USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.811 K(o=-0.81,f=-4.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00402 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.21 K(o=-2.2,f=-9.5!) USER MOD Single : A 23 TYR OH : rot -64:sc= -0.0854 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.029) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.00292 K(o=0.0029,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.52 (180deg=1.17) USER MOD Single : A 49 SER OG : rot 170:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.8!) USER MOD Single : A 64 SER OG : rot -90:sc= 0.939 USER MOD Single : A 66 SER OG : rot -58:sc= 0.158 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.07 X(o=-3.1,f=-2.8) USER MOD Single : A 77 TYR OH : rot 56:sc= 0.359 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.8) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 120:sc= 2.15 USER MOD Single : A 91 SER OG : rot 53:sc= 0.481 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0495) USER MOD Single : A 98 THR OG1 : rot 105:sc= 0.925 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.011) USER MOD Single : A 102 TYR OH : rot 0:sc= 0.858 USER MOD Single : A 104 THR OG1 : rot 36:sc= 0.935 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0821 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.572 -5.357 12.372 1.00 0.00 N ATOM 2 CA ALA A 1 13.098 -4.148 12.983 1.00 0.00 C ATOM 3 C ALA A 1 12.068 -3.025 12.850 1.00 0.00 C ATOM 4 O ALA A 1 11.632 -2.456 13.850 1.00 0.00 O ATOM 5 CB ALA A 1 14.438 -3.790 12.337 1.00 0.00 C ATOM 0 H1 ALA A 1 13.270 -6.123 12.461 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.692 -5.634 12.852 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.377 -5.181 11.366 1.00 0.00 H new ATOM 0 HA ALA A 1 13.280 -4.304 14.046 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.832 -2.883 12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.143 -4.608 12.485 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.294 -3.624 11.269 1.00 0.00 H new ATOM 11 N VAL A 2 11.709 -2.738 11.607 1.00 0.00 N ATOM 12 CA VAL A 2 10.724 -1.707 11.331 1.00 0.00 C ATOM 13 C VAL A 2 9.335 -2.343 11.251 1.00 0.00 C ATOM 14 O VAL A 2 9.211 -3.565 11.180 1.00 0.00 O ATOM 15 CB VAL A 2 11.107 -0.943 10.062 1.00 0.00 C ATOM 16 CG1 VAL A 2 12.575 -0.514 10.102 1.00 0.00 C ATOM 17 CG2 VAL A 2 10.813 -1.775 8.812 1.00 0.00 C ATOM 0 H VAL A 2 12.083 -3.202 10.780 1.00 0.00 H new ATOM 0 HA VAL A 2 10.700 -0.976 12.139 1.00 0.00 H new ATOM 0 HB VAL A 2 10.496 -0.042 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.821 0.027 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.742 0.133 10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.210 -1.396 10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.094 -1.209 7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.386 -2.701 8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.749 -2.008 8.772 1.00 0.00 H new ATOM 27 N ILE A 3 8.325 -1.485 11.263 1.00 0.00 N ATOM 28 CA ILE A 3 6.953 -1.943 11.126 1.00 0.00 C ATOM 29 C ILE A 3 6.575 -1.972 9.643 1.00 0.00 C ATOM 30 O ILE A 3 6.936 -1.069 8.890 1.00 0.00 O ATOM 31 CB ILE A 3 6.015 -1.091 11.983 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.176 -1.422 13.468 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.564 -1.235 11.518 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.355 -0.466 14.335 1.00 0.00 C ATOM 0 H ILE A 3 8.430 -0.476 11.365 1.00 0.00 H new ATOM 0 HA ILE A 3 6.852 -2.961 11.501 1.00 0.00 H new ATOM 0 HB ILE A 3 6.292 -0.045 11.854 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.859 -2.449 13.652 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.228 -1.359 13.746 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.918 -0.619 12.144 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.480 -0.910 10.481 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.258 -2.278 11.597 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.487 -0.723 15.386 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.691 0.557 14.167 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.301 -0.550 14.071 1.00 0.00 H new ATOM 46 N ASN A 4 5.854 -3.018 9.269 1.00 0.00 N ATOM 47 CA ASN A 4 5.461 -3.199 7.882 1.00 0.00 C ATOM 48 C ASN A 4 4.260 -4.144 7.815 1.00 0.00 C ATOM 49 O ASN A 4 4.179 -4.990 6.926 1.00 0.00 O ATOM 50 CB ASN A 4 6.596 -3.818 7.064 1.00 0.00 C ATOM 51 CG ASN A 4 6.897 -5.243 7.535 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.478 -5.675 8.596 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.644 -5.945 6.688 1.00 0.00 N ATOM 0 H ASN A 4 5.531 -3.749 9.903 1.00 0.00 H new ATOM 0 HA ASN A 4 5.213 -2.220 7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.324 -3.830 6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.492 -3.204 7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.900 -6.907 6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.961 -5.521 5.816 1.00 0.00 H new ATOM 60 N THR A 5 3.356 -3.969 8.768 1.00 0.00 N ATOM 61 CA THR A 5 2.239 -4.887 8.918 1.00 0.00 C ATOM 62 C THR A 5 0.918 -4.168 8.641 1.00 0.00 C ATOM 63 O THR A 5 0.891 -2.948 8.487 1.00 0.00 O ATOM 64 CB THR A 5 2.316 -5.500 10.318 1.00 0.00 C ATOM 65 OG1 THR A 5 2.394 -4.373 11.187 1.00 0.00 O ATOM 66 CG2 THR A 5 3.629 -6.248 10.559 1.00 0.00 C ATOM 0 H THR A 5 3.374 -3.205 9.444 1.00 0.00 H new ATOM 0 HA THR A 5 2.291 -5.697 8.190 1.00 0.00 H new ATOM 0 HB THR A 5 1.478 -6.182 10.461 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.445 -4.680 12.116 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.632 -6.663 11.567 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.726 -7.056 9.834 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.466 -5.559 10.448 1.00 0.00 H new ATOM 74 N PHE A 6 -0.147 -4.955 8.586 1.00 0.00 N ATOM 75 CA PHE A 6 -1.464 -4.413 8.300 1.00 0.00 C ATOM 76 C PHE A 6 -1.912 -3.449 9.401 1.00 0.00 C ATOM 77 O PHE A 6 -2.317 -2.323 9.118 1.00 0.00 O ATOM 78 CB PHE A 6 -2.433 -5.595 8.249 1.00 0.00 C ATOM 79 CG PHE A 6 -2.205 -6.536 7.064 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.527 -6.134 5.805 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.681 -7.774 7.269 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.316 -7.007 4.705 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.470 -8.647 6.169 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.791 -8.245 4.911 1.00 0.00 C ATOM 0 H PHE A 6 -0.124 -5.964 8.735 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.443 -3.863 7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.344 -6.164 9.174 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.453 -5.214 8.206 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.943 -5.151 5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.425 -8.093 8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.572 -6.688 3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.054 -9.630 6.332 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.629 -8.909 4.074 1.00 0.00 H new ATOM 94 N ASP A 7 -1.823 -3.927 10.633 1.00 0.00 N ATOM 95 CA ASP A 7 -2.318 -3.166 11.768 1.00 0.00 C ATOM 96 C ASP A 7 -1.382 -1.986 12.033 1.00 0.00 C ATOM 97 O ASP A 7 -1.824 -0.925 12.472 1.00 0.00 O ATOM 98 CB ASP A 7 -2.361 -4.028 13.032 1.00 0.00 C ATOM 99 CG ASP A 7 -3.176 -5.317 12.908 1.00 0.00 C ATOM 100 OD1 ASP A 7 -2.669 -6.247 12.244 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.287 -5.343 13.480 1.00 0.00 O ATOM 0 H ASP A 7 -1.416 -4.831 10.871 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.325 -2.823 11.530 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.340 -4.287 13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.773 -3.432 13.846 1.00 0.00 H new ATOM 106 N GLY A 8 -0.106 -2.209 11.755 1.00 0.00 N ATOM 107 CA GLY A 8 0.916 -1.233 12.092 1.00 0.00 C ATOM 108 C GLY A 8 0.874 -0.042 11.133 1.00 0.00 C ATOM 109 O GLY A 8 0.847 1.109 11.566 1.00 0.00 O ATOM 0 H GLY A 8 0.244 -3.052 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.769 -0.886 13.115 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.899 -1.702 12.052 1.00 0.00 H new ATOM 113 N VAL A 9 0.869 -0.359 9.846 1.00 0.00 N ATOM 114 CA VAL A 9 0.738 0.664 8.823 1.00 0.00 C ATOM 115 C VAL A 9 -0.582 1.411 9.021 1.00 0.00 C ATOM 116 O VAL A 9 -0.634 2.633 8.888 1.00 0.00 O ATOM 117 CB VAL A 9 0.868 0.036 7.435 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.507 1.043 6.341 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.272 -0.530 7.217 1.00 0.00 C ATOM 0 H VAL A 9 0.954 -1.311 9.489 1.00 0.00 H new ATOM 0 HA VAL A 9 1.541 1.396 8.910 1.00 0.00 H new ATOM 0 HB VAL A 9 0.161 -0.791 7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.608 0.571 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.522 1.376 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.177 1.901 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.336 -0.970 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.005 0.271 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.476 -1.295 7.966 1.00 0.00 H new ATOM 129 N ALA A 10 -1.617 0.646 9.335 1.00 0.00 N ATOM 130 CA ALA A 10 -2.946 1.211 9.491 1.00 0.00 C ATOM 131 C ALA A 10 -2.901 2.331 10.533 1.00 0.00 C ATOM 132 O ALA A 10 -3.557 3.359 10.374 1.00 0.00 O ATOM 133 CB ALA A 10 -3.932 0.103 9.868 1.00 0.00 C ATOM 0 H ALA A 10 -1.562 -0.361 9.486 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.289 1.647 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.929 0.528 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.949 -0.652 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.621 -0.357 10.806 1.00 0.00 H new ATOM 139 N ASP A 11 -2.120 2.093 11.577 1.00 0.00 N ATOM 140 CA ASP A 11 -2.012 3.050 12.664 1.00 0.00 C ATOM 141 C ASP A 11 -1.393 4.346 12.138 1.00 0.00 C ATOM 142 O ASP A 11 -1.923 5.431 12.372 1.00 0.00 O ATOM 143 CB ASP A 11 -1.112 2.516 13.781 1.00 0.00 C ATOM 144 CG ASP A 11 -1.841 2.124 15.068 1.00 0.00 C ATOM 145 OD1 ASP A 11 -2.630 1.157 15.001 1.00 0.00 O ATOM 146 OD2 ASP A 11 -1.594 2.802 16.089 1.00 0.00 O ATOM 0 H ASP A 11 -1.556 1.251 11.693 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.013 3.225 13.059 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.573 1.646 13.407 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.367 3.274 14.020 1.00 0.00 H new ATOM 151 N TYR A 12 -0.280 4.191 11.436 1.00 0.00 N ATOM 152 CA TYR A 12 0.530 5.335 11.054 1.00 0.00 C ATOM 153 C TYR A 12 -0.265 6.300 10.172 1.00 0.00 C ATOM 154 O TYR A 12 -0.065 7.512 10.234 1.00 0.00 O ATOM 155 CB TYR A 12 1.701 4.772 10.247 1.00 0.00 C ATOM 156 CG TYR A 12 2.907 4.368 11.098 1.00 0.00 C ATOM 157 CD1 TYR A 12 3.483 5.283 11.955 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.417 3.089 11.008 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.618 4.903 12.757 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.552 2.709 11.809 1.00 0.00 C ATOM 161 CZ TYR A 12 5.096 3.635 12.644 1.00 0.00 C ATOM 162 OH TYR A 12 6.168 3.276 13.401 1.00 0.00 O ATOM 0 H TYR A 12 0.080 3.290 11.122 1.00 0.00 H new ATOM 0 HA TYR A 12 0.857 5.885 11.936 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.358 3.903 9.686 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.018 5.517 9.517 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.083 6.284 12.025 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.965 2.373 10.337 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.078 5.609 13.432 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.962 1.712 11.748 1.00 0.00 H new ATOM 0 HH TYR A 12 6.164 3.787 14.237 1.00 0.00 H new ATOM 172 N LEU A 13 -1.151 5.725 9.371 1.00 0.00 N ATOM 173 CA LEU A 13 -2.006 6.522 8.507 1.00 0.00 C ATOM 174 C LEU A 13 -2.804 7.511 9.359 1.00 0.00 C ATOM 175 O LEU A 13 -2.737 8.720 9.138 1.00 0.00 O ATOM 176 CB LEU A 13 -2.879 5.617 7.636 1.00 0.00 C ATOM 177 CG LEU A 13 -2.215 5.053 6.378 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.600 3.588 6.165 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.535 5.914 5.155 1.00 0.00 C ATOM 0 H LEU A 13 -1.295 4.718 9.302 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.405 7.110 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.224 4.782 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.763 6.179 7.335 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.135 5.085 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.115 3.212 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.278 2.999 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.681 3.508 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.051 5.491 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.614 5.938 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.169 6.928 5.318 1.00 0.00 H new ATOM 191 N ILE A 14 -3.539 6.962 10.314 1.00 0.00 N ATOM 192 CA ILE A 14 -4.369 7.779 11.183 1.00 0.00 C ATOM 193 C ILE A 14 -3.482 8.759 11.954 1.00 0.00 C ATOM 194 O ILE A 14 -3.885 9.891 12.216 1.00 0.00 O ATOM 195 CB ILE A 14 -5.235 6.895 12.083 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.531 6.494 11.374 1.00 0.00 C ATOM 197 CG2 ILE A 14 -5.504 7.577 13.426 1.00 0.00 C ATOM 198 CD1 ILE A 14 -6.244 5.568 10.190 1.00 0.00 C ATOM 0 H ILE A 14 -3.577 5.961 10.506 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.066 8.375 10.594 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.685 5.978 12.292 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.196 5.994 12.079 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.050 7.387 11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.122 6.928 14.047 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.558 7.770 13.932 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.024 8.520 13.258 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.181 5.298 9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.599 6.080 9.476 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.747 4.666 10.546 1.00 0.00 H new ATOM 210 N ARG A 15 -2.292 8.288 12.295 1.00 0.00 N ATOM 211 CA ARG A 15 -1.412 9.041 13.173 1.00 0.00 C ATOM 212 C ARG A 15 -0.964 10.336 12.492 1.00 0.00 C ATOM 213 O ARG A 15 -1.324 11.427 12.929 1.00 0.00 O ATOM 214 CB ARG A 15 -0.179 8.219 13.553 1.00 0.00 C ATOM 215 CG ARG A 15 0.282 8.548 14.975 1.00 0.00 C ATOM 216 CD ARG A 15 1.397 7.601 15.422 1.00 0.00 C ATOM 217 NE ARG A 15 0.839 6.260 15.705 1.00 0.00 N ATOM 218 CZ ARG A 15 1.581 5.186 16.009 1.00 0.00 C ATOM 219 NH1 ARG A 15 2.917 5.281 16.035 1.00 0.00 N ATOM 220 NH2 ARG A 15 0.987 4.018 16.285 1.00 0.00 N ATOM 0 H ARG A 15 -1.916 7.394 11.979 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.970 9.278 14.079 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.409 7.156 13.478 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.628 8.421 12.849 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.636 9.578 15.017 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.561 8.472 15.661 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.159 7.531 14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.886 7.996 16.313 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.174 6.146 15.666 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.369 6.170 15.824 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.482 4.464 16.266 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.030 3.946 16.264 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.552 3.201 16.516 1.00 0.00 H new ATOM 234 N TYR A 16 -0.185 10.171 11.433 1.00 0.00 N ATOM 235 CA TYR A 16 0.515 11.296 10.837 1.00 0.00 C ATOM 236 C TYR A 16 -0.177 11.754 9.551 1.00 0.00 C ATOM 237 O TYR A 16 0.258 12.712 8.915 1.00 0.00 O ATOM 238 CB TYR A 16 1.916 10.786 10.494 1.00 0.00 C ATOM 239 CG TYR A 16 2.770 10.443 11.716 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.953 11.377 12.715 1.00 0.00 C ATOM 241 CD2 TYR A 16 3.356 9.197 11.820 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.756 11.053 13.865 1.00 0.00 C ATOM 243 CE2 TYR A 16 4.159 8.874 12.971 1.00 0.00 C ATOM 244 CZ TYR A 16 4.320 9.818 13.936 1.00 0.00 C ATOM 245 OH TYR A 16 5.079 9.512 15.023 1.00 0.00 O ATOM 0 H TYR A 16 -0.023 9.275 10.973 1.00 0.00 H new ATOM 0 HA TYR A 16 0.534 12.143 11.523 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.825 9.899 9.867 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.432 11.543 9.903 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.494 12.351 12.634 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.212 8.465 11.039 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.907 11.775 14.654 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.623 7.903 13.065 1.00 0.00 H new ATOM 0 HH TYR A 16 5.417 8.596 14.939 1.00 0.00 H new ATOM 255 N LYS A 17 -1.243 11.047 9.207 1.00 0.00 N ATOM 256 CA LYS A 17 -2.019 11.388 8.026 1.00 0.00 C ATOM 257 C LYS A 17 -1.185 11.105 6.775 1.00 0.00 C ATOM 258 O LYS A 17 -1.293 11.819 5.779 1.00 0.00 O ATOM 259 CB LYS A 17 -2.524 12.830 8.116 1.00 0.00 C ATOM 260 CG LYS A 17 -3.772 13.028 7.254 1.00 0.00 C ATOM 261 CD LYS A 17 -4.372 14.418 7.469 1.00 0.00 C ATOM 262 CE LYS A 17 -3.542 15.490 6.760 1.00 0.00 C ATOM 263 NZ LYS A 17 -4.202 16.810 6.865 1.00 0.00 N ATOM 0 H LYS A 17 -1.588 10.239 9.725 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.911 10.765 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.751 13.075 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.741 13.515 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.516 12.897 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.512 12.267 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.395 14.438 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.419 14.636 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.546 15.538 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.413 15.224 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.626 17.526 6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.142 16.764 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.303 17.069 7.867 1.00 0.00 H new ATOM 277 N ARG A 18 -0.374 10.062 6.867 1.00 0.00 N ATOM 278 CA ARG A 18 0.352 9.574 5.706 1.00 0.00 C ATOM 279 C ARG A 18 0.925 8.182 5.985 1.00 0.00 C ATOM 280 O ARG A 18 0.885 7.707 7.119 1.00 0.00 O ATOM 281 CB ARG A 18 1.493 10.522 5.332 1.00 0.00 C ATOM 282 CG ARG A 18 2.273 10.958 6.573 1.00 0.00 C ATOM 283 CD ARG A 18 3.618 11.576 6.186 1.00 0.00 C ATOM 284 NE ARG A 18 3.401 12.853 5.470 1.00 0.00 N ATOM 285 CZ ARG A 18 4.378 13.567 4.894 1.00 0.00 C ATOM 286 NH1 ARG A 18 5.653 13.169 5.004 1.00 0.00 N ATOM 287 NH2 ARG A 18 4.081 14.679 4.208 1.00 0.00 N ATOM 0 H ARG A 18 -0.203 9.541 7.727 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.350 9.522 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.165 10.028 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.091 11.399 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.686 11.681 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.437 10.099 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.219 11.748 7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.176 10.886 5.554 1.00 0.00 H new ATOM 0 HE ARG A 18 2.448 13.212 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.880 12.323 5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.397 13.712 4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.111 14.983 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.825 15.222 3.770 1.00 0.00 H new ATOM 301 N LEU A 19 1.444 7.569 4.931 1.00 0.00 N ATOM 302 CA LEU A 19 2.160 6.313 5.074 1.00 0.00 C ATOM 303 C LEU A 19 3.388 6.529 5.962 1.00 0.00 C ATOM 304 O LEU A 19 3.806 7.665 6.183 1.00 0.00 O ATOM 305 CB LEU A 19 2.490 5.725 3.701 1.00 0.00 C ATOM 306 CG LEU A 19 1.320 5.100 2.940 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.740 4.691 1.527 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.721 3.929 3.722 1.00 0.00 C ATOM 0 H LEU A 19 1.383 7.919 3.975 1.00 0.00 H new ATOM 0 HA LEU A 19 1.533 5.572 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.919 6.514 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.261 4.966 3.829 1.00 0.00 H new ATOM 0 HG LEU A 19 0.538 5.853 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.889 4.249 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.082 5.570 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.548 3.962 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.109 3.502 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.484 3.167 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.360 4.283 4.688 1.00 0.00 H new ATOM 320 N PRO A 20 3.945 5.393 6.459 1.00 0.00 N ATOM 321 CA PRO A 20 5.257 5.413 7.082 1.00 0.00 C ATOM 322 C PRO A 20 6.362 5.537 6.031 1.00 0.00 C ATOM 323 O PRO A 20 6.099 5.434 4.834 1.00 0.00 O ATOM 324 CB PRO A 20 5.335 4.120 7.877 1.00 0.00 C ATOM 325 CG PRO A 20 4.262 3.211 7.302 1.00 0.00 C ATOM 326 CD PRO A 20 3.343 4.063 6.440 1.00 0.00 C ATOM 0 HA PRO A 20 5.400 6.275 7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.321 3.665 7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.164 4.303 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.713 2.416 6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.699 2.731 8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.278 3.672 5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.329 4.081 6.840 1.00 0.00 H new ATOM 334 N ASP A 21 7.575 5.755 6.516 1.00 0.00 N ATOM 335 CA ASP A 21 8.676 6.122 5.642 1.00 0.00 C ATOM 336 C ASP A 21 9.317 4.852 5.076 1.00 0.00 C ATOM 337 O ASP A 21 10.303 4.923 4.345 1.00 0.00 O ATOM 338 CB ASP A 21 9.753 6.894 6.406 1.00 0.00 C ATOM 339 CG ASP A 21 10.923 7.388 5.553 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.724 8.402 4.849 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.990 6.741 5.624 1.00 0.00 O ATOM 0 H ASP A 21 7.820 5.685 7.504 1.00 0.00 H new ATOM 0 HA ASP A 21 8.278 6.751 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.288 7.753 6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.144 6.255 7.197 1.00 0.00 H new ATOM 346 N ASN A 22 8.729 3.721 5.436 1.00 0.00 N ATOM 347 CA ASN A 22 9.250 2.436 5.001 1.00 0.00 C ATOM 348 C ASN A 22 8.784 2.159 3.570 1.00 0.00 C ATOM 349 O ASN A 22 9.171 1.157 2.971 1.00 0.00 O ATOM 350 CB ASN A 22 8.737 1.303 5.893 1.00 0.00 C ATOM 351 CG ASN A 22 7.209 1.224 5.855 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.532 2.068 5.291 1.00 0.00 O ATOM 353 ND2 ASN A 22 6.706 0.166 6.484 1.00 0.00 N ATOM 0 H ASN A 22 7.897 3.667 6.024 1.00 0.00 H new ATOM 0 HA ASN A 22 10.338 2.476 5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.162 0.355 5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.071 1.463 6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.697 0.023 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.330 -0.503 6.936 1.00 0.00 H new ATOM 360 N TYR A 23 7.961 3.066 3.065 1.00 0.00 N ATOM 361 CA TYR A 23 7.462 2.948 1.705 1.00 0.00 C ATOM 362 C TYR A 23 7.864 4.162 0.866 1.00 0.00 C ATOM 363 O TYR A 23 7.503 5.293 1.191 1.00 0.00 O ATOM 364 CB TYR A 23 5.937 2.903 1.818 1.00 0.00 C ATOM 365 CG TYR A 23 5.407 1.714 2.622 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.056 0.497 2.563 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.280 1.858 3.405 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.557 -0.622 3.320 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.781 0.738 4.161 1.00 0.00 C ATOM 370 CZ TYR A 23 4.444 -0.446 4.081 1.00 0.00 C ATOM 371 OH TYR A 23 3.973 -1.503 4.796 1.00 0.00 O ATOM 0 H TYR A 23 7.627 3.885 3.573 1.00 0.00 H new ATOM 0 HA TYR A 23 7.872 2.061 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.590 3.826 2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.510 2.870 0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.938 0.384 1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.772 2.810 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.056 -1.579 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.900 0.837 4.778 1.00 0.00 H new ATOM 0 HH TYR A 23 3.678 -2.208 4.182 1.00 0.00 H new ATOM 381 N ILE A 24 8.606 3.888 -0.197 1.00 0.00 N ATOM 382 CA ILE A 24 8.769 4.859 -1.266 1.00 0.00 C ATOM 383 C ILE A 24 7.818 4.513 -2.413 1.00 0.00 C ATOM 384 O ILE A 24 7.257 3.419 -2.450 1.00 0.00 O ATOM 385 CB ILE A 24 10.237 4.946 -1.689 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.761 3.580 -2.136 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.094 5.554 -0.577 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.904 3.733 -3.141 1.00 0.00 C ATOM 0 H ILE A 24 9.101 3.008 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 24 8.500 5.857 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 24 10.305 5.613 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.107 3.018 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.951 3.005 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.133 5.604 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.736 6.558 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.025 4.933 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.258 2.747 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.548 4.274 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.722 4.287 -2.680 1.00 0.00 H new ATOM 400 N THR A 25 7.665 5.466 -3.320 1.00 0.00 N ATOM 401 CA THR A 25 6.764 5.290 -4.446 1.00 0.00 C ATOM 402 C THR A 25 7.476 4.565 -5.590 1.00 0.00 C ATOM 403 O THR A 25 8.696 4.411 -5.568 1.00 0.00 O ATOM 404 CB THR A 25 6.225 6.666 -4.841 1.00 0.00 C ATOM 405 OG1 THR A 25 7.322 7.547 -4.612 1.00 0.00 O ATOM 406 CG2 THR A 25 5.140 7.166 -3.886 1.00 0.00 C ATOM 0 H THR A 25 8.150 6.363 -3.298 1.00 0.00 H new ATOM 0 HA THR A 25 5.917 4.658 -4.179 1.00 0.00 H new ATOM 0 HB THR A 25 5.825 6.622 -5.854 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.060 8.462 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.792 8.146 -4.212 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.305 6.466 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.549 7.243 -2.879 1.00 0.00 H new ATOM 414 N LYS A 26 6.684 4.140 -6.563 1.00 0.00 N ATOM 415 CA LYS A 26 7.226 3.451 -7.722 1.00 0.00 C ATOM 416 C LYS A 26 8.290 4.331 -8.381 1.00 0.00 C ATOM 417 O LYS A 26 9.339 3.839 -8.795 1.00 0.00 O ATOM 418 CB LYS A 26 6.101 3.033 -8.671 1.00 0.00 C ATOM 419 CG LYS A 26 5.312 1.853 -8.099 1.00 0.00 C ATOM 420 CD LYS A 26 4.054 1.582 -8.926 1.00 0.00 C ATOM 421 CE LYS A 26 4.414 1.047 -10.313 1.00 0.00 C ATOM 422 NZ LYS A 26 4.198 2.088 -11.343 1.00 0.00 N ATOM 0 H LYS A 26 5.671 4.259 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 26 7.718 2.526 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.431 3.876 -8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.520 2.760 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.941 0.963 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.034 2.063 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.422 0.861 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.475 2.500 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.455 0.725 -10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.807 0.171 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.447 1.708 -12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.199 2.376 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.796 2.913 -11.134 1.00 0.00 H new ATOM 436 N SER A 27 7.984 5.618 -8.458 1.00 0.00 N ATOM 437 CA SER A 27 8.802 6.537 -9.232 1.00 0.00 C ATOM 438 C SER A 27 10.228 6.559 -8.679 1.00 0.00 C ATOM 439 O SER A 27 11.192 6.620 -9.442 1.00 0.00 O ATOM 440 CB SER A 27 8.206 7.946 -9.221 1.00 0.00 C ATOM 441 OG SER A 27 6.939 7.996 -9.872 1.00 0.00 O ATOM 0 H SER A 27 7.181 6.046 -7.997 1.00 0.00 H new ATOM 0 HA SER A 27 8.825 6.190 -10.265 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.098 8.286 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.894 8.634 -9.713 1.00 0.00 H new ATOM 0 HG SER A 27 6.592 8.912 -9.842 1.00 0.00 H new ATOM 447 N GLN A 28 10.318 6.508 -7.359 1.00 0.00 N ATOM 448 CA GLN A 28 11.606 6.601 -6.692 1.00 0.00 C ATOM 449 C GLN A 28 12.418 5.325 -6.925 1.00 0.00 C ATOM 450 O GLN A 28 13.604 5.389 -7.242 1.00 0.00 O ATOM 451 CB GLN A 28 11.431 6.875 -5.197 1.00 0.00 C ATOM 452 CG GLN A 28 10.838 8.265 -4.960 1.00 0.00 C ATOM 453 CD GLN A 28 11.899 9.352 -5.139 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.731 9.592 -4.280 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.824 9.995 -6.301 1.00 0.00 N ATOM 0 H GLN A 28 9.520 6.403 -6.732 1.00 0.00 H new ATOM 0 HA GLN A 28 12.155 7.440 -7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.780 6.118 -4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.395 6.796 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.016 8.437 -5.655 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.422 8.320 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.102 9.744 -6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.488 10.739 -6.516 1.00 0.00 H new ATOM 464 N ALA A 29 11.745 4.196 -6.759 1.00 0.00 N ATOM 465 CA ALA A 29 12.386 2.907 -6.955 1.00 0.00 C ATOM 466 C ALA A 29 12.876 2.801 -8.401 1.00 0.00 C ATOM 467 O ALA A 29 13.971 2.300 -8.654 1.00 0.00 O ATOM 468 CB ALA A 29 11.409 1.789 -6.588 1.00 0.00 C ATOM 0 H ALA A 29 10.762 4.147 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 29 13.254 2.808 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.890 0.822 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.114 1.892 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.526 1.855 -7.223 1.00 0.00 H new ATOM 474 N SER A 30 12.042 3.281 -9.311 1.00 0.00 N ATOM 475 CA SER A 30 12.307 3.117 -10.730 1.00 0.00 C ATOM 476 C SER A 30 13.511 3.968 -11.139 1.00 0.00 C ATOM 477 O SER A 30 14.344 3.531 -11.932 1.00 0.00 O ATOM 478 CB SER A 30 11.083 3.493 -11.567 1.00 0.00 C ATOM 479 OG SER A 30 10.303 2.353 -11.916 1.00 0.00 O ATOM 0 H SER A 30 11.182 3.784 -9.093 1.00 0.00 H new ATOM 0 HA SER A 30 12.532 2.067 -10.916 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.466 4.198 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.407 4.002 -12.475 1.00 0.00 H new ATOM 0 HG SER A 30 9.530 2.636 -12.448 1.00 0.00 H new ATOM 485 N ALA A 31 13.566 5.167 -10.578 1.00 0.00 N ATOM 486 CA ALA A 31 14.684 6.060 -10.828 1.00 0.00 C ATOM 487 C ALA A 31 15.987 5.362 -10.433 1.00 0.00 C ATOM 488 O ALA A 31 17.004 5.508 -11.109 1.00 0.00 O ATOM 489 CB ALA A 31 14.471 7.371 -10.068 1.00 0.00 C ATOM 0 H ALA A 31 12.854 5.541 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 31 14.749 6.305 -11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.310 8.041 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.548 7.842 -10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.403 7.165 -9.000 1.00 0.00 H new ATOM 495 N LEU A 32 15.914 4.618 -9.339 1.00 0.00 N ATOM 496 CA LEU A 32 17.089 3.946 -8.811 1.00 0.00 C ATOM 497 C LEU A 32 17.414 2.733 -9.686 1.00 0.00 C ATOM 498 O LEU A 32 18.546 2.253 -9.692 1.00 0.00 O ATOM 499 CB LEU A 32 16.891 3.602 -7.333 1.00 0.00 C ATOM 500 CG LEU A 32 16.784 4.792 -6.377 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.175 4.367 -5.039 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.142 5.475 -6.197 1.00 0.00 C ATOM 0 H LEU A 32 15.059 4.466 -8.804 1.00 0.00 H new ATOM 0 HA LEU A 32 17.954 4.608 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.986 3.002 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.723 2.976 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 32 16.110 5.526 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.110 5.231 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.177 3.962 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.804 3.605 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.038 6.317 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.857 4.761 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.500 5.834 -7.162 1.00 0.00 H new ATOM 514 N GLY A 33 16.400 2.274 -10.405 1.00 0.00 N ATOM 515 CA GLY A 33 16.611 1.293 -11.456 1.00 0.00 C ATOM 516 C GLY A 33 15.932 -0.034 -11.112 1.00 0.00 C ATOM 517 O GLY A 33 16.241 -1.066 -11.706 1.00 0.00 O ATOM 0 H GLY A 33 15.430 2.563 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.217 1.674 -12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.680 1.132 -11.599 1.00 0.00 H new ATOM 521 N TRP A 34 15.019 0.035 -10.154 1.00 0.00 N ATOM 522 CA TRP A 34 14.129 -1.081 -9.886 1.00 0.00 C ATOM 523 C TRP A 34 13.279 -1.318 -11.135 1.00 0.00 C ATOM 524 O TRP A 34 12.735 -0.376 -11.709 1.00 0.00 O ATOM 525 CB TRP A 34 13.291 -0.825 -8.632 1.00 0.00 C ATOM 526 CG TRP A 34 12.081 -1.751 -8.492 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.073 -3.065 -8.230 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.693 -1.377 -8.619 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.787 -3.563 -8.179 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.921 -2.504 -8.423 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.109 -0.127 -8.891 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.522 -2.494 -8.478 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.710 -0.134 -8.942 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.919 -1.260 -8.747 1.00 0.00 C ATOM 0 H TRP A 34 14.877 0.847 -9.554 1.00 0.00 H new ATOM 0 HA TRP A 34 14.698 -1.986 -9.675 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.926 -0.939 -7.754 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.945 0.209 -8.643 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.962 -3.660 -8.078 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.521 -4.531 -7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.693 0.768 -9.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.940 -3.390 -8.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.210 0.801 -9.147 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.843 -1.183 -8.803 1.00 0.00 H new ATOM 545 N VAL A 35 13.190 -2.583 -11.520 1.00 0.00 N ATOM 546 CA VAL A 35 12.673 -2.931 -12.833 1.00 0.00 C ATOM 547 C VAL A 35 11.253 -3.481 -12.688 1.00 0.00 C ATOM 548 O VAL A 35 10.404 -3.250 -13.548 1.00 0.00 O ATOM 549 CB VAL A 35 13.624 -3.908 -13.528 1.00 0.00 C ATOM 550 CG1 VAL A 35 13.249 -4.085 -15.000 1.00 0.00 C ATOM 551 CG2 VAL A 35 15.078 -3.453 -13.383 1.00 0.00 C ATOM 0 H VAL A 35 13.467 -3.379 -10.946 1.00 0.00 H new ATOM 0 HA VAL A 35 12.616 -2.046 -13.467 1.00 0.00 H new ATOM 0 HB VAL A 35 13.525 -4.877 -13.039 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.941 -4.784 -15.470 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.234 -4.475 -15.072 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.305 -3.122 -15.508 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.734 -4.164 -13.885 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.198 -2.468 -13.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.340 -3.402 -12.326 1.00 0.00 H new ATOM 561 N ALA A 36 11.039 -4.198 -11.595 1.00 0.00 N ATOM 562 CA ALA A 36 9.731 -4.769 -11.319 1.00 0.00 C ATOM 563 C ALA A 36 9.563 -6.060 -12.123 1.00 0.00 C ATOM 564 O ALA A 36 9.317 -7.122 -11.554 1.00 0.00 O ATOM 565 CB ALA A 36 8.646 -3.738 -11.637 1.00 0.00 C ATOM 0 H ALA A 36 11.749 -4.397 -10.890 1.00 0.00 H new ATOM 0 HA ALA A 36 9.638 -5.024 -10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.665 -4.166 -11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.793 -2.852 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.706 -3.460 -12.689 1.00 0.00 H new ATOM 571 N SER A 37 9.704 -5.925 -13.433 1.00 0.00 N ATOM 572 CA SER A 37 9.579 -7.069 -14.321 1.00 0.00 C ATOM 573 C SER A 37 10.721 -8.054 -14.069 1.00 0.00 C ATOM 574 O SER A 37 10.489 -9.250 -13.902 1.00 0.00 O ATOM 575 CB SER A 37 9.569 -6.630 -15.787 1.00 0.00 C ATOM 576 OG SER A 37 8.535 -5.688 -16.055 1.00 0.00 O ATOM 0 H SER A 37 9.904 -5.041 -13.901 1.00 0.00 H new ATOM 0 HA SER A 37 8.630 -7.562 -14.112 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.534 -6.191 -16.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.438 -7.503 -16.426 1.00 0.00 H new ATOM 0 HG SER A 37 8.563 -5.431 -17.000 1.00 0.00 H new ATOM 582 N LYS A 38 11.932 -7.515 -14.049 1.00 0.00 N ATOM 583 CA LYS A 38 13.120 -8.347 -13.973 1.00 0.00 C ATOM 584 C LYS A 38 14.228 -7.581 -13.246 1.00 0.00 C ATOM 585 O LYS A 38 14.946 -6.791 -13.858 1.00 0.00 O ATOM 586 CB LYS A 38 13.523 -8.836 -15.366 1.00 0.00 C ATOM 587 CG LYS A 38 14.691 -9.821 -15.285 1.00 0.00 C ATOM 588 CD LYS A 38 15.057 -10.352 -16.672 1.00 0.00 C ATOM 589 CE LYS A 38 16.236 -11.324 -16.594 1.00 0.00 C ATOM 590 NZ LYS A 38 16.573 -11.841 -17.939 1.00 0.00 N ATOM 0 H LYS A 38 12.115 -6.512 -14.084 1.00 0.00 H new ATOM 0 HA LYS A 38 12.918 -9.246 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.671 -9.316 -15.847 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.803 -7.985 -15.987 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.556 -9.329 -14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.426 -10.652 -14.632 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.195 -10.854 -17.112 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.310 -9.520 -17.329 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.102 -10.820 -16.164 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.988 -12.153 -15.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.375 -12.499 -17.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.751 -12.339 -18.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.830 -11.048 -18.561 1.00 0.00 H new ATOM 604 N GLY A 39 14.332 -7.842 -11.951 1.00 0.00 N ATOM 605 CA GLY A 39 15.076 -6.960 -11.068 1.00 0.00 C ATOM 606 C GLY A 39 14.269 -6.638 -9.809 1.00 0.00 C ATOM 607 O GLY A 39 13.459 -5.712 -9.806 1.00 0.00 O ATOM 0 H GLY A 39 13.914 -8.651 -11.492 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.019 -7.429 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.322 -6.037 -11.593 1.00 0.00 H new ATOM 611 N ASN A 40 14.519 -7.420 -8.769 1.00 0.00 N ATOM 612 CA ASN A 40 13.742 -7.309 -7.545 1.00 0.00 C ATOM 613 C ASN A 40 14.170 -6.051 -6.787 1.00 0.00 C ATOM 614 O ASN A 40 15.170 -5.424 -7.132 1.00 0.00 O ATOM 615 CB ASN A 40 13.977 -8.514 -6.633 1.00 0.00 C ATOM 616 CG ASN A 40 15.434 -8.574 -6.168 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.338 -8.906 -6.916 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.609 -8.235 -4.894 1.00 0.00 N ATOM 0 H ASN A 40 15.248 -8.133 -8.748 1.00 0.00 H new ATOM 0 HA ASN A 40 12.688 -7.263 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.317 -8.453 -5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.723 -9.431 -7.164 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.545 -8.243 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.808 -7.967 -4.323 1.00 0.00 H new ATOM 625 N LEU A 41 13.390 -5.719 -5.769 1.00 0.00 N ATOM 626 CA LEU A 41 13.464 -4.397 -5.169 1.00 0.00 C ATOM 627 C LEU A 41 14.749 -4.287 -4.346 1.00 0.00 C ATOM 628 O LEU A 41 15.599 -3.443 -4.626 1.00 0.00 O ATOM 629 CB LEU A 41 12.194 -4.100 -4.369 1.00 0.00 C ATOM 630 CG LEU A 41 11.958 -2.632 -4.007 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.768 -1.781 -5.264 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.785 -2.489 -3.035 1.00 0.00 C ATOM 0 H LEU A 41 12.703 -6.342 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 41 13.513 -3.630 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.337 -4.455 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.225 -4.681 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 41 12.846 -2.259 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.602 -0.742 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.660 -1.848 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.906 -2.146 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.639 -1.436 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.880 -2.885 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.000 -3.044 -2.122 1.00 0.00 H new ATOM 644 N ALA A 42 14.850 -5.151 -3.347 1.00 0.00 N ATOM 645 CA ALA A 42 15.847 -4.976 -2.304 1.00 0.00 C ATOM 646 C ALA A 42 17.238 -4.914 -2.939 1.00 0.00 C ATOM 647 O ALA A 42 18.165 -4.354 -2.357 1.00 0.00 O ATOM 648 CB ALA A 42 15.722 -6.108 -1.283 1.00 0.00 C ATOM 0 H ALA A 42 14.258 -5.974 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 42 15.685 -4.038 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.470 -5.977 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.726 -6.090 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.881 -7.065 -1.780 1.00 0.00 H new ATOM 654 N GLU A 43 17.338 -5.498 -4.124 1.00 0.00 N ATOM 655 CA GLU A 43 18.594 -5.496 -4.855 1.00 0.00 C ATOM 656 C GLU A 43 19.046 -4.060 -5.129 1.00 0.00 C ATOM 657 O GLU A 43 20.192 -3.704 -4.859 1.00 0.00 O ATOM 658 CB GLU A 43 18.472 -6.290 -6.157 1.00 0.00 C ATOM 659 CG GLU A 43 19.813 -6.349 -6.891 1.00 0.00 C ATOM 660 CD GLU A 43 20.848 -7.132 -6.080 1.00 0.00 C ATOM 661 OE1 GLU A 43 20.810 -8.379 -6.165 1.00 0.00 O ATOM 662 OE2 GLU A 43 21.653 -6.467 -5.394 1.00 0.00 O ATOM 0 H GLU A 43 16.570 -5.976 -4.596 1.00 0.00 H new ATOM 0 HA GLU A 43 19.351 -5.984 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.128 -7.301 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.722 -5.829 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.678 -6.819 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.177 -5.338 -7.072 1.00 0.00 H new ATOM 669 N VAL A 44 18.122 -3.274 -5.662 1.00 0.00 N ATOM 670 CA VAL A 44 18.465 -1.962 -6.185 1.00 0.00 C ATOM 671 C VAL A 44 18.245 -0.910 -5.096 1.00 0.00 C ATOM 672 O VAL A 44 19.074 -0.020 -4.911 1.00 0.00 O ATOM 673 CB VAL A 44 17.666 -1.681 -7.458 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.982 -0.288 -8.007 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.920 -2.757 -8.515 1.00 0.00 C ATOM 0 H VAL A 44 17.136 -3.521 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 44 19.518 -1.925 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 44 16.607 -1.708 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.401 -0.113 -8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.726 0.464 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.045 -0.221 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.339 -2.532 -9.410 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.980 -2.777 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.621 -3.729 -8.123 1.00 0.00 H new ATOM 685 N ALA A 45 17.124 -1.048 -4.403 1.00 0.00 N ATOM 686 CA ALA A 45 16.715 -0.044 -3.436 1.00 0.00 C ATOM 687 C ALA A 45 16.250 -0.737 -2.153 1.00 0.00 C ATOM 688 O ALA A 45 15.062 -1.006 -1.984 1.00 0.00 O ATOM 689 CB ALA A 45 15.627 0.841 -4.047 1.00 0.00 C ATOM 0 H ALA A 45 16.487 -1.839 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 45 17.554 0.602 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.320 1.594 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.016 1.333 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.768 0.227 -4.318 1.00 0.00 H new ATOM 695 N PRO A 46 17.237 -1.014 -1.260 1.00 0.00 N ATOM 696 CA PRO A 46 16.945 -1.695 -0.010 1.00 0.00 C ATOM 697 C PRO A 46 16.264 -0.751 0.983 1.00 0.00 C ATOM 698 O PRO A 46 16.297 0.467 0.810 1.00 0.00 O ATOM 699 CB PRO A 46 18.289 -2.206 0.483 1.00 0.00 C ATOM 700 CG PRO A 46 19.340 -1.399 -0.261 1.00 0.00 C ATOM 701 CD PRO A 46 18.652 -0.688 -1.415 1.00 0.00 C ATOM 0 HA PRO A 46 16.242 -2.518 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.386 -2.074 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.400 -3.271 0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.810 -0.677 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.130 -2.052 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.817 0.389 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 46 19.035 -1.031 -2.376 1.00 0.00 H new ATOM 709 N GLY A 47 15.663 -1.348 2.002 1.00 0.00 N ATOM 710 CA GLY A 47 15.314 -0.608 3.203 1.00 0.00 C ATOM 711 C GLY A 47 13.867 -0.112 3.140 1.00 0.00 C ATOM 712 O GLY A 47 13.361 0.457 4.105 1.00 0.00 O ATOM 0 H GLY A 47 15.409 -2.336 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.446 -1.244 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.988 0.240 3.321 1.00 0.00 H new ATOM 716 N LYS A 48 13.244 -0.347 1.995 1.00 0.00 N ATOM 717 CA LYS A 48 11.890 0.129 1.769 1.00 0.00 C ATOM 718 C LYS A 48 11.124 -0.902 0.937 1.00 0.00 C ATOM 719 O LYS A 48 11.728 -1.738 0.267 1.00 0.00 O ATOM 720 CB LYS A 48 11.910 1.527 1.149 1.00 0.00 C ATOM 721 CG LYS A 48 12.031 2.604 2.228 1.00 0.00 C ATOM 722 CD LYS A 48 13.397 3.292 2.166 1.00 0.00 C ATOM 723 CE LYS A 48 13.369 4.633 2.902 1.00 0.00 C ATOM 724 NZ LYS A 48 13.002 4.438 4.322 1.00 0.00 N ATOM 0 H LYS A 48 13.652 -0.861 1.214 1.00 0.00 H new ATOM 0 HA LYS A 48 11.360 0.233 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.746 1.608 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.999 1.686 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.241 3.344 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.890 2.156 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.154 2.645 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.682 3.450 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.346 5.111 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.653 5.302 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.246 5.291 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.980 4.262 4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.522 3.623 4.706 1.00 0.00 H new ATOM 738 N SER A 49 9.804 -0.809 1.008 1.00 0.00 N ATOM 739 CA SER A 49 8.956 -1.415 -0.004 1.00 0.00 C ATOM 740 C SER A 49 8.350 -0.331 -0.898 1.00 0.00 C ATOM 741 O SER A 49 8.718 0.838 -0.797 1.00 0.00 O ATOM 742 CB SER A 49 7.849 -2.256 0.636 1.00 0.00 C ATOM 743 OG SER A 49 8.300 -2.929 1.807 1.00 0.00 O ATOM 0 H SER A 49 9.301 -0.323 1.751 1.00 0.00 H new ATOM 0 HA SER A 49 9.571 -2.077 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.006 -1.613 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.486 -2.988 -0.086 1.00 0.00 H new ATOM 0 HG SER A 49 7.533 -3.322 2.274 1.00 0.00 H new ATOM 749 N ILE A 50 7.431 -0.758 -1.751 1.00 0.00 N ATOM 750 CA ILE A 50 6.627 0.180 -2.517 1.00 0.00 C ATOM 751 C ILE A 50 5.375 0.543 -1.717 1.00 0.00 C ATOM 752 O ILE A 50 4.827 -0.294 -1.001 1.00 0.00 O ATOM 753 CB ILE A 50 6.327 -0.382 -3.908 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.613 -0.828 -4.608 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.537 0.624 -4.747 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.593 0.338 -4.749 1.00 0.00 C ATOM 0 H ILE A 50 7.225 -1.741 -1.929 1.00 0.00 H new ATOM 0 HA ILE A 50 7.178 1.105 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 50 5.700 -1.266 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.080 -1.633 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.375 -1.229 -5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.337 0.200 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.593 0.850 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.117 1.540 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.498 -0.006 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.132 1.131 -5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.848 0.721 -3.761 1.00 0.00 H new ATOM 768 N GLY A 51 4.958 1.792 -1.865 1.00 0.00 N ATOM 769 CA GLY A 51 3.640 2.200 -1.410 1.00 0.00 C ATOM 770 C GLY A 51 3.407 3.690 -1.671 1.00 0.00 C ATOM 771 O GLY A 51 4.345 4.425 -1.976 1.00 0.00 O ATOM 0 H GLY A 51 5.510 2.535 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.877 1.614 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.539 1.994 -0.344 1.00 0.00 H new ATOM 775 N GLY A 52 2.151 4.091 -1.543 1.00 0.00 N ATOM 776 CA GLY A 52 1.782 5.479 -1.761 1.00 0.00 C ATOM 777 C GLY A 52 1.403 5.723 -3.223 1.00 0.00 C ATOM 778 O GLY A 52 1.268 6.868 -3.651 1.00 0.00 O ATOM 0 H GLY A 52 1.375 3.478 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.944 5.742 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.613 6.128 -1.484 1.00 0.00 H new ATOM 782 N ASP A 53 1.244 4.627 -3.950 1.00 0.00 N ATOM 783 CA ASP A 53 0.880 4.706 -5.355 1.00 0.00 C ATOM 784 C ASP A 53 -0.620 4.448 -5.504 1.00 0.00 C ATOM 785 O ASP A 53 -1.234 3.817 -4.645 1.00 0.00 O ATOM 786 CB ASP A 53 1.626 3.654 -6.177 1.00 0.00 C ATOM 787 CG ASP A 53 3.150 3.693 -6.048 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.658 3.032 -5.116 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.773 4.382 -6.884 1.00 0.00 O ATOM 0 H ASP A 53 1.361 3.679 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 53 1.145 5.700 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.276 2.666 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.362 3.781 -7.227 1.00 0.00 H new ATOM 794 N VAL A 54 -1.168 4.947 -6.603 1.00 0.00 N ATOM 795 CA VAL A 54 -2.602 5.159 -6.694 1.00 0.00 C ATOM 796 C VAL A 54 -3.289 3.833 -7.027 1.00 0.00 C ATOM 797 O VAL A 54 -2.751 3.024 -7.781 1.00 0.00 O ATOM 798 CB VAL A 54 -2.905 6.261 -7.711 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.413 6.418 -7.917 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.269 7.587 -7.288 1.00 0.00 C ATOM 0 H VAL A 54 -0.644 5.210 -7.438 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.999 5.500 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.466 5.967 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.601 7.208 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.830 5.480 -8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.885 6.678 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.499 8.353 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.666 7.888 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.188 7.466 -7.216 1.00 0.00 H new ATOM 810 N PHE A 55 -4.467 3.652 -6.449 1.00 0.00 N ATOM 811 CA PHE A 55 -5.204 2.412 -6.624 1.00 0.00 C ATOM 812 C PHE A 55 -6.321 2.579 -7.656 1.00 0.00 C ATOM 813 O PHE A 55 -6.786 1.600 -8.237 1.00 0.00 O ATOM 814 CB PHE A 55 -5.825 2.065 -5.270 1.00 0.00 C ATOM 815 CG PHE A 55 -6.756 0.851 -5.304 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.249 -0.399 -5.134 1.00 0.00 C ATOM 817 CD2 PHE A 55 -8.090 1.023 -5.505 1.00 0.00 C ATOM 818 CE1 PHE A 55 -7.113 -1.526 -5.166 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.954 -0.103 -5.537 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.448 -1.354 -5.367 1.00 0.00 C ATOM 0 H PHE A 55 -4.930 4.343 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.534 1.628 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.026 1.877 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.383 2.928 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.190 -0.535 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.492 2.016 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.711 -2.519 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.013 0.034 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.105 -2.211 -5.392 1.00 0.00 H new ATOM 830 N SER A 56 -6.720 3.828 -7.852 1.00 0.00 N ATOM 831 CA SER A 56 -7.507 4.187 -9.020 1.00 0.00 C ATOM 832 C SER A 56 -8.996 3.991 -8.727 1.00 0.00 C ATOM 833 O SER A 56 -9.794 4.909 -8.912 1.00 0.00 O ATOM 834 CB SER A 56 -7.093 3.361 -10.239 1.00 0.00 C ATOM 835 OG SER A 56 -7.394 4.027 -11.462 1.00 0.00 O ATOM 0 H SER A 56 -6.513 4.603 -7.222 1.00 0.00 H new ATOM 0 HA SER A 56 -7.322 5.237 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.024 3.156 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.604 2.398 -10.215 1.00 0.00 H new ATOM 0 HG SER A 56 -7.113 3.468 -12.217 1.00 0.00 H new ATOM 841 N ASN A 57 -9.325 2.790 -8.276 1.00 0.00 N ATOM 842 CA ASN A 57 -10.675 2.505 -7.823 1.00 0.00 C ATOM 843 C ASN A 57 -11.637 2.600 -9.009 1.00 0.00 C ATOM 844 O ASN A 57 -11.207 2.739 -10.152 1.00 0.00 O ATOM 845 CB ASN A 57 -11.127 3.515 -6.766 1.00 0.00 C ATOM 846 CG ASN A 57 -11.932 2.829 -5.660 1.00 0.00 C ATOM 847 OD1 ASN A 57 -11.436 1.993 -4.923 1.00 0.00 O ATOM 848 ND2 ASN A 57 -13.198 3.228 -5.586 1.00 0.00 N ATOM 0 H ASN A 57 -8.679 2.003 -8.215 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.681 1.504 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.257 4.009 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.733 4.290 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.818 2.830 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.549 3.932 -6.235 1.00 0.00 H new ATOM 855 N ARG A 58 -12.922 2.520 -8.695 1.00 0.00 N ATOM 856 CA ARG A 58 -13.951 2.662 -9.712 1.00 0.00 C ATOM 857 C ARG A 58 -13.761 1.613 -10.809 1.00 0.00 C ATOM 858 O ARG A 58 -13.410 1.948 -11.939 1.00 0.00 O ATOM 859 CB ARG A 58 -13.916 4.058 -10.339 1.00 0.00 C ATOM 860 CG ARG A 58 -14.365 5.121 -9.334 1.00 0.00 C ATOM 861 CD ARG A 58 -15.891 5.215 -9.279 1.00 0.00 C ATOM 862 NE ARG A 58 -16.298 6.318 -8.381 1.00 0.00 N ATOM 863 CZ ARG A 58 -16.315 7.610 -8.737 1.00 0.00 C ATOM 864 NH1 ARG A 58 -15.901 7.973 -9.959 1.00 0.00 N ATOM 865 NH2 ARG A 58 -16.744 8.538 -7.872 1.00 0.00 N ATOM 0 H ARG A 58 -13.274 2.359 -7.751 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.917 2.517 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.906 4.281 -10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.564 4.084 -11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.976 4.878 -8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.947 6.089 -9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.289 5.384 -10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.309 4.273 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.584 6.080 -7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.573 7.266 -10.617 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.914 8.956 -10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.058 8.262 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.757 9.521 -8.143 1.00 0.00 H new ATOM 879 N GLU A 59 -14.002 0.364 -10.437 1.00 0.00 N ATOM 880 CA GLU A 59 -14.029 -0.714 -11.411 1.00 0.00 C ATOM 881 C GLU A 59 -14.955 -1.836 -10.935 1.00 0.00 C ATOM 882 O GLU A 59 -15.874 -2.232 -11.649 1.00 0.00 O ATOM 883 CB GLU A 59 -12.620 -1.244 -11.682 1.00 0.00 C ATOM 884 CG GLU A 59 -12.631 -2.280 -12.808 1.00 0.00 C ATOM 885 CD GLU A 59 -13.044 -1.642 -14.136 1.00 0.00 C ATOM 886 OE1 GLU A 59 -12.195 -0.927 -14.711 1.00 0.00 O ATOM 887 OE2 GLU A 59 -14.200 -1.883 -14.546 1.00 0.00 O ATOM 0 H GLU A 59 -14.180 0.075 -9.475 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.420 -0.320 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.962 -0.417 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.215 -1.692 -10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.641 -2.726 -12.907 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.320 -3.087 -12.558 1.00 0.00 H new ATOM 894 N GLY A 60 -14.679 -2.315 -9.730 1.00 0.00 N ATOM 895 CA GLY A 60 -15.618 -3.182 -9.038 1.00 0.00 C ATOM 896 C GLY A 60 -14.994 -3.758 -7.765 1.00 0.00 C ATOM 897 O GLY A 60 -15.132 -4.948 -7.486 1.00 0.00 O ATOM 0 H GLY A 60 -13.820 -2.119 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.518 -2.622 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.923 -3.994 -9.698 1.00 0.00 H new ATOM 901 N ARG A 61 -14.322 -2.887 -7.026 1.00 0.00 N ATOM 902 CA ARG A 61 -13.536 -3.324 -5.885 1.00 0.00 C ATOM 903 C ARG A 61 -14.035 -2.646 -4.607 1.00 0.00 C ATOM 904 O ARG A 61 -14.797 -3.237 -3.843 1.00 0.00 O ATOM 905 CB ARG A 61 -12.054 -2.999 -6.080 1.00 0.00 C ATOM 906 CG ARG A 61 -11.315 -4.175 -6.722 1.00 0.00 C ATOM 907 CD ARG A 61 -11.547 -4.209 -8.234 1.00 0.00 C ATOM 908 NE ARG A 61 -10.714 -5.265 -8.851 1.00 0.00 N ATOM 909 CZ ARG A 61 -10.752 -5.588 -10.151 1.00 0.00 C ATOM 910 NH1 ARG A 61 -11.581 -4.939 -10.979 1.00 0.00 N ATOM 911 NH2 ARG A 61 -9.960 -6.561 -10.623 1.00 0.00 N ATOM 0 H ARG A 61 -14.306 -1.881 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.651 -4.404 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.952 -2.114 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.600 -2.761 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.248 -4.094 -6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.656 -5.110 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.600 -4.396 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.302 -3.240 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.071 -5.779 -8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.184 -4.199 -10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.610 -5.185 -11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.329 -7.055 -9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.989 -6.807 -11.612 1.00 0.00 H new ATOM 925 N LEU A 62 -13.586 -1.415 -4.414 1.00 0.00 N ATOM 926 CA LEU A 62 -13.979 -0.649 -3.243 1.00 0.00 C ATOM 927 C LEU A 62 -14.900 0.494 -3.672 1.00 0.00 C ATOM 928 O LEU A 62 -14.839 0.950 -4.813 1.00 0.00 O ATOM 929 CB LEU A 62 -12.745 -0.187 -2.466 1.00 0.00 C ATOM 930 CG LEU A 62 -11.727 -1.273 -2.114 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.297 -0.778 -2.337 1.00 0.00 C ATOM 932 CD2 LEU A 62 -11.941 -1.784 -0.688 1.00 0.00 C ATOM 0 H LEU A 62 -12.953 -0.928 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.546 -1.273 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.239 0.581 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.078 0.284 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.883 -2.117 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.594 -1.570 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.166 -0.503 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.111 0.092 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.204 -2.555 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.828 -0.959 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.943 -2.203 -0.598 1.00 0.00 H new ATOM 944 N PRO A 63 -15.754 0.937 -2.710 1.00 0.00 N ATOM 945 CA PRO A 63 -16.752 1.951 -3.004 1.00 0.00 C ATOM 946 C PRO A 63 -16.109 3.335 -3.119 1.00 0.00 C ATOM 947 O PRO A 63 -14.897 3.475 -2.966 1.00 0.00 O ATOM 948 CB PRO A 63 -17.757 1.855 -1.868 1.00 0.00 C ATOM 949 CG PRO A 63 -17.046 1.118 -0.744 1.00 0.00 C ATOM 950 CD PRO A 63 -15.792 0.485 -1.323 1.00 0.00 C ATOM 0 HA PRO A 63 -17.242 1.794 -3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.077 2.846 -1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.652 1.318 -2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.789 1.806 0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.696 0.355 -0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.902 0.801 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.833 -0.603 -1.262 1.00 0.00 H new ATOM 958 N SER A 64 -16.951 4.322 -3.388 1.00 0.00 N ATOM 959 CA SER A 64 -16.496 5.701 -3.436 1.00 0.00 C ATOM 960 C SER A 64 -17.618 6.638 -2.984 1.00 0.00 C ATOM 961 O SER A 64 -18.761 6.213 -2.826 1.00 0.00 O ATOM 962 CB SER A 64 -16.024 6.078 -4.842 1.00 0.00 C ATOM 963 OG SER A 64 -17.038 5.867 -5.820 1.00 0.00 O ATOM 0 H SER A 64 -17.946 4.194 -3.575 1.00 0.00 H new ATOM 0 HA SER A 64 -15.649 5.805 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.721 7.125 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.144 5.488 -5.099 1.00 0.00 H new ATOM 0 HG SER A 64 -16.966 4.956 -6.175 1.00 0.00 H new ATOM 969 N ALA A 65 -17.252 7.897 -2.789 1.00 0.00 N ATOM 970 CA ALA A 65 -18.184 8.872 -2.247 1.00 0.00 C ATOM 971 C ALA A 65 -17.819 10.263 -2.768 1.00 0.00 C ATOM 972 O ALA A 65 -16.981 10.949 -2.184 1.00 0.00 O ATOM 973 CB ALA A 65 -18.169 8.798 -0.719 1.00 0.00 C ATOM 0 H ALA A 65 -16.323 8.264 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.201 8.654 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.868 9.529 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.464 7.798 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.165 9.014 -0.354 1.00 0.00 H new ATOM 979 N SER A 66 -18.466 10.639 -3.861 1.00 0.00 N ATOM 980 CA SER A 66 -18.279 11.966 -4.423 1.00 0.00 C ATOM 981 C SER A 66 -16.802 12.191 -4.753 1.00 0.00 C ATOM 982 O SER A 66 -16.221 13.202 -4.361 1.00 0.00 O ATOM 983 CB SER A 66 -18.778 13.047 -3.461 1.00 0.00 C ATOM 984 OG SER A 66 -18.814 14.332 -4.075 1.00 0.00 O ATOM 0 H SER A 66 -19.121 10.048 -4.373 1.00 0.00 H new ATOM 0 HA SER A 66 -18.865 12.035 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 66 -19.776 12.786 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.129 13.081 -2.586 1.00 0.00 H new ATOM 0 HG SER A 66 -17.919 14.564 -4.400 1.00 0.00 H new ATOM 990 N GLY A 67 -16.237 11.231 -5.471 1.00 0.00 N ATOM 991 CA GLY A 67 -14.890 11.384 -5.995 1.00 0.00 C ATOM 992 C GLY A 67 -13.845 11.097 -4.914 1.00 0.00 C ATOM 993 O GLY A 67 -12.845 11.805 -4.811 1.00 0.00 O ATOM 0 H GLY A 67 -16.687 10.345 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.744 10.706 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.757 12.397 -6.375 1.00 0.00 H new ATOM 997 N ARG A 68 -14.114 10.059 -4.137 1.00 0.00 N ATOM 998 CA ARG A 68 -13.185 9.638 -3.102 1.00 0.00 C ATOM 999 C ARG A 68 -12.064 8.790 -3.707 1.00 0.00 C ATOM 1000 O ARG A 68 -12.329 7.814 -4.408 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.898 8.830 -2.017 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.967 8.561 -0.833 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.748 8.017 0.366 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.323 6.694 0.038 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.256 6.076 0.775 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.605 6.575 1.968 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -15.839 4.959 0.319 1.00 0.00 N ATOM 0 H ARG A 68 -14.962 9.496 -4.203 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.762 10.536 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.780 9.372 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.246 7.884 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.198 7.846 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.456 9.481 -0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.090 7.932 1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.543 8.711 0.637 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.988 6.222 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.161 7.425 2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.315 6.105 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.573 4.579 -0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.549 4.489 0.880 1.00 0.00 H new ATOM 1021 N THR A 69 -10.836 9.193 -3.415 1.00 0.00 N ATOM 1022 CA THR A 69 -9.677 8.562 -4.022 1.00 0.00 C ATOM 1023 C THR A 69 -9.126 7.465 -3.108 1.00 0.00 C ATOM 1024 O THR A 69 -9.346 7.493 -1.898 1.00 0.00 O ATOM 1025 CB THR A 69 -8.657 9.656 -4.342 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.453 10.766 -4.746 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.816 9.330 -5.578 1.00 0.00 C ATOM 0 H THR A 69 -10.619 9.949 -2.766 1.00 0.00 H new ATOM 0 HA THR A 69 -9.942 8.062 -4.954 1.00 0.00 H new ATOM 0 HB THR A 69 -8.000 9.801 -3.484 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.871 11.522 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.109 10.139 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.270 8.401 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.469 9.217 -6.443 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.422 6.526 -3.722 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.821 5.434 -2.976 1.00 0.00 C ATOM 1037 C TRP A 70 -6.331 5.388 -3.323 1.00 0.00 C ATOM 1038 O TRP A 70 -5.928 5.821 -4.401 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.541 4.114 -3.259 1.00 0.00 C ATOM 1040 CG TRP A 70 -9.988 4.076 -2.762 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.051 4.717 -3.266 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.490 3.329 -1.634 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.197 4.439 -2.549 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.844 3.567 -1.525 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.821 2.478 -0.736 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.646 2.994 -0.531 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.636 1.913 0.252 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.002 2.143 0.375 1.00 0.00 C ATOM 0 H TRP A 70 -8.254 6.499 -4.728 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.924 5.598 -1.903 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.532 3.930 -4.333 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -7.985 3.301 -2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.016 5.370 -4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.130 4.805 -2.736 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.762 2.276 -0.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.705 3.198 -0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.171 1.252 0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.563 1.667 1.166 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.555 4.858 -2.389 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.161 4.550 -2.661 1.00 0.00 C ATOM 1061 C ARG A 71 -3.781 3.208 -2.031 1.00 0.00 C ATOM 1062 O ARG A 71 -4.339 2.820 -1.006 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.239 5.642 -2.114 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.380 6.934 -2.921 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.045 7.676 -3.006 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.220 8.951 -3.736 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.210 9.744 -4.117 1.00 0.00 C ATOM 1068 NH1 ARG A 71 0.054 9.401 -3.833 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -1.463 10.880 -4.781 1.00 0.00 N ATOM 0 H ARG A 71 -5.865 4.634 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.038 4.495 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.478 5.834 -1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.205 5.300 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.736 6.703 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.128 7.577 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.663 7.871 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.306 7.055 -3.513 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.170 9.245 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.246 8.537 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.824 10.004 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.425 11.141 -4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.693 11.483 -5.071 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.835 2.537 -2.670 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.419 1.219 -2.222 1.00 0.00 C ATOM 1085 C GLU A 72 -1.030 1.288 -1.585 1.00 0.00 C ATOM 1086 O GLU A 72 -0.316 2.277 -1.750 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.443 0.215 -3.376 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.303 0.483 -4.361 1.00 0.00 C ATOM 1089 CD GLU A 72 -0.259 -0.634 -4.308 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -0.486 -1.656 -4.992 1.00 0.00 O ATOM 1091 OE2 GLU A 72 0.742 -0.441 -3.586 1.00 0.00 O ATOM 0 H GLU A 72 -2.344 2.881 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.126 0.874 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.358 -0.798 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.399 0.276 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.703 0.565 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.832 1.438 -4.127 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.687 0.226 -0.871 1.00 0.00 N ATOM 1099 CA ALA A 73 0.643 0.107 -0.298 1.00 0.00 C ATOM 1100 C ALA A 73 0.932 -1.365 0.006 1.00 0.00 C ATOM 1101 O ALA A 73 0.014 -2.139 0.271 1.00 0.00 O ATOM 1102 CB ALA A 73 0.744 0.991 0.946 1.00 0.00 C ATOM 0 H ALA A 73 -1.307 -0.560 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 73 1.398 0.452 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.742 0.902 1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.559 2.029 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.003 0.673 1.680 1.00 0.00 H new ATOM 1108 N ASP A 74 2.211 -1.705 -0.041 1.00 0.00 N ATOM 1109 CA ASP A 74 2.628 -3.080 0.176 1.00 0.00 C ATOM 1110 C ASP A 74 2.636 -3.375 1.678 1.00 0.00 C ATOM 1111 O ASP A 74 3.056 -2.539 2.476 1.00 0.00 O ATOM 1112 CB ASP A 74 4.041 -3.319 -0.360 1.00 0.00 C ATOM 1113 CG ASP A 74 4.198 -3.137 -1.871 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.149 -3.025 -2.541 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.364 -3.113 -2.321 1.00 0.00 O ATOM 0 H ASP A 74 2.973 -1.052 -0.226 1.00 0.00 H new ATOM 0 HA ASP A 74 1.929 -3.731 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.725 -2.638 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.347 -4.332 -0.097 1.00 0.00 H new ATOM 1120 N ILE A 75 2.168 -4.567 2.017 1.00 0.00 N ATOM 1121 CA ILE A 75 2.330 -5.079 3.367 1.00 0.00 C ATOM 1122 C ILE A 75 3.260 -6.293 3.339 1.00 0.00 C ATOM 1123 O ILE A 75 3.012 -7.253 2.612 1.00 0.00 O ATOM 1124 CB ILE A 75 0.966 -5.363 4.000 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.098 -4.104 4.020 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.125 -5.972 5.394 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.727 -3.018 4.894 1.00 0.00 C ATOM 0 H ILE A 75 1.676 -5.193 1.380 1.00 0.00 H new ATOM 0 HA ILE A 75 2.801 -4.331 4.004 1.00 0.00 H new ATOM 0 HB ILE A 75 0.450 -6.099 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.029 -3.730 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.895 -4.349 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.141 -6.164 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.678 -6.908 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.670 -5.278 6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.090 -2.134 4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.831 -3.387 5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.710 -2.758 4.501 1.00 0.00 H new ATOM 1139 N ASN A 76 4.312 -6.211 4.141 1.00 0.00 N ATOM 1140 CA ASN A 76 5.366 -7.210 4.097 1.00 0.00 C ATOM 1141 C ASN A 76 6.003 -7.211 2.706 1.00 0.00 C ATOM 1142 O ASN A 76 5.308 -7.351 1.701 1.00 0.00 O ATOM 1143 CB ASN A 76 4.810 -8.610 4.364 1.00 0.00 C ATOM 1144 CG ASN A 76 3.563 -8.546 5.247 1.00 0.00 C ATOM 1145 OD1 ASN A 76 2.534 -9.135 4.957 1.00 0.00 O ATOM 1146 ND2 ASN A 76 3.710 -7.799 6.338 1.00 0.00 N ATOM 0 H ASN A 76 4.457 -5.468 4.825 1.00 0.00 H new ATOM 0 HA ASN A 76 6.099 -6.961 4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.566 -9.094 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.572 -9.221 4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.934 -7.692 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.599 -7.333 6.521 1.00 0.00 H new ATOM 1153 N TYR A 77 7.319 -7.054 2.692 1.00 0.00 N ATOM 1154 CA TYR A 77 8.087 -7.280 1.480 1.00 0.00 C ATOM 1155 C TYR A 77 9.450 -7.897 1.801 1.00 0.00 C ATOM 1156 O TYR A 77 10.436 -7.180 1.970 1.00 0.00 O ATOM 1157 CB TYR A 77 8.300 -5.902 0.852 1.00 0.00 C ATOM 1158 CG TYR A 77 8.472 -5.930 -0.668 1.00 0.00 C ATOM 1159 CD1 TYR A 77 9.662 -6.358 -1.220 1.00 0.00 C ATOM 1160 CD2 TYR A 77 7.436 -5.527 -1.487 1.00 0.00 C ATOM 1161 CE1 TYR A 77 9.824 -6.384 -2.650 1.00 0.00 C ATOM 1162 CE2 TYR A 77 7.598 -5.554 -2.918 1.00 0.00 C ATOM 1163 CZ TYR A 77 8.784 -5.981 -3.429 1.00 0.00 C ATOM 1164 OH TYR A 77 8.937 -6.006 -4.780 1.00 0.00 O ATOM 0 H TYR A 77 7.873 -6.773 3.501 1.00 0.00 H new ATOM 0 HA TYR A 77 7.561 -7.965 0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.450 -5.266 1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.182 -5.443 1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.472 -6.674 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.505 -5.192 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.751 -6.716 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.796 -5.242 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 77 9.195 -6.908 -5.063 1.00 0.00 H new ATOM 1174 N VAL A 78 9.463 -9.219 1.877 1.00 0.00 N ATOM 1175 CA VAL A 78 10.716 -9.953 1.941 1.00 0.00 C ATOM 1176 C VAL A 78 10.953 -10.666 0.609 1.00 0.00 C ATOM 1177 O VAL A 78 12.073 -10.686 0.102 1.00 0.00 O ATOM 1178 CB VAL A 78 10.701 -10.909 3.136 1.00 0.00 C ATOM 1179 CG1 VAL A 78 12.022 -11.673 3.242 1.00 0.00 C ATOM 1180 CG2 VAL A 78 10.396 -10.158 4.434 1.00 0.00 C ATOM 0 H VAL A 78 8.626 -9.802 1.896 1.00 0.00 H new ATOM 0 HA VAL A 78 11.551 -9.270 2.097 1.00 0.00 H new ATOM 0 HB VAL A 78 9.905 -11.636 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.986 -12.345 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.181 -12.252 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.842 -10.966 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.391 -10.860 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.160 -9.399 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.420 -9.680 4.357 1.00 0.00 H new ATOM 1190 N SER A 79 9.880 -11.235 0.079 1.00 0.00 N ATOM 1191 CA SER A 79 9.952 -11.928 -1.196 1.00 0.00 C ATOM 1192 C SER A 79 10.371 -10.954 -2.299 1.00 0.00 C ATOM 1193 O SER A 79 10.475 -9.751 -2.062 1.00 0.00 O ATOM 1194 CB SER A 79 8.614 -12.582 -1.545 1.00 0.00 C ATOM 1195 OG SER A 79 8.087 -13.335 -0.455 1.00 0.00 O ATOM 0 H SER A 79 8.955 -11.230 0.510 1.00 0.00 H new ATOM 0 HA SER A 79 10.700 -12.717 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.898 -11.812 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.744 -13.235 -2.408 1.00 0.00 H new ATOM 0 HG SER A 79 7.232 -13.735 -0.717 1.00 0.00 H new ATOM 1201 N GLY A 80 10.599 -11.509 -3.480 1.00 0.00 N ATOM 1202 CA GLY A 80 11.061 -10.713 -4.604 1.00 0.00 C ATOM 1203 C GLY A 80 9.968 -9.758 -5.087 1.00 0.00 C ATOM 1204 O GLY A 80 9.599 -8.822 -4.379 1.00 0.00 O ATOM 0 H GLY A 80 10.472 -12.501 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.943 -10.143 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.361 -11.370 -5.420 1.00 0.00 H new ATOM 1208 N PHE A 81 9.480 -10.027 -6.288 1.00 0.00 N ATOM 1209 CA PHE A 81 8.495 -9.157 -6.908 1.00 0.00 C ATOM 1210 C PHE A 81 7.230 -9.063 -6.052 1.00 0.00 C ATOM 1211 O PHE A 81 7.108 -9.753 -5.042 1.00 0.00 O ATOM 1212 CB PHE A 81 8.136 -9.778 -8.260 1.00 0.00 C ATOM 1213 CG PHE A 81 9.339 -10.004 -9.179 1.00 0.00 C ATOM 1214 CD1 PHE A 81 10.156 -8.965 -9.497 1.00 0.00 C ATOM 1215 CD2 PHE A 81 9.589 -11.244 -9.679 1.00 0.00 C ATOM 1216 CE1 PHE A 81 11.272 -9.174 -10.350 1.00 0.00 C ATOM 1217 CE2 PHE A 81 10.705 -11.453 -10.532 1.00 0.00 C ATOM 1218 CZ PHE A 81 11.522 -10.414 -10.850 1.00 0.00 C ATOM 0 H PHE A 81 9.748 -10.835 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 81 8.903 -8.152 -7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.638 -10.732 -8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.420 -9.131 -8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.956 -7.980 -9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.939 -12.069 -9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.922 -8.349 -10.602 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.905 -12.438 -10.928 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.370 -10.573 -11.500 1.00 0.00 H new ATOM 1228 N ARG A 82 6.321 -8.203 -6.488 1.00 0.00 N ATOM 1229 CA ARG A 82 5.389 -7.570 -5.571 1.00 0.00 C ATOM 1230 C ARG A 82 4.346 -8.583 -5.092 1.00 0.00 C ATOM 1231 O ARG A 82 3.722 -9.267 -5.902 1.00 0.00 O ATOM 1232 CB ARG A 82 4.676 -6.391 -6.237 1.00 0.00 C ATOM 1233 CG ARG A 82 5.667 -5.516 -7.008 1.00 0.00 C ATOM 1234 CD ARG A 82 5.268 -4.041 -6.934 1.00 0.00 C ATOM 1235 NE ARG A 82 3.798 -3.908 -7.037 1.00 0.00 N ATOM 1236 CZ ARG A 82 3.075 -3.011 -6.353 1.00 0.00 C ATOM 1237 NH1 ARG A 82 3.683 -1.982 -5.747 1.00 0.00 N ATOM 1238 NH2 ARG A 82 1.744 -3.142 -6.276 1.00 0.00 N ATOM 0 H ARG A 82 6.210 -7.930 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 82 5.960 -7.200 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.908 -6.762 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.170 -5.793 -5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.668 -5.647 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.705 -5.834 -8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.616 -3.609 -5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.749 -3.485 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 82 3.304 -4.539 -7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.696 -1.882 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.132 -1.299 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.281 -3.925 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.194 -2.459 -5.755 1.00 0.00 H new ATOM 1252 N ASN A 83 4.190 -8.646 -3.778 1.00 0.00 N ATOM 1253 CA ASN A 83 3.358 -9.671 -3.172 1.00 0.00 C ATOM 1254 C ASN A 83 1.920 -9.158 -3.068 1.00 0.00 C ATOM 1255 O ASN A 83 1.678 -7.955 -3.157 1.00 0.00 O ATOM 1256 CB ASN A 83 3.841 -10.010 -1.760 1.00 0.00 C ATOM 1257 CG ASN A 83 3.908 -8.755 -0.887 1.00 0.00 C ATOM 1258 OD1 ASN A 83 2.932 -8.328 -0.294 1.00 0.00 O ATOM 1259 ND2 ASN A 83 5.112 -8.191 -0.843 1.00 0.00 N ATOM 0 H ASN A 83 4.626 -8.004 -3.116 1.00 0.00 H new ATOM 0 HA ASN A 83 3.414 -10.563 -3.796 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.168 -10.737 -1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.825 -10.475 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.260 -7.348 -0.288 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.887 -8.601 -1.364 1.00 0.00 H new ATOM 1266 N ALA A 84 1.003 -10.096 -2.882 1.00 0.00 N ATOM 1267 CA ALA A 84 -0.413 -9.794 -3.006 1.00 0.00 C ATOM 1268 C ALA A 84 -0.926 -9.225 -1.682 1.00 0.00 C ATOM 1269 O ALA A 84 -1.976 -8.585 -1.643 1.00 0.00 O ATOM 1270 CB ALA A 84 -1.169 -11.055 -3.431 1.00 0.00 C ATOM 0 H ALA A 84 1.213 -11.066 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.579 -9.040 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.231 -10.828 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.787 -11.402 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.028 -11.834 -2.681 1.00 0.00 H new ATOM 1276 N ASP A 85 -0.162 -9.479 -0.629 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.502 -8.959 0.684 1.00 0.00 C ATOM 1278 C ASP A 85 -0.326 -7.439 0.687 1.00 0.00 C ATOM 1279 O ASP A 85 0.796 -6.940 0.745 1.00 0.00 O ATOM 1280 CB ASP A 85 0.415 -9.542 1.761 1.00 0.00 C ATOM 1281 CG ASP A 85 0.041 -10.947 2.237 1.00 0.00 C ATOM 1282 OD1 ASP A 85 -0.174 -11.807 1.355 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.023 -11.130 3.472 1.00 0.00 O ATOM 0 H ASP A 85 0.691 -10.038 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.534 -9.236 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.434 -9.565 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.414 -8.871 2.620 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.454 -6.745 0.624 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.436 -5.307 0.420 1.00 0.00 C ATOM 1290 C ARG A 86 -2.535 -4.639 1.249 1.00 0.00 C ATOM 1291 O ARG A 86 -3.478 -5.300 1.682 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.639 -4.958 -1.056 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.462 -5.450 -1.902 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.698 -5.166 -3.387 1.00 0.00 C ATOM 1295 NE ARG A 86 0.303 -5.886 -4.205 1.00 0.00 N ATOM 1296 CZ ARG A 86 0.199 -6.072 -5.528 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -0.737 -5.415 -6.225 1.00 0.00 N ATOM 1298 NH2 ARG A 86 1.032 -6.916 -6.153 1.00 0.00 N ATOM 0 H ARG A 86 -2.385 -7.152 0.711 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.461 -4.939 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.564 -5.408 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.746 -3.879 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.455 -4.960 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.323 -6.520 -1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.703 -5.478 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.632 -4.095 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 86 1.124 -6.265 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.371 -4.773 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.816 -5.557 -7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.745 -7.416 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.953 -7.058 -7.160 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.377 -3.339 1.446 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.355 -2.571 2.197 1.00 0.00 C ATOM 1314 C LEU A 87 -3.752 -1.332 1.391 1.00 0.00 C ATOM 1315 O LEU A 87 -2.890 -0.582 0.934 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.826 -2.251 3.596 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.715 -1.356 4.462 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.741 -1.847 5.911 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.284 0.108 4.360 1.00 0.00 C ATOM 0 H LEU A 87 -1.586 -2.797 1.098 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.262 -3.156 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.665 -3.190 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.852 -1.772 3.494 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.735 -1.418 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.380 -1.194 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.132 -2.864 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.730 -1.834 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.932 0.722 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.253 0.208 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.360 0.438 3.324 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.056 -1.154 1.243 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.577 -0.055 0.449 1.00 0.00 C ATOM 1333 C VAL A 88 -6.486 0.813 1.321 1.00 0.00 C ATOM 1334 O VAL A 88 -7.399 0.305 1.969 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.282 -0.596 -0.797 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.482 0.508 -1.837 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.514 -1.778 -1.391 1.00 0.00 C ATOM 0 H VAL A 88 -5.768 -1.753 1.660 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.764 0.579 0.096 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.267 -0.954 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.985 0.097 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.091 1.305 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.513 0.910 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.036 -2.144 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.510 -1.457 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.448 -2.577 -0.652 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.204 2.108 1.309 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.885 3.030 2.201 1.00 0.00 C ATOM 1349 C TYR A 89 -7.450 4.224 1.429 1.00 0.00 C ATOM 1350 O TYR A 89 -6.862 4.665 0.443 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.822 3.530 3.182 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.663 4.275 2.518 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.747 5.636 2.309 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.533 3.585 2.128 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.656 6.337 1.683 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.442 4.286 1.503 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.557 5.628 1.311 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.527 6.290 0.720 1.00 0.00 O ATOM 0 H TYR A 89 -5.513 2.540 0.695 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.717 2.535 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.295 4.190 3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.424 2.679 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.631 6.176 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.467 2.519 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.709 7.402 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.552 3.758 1.193 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.809 5.657 0.509 1.00 0.00 H new ATOM 1368 N SER A 90 -8.585 4.714 1.907 1.00 0.00 N ATOM 1369 CA SER A 90 -9.293 5.776 1.213 1.00 0.00 C ATOM 1370 C SER A 90 -8.842 7.138 1.743 1.00 0.00 C ATOM 1371 O SER A 90 -8.019 7.213 2.654 1.00 0.00 O ATOM 1372 CB SER A 90 -10.807 5.621 1.367 1.00 0.00 C ATOM 1373 OG SER A 90 -11.237 5.879 2.700 1.00 0.00 O ATOM 0 H SER A 90 -9.032 4.395 2.767 1.00 0.00 H new ATOM 0 HA SER A 90 -9.055 5.709 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.313 6.304 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.099 4.610 1.081 1.00 0.00 H new ATOM 0 HG SER A 90 -11.867 6.630 2.701 1.00 0.00 H new ATOM 1379 N SER A 91 -9.402 8.183 1.150 1.00 0.00 N ATOM 1380 CA SER A 91 -8.987 9.538 1.472 1.00 0.00 C ATOM 1381 C SER A 91 -9.444 9.902 2.886 1.00 0.00 C ATOM 1382 O SER A 91 -8.712 10.552 3.631 1.00 0.00 O ATOM 1383 CB SER A 91 -9.543 10.540 0.459 1.00 0.00 C ATOM 1384 OG SER A 91 -9.084 10.273 -0.863 1.00 0.00 O ATOM 0 H SER A 91 -10.140 8.118 0.448 1.00 0.00 H new ATOM 0 HA SER A 91 -7.899 9.583 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.632 10.508 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.249 11.549 0.748 1.00 0.00 H new ATOM 0 HG SER A 91 -9.271 9.339 -1.092 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.652 9.468 3.213 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.216 9.741 4.524 1.00 0.00 C ATOM 1392 C ASP A 92 -10.913 8.569 5.459 1.00 0.00 C ATOM 1393 O ASP A 92 -11.477 8.476 6.548 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.735 9.904 4.448 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.485 8.709 3.855 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.879 7.616 3.828 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.646 8.916 3.442 1.00 0.00 O ATOM 0 H ASP A 92 -11.256 8.929 2.593 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.773 10.665 4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.116 10.091 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.961 10.788 3.852 1.00 0.00 H new ATOM 1402 N TRP A 93 -10.022 7.702 5.000 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.336 6.787 5.896 1.00 0.00 C ATOM 1404 C TRP A 93 -10.335 5.711 6.328 1.00 0.00 C ATOM 1405 O TRP A 93 -10.472 5.428 7.517 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.718 7.537 7.078 1.00 0.00 C ATOM 1407 CG TRP A 93 -8.011 8.837 6.688 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.347 10.091 7.021 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.826 8.960 5.873 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.469 11.009 6.483 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.515 10.300 5.762 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.044 7.972 5.250 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.417 10.774 5.035 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.950 8.462 4.527 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.623 9.808 4.406 1.00 0.00 C ATOM 0 H TRP A 93 -9.759 7.614 4.018 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.501 6.304 5.389 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.502 7.764 7.801 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.004 6.882 7.577 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.198 10.350 7.633 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.512 12.022 6.594 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.269 6.918 5.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.194 11.828 4.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.316 7.744 4.028 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.760 10.107 3.829 1.00 0.00 H new ATOM 1426 N LEU A 94 -11.006 5.140 5.338 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.571 3.810 5.487 1.00 0.00 C ATOM 1428 C LEU A 94 -10.654 2.792 4.806 1.00 0.00 C ATOM 1429 O LEU A 94 -10.327 2.935 3.629 1.00 0.00 O ATOM 1430 CB LEU A 94 -13.012 3.779 4.973 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.097 4.119 5.997 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.015 5.589 6.415 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -15.484 3.749 5.469 1.00 0.00 C ATOM 0 H LEU A 94 -11.171 5.574 4.430 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.627 3.536 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.095 4.477 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.214 2.784 4.576 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.923 3.520 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -14.797 5.804 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.040 5.787 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.150 6.224 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.237 4.001 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.684 4.303 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.521 2.679 5.263 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.264 1.786 5.577 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.131 0.956 5.206 1.00 0.00 C ATOM 1447 C ILE A 95 -9.614 -0.474 4.954 1.00 0.00 C ATOM 1448 O ILE A 95 -10.523 -0.954 5.628 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.027 1.055 6.261 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -7.784 2.510 6.665 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.746 0.372 5.778 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -6.674 2.610 7.714 1.00 0.00 C ATOM 0 H ILE A 95 -10.713 1.528 6.456 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.685 1.311 4.277 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.358 0.525 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.512 3.095 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.704 2.939 7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.977 0.456 6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.947 -0.681 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.400 0.853 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.521 3.655 7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.960 2.044 8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.749 2.202 7.305 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.983 -1.114 3.980 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.221 -2.527 3.736 1.00 0.00 C ATOM 1466 C TYR A 96 -7.929 -3.238 3.327 1.00 0.00 C ATOM 1467 O TYR A 96 -7.122 -2.686 2.581 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.215 -2.593 2.575 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.633 -2.153 2.944 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.971 -0.815 2.912 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.574 -3.094 3.309 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.306 -0.401 3.259 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.909 -2.680 3.657 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.209 -1.354 3.615 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.470 -0.963 3.943 1.00 0.00 O ATOM 0 H TYR A 96 -8.307 -0.680 3.351 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.597 -3.014 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.851 -1.965 1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.249 -3.615 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.234 -0.079 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.310 -4.141 3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.584 0.642 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.655 -3.406 3.945 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.006 -1.750 4.175 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.774 -4.452 3.834 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.597 -5.246 3.527 1.00 0.00 C ATOM 1487 C LYS A 97 -6.970 -6.332 2.515 1.00 0.00 C ATOM 1488 O LYS A 97 -8.149 -6.615 2.309 1.00 0.00 O ATOM 1489 CB LYS A 97 -5.967 -5.791 4.810 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.808 -6.929 5.393 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.124 -8.281 5.182 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.079 -9.434 5.498 1.00 0.00 C ATOM 1493 NZ LYS A 97 -7.460 -9.413 6.928 1.00 0.00 N ATOM 0 H LYS A 97 -8.444 -4.905 4.455 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.830 -4.626 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.959 -6.149 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.875 -4.990 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.966 -6.760 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.791 -6.937 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.780 -8.361 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.242 -8.350 5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.971 -9.356 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.604 -10.385 5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.996 -10.274 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.603 -9.373 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.049 -8.577 7.118 1.00 0.00 H new ATOM 1507 N THR A 98 -5.943 -6.911 1.911 1.00 0.00 N ATOM 1508 CA THR A 98 -6.138 -8.050 1.030 1.00 0.00 C ATOM 1509 C THR A 98 -4.874 -8.912 0.984 1.00 0.00 C ATOM 1510 O THR A 98 -3.770 -8.413 1.197 1.00 0.00 O ATOM 1511 CB THR A 98 -6.561 -7.519 -0.341 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.592 -8.679 -1.168 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.490 -6.633 -0.982 1.00 0.00 C ATOM 0 H THR A 98 -4.973 -6.613 2.014 1.00 0.00 H new ATOM 0 HA THR A 98 -6.927 -8.705 1.399 1.00 0.00 H new ATOM 0 HB THR A 98 -7.488 -6.954 -0.241 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.522 -8.943 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.841 -6.283 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.292 -5.777 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.573 -7.208 -1.113 1.00 0.00 H new ATOM 1521 N THR A 99 -5.079 -10.191 0.706 1.00 0.00 N ATOM 1522 CA THR A 99 -3.970 -11.075 0.391 1.00 0.00 C ATOM 1523 C THR A 99 -4.163 -11.701 -0.992 1.00 0.00 C ATOM 1524 O THR A 99 -3.310 -12.453 -1.461 1.00 0.00 O ATOM 1525 CB THR A 99 -3.854 -12.107 1.514 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.148 -12.699 1.576 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.674 -11.459 2.889 1.00 0.00 C ATOM 0 H THR A 99 -5.997 -10.636 0.692 1.00 0.00 H new ATOM 0 HA THR A 99 -3.030 -10.526 0.336 1.00 0.00 H new ATOM 0 HB THR A 99 -3.012 -12.770 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.162 -13.382 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.597 -12.236 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.765 -10.857 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.532 -10.822 3.106 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.288 -11.367 -1.606 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.801 -12.157 -2.712 1.00 0.00 C ATOM 1537 C ASP A 100 -5.799 -11.308 -3.984 1.00 0.00 C ATOM 1538 O ASP A 100 -6.434 -11.666 -4.975 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.238 -12.609 -2.446 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.137 -11.556 -1.794 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.259 -10.465 -2.392 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.682 -11.866 -0.713 1.00 0.00 O ATOM 0 H ASP A 100 -5.859 -10.559 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.163 -13.033 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.688 -12.914 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.213 -13.491 -1.805 1.00 0.00 H new ATOM 1547 N HIS A 101 -5.079 -10.198 -3.915 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.960 -9.311 -5.060 1.00 0.00 C ATOM 1549 C HIS A 101 -6.348 -8.816 -5.472 1.00 0.00 C ATOM 1550 O HIS A 101 -6.848 -9.175 -6.537 1.00 0.00 O ATOM 1551 CB HIS A 101 -4.211 -9.997 -6.204 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.904 -9.087 -7.369 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.859 -8.179 -7.356 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -4.512 -8.956 -8.583 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.850 -7.535 -8.514 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -3.876 -8.018 -9.273 1.00 0.00 N ATOM 0 H HIS A 101 -4.572 -9.893 -3.084 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.367 -8.438 -4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.277 -10.406 -5.819 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.805 -10.839 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.367 -9.521 -8.925 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.153 -6.763 -8.806 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -4.115 -7.709 -10.215 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.931 -8.000 -4.606 1.00 0.00 N ATOM 1565 CA TYR A 102 -8.088 -7.208 -4.987 1.00 0.00 C ATOM 1566 C TYR A 102 -9.226 -8.102 -5.485 1.00 0.00 C ATOM 1567 O TYR A 102 -9.927 -7.750 -6.432 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.623 -6.308 -6.134 1.00 0.00 C ATOM 1569 CG TYR A 102 -6.283 -5.616 -5.878 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -5.998 -5.104 -4.629 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -5.359 -5.504 -6.897 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.737 -4.452 -4.388 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -4.098 -4.852 -6.656 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.849 -4.359 -5.414 1.00 0.00 C ATOM 1575 OH TYR A 102 -2.657 -3.743 -5.186 1.00 0.00 O ATOM 0 H TYR A 102 -6.624 -7.870 -3.642 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.462 -6.641 -4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.544 -6.906 -7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.383 -5.549 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.721 -5.192 -3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.582 -5.905 -7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.502 -4.046 -3.415 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.366 -4.757 -7.445 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.618 -3.440 -4.255 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.373 -9.241 -4.824 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.516 -10.104 -5.065 1.00 0.00 C ATOM 1587 C ALA A 103 -11.554 -9.888 -3.962 1.00 0.00 C ATOM 1588 O ALA A 103 -12.699 -9.534 -4.241 1.00 0.00 O ATOM 1589 CB ALA A 103 -10.050 -11.558 -5.150 1.00 0.00 C ATOM 0 H ALA A 103 -8.719 -9.586 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.989 -9.858 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.908 -12.205 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.337 -11.664 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.572 -11.842 -4.212 1.00 0.00 H new ATOM 1595 N THR A 104 -11.117 -10.110 -2.731 1.00 0.00 N ATOM 1596 CA THR A 104 -11.991 -9.935 -1.583 1.00 0.00 C ATOM 1597 C THR A 104 -11.277 -9.147 -0.484 1.00 0.00 C ATOM 1598 O THR A 104 -10.136 -9.451 -0.138 1.00 0.00 O ATOM 1599 CB THR A 104 -12.461 -11.319 -1.131 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.265 -12.092 -1.080 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.314 -12.023 -2.189 1.00 0.00 C ATOM 0 H THR A 104 -10.169 -10.410 -2.503 1.00 0.00 H new ATOM 0 HA THR A 104 -12.871 -9.346 -1.842 1.00 0.00 H new ATOM 0 HB THR A 104 -13.033 -11.224 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.524 -11.528 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.621 -13.001 -1.817 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.198 -11.422 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.731 -12.148 -3.102 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.977 -8.149 0.035 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.384 -7.242 1.003 1.00 0.00 C ATOM 1611 C PHE A 105 -11.970 -7.469 2.398 1.00 0.00 C ATOM 1612 O PHE A 105 -13.071 -7.999 2.534 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.718 -5.820 0.548 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.927 -5.357 -0.677 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.650 -4.914 -0.534 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.502 -5.388 -1.910 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.915 -4.484 -1.670 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.767 -4.958 -3.046 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.490 -4.515 -2.903 1.00 0.00 C ATOM 0 H PHE A 105 -12.950 -7.948 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.308 -7.409 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.783 -5.762 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.528 -5.132 1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.194 -4.889 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.517 -5.739 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.900 -4.133 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -11.223 -4.983 -4.025 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.932 -4.188 -3.768 1.00 0.00 H new ATOM 1629 N THR A 106 -11.207 -7.057 3.400 1.00 0.00 N ATOM 1630 CA THR A 106 -11.722 -6.998 4.757 1.00 0.00 C ATOM 1631 C THR A 106 -11.215 -5.740 5.465 1.00 0.00 C ATOM 1632 O THR A 106 -10.022 -5.439 5.427 1.00 0.00 O ATOM 1633 CB THR A 106 -11.330 -8.294 5.468 1.00 0.00 C ATOM 1634 OG1 THR A 106 -12.033 -9.308 4.754 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.897 -8.378 6.887 1.00 0.00 C ATOM 0 H THR A 106 -10.236 -6.761 3.299 1.00 0.00 H new ATOM 0 HA THR A 106 -12.809 -6.922 4.765 1.00 0.00 H new ATOM 0 HB THR A 106 -10.243 -8.373 5.505 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.835 -10.183 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.589 -9.317 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.521 -7.544 7.479 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.985 -8.333 6.847 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.146 -5.038 6.095 1.00 0.00 N ATOM 1644 CA ARG A 107 -11.811 -3.811 6.797 1.00 0.00 C ATOM 1645 C ARG A 107 -11.022 -4.126 8.070 1.00 0.00 C ATOM 1646 O ARG A 107 -11.358 -5.060 8.797 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.071 -3.027 7.168 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.833 -3.717 8.300 1.00 0.00 C ATOM 1649 CD ARG A 107 -15.256 -3.166 8.420 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.946 -3.791 9.570 1.00 0.00 N ATOM 1651 CZ ARG A 107 -17.198 -3.496 9.945 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -17.909 -2.594 9.256 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -17.739 -4.103 11.010 1.00 0.00 N ATOM 0 H ARG A 107 -13.132 -5.296 6.134 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.202 -3.203 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.798 -2.016 7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.716 -2.934 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -13.869 -4.791 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.303 -3.572 9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.226 -2.084 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.810 -3.363 7.502 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.437 -4.490 10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.497 -2.131 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.862 -2.370 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.198 -4.790 11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.692 -3.878 11.295 1.00 0.00 H new ATOM 1667 N ILE A 108 -9.988 -3.330 8.300 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.328 -3.317 9.594 1.00 0.00 C ATOM 1669 C ILE A 108 -9.549 -1.958 10.262 1.00 0.00 C ATOM 1670 O ILE A 108 -9.546 -1.857 11.487 1.00 0.00 O ATOM 1671 CB ILE A 108 -7.853 -3.697 9.447 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -6.948 -2.488 9.691 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.587 -4.346 8.087 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -6.902 -1.579 8.461 1.00 0.00 C ATOM 0 H ILE A 108 -9.591 -2.690 7.612 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.764 -4.070 10.251 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.614 -4.438 10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.312 -1.925 10.550 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.941 -2.827 9.935 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.531 -4.606 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.191 -5.248 7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.848 -3.647 7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.252 -0.728 8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.515 -2.138 7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.907 -1.222 8.234 1.00 0.00 H new ATOM 1686 N ARG A 109 -9.735 -0.948 9.425 1.00 0.00 N ATOM 1687 CA ARG A 109 -9.826 0.419 9.911 1.00 0.00 C ATOM 1688 C ARG A 109 -9.141 0.544 11.273 1.00 0.00 C ATOM 1689 O ARG A 109 -9.870 0.813 12.253 1.00 0.00 O ATOM 1690 CB ARG A 109 -11.285 0.861 10.039 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.130 -0.222 10.712 1.00 0.00 C ATOM 1692 CD ARG A 109 -13.573 0.249 10.905 1.00 0.00 C ATOM 1693 NE ARG A 109 -14.228 0.424 9.590 1.00 0.00 N ATOM 1694 CZ ARG A 109 -15.410 1.031 9.415 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -16.133 1.410 10.478 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -15.869 1.259 8.177 1.00 0.00 N ATOM 0 H ARG A 109 -9.825 -1.048 8.414 1.00 0.00 H new ATOM 0 HA ARG A 109 -9.325 1.063 9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.340 1.782 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.690 1.081 9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.117 -1.127 10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.695 -0.479 11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.125 -0.478 11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.587 1.190 11.455 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.750 0.060 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.784 1.237 11.420 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.033 1.872 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.319 0.971 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.769 1.721 8.044 1.00 0.00 H new TER 1710 ARG A 109