129 8.789 -2.287 7.552 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.797 -3.137 8.568 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.887 -2.293 8.595 1.00 0.00 C ATOM 1447 OH TYR A 129 8.076 -1.453 9.669 1.00 0.00 O ATOM 0 H TYR A 129 9.703 -5.420 4.529 1.00 0.00 H new ATOM 0 HA TYR A 129 7.815 -6.652 6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.666 -4.426 4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.229 -5.079 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.303 -3.124 5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.758 -4.641 7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.642 -1.626 7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 129 6.092 -3.139 9.386 1.00 0.00 H new ATOM 0 HH TYR A 129 8.541 -0.643 9.373 1.00 0.00 H new ATOM 1457 N GLN A 130 8.296 -7.833 3.570 1.00 0.00 N ATOM 1458 CA GLN A 130 7.878 -8.802 2.564 1.00 0.00 C ATOM 1459 C GLN A 130 7.417 -10.101 3.216 1.00 0.00 C ATOM 1460 O GLN A 130 8.223 -10.848 3.773 1.00 0.00 O ATOM 1461 CB GLN A 130 9.023 -9.084 1.590 1.00 0.00 C ATOM 1462 CG GLN A 130 8.558 -9.415 0.182 1.00 0.00 C ATOM 1463 CD GLN A 130 9.680 -9.926 -0.699 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.901 -9.487 -0.418 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.453 -10.708 -1.623 1.00 0.00 N flip ATOM 0 H GLN A 130 9.298 -7.640 3.580 1.00 0.00 H new ATOM 0 HA GLN A 130 7.039 -8.377 2.014 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.679 -8.214 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.617 -9.914 1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.769 -10.166 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.122 -8.525 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.499 -11.020 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 130 10.219 -11.043 -2.207 1.00 0.00 H new ATOM 1474 N LEU A 131 6.118 -10.365 3.144 1.00 0.00 N ATOM 1475 CA LEU A 131 5.549 -11.575 3.728 1.00 0.00 C ATOM 1476 C LEU A 131 6.341 -12.808 3.305 1.00 0.00 C ATOM 1477 O LEU A 131 7.094 -13.377 4.096 1.00 0.00 O ATOM 1478 CB LEU A 131 4.085 -11.727 3.311 1.00 0.00 C ATOM 1479 CG LEU A 131 3.061 -10.998 4.181 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.697 -10.993 3.508 1.00 0.00 C ATOM 1481 CD2 LEU A 131 2.975 -11.641 5.557 1.00 0.00 C ATOM 0 H LEU A 131 5.438 -9.758 2.687 1.00 0.00 H new ATOM 0 HA LEU A 131 5.604 -11.485 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.981 -11.370 2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.838 -12.789 3.306 1.00 0.00 H new ATOM 0 HG LEU A 131 3.388 -9.965 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.981 -10.470 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.768 -10.486 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.364 -12.019 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 131 2.241 -11.109 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.673 -12.683 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 131 3.950 -11.593 6.043 1.00 0.00 H new ATOM 1493 N TYR A 132 6.168 -13.214 2.052 1.00 0.00 N ATOM 1494 CA TYR A 132 6.867 -14.380 1.523 1.00 0.00 C ATOM 1495 C TYR A 132 8.162 -13.970 0.828 1.00 0.00 C ATOM 1496 O TYR A 132 8.362 -14.250 -0.354 1.00 0.00 O ATOM 1497 CB TYR A 132 5.968 -15.139 0.546 1.00 0.00 C ATOM 1498 CG TYR A 132 4.665 -15.603 1.156 1.00 0.00 C ATOM 1499 CD1 TYR A 132 4.590 -16.805 1.851 1.00 0.00 C ATOM 1500 CD2 TYR A 132 3.509 -14.842 1.038 1.00 0.00 C ATOM 1501 CE1 TYR A 132 3.402 -17.233 2.410 1.00 0.00 C ATOM 1502 CE2 TYR A 132 2.317 -15.262 1.596 1.00 0.00 C ATOM 1503 CZ TYR A 132 2.268 -16.458 2.280 1.00 0.00 C ATOM 1504 OH TYR A 132 1.082 -16.881 2.835 1.00 0.00 O ATOM 0 H TYR A 132 5.550 -12.753 1.384 1.00 0.00 H new ATOM 0 HA TYR A 132 7.116 -15.033 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 132 5.751 -14.497 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 132 6.510 -16.005 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 132 5.476 -17.414 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 132 3.543 -13.906 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.361 -18.170 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.428 -14.657 1.497 1.00 0.00 H new ATOM 0 HH TYR A 132 0.443 -17.090 2.122 1.00 0.00 H new