USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 150:sc= 0.241 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -177:sc= 0.253 (180deg=0) USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= 0.174 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.183 K(o=0.36,f=-3.7) USER MOD Set 2.3: A 113 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 3.1: A 105 ASN : amide:sc= 0.166 X(o=0.34,f=0) USER MOD Set 3.2: A 110 THR OG1 : rot 106:sc= 0.171 USER MOD Set 4.1: A 81 THR OG1 : rot 152:sc= 0.988 USER MOD Set 4.2: A 93 THR OG1 : rot 82:sc= 0.109 USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 30 GLN : amide:sc= 0.276 K(o=0.57,f=0) USER MOD Set 6.2: A 33 LYS NZ :NH3+ -141:sc= 0.291 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.158 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 12:sc= 0.151 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc=-0.00828 K(o=-0.0083,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 19 MET CE :methyl -112:sc= -0.0376 (180deg=-1.14) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 41:sc= 0.653 USER MOD Single : A 43 GLN : amide:sc=-0.00942 X(o=-0.0094,f=-0.045) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 19:sc= 0.0202 USER MOD Single : A 53 THR OG1 : rot -82:sc= 0.664 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= -0.0121 (180deg=-0.0129) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.00237 X(o=0.0024,f=0.22) USER MOD Single : A 69 CYS SG : rot 72:sc= 1.45 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 178:sc= -0.0658 (180deg=-0.0731) USER MOD Single : A 75 THR OG1 : rot 158:sc= 0.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 89 ASN : amide:sc= 0.0038 X(o=0.0038,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 31:sc= -0.487 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 10.821 -9.194 13.786 1.00 0.00 N ATOM 2 CA SER A 2 10.281 -9.541 15.108 1.00 0.00 C ATOM 3 C SER A 2 9.258 -8.470 15.560 1.00 0.00 C ATOM 4 O SER A 2 9.618 -7.313 15.801 1.00 0.00 O ATOM 5 CB SER A 2 11.415 -9.772 16.135 1.00 0.00 C ATOM 6 OG SER A 2 12.212 -8.609 16.344 1.00 0.00 O ATOM 0 HA SER A 2 9.746 -10.488 15.040 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.981 -10.086 17.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.052 -10.587 15.790 1.00 0.00 H new ATOM 0 HG SER A 2 11.647 -7.811 16.288 1.00 0.00 H new ATOM 12 N PHE A 3 7.984 -8.882 15.692 1.00 0.00 N ATOM 13 CA PHE A 3 6.879 -7.990 16.146 1.00 0.00 C ATOM 14 C PHE A 3 6.900 -7.557 17.642 1.00 0.00 C ATOM 15 O PHE A 3 6.453 -6.442 17.921 1.00 0.00 O ATOM 16 CB PHE A 3 5.506 -8.652 15.841 1.00 0.00 C ATOM 17 CG PHE A 3 4.985 -8.511 14.406 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.423 -7.300 13.980 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.963 -9.618 13.555 1.00 0.00 C ATOM 20 CE1 PHE A 3 3.842 -7.204 12.719 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.377 -9.520 12.298 1.00 0.00 C ATOM 22 CZ PHE A 3 3.816 -8.315 11.881 1.00 0.00 C ATOM 0 H PHE A 3 7.683 -9.836 15.490 1.00 0.00 H new ATOM 0 HA PHE A 3 7.037 -7.072 15.580 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.579 -9.714 16.075 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.764 -8.227 16.517 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.441 -6.439 14.632 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.402 -10.552 13.874 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.412 -6.269 12.391 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.357 -10.379 11.644 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.360 -8.243 10.905 1.00 0.00 H new ATOM 32 N SER A 4 7.349 -8.405 18.593 1.00 0.00 N ATOM 33 CA SER A 4 7.241 -8.109 20.045 1.00 0.00 C ATOM 34 C SER A 4 8.283 -7.037 20.479 1.00 0.00 C ATOM 35 O SER A 4 9.492 -7.293 20.466 1.00 0.00 O ATOM 36 CB SER A 4 7.383 -9.424 20.844 1.00 0.00 C ATOM 37 OG SER A 4 7.030 -9.219 22.207 1.00 0.00 O ATOM 0 H SER A 4 7.790 -9.301 18.385 1.00 0.00 H new ATOM 0 HA SER A 4 6.260 -7.684 20.258 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.744 -10.192 20.408 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.409 -9.787 20.778 1.00 0.00 H new ATOM 0 HG SER A 4 7.123 -10.061 22.699 1.00 0.00 H new ATOM 43 N GLY A 5 7.792 -5.833 20.819 1.00 0.00 N ATOM 44 CA GLY A 5 8.669 -4.687 21.119 1.00 0.00 C ATOM 45 C GLY A 5 7.921 -3.409 21.547 1.00 0.00 C ATOM 46 O GLY A 5 6.923 -3.441 22.274 1.00 0.00 O ATOM 0 H GLY A 5 6.796 -5.628 20.893 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.360 -4.972 21.912 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.270 -4.464 20.237 1.00 0.00 H new ATOM 50 N LYS A 6 8.490 -2.274 21.113 1.00 0.00 N ATOM 51 CA LYS A 6 8.049 -0.911 21.514 1.00 0.00 C ATOM 52 C LYS A 6 8.419 0.047 20.344 1.00 0.00 C ATOM 53 O LYS A 6 9.589 0.128 19.953 1.00 0.00 O ATOM 54 CB LYS A 6 8.654 -0.468 22.879 1.00 0.00 C ATOM 55 CG LYS A 6 10.198 -0.499 23.044 1.00 0.00 C ATOM 56 CD LYS A 6 10.716 -0.063 24.431 1.00 0.00 C ATOM 57 CE LYS A 6 10.456 -1.082 25.558 1.00 0.00 C ATOM 58 NZ LYS A 6 11.054 -0.640 26.830 1.00 0.00 N ATOM 0 H LYS A 6 9.279 -2.267 20.466 1.00 0.00 H new ATOM 0 HA LYS A 6 6.972 -0.892 21.683 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.319 0.550 23.077 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.224 -1.101 23.655 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.549 -1.511 22.844 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.642 0.148 22.287 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.788 0.120 24.364 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.247 0.884 24.699 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.382 -1.218 25.687 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.869 -2.051 25.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.862 -1.347 27.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.082 -0.534 26.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.641 0.273 27.109 1.00 0.00 H new ATOM 72 N TYR A 7 7.418 0.734 19.763 1.00 0.00 N ATOM 73 CA TYR A 7 7.573 1.432 18.454 1.00 0.00 C ATOM 74 C TYR A 7 7.008 2.875 18.606 1.00 0.00 C ATOM 75 O TYR A 7 5.804 3.092 18.435 1.00 0.00 O ATOM 76 CB TYR A 7 6.869 0.644 17.302 1.00 0.00 C ATOM 77 CG TYR A 7 7.295 -0.816 17.016 1.00 0.00 C ATOM 78 CD1 TYR A 7 6.839 -1.862 17.832 1.00 0.00 C ATOM 79 CD2 TYR A 7 8.072 -1.119 15.895 1.00 0.00 C ATOM 80 CE1 TYR A 7 7.188 -3.178 17.548 1.00 0.00 C ATOM 81 CE2 TYR A 7 8.386 -2.443 15.588 1.00 0.00 C ATOM 82 CZ TYR A 7 7.953 -3.470 16.423 1.00 0.00 C ATOM 83 OH TYR A 7 8.284 -4.766 16.132 1.00 0.00 O ATOM 0 H TYR A 7 6.489 0.826 20.173 1.00 0.00 H new ATOM 0 HA TYR A 7 8.627 1.484 18.180 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.800 0.638 17.514 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.009 1.213 16.383 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.214 -1.644 18.685 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.432 -0.322 15.261 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.865 -3.975 18.202 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.964 -2.671 14.705 1.00 0.00 H new ATOM 0 HH TYR A 7 7.756 -5.372 16.692 1.00 0.00 H new ATOM 93 N GLN A 8 7.871 3.866 18.924 1.00 0.00 N ATOM 94 CA GLN A 8 7.435 5.279 19.134 1.00 0.00 C ATOM 95 C GLN A 8 7.328 6.049 17.793 1.00 0.00 C ATOM 96 O GLN A 8 8.195 5.943 16.925 1.00 0.00 O ATOM 97 CB GLN A 8 8.347 6.022 20.148 1.00 0.00 C ATOM 98 CG GLN A 8 7.787 7.388 20.620 1.00 0.00 C ATOM 99 CD GLN A 8 8.470 7.961 21.869 1.00 0.00 C ATOM 100 OE1 GLN A 8 9.650 8.309 21.855 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.736 8.090 22.966 1.00 0.00 N ATOM 0 H GLN A 8 8.874 3.721 19.042 1.00 0.00 H new ATOM 0 HA GLN A 8 6.436 5.243 19.569 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.500 5.384 21.018 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.325 6.180 19.693 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.885 8.107 19.806 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.722 7.279 20.822 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.759 7.797 22.963 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.149 8.482 23.812 1.00 0.00 H new ATOM 110 N LEU A 9 6.267 6.868 17.679 1.00 0.00 N ATOM 111 CA LEU A 9 5.943 7.634 16.451 1.00 0.00 C ATOM 112 C LEU A 9 7.059 8.646 16.038 1.00 0.00 C ATOM 113 O LEU A 9 7.391 9.587 16.763 1.00 0.00 O ATOM 114 CB LEU A 9 4.559 8.313 16.664 1.00 0.00 C ATOM 115 CG LEU A 9 3.991 9.157 15.488 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.800 8.328 14.205 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.669 9.836 15.894 1.00 0.00 C ATOM 0 H LEU A 9 5.603 7.021 18.438 1.00 0.00 H new ATOM 0 HA LEU A 9 5.890 6.948 15.605 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.834 7.534 16.901 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.631 8.959 17.539 1.00 0.00 H new ATOM 0 HG LEU A 9 4.731 9.925 15.264 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.401 8.966 13.416 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.760 7.918 13.890 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.103 7.512 14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.289 10.421 15.057 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.938 9.075 16.167 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.844 10.493 16.746 1.00 0.00 H new ATOM 129 N GLN A 10 7.599 8.414 14.837 1.00 0.00 N ATOM 130 CA GLN A 10 8.573 9.308 14.166 1.00 0.00 C ATOM 131 C GLN A 10 7.863 10.415 13.325 1.00 0.00 C ATOM 132 O GLN A 10 8.140 11.598 13.548 1.00 0.00 O ATOM 133 CB GLN A 10 9.545 8.426 13.325 1.00 0.00 C ATOM 134 CG GLN A 10 10.843 9.120 12.849 1.00 0.00 C ATOM 135 CD GLN A 10 11.987 9.118 13.876 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.931 8.337 13.769 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.939 9.978 14.882 1.00 0.00 N ATOM 0 H GLN A 10 7.373 7.586 14.286 1.00 0.00 H new ATOM 0 HA GLN A 10 9.153 9.854 14.910 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.819 7.553 13.918 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.008 8.061 12.449 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.189 8.629 11.939 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.611 10.152 12.586 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.153 10.623 14.965 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.688 9.995 15.574 1.00 0.00 H new ATOM 146 N SER A 11 6.992 10.042 12.359 1.00 0.00 N ATOM 147 CA SER A 11 6.329 11.000 11.437 1.00 0.00 C ATOM 148 C SER A 11 4.907 10.485 11.072 1.00 0.00 C ATOM 149 O SER A 11 4.678 9.281 10.910 1.00 0.00 O ATOM 150 CB SER A 11 7.206 11.184 10.172 1.00 0.00 C ATOM 151 OG SER A 11 6.669 12.187 9.315 1.00 0.00 O ATOM 0 H SER A 11 6.728 9.071 12.195 1.00 0.00 H new ATOM 0 HA SER A 11 6.218 11.969 11.923 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.220 11.457 10.465 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.274 10.239 9.633 1.00 0.00 H new ATOM 0 HG SER A 11 7.242 12.284 8.526 1.00 0.00 H new ATOM 157 N GLN A 12 3.966 11.429 10.895 1.00 0.00 N ATOM 158 CA GLN A 12 2.629 11.146 10.304 1.00 0.00 C ATOM 159 C GLN A 12 2.566 11.723 8.862 1.00 0.00 C ATOM 160 O GLN A 12 2.963 12.868 8.617 1.00 0.00 O ATOM 161 CB GLN A 12 1.489 11.755 11.165 1.00 0.00 C ATOM 162 CG GLN A 12 1.159 10.973 12.455 1.00 0.00 C ATOM 163 CD GLN A 12 0.388 9.650 12.265 1.00 0.00 C ATOM 164 OE1 GLN A 12 -0.068 9.293 11.178 1.00 0.00 O ATOM 165 NE2 GLN A 12 0.186 8.911 13.342 1.00 0.00 N ATOM 0 H GLN A 12 4.101 12.407 11.153 1.00 0.00 H new ATOM 0 HA GLN A 12 2.489 10.065 10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.763 12.775 11.436 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.588 11.819 10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.093 10.755 12.973 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.575 11.620 13.109 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.564 9.207 14.242 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.348 8.045 13.273 1.00 0.00 H new ATOM 174 N GLU A 13 2.000 10.938 7.924 1.00 0.00 N ATOM 175 CA GLU A 13 1.711 11.411 6.540 1.00 0.00 C ATOM 176 C GLU A 13 0.411 12.274 6.487 1.00 0.00 C ATOM 177 O GLU A 13 0.503 13.462 6.167 1.00 0.00 O ATOM 178 CB GLU A 13 1.734 10.204 5.561 1.00 0.00 C ATOM 179 CG GLU A 13 1.577 10.558 4.066 1.00 0.00 C ATOM 180 CD GLU A 13 1.703 9.339 3.148 1.00 0.00 C ATOM 181 OE1 GLU A 13 0.798 8.475 3.153 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.713 9.233 2.417 1.00 0.00 O ATOM 0 H GLU A 13 1.730 9.969 8.093 1.00 0.00 H new ATOM 0 HA GLU A 13 2.495 12.091 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.675 9.669 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.935 9.517 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.605 11.026 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.333 11.293 3.791 1.00 0.00 H new ATOM 189 N ASN A 14 -0.768 11.690 6.790 1.00 0.00 N ATOM 190 CA ASN A 14 -2.059 12.427 6.815 1.00 0.00 C ATOM 191 C ASN A 14 -2.822 12.027 8.105 1.00 0.00 C ATOM 192 O ASN A 14 -3.782 11.254 8.051 1.00 0.00 O ATOM 193 CB ASN A 14 -2.889 12.133 5.528 1.00 0.00 C ATOM 194 CG ASN A 14 -2.418 12.787 4.212 1.00 0.00 C ATOM 195 OD1 ASN A 14 -1.758 13.826 4.188 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.792 12.207 3.083 1.00 0.00 N ATOM 0 H ASN A 14 -0.857 10.701 7.023 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.881 13.502 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.908 11.053 5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.916 12.448 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.534 12.621 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.339 11.346 3.109 1.00 0.00 H new ATOM 203 N PHE A 15 -2.427 12.603 9.259 1.00 0.00 N ATOM 204 CA PHE A 15 -3.190 12.466 10.534 1.00 0.00 C ATOM 205 C PHE A 15 -4.504 13.304 10.534 1.00 0.00 C ATOM 206 O PHE A 15 -5.573 12.729 10.744 1.00 0.00 O ATOM 207 CB PHE A 15 -2.278 12.745 11.766 1.00 0.00 C ATOM 208 CG PHE A 15 -2.901 12.421 13.140 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.706 13.360 13.794 1.00 0.00 C ATOM 210 CD2 PHE A 15 -2.705 11.168 13.728 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.326 13.036 14.995 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.311 10.852 14.941 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.124 11.787 15.574 1.00 0.00 C ATOM 0 H PHE A 15 -1.583 13.170 9.342 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.515 11.429 10.616 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.361 12.165 11.656 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.993 13.797 11.755 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.846 14.341 13.364 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.078 10.439 13.237 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.967 13.757 15.481 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.150 9.883 15.390 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.598 11.544 16.514 1.00 0.00 H new ATOM 223 N GLU A 16 -4.426 14.637 10.342 1.00 0.00 N ATOM 224 CA GLU A 16 -5.596 15.550 10.510 1.00 0.00 C ATOM 225 C GLU A 16 -6.718 15.399 9.435 1.00 0.00 C ATOM 226 O GLU A 16 -7.895 15.433 9.802 1.00 0.00 O ATOM 227 CB GLU A 16 -5.137 17.026 10.660 1.00 0.00 C ATOM 228 CG GLU A 16 -4.264 17.309 11.906 1.00 0.00 C ATOM 229 CD GLU A 16 -3.984 18.796 12.133 1.00 0.00 C ATOM 230 OE1 GLU A 16 -2.990 19.317 11.580 1.00 0.00 O ATOM 231 OE2 GLU A 16 -4.753 19.449 12.872 1.00 0.00 O ATOM 0 H GLU A 16 -3.567 15.114 10.070 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.070 15.231 11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.577 17.310 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.020 17.664 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.761 16.903 12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.316 16.781 11.803 1.00 0.00 H new ATOM 238 N ALA A 17 -6.376 15.190 8.143 1.00 0.00 N ATOM 239 CA ALA A 17 -7.359 14.802 7.094 1.00 0.00 C ATOM 240 C ALA A 17 -8.056 13.422 7.300 1.00 0.00 C ATOM 241 O ALA A 17 -9.278 13.348 7.150 1.00 0.00 O ATOM 242 CB ALA A 17 -6.672 14.865 5.715 1.00 0.00 C ATOM 0 H ALA A 17 -5.421 15.283 7.796 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.173 15.523 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.385 14.582 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.319 15.880 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.826 14.178 5.698 1.00 0.00 H new ATOM 248 N PHE A 18 -7.306 12.355 7.650 1.00 0.00 N ATOM 249 CA PHE A 18 -7.870 11.000 7.917 1.00 0.00 C ATOM 250 C PHE A 18 -8.784 10.924 9.177 1.00 0.00 C ATOM 251 O PHE A 18 -9.889 10.385 9.076 1.00 0.00 O ATOM 252 CB PHE A 18 -6.699 9.977 7.972 1.00 0.00 C ATOM 253 CG PHE A 18 -7.105 8.501 8.145 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.458 7.718 7.040 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.175 7.950 9.430 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.917 6.416 7.228 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.642 6.653 9.611 1.00 0.00 C ATOM 258 CZ PHE A 18 -8.032 5.897 8.513 1.00 0.00 C ATOM 0 H PHE A 18 -6.293 12.401 7.757 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.542 10.750 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.118 10.069 7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.040 10.252 8.796 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.375 8.123 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.865 8.534 10.284 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.184 5.809 6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.701 6.234 10.605 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.426 4.902 8.658 1.00 0.00 H new ATOM 268 N MET A 19 -8.314 11.418 10.338 1.00 0.00 N ATOM 269 CA MET A 19 -9.082 11.396 11.615 1.00 0.00 C ATOM 270 C MET A 19 -10.399 12.235 11.606 1.00 0.00 C ATOM 271 O MET A 19 -11.420 11.762 12.111 1.00 0.00 O ATOM 272 CB MET A 19 -8.167 11.804 12.798 1.00 0.00 C ATOM 273 CG MET A 19 -6.999 10.857 13.120 1.00 0.00 C ATOM 274 SD MET A 19 -7.603 9.224 13.594 1.00 0.00 S ATOM 275 CE MET A 19 -6.029 8.368 13.778 1.00 0.00 C ATOM 0 H MET A 19 -7.392 11.845 10.426 1.00 0.00 H new ATOM 0 HA MET A 19 -9.413 10.365 11.741 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.757 12.792 12.587 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.785 11.899 13.691 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.347 10.769 12.251 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.399 11.275 13.928 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.929 7.618 12.994 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.213 9.086 13.699 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.991 7.881 14.753 1.00 0.00 H new ATOM 285 N LYS A 20 -10.388 13.434 10.991 1.00 0.00 N ATOM 286 CA LYS A 20 -11.622 14.203 10.665 1.00 0.00 C ATOM 287 C LYS A 20 -12.606 13.491 9.674 1.00 0.00 C ATOM 288 O LYS A 20 -13.815 13.509 9.919 1.00 0.00 O ATOM 289 CB LYS A 20 -11.160 15.593 10.150 1.00 0.00 C ATOM 290 CG LYS A 20 -12.266 16.665 10.041 1.00 0.00 C ATOM 291 CD LYS A 20 -11.772 18.047 9.549 1.00 0.00 C ATOM 292 CE LYS A 20 -11.199 18.123 8.117 1.00 0.00 C ATOM 293 NZ LYS A 20 -12.195 17.839 7.065 1.00 0.00 N ATOM 0 H LYS A 20 -9.529 13.903 10.704 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.226 14.294 11.568 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.381 15.966 10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.706 15.464 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.038 16.305 9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.734 16.787 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.605 18.747 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.004 18.397 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.784 19.117 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.375 17.415 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.743 17.907 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.575 16.880 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.970 18.530 7.125 1.00 0.00 H new ATOM 307 N ALA A 21 -12.100 12.874 8.581 1.00 0.00 N ATOM 308 CA ALA A 21 -12.935 12.157 7.577 1.00 0.00 C ATOM 309 C ALA A 21 -13.644 10.856 8.058 1.00 0.00 C ATOM 310 O ALA A 21 -14.804 10.643 7.691 1.00 0.00 O ATOM 311 CB ALA A 21 -12.084 11.890 6.321 1.00 0.00 C ATOM 0 H ALA A 21 -11.103 12.857 8.366 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.769 12.826 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.685 11.365 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.741 12.838 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.223 11.278 6.588 1.00 0.00 H new ATOM 317 N ILE A 22 -12.990 10.015 8.890 1.00 0.00 N ATOM 318 CA ILE A 22 -13.656 8.876 9.600 1.00 0.00 C ATOM 319 C ILE A 22 -14.774 9.315 10.613 1.00 0.00 C ATOM 320 O ILE A 22 -15.830 8.676 10.644 1.00 0.00 O ATOM 321 CB ILE A 22 -12.626 7.859 10.221 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.757 8.454 11.373 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.778 7.163 9.124 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.760 7.510 12.060 1.00 0.00 C ATOM 0 H ILE A 22 -11.994 10.097 9.094 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.190 8.333 8.820 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.225 7.088 10.705 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.199 9.301 10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.430 8.847 12.135 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.079 6.469 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.436 6.616 8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.223 7.914 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.224 8.052 12.839 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.299 6.673 12.505 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.049 7.134 11.324 1.00 0.00 H new ATOM 336 N GLY A 23 -14.545 10.380 11.408 1.00 0.00 N ATOM 337 CA GLY A 23 -15.553 10.951 12.328 1.00 0.00 C ATOM 338 C GLY A 23 -15.006 11.157 13.752 1.00 0.00 C ATOM 339 O GLY A 23 -15.421 10.444 14.670 1.00 0.00 O ATOM 0 H GLY A 23 -13.651 10.871 11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.899 11.907 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.419 10.290 12.368 1.00 0.00 H new ATOM 343 N LEU A 24 -14.109 12.146 13.928 1.00 0.00 N ATOM 344 CA LEU A 24 -13.571 12.534 15.265 1.00 0.00 C ATOM 345 C LEU A 24 -13.624 14.089 15.465 1.00 0.00 C ATOM 346 O LEU A 24 -13.442 14.825 14.488 1.00 0.00 O ATOM 347 CB LEU A 24 -12.120 12.006 15.469 1.00 0.00 C ATOM 348 CG LEU A 24 -11.954 10.473 15.672 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.470 10.076 15.598 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.554 9.983 17.007 1.00 0.00 C ATOM 0 H LEU A 24 -13.733 12.701 13.159 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.207 12.070 16.019 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.527 12.300 14.603 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.693 12.512 16.335 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.506 9.991 14.865 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.374 9.000 15.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.069 10.349 14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.914 10.598 16.377 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.410 8.906 17.097 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.056 10.486 17.836 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.620 10.210 17.032 1.00 0.00 H new ATOM 362 N PRO A 25 -13.825 14.644 16.705 1.00 0.00 N ATOM 363 CA PRO A 25 -13.856 16.116 16.947 1.00 0.00 C ATOM 364 C PRO A 25 -12.461 16.812 16.877 1.00 0.00 C ATOM 365 O PRO A 25 -11.422 16.151 16.780 1.00 0.00 O ATOM 366 CB PRO A 25 -14.478 16.177 18.362 1.00 0.00 C ATOM 367 CG PRO A 25 -14.043 14.889 19.061 1.00 0.00 C ATOM 368 CD PRO A 25 -14.035 13.855 17.938 1.00 0.00 C ATOM 0 HA PRO A 25 -14.411 16.658 16.181 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.129 17.055 18.906 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.565 16.246 18.309 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.058 14.993 19.517 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.735 14.611 19.856 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.241 13.122 18.080 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.974 13.303 17.900 1.00 0.00 H new ATOM 376 N GLU A 26 -12.453 18.155 17.010 1.00 0.00 N ATOM 377 CA GLU A 26 -11.195 18.930 17.242 1.00 0.00 C ATOM 378 C GLU A 26 -10.794 18.975 18.763 1.00 0.00 C ATOM 379 O GLU A 26 -10.510 20.031 19.338 1.00 0.00 O ATOM 380 CB GLU A 26 -11.376 20.325 16.576 1.00 0.00 C ATOM 381 CG GLU A 26 -10.061 21.103 16.348 1.00 0.00 C ATOM 382 CD GLU A 26 -10.278 22.473 15.704 1.00 0.00 C ATOM 383 OE1 GLU A 26 -10.546 23.450 16.439 1.00 0.00 O ATOM 384 OE2 GLU A 26 -10.180 22.582 14.462 1.00 0.00 O ATOM 0 H GLU A 26 -13.293 18.731 16.963 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.342 18.436 16.776 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.876 20.193 15.616 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.036 20.928 17.199 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.553 21.234 17.303 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.401 20.511 15.714 1.00 0.00 H new ATOM 391 N GLU A 27 -10.743 17.783 19.383 1.00 0.00 N ATOM 392 CA GLU A 27 -10.312 17.560 20.784 1.00 0.00 C ATOM 393 C GLU A 27 -9.430 16.271 20.805 1.00 0.00 C ATOM 394 O GLU A 27 -8.239 16.367 21.107 1.00 0.00 O ATOM 395 CB GLU A 27 -11.559 17.521 21.712 1.00 0.00 C ATOM 396 CG GLU A 27 -11.228 17.372 23.210 1.00 0.00 C ATOM 397 CD GLU A 27 -12.478 17.305 24.089 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.049 16.203 24.244 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.897 18.353 24.628 1.00 0.00 O ATOM 0 H GLU A 27 -11.008 16.918 18.912 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.699 18.373 21.173 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.134 18.436 21.568 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.198 16.692 21.408 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.636 16.469 23.359 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.611 18.213 23.527 1.00 0.00 H new ATOM 406 N LEU A 28 -9.997 15.092 20.454 1.00 0.00 N ATOM 407 CA LEU A 28 -9.228 13.827 20.249 1.00 0.00 C ATOM 408 C LEU A 28 -8.161 13.854 19.102 1.00 0.00 C ATOM 409 O LEU A 28 -7.099 13.247 19.267 1.00 0.00 O ATOM 410 CB LEU A 28 -10.213 12.636 20.057 1.00 0.00 C ATOM 411 CG LEU A 28 -11.185 12.307 21.231 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.206 11.231 20.813 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.458 11.871 22.520 1.00 0.00 C ATOM 0 H LEU A 28 -11.000 14.984 20.303 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.639 13.702 21.157 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.814 12.836 19.170 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.624 11.743 19.848 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.707 13.237 21.459 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.873 11.018 21.648 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.789 11.592 19.966 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.679 10.320 20.529 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.192 11.657 23.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.869 10.976 22.321 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.799 12.672 22.854 1.00 0.00 H new ATOM 425 N ILE A 29 -8.408 14.582 17.987 1.00 0.00 N ATOM 426 CA ILE A 29 -7.366 14.919 16.960 1.00 0.00 C ATOM 427 C ILE A 29 -6.144 15.710 17.559 1.00 0.00 C ATOM 428 O ILE A 29 -5.001 15.406 17.209 1.00 0.00 O ATOM 429 CB ILE A 29 -8.007 15.648 15.712 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.117 14.805 15.009 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.955 16.074 14.646 1.00 0.00 C ATOM 432 CD1 ILE A 29 -9.986 15.544 13.976 1.00 0.00 C ATOM 0 H ILE A 29 -9.330 14.956 17.765 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.953 13.974 16.608 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.462 16.543 16.137 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.641 13.959 14.513 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.773 14.396 15.777 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.458 16.569 13.815 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.238 16.760 15.096 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.431 15.191 14.279 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.719 14.854 13.557 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.502 16.372 14.461 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.353 15.929 13.177 1.00 0.00 H new ATOM 444 N GLN A 30 -6.371 16.714 18.428 1.00 0.00 N ATOM 445 CA GLN A 30 -5.289 17.597 18.957 1.00 0.00 C ATOM 446 C GLN A 30 -4.191 16.937 19.851 1.00 0.00 C ATOM 447 O GLN A 30 -3.084 17.480 19.925 1.00 0.00 O ATOM 448 CB GLN A 30 -5.898 18.829 19.692 1.00 0.00 C ATOM 449 CG GLN A 30 -7.010 19.642 18.983 1.00 0.00 C ATOM 450 CD GLN A 30 -6.591 20.367 17.695 1.00 0.00 C ATOM 451 OE1 GLN A 30 -6.175 21.525 17.729 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.709 19.725 16.542 1.00 0.00 N ATOM 0 H GLN A 30 -7.298 16.943 18.787 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.750 17.889 18.056 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.299 18.481 20.644 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.082 19.514 19.921 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.832 18.967 18.746 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.396 20.382 19.684 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.055 18.766 16.526 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.454 20.190 15.671 1.00 0.00 H new ATOM 461 N LYS A 31 -4.461 15.775 20.484 1.00 0.00 N ATOM 462 CA LYS A 31 -3.430 14.968 21.190 1.00 0.00 C ATOM 463 C LYS A 31 -2.344 14.399 20.228 1.00 0.00 C ATOM 464 O LYS A 31 -1.164 14.696 20.429 1.00 0.00 O ATOM 465 CB LYS A 31 -4.076 13.830 22.034 1.00 0.00 C ATOM 466 CG LYS A 31 -4.809 14.229 23.335 1.00 0.00 C ATOM 467 CD LYS A 31 -6.181 14.914 23.148 1.00 0.00 C ATOM 468 CE LYS A 31 -7.009 15.091 24.434 1.00 0.00 C ATOM 469 NZ LYS A 31 -7.589 13.826 24.927 1.00 0.00 N ATOM 0 H LYS A 31 -5.395 15.367 20.523 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.922 15.652 21.870 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.786 13.302 21.397 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.292 13.119 22.295 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.950 13.333 23.940 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.164 14.899 23.903 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.021 15.895 22.701 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.766 14.331 22.436 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.376 15.521 25.210 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.812 15.804 24.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.134 14.009 25.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.217 13.426 24.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.825 13.151 25.135 1.00 0.00 H new ATOM 483 N GLY A 32 -2.724 13.607 19.205 1.00 0.00 N ATOM 484 CA GLY A 32 -1.740 12.960 18.300 1.00 0.00 C ATOM 485 C GLY A 32 -1.389 13.631 16.955 1.00 0.00 C ATOM 486 O GLY A 32 -0.746 12.970 16.134 1.00 0.00 O ATOM 0 H GLY A 32 -3.697 13.398 18.982 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.811 12.842 18.858 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.109 11.958 18.079 1.00 0.00 H new ATOM 490 N LYS A 33 -1.742 14.912 16.726 1.00 0.00 N ATOM 491 CA LYS A 33 -1.247 15.690 15.556 1.00 0.00 C ATOM 492 C LYS A 33 0.290 15.991 15.591 1.00 0.00 C ATOM 493 O LYS A 33 0.976 15.757 14.594 1.00 0.00 O ATOM 494 CB LYS A 33 -2.131 16.937 15.280 1.00 0.00 C ATOM 495 CG LYS A 33 -2.149 18.052 16.352 1.00 0.00 C ATOM 496 CD LYS A 33 -2.874 19.326 15.886 1.00 0.00 C ATOM 497 CE LYS A 33 -2.792 20.458 16.925 1.00 0.00 C ATOM 498 NZ LYS A 33 -3.364 21.708 16.396 1.00 0.00 N ATOM 0 H LYS A 33 -2.370 15.437 17.334 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.357 15.039 14.689 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.803 17.380 14.340 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.156 16.597 15.132 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.634 17.674 17.252 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.124 18.303 16.623 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.439 19.666 14.946 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.920 19.094 15.687 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.325 20.165 17.829 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.752 20.622 17.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.787 22.514 16.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.373 21.673 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.336 21.821 16.747 1.00 0.00 H new ATOM 512 N ASP A 34 0.803 16.482 16.738 1.00 0.00 N ATOM 513 CA ASP A 34 2.249 16.768 16.961 1.00 0.00 C ATOM 514 C ASP A 34 2.924 15.826 18.010 1.00 0.00 C ATOM 515 O ASP A 34 4.123 15.564 17.872 1.00 0.00 O ATOM 516 CB ASP A 34 2.446 18.251 17.392 1.00 0.00 C ATOM 517 CG ASP A 34 2.071 19.307 16.339 1.00 0.00 C ATOM 518 OD1 ASP A 34 2.825 19.474 15.355 1.00 0.00 O ATOM 519 OD2 ASP A 34 1.022 19.969 16.492 1.00 0.00 O ATOM 0 H ASP A 34 0.224 16.696 17.550 1.00 0.00 H new ATOM 0 HA ASP A 34 2.741 16.579 16.007 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.852 18.432 18.288 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.491 18.394 17.667 1.00 0.00 H new ATOM 524 N ILE A 35 2.208 15.347 19.058 1.00 0.00 N ATOM 525 CA ILE A 35 2.812 14.594 20.197 1.00 0.00 C ATOM 526 C ILE A 35 3.024 13.110 19.751 1.00 0.00 C ATOM 527 O ILE A 35 2.115 12.467 19.210 1.00 0.00 O ATOM 528 CB ILE A 35 1.961 14.702 21.523 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.488 16.148 21.881 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.712 14.083 22.734 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.464 16.277 23.024 1.00 0.00 C ATOM 0 H ILE A 35 1.199 15.469 19.142 1.00 0.00 H new ATOM 0 HA ILE A 35 3.774 15.042 20.445 1.00 0.00 H new ATOM 0 HB ILE A 35 1.059 14.128 21.311 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.366 16.738 22.142 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.057 16.597 20.986 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.097 14.175 23.629 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.912 13.030 22.538 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.654 14.610 22.886 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.217 17.328 23.174 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.440 15.725 22.767 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.889 15.869 23.941 1.00 0.00 H new ATOM 543 N LYS A 36 4.235 12.585 20.011 1.00 0.00 N ATOM 544 CA LYS A 36 4.588 11.168 19.728 1.00 0.00 C ATOM 545 C LYS A 36 4.242 10.220 20.916 1.00 0.00 C ATOM 546 O LYS A 36 4.425 10.573 22.086 1.00 0.00 O ATOM 547 CB LYS A 36 6.073 11.049 19.287 1.00 0.00 C ATOM 548 CG LYS A 36 7.179 11.480 20.280 1.00 0.00 C ATOM 549 CD LYS A 36 8.597 11.290 19.705 1.00 0.00 C ATOM 550 CE LYS A 36 9.701 11.706 20.693 1.00 0.00 C ATOM 551 NZ LYS A 36 11.042 11.470 20.129 1.00 0.00 N ATOM 0 H LYS A 36 4.999 13.122 20.421 1.00 0.00 H new ATOM 0 HA LYS A 36 3.969 10.834 18.895 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.256 10.008 19.019 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.196 11.638 18.378 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.036 12.527 20.546 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.083 10.902 21.199 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.736 10.244 19.431 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.695 11.875 18.790 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.590 12.761 20.942 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.591 11.146 21.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.765 11.760 20.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.155 10.459 19.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.154 12.024 19.256 1.00 0.00 H new ATOM 565 N GLY A 37 3.778 9.004 20.583 1.00 0.00 N ATOM 566 CA GLY A 37 3.526 7.938 21.580 1.00 0.00 C ATOM 567 C GLY A 37 3.829 6.519 21.049 1.00 0.00 C ATOM 568 O GLY A 37 4.054 6.290 19.856 1.00 0.00 O ATOM 0 H GLY A 37 3.567 8.729 19.624 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.136 8.125 22.464 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.484 7.985 21.896 1.00 0.00 H new ATOM 572 N VAL A 38 3.846 5.558 21.988 1.00 0.00 N ATOM 573 CA VAL A 38 4.374 4.187 21.748 1.00 0.00 C ATOM 574 C VAL A 38 3.210 3.244 21.313 1.00 0.00 C ATOM 575 O VAL A 38 2.301 2.953 22.098 1.00 0.00 O ATOM 576 CB VAL A 38 5.160 3.657 23.002 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.786 2.258 22.782 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.304 4.598 23.457 1.00 0.00 C ATOM 0 H VAL A 38 3.497 5.700 22.936 1.00 0.00 H new ATOM 0 HA VAL A 38 5.096 4.212 20.931 1.00 0.00 H new ATOM 0 HB VAL A 38 4.392 3.608 23.774 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.314 1.950 23.684 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.999 1.538 22.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.487 2.300 21.948 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.803 4.170 24.326 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.023 4.714 22.646 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.891 5.572 23.719 1.00 0.00 H new ATOM 588 N SER A 39 3.316 2.702 20.083 1.00 0.00 N ATOM 589 CA SER A 39 2.536 1.512 19.657 1.00 0.00 C ATOM 590 C SER A 39 3.257 0.239 20.179 1.00 0.00 C ATOM 591 O SER A 39 4.307 -0.149 19.656 1.00 0.00 O ATOM 592 CB SER A 39 2.385 1.497 18.119 1.00 0.00 C ATOM 593 OG SER A 39 1.603 0.388 17.694 1.00 0.00 O ATOM 0 H SER A 39 3.936 3.068 19.361 1.00 0.00 H new ATOM 0 HA SER A 39 1.531 1.544 20.077 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.918 2.424 17.787 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.370 1.452 17.654 1.00 0.00 H new ATOM 0 HG SER A 39 0.849 0.265 18.308 1.00 0.00 H new ATOM 599 N GLU A 40 2.704 -0.362 21.247 1.00 0.00 N ATOM 600 CA GLU A 40 3.402 -1.425 22.018 1.00 0.00 C ATOM 601 C GLU A 40 2.805 -2.804 21.640 1.00 0.00 C ATOM 602 O GLU A 40 1.776 -3.218 22.183 1.00 0.00 O ATOM 603 CB GLU A 40 3.310 -1.110 23.537 1.00 0.00 C ATOM 604 CG GLU A 40 4.252 -1.971 24.425 1.00 0.00 C ATOM 605 CD GLU A 40 5.327 -1.215 25.219 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.063 -0.101 25.726 1.00 0.00 O ATOM 607 OE2 GLU A 40 6.444 -1.757 25.364 1.00 0.00 O ATOM 0 H GLU A 40 1.775 -0.135 21.602 1.00 0.00 H new ATOM 0 HA GLU A 40 4.463 -1.457 21.768 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.544 -0.057 23.693 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.282 -1.260 23.866 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.638 -2.531 25.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.750 -2.701 23.786 1.00 0.00 H new ATOM 614 N ILE A 41 3.479 -3.504 20.710 1.00 0.00 N ATOM 615 CA ILE A 41 3.031 -4.832 20.197 1.00 0.00 C ATOM 616 C ILE A 41 3.654 -5.928 21.115 1.00 0.00 C ATOM 617 O ILE A 41 4.848 -5.896 21.424 1.00 0.00 O ATOM 618 CB ILE A 41 3.382 -4.988 18.672 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.684 -3.925 17.769 1.00 0.00 C ATOM 620 CG2 ILE A 41 3.048 -6.402 18.128 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.365 -3.666 16.422 1.00 0.00 C ATOM 0 H ILE A 41 4.347 -3.175 20.288 1.00 0.00 H new ATOM 0 HA ILE A 41 1.947 -4.935 20.241 1.00 0.00 H new ATOM 0 HB ILE A 41 4.459 -4.829 18.623 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.659 -4.246 17.584 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.630 -2.985 18.318 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.309 -6.456 17.071 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.617 -7.149 18.682 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.982 -6.596 18.249 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.804 -2.912 15.870 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.381 -3.310 16.591 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.395 -4.591 15.846 1.00 0.00 H new ATOM 633 N VAL A 42 2.823 -6.902 21.527 1.00 0.00 N ATOM 634 CA VAL A 42 3.270 -8.069 22.338 1.00 0.00 C ATOM 635 C VAL A 42 2.809 -9.323 21.539 1.00 0.00 C ATOM 636 O VAL A 42 1.705 -9.839 21.746 1.00 0.00 O ATOM 637 CB VAL A 42 2.745 -8.000 23.817 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.184 -9.219 24.666 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.178 -6.720 24.572 1.00 0.00 C ATOM 0 H VAL A 42 1.826 -6.911 21.313 1.00 0.00 H new ATOM 0 HA VAL A 42 4.351 -8.094 22.473 1.00 0.00 H new ATOM 0 HB VAL A 42 1.661 -7.995 23.703 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.793 -9.117 25.678 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.796 -10.134 24.217 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.272 -9.265 24.701 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.779 -6.743 25.586 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.266 -6.672 24.612 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.795 -5.843 24.051 1.00 0.00 H new ATOM 649 N GLN A 43 3.681 -9.805 20.631 1.00 0.00 N ATOM 650 CA GLN A 43 3.414 -11.009 19.806 1.00 0.00 C ATOM 651 C GLN A 43 3.969 -12.249 20.555 1.00 0.00 C ATOM 652 O GLN A 43 5.185 -12.405 20.714 1.00 0.00 O ATOM 653 CB GLN A 43 4.037 -10.788 18.403 1.00 0.00 C ATOM 654 CG GLN A 43 3.682 -11.830 17.315 1.00 0.00 C ATOM 655 CD GLN A 43 4.475 -13.146 17.343 1.00 0.00 C ATOM 656 OE1 GLN A 43 4.002 -14.164 17.844 1.00 0.00 O ATOM 657 NE2 GLN A 43 5.682 -13.160 16.793 1.00 0.00 N ATOM 0 H GLN A 43 4.588 -9.376 20.446 1.00 0.00 H new ATOM 0 HA GLN A 43 2.349 -11.184 19.654 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.731 -9.805 18.046 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.121 -10.765 18.512 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.622 -12.068 17.403 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.824 -11.366 16.339 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.064 -12.309 16.380 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.228 -14.022 16.783 1.00 0.00 H new ATOM 666 N ASN A 44 3.052 -13.117 21.010 1.00 0.00 N ATOM 667 CA ASN A 44 3.394 -14.326 21.806 1.00 0.00 C ATOM 668 C ASN A 44 3.698 -15.524 20.862 1.00 0.00 C ATOM 669 O ASN A 44 4.865 -15.886 20.691 1.00 0.00 O ATOM 670 CB ASN A 44 2.297 -14.598 22.878 1.00 0.00 C ATOM 671 CG ASN A 44 2.215 -13.555 24.014 1.00 0.00 C ATOM 672 OD1 ASN A 44 3.098 -13.473 24.866 1.00 0.00 O ATOM 673 ND2 ASN A 44 1.168 -12.747 24.050 1.00 0.00 N ATOM 0 H ASN A 44 2.052 -13.009 20.842 1.00 0.00 H new ATOM 0 HA ASN A 44 4.312 -14.162 22.370 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.329 -14.646 22.380 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.478 -15.578 23.319 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.088 -12.048 24.789 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.441 -12.823 23.339 1.00 0.00 H new ATOM 680 N GLY A 45 2.660 -16.092 20.232 1.00 0.00 N ATOM 681 CA GLY A 45 2.815 -17.107 19.171 1.00 0.00 C ATOM 682 C GLY A 45 1.445 -17.281 18.506 1.00 0.00 C ATOM 683 O GLY A 45 0.615 -18.041 19.014 1.00 0.00 O ATOM 0 H GLY A 45 1.688 -15.863 20.441 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.559 -16.790 18.441 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.162 -18.052 19.590 1.00 0.00 H new ATOM 687 N LYS A 46 1.193 -16.513 17.425 1.00 0.00 N ATOM 688 CA LYS A 46 -0.162 -16.272 16.858 1.00 0.00 C ATOM 689 C LYS A 46 -1.032 -15.236 17.636 1.00 0.00 C ATOM 690 O LYS A 46 -1.687 -14.423 16.977 1.00 0.00 O ATOM 691 CB LYS A 46 -0.972 -17.529 16.442 1.00 0.00 C ATOM 692 CG LYS A 46 -0.265 -18.454 15.426 1.00 0.00 C ATOM 693 CD LYS A 46 -1.159 -19.592 14.901 1.00 0.00 C ATOM 694 CE LYS A 46 -0.428 -20.455 13.857 1.00 0.00 C ATOM 695 NZ LYS A 46 -1.291 -21.524 13.323 1.00 0.00 N ATOM 0 H LYS A 46 1.932 -16.034 16.910 1.00 0.00 H new ATOM 0 HA LYS A 46 0.099 -15.796 15.913 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.203 -18.107 17.337 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.922 -17.206 16.017 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.080 -17.856 14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.620 -18.885 15.895 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.476 -20.219 15.734 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.061 -19.171 14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.086 -19.822 13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.459 -20.897 14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.760 -22.082 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.597 -22.144 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.126 -21.102 12.868 1.00 0.00 H new ATOM 709 N HIS A 47 -1.075 -15.256 18.989 1.00 0.00 N ATOM 710 CA HIS A 47 -1.935 -14.345 19.787 1.00 0.00 C ATOM 711 C HIS A 47 -1.188 -13.003 20.044 1.00 0.00 C ATOM 712 O HIS A 47 -0.266 -12.913 20.861 1.00 0.00 O ATOM 713 CB HIS A 47 -2.400 -15.045 21.099 1.00 0.00 C ATOM 714 CG HIS A 47 -3.674 -14.506 21.779 1.00 0.00 C ATOM 715 ND1 HIS A 47 -4.440 -15.276 22.635 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.269 -13.230 21.650 1.00 0.00 C ATOM 717 CE1 HIS A 47 -5.435 -14.386 22.941 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.430 -13.126 22.401 1.00 0.00 N ATOM 0 H HIS A 47 -0.520 -15.898 19.556 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.840 -14.106 19.228 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.557 -16.101 20.880 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.584 -14.987 21.819 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.868 -12.433 21.041 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.229 -14.679 23.612 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.081 -12.349 22.516 1.00 0.00 H new ATOM 726 N PHE A 48 -1.643 -11.970 19.323 1.00 0.00 N ATOM 727 CA PHE A 48 -1.157 -10.572 19.468 1.00 0.00 C ATOM 728 C PHE A 48 -1.963 -9.802 20.557 1.00 0.00 C ATOM 729 O PHE A 48 -3.183 -9.958 20.687 1.00 0.00 O ATOM 730 CB PHE A 48 -1.319 -9.833 18.108 1.00 0.00 C ATOM 731 CG PHE A 48 -0.264 -10.131 17.026 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.325 -11.306 16.268 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.688 -9.159 16.702 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.552 -11.504 15.205 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.553 -9.352 15.631 1.00 0.00 C ATOM 736 CZ PHE A 48 1.484 -10.523 14.882 1.00 0.00 C ATOM 0 H PHE A 48 -2.367 -12.072 18.612 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.110 -10.604 19.769 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.300 -10.079 17.702 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.314 -8.760 18.301 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.056 -12.063 16.509 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.751 -8.253 17.287 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.509 -12.418 14.632 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.279 -8.593 15.380 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.155 -10.670 14.049 1.00 0.00 H new ATOM 746 N LYS A 49 -1.265 -8.911 21.285 1.00 0.00 N ATOM 747 CA LYS A 49 -1.907 -7.894 22.161 1.00 0.00 C ATOM 748 C LYS A 49 -1.151 -6.565 21.880 1.00 0.00 C ATOM 749 O LYS A 49 -0.060 -6.346 22.416 1.00 0.00 O ATOM 750 CB LYS A 49 -1.860 -8.336 23.657 1.00 0.00 C ATOM 751 CG LYS A 49 -2.881 -7.683 24.625 1.00 0.00 C ATOM 752 CD LYS A 49 -2.918 -6.142 24.738 1.00 0.00 C ATOM 753 CE LYS A 49 -1.659 -5.514 25.366 1.00 0.00 C ATOM 754 NZ LYS A 49 -1.706 -4.043 25.310 1.00 0.00 N ATOM 0 H LYS A 49 -0.246 -8.869 21.288 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.969 -7.769 21.949 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.003 -9.416 23.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.858 -8.134 24.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.876 -8.016 24.330 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.694 -8.083 25.622 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.060 -5.721 23.743 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.786 -5.855 25.332 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.568 -5.837 26.403 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.773 -5.871 24.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.844 -3.651 25.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.768 -3.735 24.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.539 -3.702 25.831 1.00 0.00 H new ATOM 768 N PHE A 50 -1.734 -5.690 21.038 1.00 0.00 N ATOM 769 CA PHE A 50 -1.122 -4.379 20.675 1.00 0.00 C ATOM 770 C PHE A 50 -1.873 -3.162 21.296 1.00 0.00 C ATOM 771 O PHE A 50 -2.951 -3.290 21.881 1.00 0.00 O ATOM 772 CB PHE A 50 -0.888 -4.304 19.134 1.00 0.00 C ATOM 773 CG PHE A 50 -2.059 -3.902 18.212 1.00 0.00 C ATOM 774 CD1 PHE A 50 -3.094 -4.802 17.937 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.075 -2.635 17.611 1.00 0.00 C ATOM 776 CE1 PHE A 50 -4.122 -4.445 17.066 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.108 -2.284 16.745 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.127 -3.189 16.469 1.00 0.00 C ATOM 0 H PHE A 50 -2.634 -5.861 20.589 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.136 -4.312 21.135 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.076 -3.598 18.960 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.535 -5.282 18.808 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.097 -5.777 18.401 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.284 -1.930 17.820 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.916 -5.145 16.854 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.118 -1.306 16.287 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.922 -2.916 15.791 1.00 0.00 H new ATOM 788 N THR A 51 -1.287 -1.960 21.145 1.00 0.00 N ATOM 789 CA THR A 51 -1.992 -0.674 21.400 1.00 0.00 C ATOM 790 C THR A 51 -1.579 0.388 20.333 1.00 0.00 C ATOM 791 O THR A 51 -0.530 0.286 19.692 1.00 0.00 O ATOM 792 CB THR A 51 -1.812 -0.230 22.886 1.00 0.00 C ATOM 793 OG1 THR A 51 -2.785 0.759 23.210 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.440 0.306 23.302 1.00 0.00 C ATOM 0 H THR A 51 -0.319 -1.845 20.845 1.00 0.00 H new ATOM 0 HA THR A 51 -3.068 -0.801 21.278 1.00 0.00 H new ATOM 0 HB THR A 51 -1.932 -1.161 23.440 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.518 0.722 22.561 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.460 0.576 24.358 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.316 -0.462 23.138 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.198 1.187 22.707 1.00 0.00 H new ATOM 802 N ILE A 52 -2.419 1.428 20.172 1.00 0.00 N ATOM 803 CA ILE A 52 -2.073 2.649 19.391 1.00 0.00 C ATOM 804 C ILE A 52 -2.282 3.815 20.398 1.00 0.00 C ATOM 805 O ILE A 52 -3.424 4.217 20.652 1.00 0.00 O ATOM 806 CB ILE A 52 -2.948 2.817 18.092 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.910 1.624 17.091 1.00 0.00 C ATOM 808 CG2 ILE A 52 -2.688 4.150 17.340 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.562 1.322 16.411 1.00 0.00 C ATOM 0 H ILE A 52 -3.356 1.454 20.575 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.054 2.608 19.007 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.958 2.836 18.501 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.230 0.727 17.621 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.648 1.813 16.311 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.324 4.199 16.456 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.915 4.989 17.998 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.642 4.199 17.038 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.675 0.470 15.741 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.240 2.193 15.840 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.815 1.090 17.170 1.00 0.00 H new ATOM 821 N THR A 53 -1.181 4.378 20.926 1.00 0.00 N ATOM 822 CA THR A 53 -1.239 5.615 21.754 1.00 0.00 C ATOM 823 C THR A 53 -0.830 6.799 20.833 1.00 0.00 C ATOM 824 O THR A 53 0.361 7.058 20.631 1.00 0.00 O ATOM 825 CB THR A 53 -0.418 5.523 23.075 1.00 0.00 C ATOM 826 OG1 THR A 53 0.973 5.410 22.818 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.819 4.366 24.008 1.00 0.00 C ATOM 0 H THR A 53 -0.240 4.005 20.800 1.00 0.00 H new ATOM 0 HA THR A 53 -2.253 5.772 22.121 1.00 0.00 H new ATOM 0 HB THR A 53 -0.651 6.457 23.586 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.193 4.478 22.611 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.193 4.384 24.900 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.864 4.477 24.296 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.684 3.417 23.489 1.00 0.00 H new ATOM 835 N ALA A 54 -1.830 7.494 20.255 1.00 0.00 N ATOM 836 CA ALA A 54 -1.590 8.650 19.354 1.00 0.00 C ATOM 837 C ALA A 54 -1.468 9.944 20.198 1.00 0.00 C ATOM 838 O ALA A 54 -2.472 10.559 20.575 1.00 0.00 O ATOM 839 CB ALA A 54 -2.720 8.717 18.310 1.00 0.00 C ATOM 0 H ALA A 54 -2.817 7.277 20.394 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.652 8.535 18.810 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.551 9.564 17.645 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.733 7.795 17.728 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.677 8.840 18.817 1.00 0.00 H new ATOM 845 N GLY A 55 -0.215 10.298 20.551 1.00 0.00 N ATOM 846 CA GLY A 55 0.066 11.324 21.581 1.00 0.00 C ATOM 847 C GLY A 55 -0.186 10.784 22.999 1.00 0.00 C ATOM 848 O GLY A 55 0.607 9.992 23.515 1.00 0.00 O ATOM 0 H GLY A 55 0.622 9.888 20.137 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.101 11.653 21.495 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.562 12.198 21.406 1.00 0.00 H new ATOM 852 N SER A 56 -1.336 11.175 23.571 1.00 0.00 N ATOM 853 CA SER A 56 -1.950 10.450 24.711 1.00 0.00 C ATOM 854 C SER A 56 -3.440 10.190 24.356 1.00 0.00 C ATOM 855 O SER A 56 -4.336 10.928 24.779 1.00 0.00 O ATOM 856 CB SER A 56 -1.744 11.255 26.013 1.00 0.00 C ATOM 857 OG SER A 56 -2.235 10.528 27.134 1.00 0.00 O ATOM 0 H SER A 56 -1.866 11.991 23.266 1.00 0.00 H new ATOM 0 HA SER A 56 -1.477 9.484 24.887 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.685 11.472 26.149 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.259 12.213 25.940 1.00 0.00 H new ATOM 0 HG SER A 56 -2.095 11.052 27.950 1.00 0.00 H new ATOM 863 N LYS A 57 -3.691 9.130 23.560 1.00 0.00 N ATOM 864 CA LYS A 57 -5.065 8.722 23.166 1.00 0.00 C ATOM 865 C LYS A 57 -5.015 7.184 22.976 1.00 0.00 C ATOM 866 O LYS A 57 -4.654 6.689 21.902 1.00 0.00 O ATOM 867 CB LYS A 57 -5.544 9.521 21.914 1.00 0.00 C ATOM 868 CG LYS A 57 -7.069 9.554 21.655 1.00 0.00 C ATOM 869 CD LYS A 57 -7.676 8.277 21.036 1.00 0.00 C ATOM 870 CE LYS A 57 -9.168 8.446 20.689 1.00 0.00 C ATOM 871 NZ LYS A 57 -9.724 7.249 20.036 1.00 0.00 N ATOM 0 H LYS A 57 -2.958 8.535 23.173 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.812 8.958 23.924 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.193 10.548 22.010 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.058 9.099 21.034 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.574 9.752 22.600 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.288 10.394 20.995 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.123 8.015 20.134 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.559 7.447 21.733 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.730 8.656 21.599 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.292 9.307 20.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.080 7.502 19.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.981 6.527 19.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.504 6.871 20.610 1.00 0.00 H new ATOM 885 N VAL A 58 -5.349 6.437 24.046 1.00 0.00 N ATOM 886 CA VAL A 58 -5.048 4.980 24.150 1.00 0.00 C ATOM 887 C VAL A 58 -6.173 4.175 23.433 1.00 0.00 C ATOM 888 O VAL A 58 -7.349 4.255 23.805 1.00 0.00 O ATOM 889 CB VAL A 58 -4.856 4.536 25.647 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.448 3.046 25.787 1.00 0.00 C ATOM 891 CG2 VAL A 58 -3.831 5.377 26.452 1.00 0.00 C ATOM 0 H VAL A 58 -5.832 6.815 24.861 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.101 4.770 23.652 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.846 4.704 26.070 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.330 2.799 26.842 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.222 2.414 25.350 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.505 2.877 25.267 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.768 4.996 27.471 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.852 5.309 25.978 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.152 6.418 26.474 1.00 0.00 H new ATOM 901 N ILE A 59 -5.769 3.390 22.420 1.00 0.00 N ATOM 902 CA ILE A 59 -6.682 2.502 21.653 1.00 0.00 C ATOM 903 C ILE A 59 -6.083 1.071 21.830 1.00 0.00 C ATOM 904 O ILE A 59 -5.258 0.628 21.024 1.00 0.00 O ATOM 905 CB ILE A 59 -6.822 2.960 20.156 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.297 4.434 19.965 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.767 2.006 19.388 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.089 5.009 18.555 1.00 0.00 C ATOM 0 H ILE A 59 -4.800 3.348 22.103 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.709 2.533 22.018 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.812 2.915 19.748 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.357 4.492 20.211 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.768 5.065 20.679 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.854 2.336 18.353 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.362 0.994 19.414 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.752 2.015 19.856 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.450 6.037 18.524 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.028 4.990 18.307 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.641 4.409 17.832 1.00 0.00 H new ATOM 920 N GLN A 60 -6.498 0.365 22.899 1.00 0.00 N ATOM 921 CA GLN A 60 -5.863 -0.912 23.319 1.00 0.00 C ATOM 922 C GLN A 60 -6.632 -2.116 22.700 1.00 0.00 C ATOM 923 O GLN A 60 -7.817 -2.326 22.979 1.00 0.00 O ATOM 924 CB GLN A 60 -5.760 -0.991 24.872 1.00 0.00 C ATOM 925 CG GLN A 60 -4.415 -1.575 25.360 1.00 0.00 C ATOM 926 CD GLN A 60 -4.385 -1.922 26.857 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.041 -2.859 27.311 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.610 -1.194 27.648 1.00 0.00 N ATOM 0 H GLN A 60 -7.274 0.654 23.494 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.842 -0.954 22.941 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.889 0.007 25.290 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.576 -1.605 25.254 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.192 -2.474 24.786 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.622 -0.857 25.149 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.071 -0.420 27.261 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.553 -1.408 28.644 1.00 0.00 H new ATOM 937 N ASN A 61 -5.936 -2.862 21.828 1.00 0.00 N ATOM 938 CA ASN A 61 -6.553 -3.876 20.925 1.00 0.00 C ATOM 939 C ASN A 61 -5.882 -5.274 21.093 1.00 0.00 C ATOM 940 O ASN A 61 -4.771 -5.399 21.618 1.00 0.00 O ATOM 941 CB ASN A 61 -6.409 -3.356 19.465 1.00 0.00 C ATOM 942 CG ASN A 61 -7.269 -2.140 19.066 1.00 0.00 C ATOM 943 OD1 ASN A 61 -8.048 -1.598 19.849 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.132 -1.675 17.835 1.00 0.00 N ATOM 0 H ASN A 61 -4.924 -2.787 21.720 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.605 -4.008 21.178 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.363 -3.100 19.298 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.648 -4.176 18.788 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.673 -0.865 17.533 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.485 -2.127 17.188 1.00 0.00 H new ATOM 951 N GLU A 62 -6.568 -6.343 20.634 1.00 0.00 N ATOM 952 CA GLU A 62 -6.020 -7.727 20.668 1.00 0.00 C ATOM 953 C GLU A 62 -6.715 -8.624 19.607 1.00 0.00 C ATOM 954 O GLU A 62 -7.923 -8.530 19.362 1.00 0.00 O ATOM 955 CB GLU A 62 -6.019 -8.369 22.086 1.00 0.00 C ATOM 956 CG GLU A 62 -7.380 -8.575 22.786 1.00 0.00 C ATOM 957 CD GLU A 62 -7.217 -9.202 24.172 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.039 -8.452 25.158 1.00 0.00 O ATOM 959 OE2 GLU A 62 -7.255 -10.448 24.281 1.00 0.00 O ATOM 0 H GLU A 62 -7.504 -6.279 20.234 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.966 -7.649 20.403 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.530 -9.340 22.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.400 -7.748 22.734 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.890 -7.616 22.879 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.012 -9.214 22.170 1.00 0.00 H new ATOM 966 N PHE A 63 -5.912 -9.510 18.997 1.00 0.00 N ATOM 967 CA PHE A 63 -6.370 -10.442 17.932 1.00 0.00 C ATOM 968 C PHE A 63 -5.541 -11.760 17.945 1.00 0.00 C ATOM 969 O PHE A 63 -4.481 -11.856 18.566 1.00 0.00 O ATOM 970 CB PHE A 63 -6.384 -9.738 16.537 1.00 0.00 C ATOM 971 CG PHE A 63 -5.022 -9.339 15.932 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.467 -8.083 16.201 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.311 -10.246 15.137 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.224 -7.739 15.677 1.00 0.00 C ATOM 975 CE2 PHE A 63 -3.065 -9.900 14.626 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.525 -8.649 14.894 1.00 0.00 C ATOM 0 H PHE A 63 -4.922 -9.607 19.223 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.401 -10.728 18.141 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.886 -10.399 15.831 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.993 -8.838 16.620 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.005 -7.378 16.817 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.731 -11.217 14.920 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.803 -6.765 15.879 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.516 -10.605 14.020 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.558 -8.383 14.492 1.00 0.00 H new ATOM 986 N THR A 64 -6.021 -12.763 17.192 1.00 0.00 N ATOM 987 CA THR A 64 -5.250 -14.001 16.900 1.00 0.00 C ATOM 988 C THR A 64 -5.339 -14.243 15.361 1.00 0.00 C ATOM 989 O THR A 64 -6.416 -14.155 14.761 1.00 0.00 O ATOM 990 CB THR A 64 -5.767 -15.195 17.755 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.861 -14.834 19.132 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.848 -16.423 17.690 1.00 0.00 C ATOM 0 H THR A 64 -6.948 -12.747 16.767 1.00 0.00 H new ATOM 0 HA THR A 64 -4.201 -13.897 17.178 1.00 0.00 H new ATOM 0 HB THR A 64 -6.741 -15.443 17.334 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.189 -15.599 19.649 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.263 -17.221 18.306 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.770 -16.765 16.658 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.858 -16.156 18.060 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.188 -14.549 14.728 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.069 -14.635 13.239 1.00 0.00 C ATOM 1002 C VAL A 65 -4.802 -15.876 12.639 1.00 0.00 C ATOM 1003 O VAL A 65 -4.702 -16.994 13.158 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.589 -14.535 12.731 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.003 -13.120 12.899 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.616 -15.585 13.302 1.00 0.00 C ATOM 0 H VAL A 65 -3.316 -14.744 15.220 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.586 -13.752 12.863 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.679 -14.764 11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.977 -13.105 12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.602 -12.408 12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.015 -12.844 13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.622 -15.425 12.885 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.574 -15.490 14.387 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.963 -16.584 13.038 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.562 -15.634 11.555 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.538 -16.619 11.023 1.00 0.00 C ATOM 1018 C GLY A 66 -7.919 -16.754 11.727 1.00 0.00 C ATOM 1019 O GLY A 66 -8.685 -17.642 11.345 1.00 0.00 O ATOM 0 H GLY A 66 -5.523 -14.763 11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.722 -16.371 9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.061 -17.599 11.039 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.232 -15.912 12.732 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.474 -15.994 13.542 1.00 0.00 C ATOM 1025 C GLU A 67 -10.149 -14.591 13.551 1.00 0.00 C ATOM 1026 O GLU A 67 -9.478 -13.555 13.650 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.142 -16.469 14.988 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.886 -17.984 15.164 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.496 -18.481 14.750 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -6.497 -18.092 15.392 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.397 -19.267 13.781 1.00 0.00 O ATOM 0 H GLU A 67 -7.623 -15.143 13.012 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.161 -16.721 13.109 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.260 -15.930 15.332 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.966 -16.182 15.641 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.045 -18.240 16.211 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.632 -18.528 14.586 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.498 -14.571 13.485 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.296 -13.312 13.512 1.00 0.00 C ATOM 1040 C GLU A 68 -12.314 -12.691 14.939 1.00 0.00 C ATOM 1041 O GLU A 68 -12.844 -13.285 15.884 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.715 -13.502 12.904 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.674 -14.510 13.581 1.00 0.00 C ATOM 1044 CD GLU A 68 -16.006 -14.648 12.837 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -16.951 -13.887 13.140 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -16.114 -15.517 11.944 1.00 0.00 O ATOM 0 H GLU A 68 -12.066 -15.415 13.412 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.801 -12.588 12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.206 -12.529 12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.593 -13.806 11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.190 -15.485 13.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.866 -14.191 14.606 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.667 -11.520 15.077 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.380 -10.902 16.395 1.00 0.00 C ATOM 1055 C CYS A 69 -11.944 -9.466 16.432 1.00 0.00 C ATOM 1056 O CYS A 69 -11.624 -8.634 15.573 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.859 -10.899 16.624 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.235 -12.610 16.735 1.00 0.00 S ATOM 0 H CYS A 69 -11.328 -10.973 14.286 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.858 -11.475 17.190 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.362 -10.375 15.807 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.623 -10.358 17.540 1.00 0.00 H new ATOM 0 HG CYS A 69 -9.264 -13.160 15.557 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.769 -9.185 17.459 1.00 0.00 N ATOM 1065 CA GLU A 70 -13.431 -7.868 17.639 1.00 0.00 C ATOM 1066 C GLU A 70 -12.413 -6.788 18.108 1.00 0.00 C ATOM 1067 O GLU A 70 -11.834 -6.888 19.194 1.00 0.00 O ATOM 1068 CB GLU A 70 -14.714 -8.008 18.511 1.00 0.00 C ATOM 1069 CG GLU A 70 -14.601 -8.201 20.045 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.006 -9.539 20.499 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -14.740 -10.553 20.515 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -12.803 -9.583 20.837 1.00 0.00 O ATOM 0 H GLU A 70 -12.998 -9.860 18.189 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.790 -7.500 16.678 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.318 -7.116 18.342 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.279 -8.854 18.120 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.990 -7.395 20.451 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.595 -8.098 20.481 1.00 0.00 H new ATOM 1079 N LEU A 71 -12.156 -5.806 17.225 1.00 0.00 N ATOM 1080 CA LEU A 71 -11.022 -4.857 17.369 1.00 0.00 C ATOM 1081 C LEU A 71 -11.595 -3.441 17.601 1.00 0.00 C ATOM 1082 O LEU A 71 -12.345 -2.917 16.771 1.00 0.00 O ATOM 1083 CB LEU A 71 -10.120 -4.922 16.099 1.00 0.00 C ATOM 1084 CG LEU A 71 -9.135 -6.127 16.059 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.660 -6.446 14.630 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.921 -5.889 16.975 1.00 0.00 C ATOM 0 H LEU A 71 -12.722 -5.643 16.393 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.399 -5.122 18.223 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.760 -4.965 15.218 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.545 -3.998 16.031 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.691 -6.990 16.427 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.975 -7.294 14.655 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.520 -6.693 14.007 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.148 -5.578 14.214 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.253 -6.749 16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.388 -4.996 16.649 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.261 -5.754 18.002 1.00 0.00 H new ATOM 1098 N GLU A 72 -11.213 -2.826 18.736 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.711 -1.488 19.147 1.00 0.00 C ATOM 1100 C GLU A 72 -11.034 -0.382 18.292 1.00 0.00 C ATOM 1101 O GLU A 72 -9.887 -0.009 18.536 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.489 -1.349 20.681 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.101 -0.104 21.364 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.217 1.149 21.324 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -10.165 1.168 22.001 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.570 2.119 20.618 1.00 0.00 O ATOM 0 H GLU A 72 -10.553 -3.236 19.396 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.779 -1.372 18.962 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.896 -2.237 21.165 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.416 -1.347 20.870 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.053 0.125 20.886 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.317 -0.347 22.404 1.00 0.00 H new ATOM 1113 N THR A 73 -11.755 0.125 17.277 1.00 0.00 N ATOM 1114 CA THR A 73 -11.218 1.152 16.338 1.00 0.00 C ATOM 1115 C THR A 73 -11.372 2.597 16.903 1.00 0.00 C ATOM 1116 O THR A 73 -12.136 2.867 17.838 1.00 0.00 O ATOM 1117 CB THR A 73 -11.849 1.000 14.915 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.274 0.952 14.973 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.325 -0.217 14.137 1.00 0.00 C ATOM 0 H THR A 73 -12.715 -0.154 17.077 1.00 0.00 H new ATOM 0 HA THR A 73 -10.147 0.977 16.236 1.00 0.00 H new ATOM 0 HB THR A 73 -11.538 1.892 14.371 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.635 0.858 14.067 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.806 -0.259 13.160 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.246 -0.129 14.007 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.550 -1.128 14.692 1.00 0.00 H new ATOM 1127 N MET A 74 -10.629 3.522 16.268 1.00 0.00 N ATOM 1128 CA MET A 74 -10.678 4.996 16.509 1.00 0.00 C ATOM 1129 C MET A 74 -12.090 5.634 16.729 1.00 0.00 C ATOM 1130 O MET A 74 -12.266 6.382 17.695 1.00 0.00 O ATOM 1131 CB MET A 74 -9.970 5.700 15.314 1.00 0.00 C ATOM 1132 CG MET A 74 -8.489 5.352 15.049 1.00 0.00 C ATOM 1133 SD MET A 74 -8.097 5.632 13.306 1.00 0.00 S ATOM 1134 CE MET A 74 -8.787 4.153 12.527 1.00 0.00 C ATOM 0 H MET A 74 -9.953 3.267 15.548 1.00 0.00 H new ATOM 0 HA MET A 74 -10.175 5.149 17.464 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.534 5.473 14.409 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.038 6.776 15.471 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.844 5.964 15.679 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.298 4.312 15.312 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.647 4.211 11.448 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.279 3.269 12.911 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.851 4.086 12.752 1.00 0.00 H new ATOM 1144 N THR A 75 -13.072 5.322 15.855 1.00 0.00 N ATOM 1145 CA THR A 75 -14.479 5.775 15.999 1.00 0.00 C ATOM 1146 C THR A 75 -15.392 4.572 15.617 1.00 0.00 C ATOM 1147 O THR A 75 -15.474 4.183 14.446 1.00 0.00 O ATOM 1148 CB THR A 75 -14.743 7.094 15.210 1.00 0.00 C ATOM 1149 OG1 THR A 75 -16.054 7.564 15.502 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.575 7.054 13.679 1.00 0.00 C ATOM 0 H THR A 75 -12.914 4.748 15.027 1.00 0.00 H new ATOM 0 HA THR A 75 -14.712 6.055 17.026 1.00 0.00 H new ATOM 0 HB THR A 75 -13.953 7.760 15.557 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.104 8.526 15.322 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.790 8.039 13.264 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.551 6.772 13.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.265 6.323 13.256 1.00 0.00 H new ATOM 1158 N GLY A 76 -16.059 3.981 16.621 1.00 0.00 N ATOM 1159 CA GLY A 76 -16.979 2.844 16.401 1.00 0.00 C ATOM 1160 C GLY A 76 -17.330 2.139 17.723 1.00 0.00 C ATOM 1161 O GLY A 76 -17.738 2.788 18.693 1.00 0.00 O ATOM 0 H GLY A 76 -15.981 4.269 17.596 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.892 3.200 15.924 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.520 2.130 15.717 1.00 0.00 H new ATOM 1165 N GLU A 77 -17.200 0.800 17.735 1.00 0.00 N ATOM 1166 CA GLU A 77 -17.470 -0.035 18.939 1.00 0.00 C ATOM 1167 C GLU A 77 -16.344 -1.112 18.996 1.00 0.00 C ATOM 1168 O GLU A 77 -15.231 -0.773 19.407 1.00 0.00 O ATOM 1169 CB GLU A 77 -18.940 -0.562 18.993 1.00 0.00 C ATOM 1170 CG GLU A 77 -20.038 0.503 19.217 1.00 0.00 C ATOM 1171 CD GLU A 77 -21.442 -0.101 19.318 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -22.071 -0.347 18.267 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -21.922 -0.329 20.452 1.00 0.00 O ATOM 0 H GLU A 77 -16.907 0.261 16.920 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.423 0.548 19.859 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -19.152 -1.082 18.059 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.010 -1.300 19.792 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -19.819 1.056 20.130 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -20.015 1.220 18.396 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.609 -2.378 18.602 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.574 -3.441 18.491 1.00 0.00 C ATOM 1182 C LYS A 78 -15.922 -4.256 17.213 1.00 0.00 C ATOM 1183 O LYS A 78 -16.828 -5.098 17.212 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.465 -4.361 19.742 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.855 -3.747 21.023 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.868 -3.124 22.005 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.176 -2.478 23.219 1.00 0.00 C ATOM 1188 NZ LYS A 78 -16.152 -1.907 24.163 1.00 0.00 N ATOM 0 H LYS A 78 -17.545 -2.696 18.351 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.590 -2.977 18.426 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.465 -4.721 19.984 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.870 -5.232 19.469 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.297 -4.523 21.547 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.138 -2.980 20.732 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.462 -2.373 21.484 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.559 -3.894 22.349 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.568 -3.224 23.731 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.499 -1.695 22.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.649 -1.481 24.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.715 -1.177 23.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.782 -2.659 24.508 1.00 0.00 H new ATOM 1202 N VAL A 79 -15.194 -3.970 16.121 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.484 -4.493 14.759 1.00 0.00 C ATOM 1204 C VAL A 79 -14.682 -5.805 14.489 1.00 0.00 C ATOM 1205 O VAL A 79 -13.447 -5.796 14.465 1.00 0.00 O ATOM 1206 CB VAL A 79 -15.264 -3.351 13.703 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.912 -2.602 13.753 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.522 -3.820 12.257 1.00 0.00 C ATOM 0 H VAL A 79 -14.375 -3.362 16.151 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.530 -4.787 14.672 1.00 0.00 H new ATOM 0 HB VAL A 79 -16.016 -2.625 14.012 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.889 -1.841 12.973 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.795 -2.127 14.727 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.098 -3.309 13.594 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.355 -2.990 11.570 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.842 -4.636 12.012 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.552 -4.166 12.165 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.410 -6.915 14.246 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.799 -8.247 13.995 1.00 0.00 C ATOM 1220 C LYS A 80 -14.281 -8.391 12.538 1.00 0.00 C ATOM 1221 O LYS A 80 -15.046 -8.319 11.571 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.712 -9.411 14.470 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.052 -9.637 13.733 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.893 -10.757 14.375 1.00 0.00 C ATOM 1225 CE LYS A 80 -19.159 -11.088 13.565 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.949 -12.154 14.208 1.00 0.00 N ATOM 0 H LYS A 80 -16.430 -6.919 14.217 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.907 -8.319 14.617 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.136 -10.334 14.404 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.935 -9.250 15.525 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.625 -8.710 13.734 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.853 -9.888 12.691 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.283 -11.655 14.470 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.180 -10.458 15.383 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.771 -10.192 13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.878 -11.399 12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.795 -12.352 13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.372 -13.016 14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.238 -11.847 15.159 1.00 0.00 H new ATOM 1240 N THR A 81 -12.957 -8.585 12.424 1.00 0.00 N ATOM 1241 CA THR A 81 -12.266 -8.804 11.125 1.00 0.00 C ATOM 1242 C THR A 81 -11.124 -9.849 11.311 1.00 0.00 C ATOM 1243 O THR A 81 -10.357 -9.807 12.281 1.00 0.00 O ATOM 1244 CB THR A 81 -11.821 -7.469 10.444 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.216 -7.764 9.189 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.871 -6.537 11.219 1.00 0.00 C ATOM 0 H THR A 81 -12.327 -8.596 13.226 1.00 0.00 H new ATOM 0 HA THR A 81 -12.973 -9.228 10.412 1.00 0.00 H new ATOM 0 HB THR A 81 -12.753 -6.908 10.373 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.342 -7.007 8.579 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.655 -5.655 10.616 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.343 -6.232 12.153 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.942 -7.064 11.437 1.00 0.00 H new ATOM 1254 N VAL A 82 -11.010 -10.770 10.330 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.947 -11.817 10.290 1.00 0.00 C ATOM 1256 C VAL A 82 -8.607 -11.142 9.862 1.00 0.00 C ATOM 1257 O VAL A 82 -8.534 -10.511 8.800 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.333 -12.997 9.323 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.256 -14.109 9.254 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.672 -13.692 9.666 1.00 0.00 C ATOM 0 H VAL A 82 -11.651 -10.815 9.538 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.834 -12.258 11.280 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.424 -12.491 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.584 -14.892 8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.318 -13.685 8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.107 -14.534 10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.860 -14.492 8.950 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.618 -14.110 10.671 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.482 -12.964 9.619 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.562 -11.302 10.695 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.239 -10.663 10.453 1.00 0.00 C ATOM 1272 C VAL A 83 -5.294 -11.756 9.882 1.00 0.00 C ATOM 1273 O VAL A 83 -4.757 -12.575 10.633 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.666 -9.946 11.724 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.358 -9.180 11.408 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.650 -8.968 12.411 1.00 0.00 C ATOM 0 H VAL A 83 -7.600 -11.867 11.544 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.341 -9.855 9.728 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.475 -10.762 12.421 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.992 -8.696 12.314 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.607 -9.879 11.041 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.554 -8.425 10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.169 -8.519 13.280 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.935 -8.185 11.708 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.540 -9.511 12.729 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.078 -11.740 8.554 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.161 -12.680 7.876 1.00 0.00 C ATOM 1288 C GLN A 84 -2.749 -12.051 7.761 1.00 0.00 C ATOM 1289 O GLN A 84 -2.579 -10.926 7.276 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.719 -13.036 6.478 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.962 -13.955 6.447 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.794 -15.392 6.987 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -4.703 -15.869 7.301 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -6.892 -16.123 7.090 1.00 0.00 N ATOM 0 H GLN A 84 -5.531 -11.080 7.922 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.082 -13.596 8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.967 -12.108 5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.925 -13.516 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.754 -13.471 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.307 -14.021 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.795 -15.726 6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.836 -17.083 7.430 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.747 -12.819 8.212 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.333 -12.368 8.263 1.00 0.00 C ATOM 1305 C LEU A 85 0.438 -12.903 7.026 1.00 0.00 C ATOM 1306 O LEU A 85 0.508 -14.112 6.781 1.00 0.00 O ATOM 1307 CB LEU A 85 0.275 -12.805 9.624 1.00 0.00 C ATOM 1308 CG LEU A 85 1.778 -12.514 9.892 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.221 -11.074 9.569 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.130 -12.852 11.353 1.00 0.00 C ATOM 0 H LEU A 85 -1.885 -13.770 8.553 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.258 -11.282 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.302 -12.325 10.414 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.122 -13.879 9.726 1.00 0.00 H new ATOM 0 HG LEU A 85 2.327 -13.156 9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.283 -10.963 9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.043 -10.867 8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.651 -10.373 10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.185 -12.645 11.530 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.523 -12.244 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.931 -13.907 11.540 1.00 0.00 H new ATOM 1322 N GLU A 86 1.029 -11.956 6.281 1.00 0.00 N ATOM 1323 CA GLU A 86 1.848 -12.240 5.075 1.00 0.00 C ATOM 1324 C GLU A 86 3.356 -12.090 5.413 1.00 0.00 C ATOM 1325 O GLU A 86 3.813 -11.035 5.867 1.00 0.00 O ATOM 1326 CB GLU A 86 1.442 -11.292 3.915 1.00 0.00 C ATOM 1327 CG GLU A 86 0.105 -11.674 3.241 1.00 0.00 C ATOM 1328 CD GLU A 86 -0.348 -10.733 2.117 1.00 0.00 C ATOM 1329 OE1 GLU A 86 0.495 -10.267 1.317 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -1.567 -10.465 2.023 1.00 0.00 O ATOM 0 H GLU A 86 0.956 -10.961 6.494 1.00 0.00 H new ATOM 0 HA GLU A 86 1.667 -13.266 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.368 -10.274 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.231 -11.293 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.195 -12.682 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.673 -11.705 4.004 1.00 0.00 H new ATOM 1337 N GLY A 87 4.113 -13.174 5.172 1.00 0.00 N ATOM 1338 CA GLY A 87 5.586 -13.208 5.387 1.00 0.00 C ATOM 1339 C GLY A 87 6.181 -13.113 6.820 1.00 0.00 C ATOM 1340 O GLY A 87 7.389 -12.886 6.935 1.00 0.00 O ATOM 0 H GLY A 87 3.731 -14.053 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.953 -14.136 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.014 -12.390 4.807 1.00 0.00 H new ATOM 1344 N ASP A 88 5.371 -13.255 7.893 1.00 0.00 N ATOM 1345 CA ASP A 88 5.779 -12.958 9.302 1.00 0.00 C ATOM 1346 C ASP A 88 6.271 -11.490 9.592 1.00 0.00 C ATOM 1347 O ASP A 88 7.076 -11.261 10.501 1.00 0.00 O ATOM 1348 CB ASP A 88 6.685 -14.096 9.868 1.00 0.00 C ATOM 1349 CG ASP A 88 6.725 -14.196 11.401 1.00 0.00 C ATOM 1350 OD1 ASP A 88 5.724 -14.640 12.005 1.00 0.00 O ATOM 1351 OD2 ASP A 88 7.757 -13.827 12.004 1.00 0.00 O ATOM 0 H ASP A 88 4.408 -13.581 7.815 1.00 0.00 H new ATOM 0 HA ASP A 88 4.859 -12.965 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.339 -15.048 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.701 -13.946 9.503 1.00 0.00 H new ATOM 1356 N ASN A 89 5.756 -10.497 8.838 1.00 0.00 N ATOM 1357 CA ASN A 89 6.097 -9.057 9.004 1.00 0.00 C ATOM 1358 C ASN A 89 4.951 -8.059 8.603 1.00 0.00 C ATOM 1359 O ASN A 89 4.950 -6.936 9.112 1.00 0.00 O ATOM 1360 CB ASN A 89 7.481 -8.741 8.354 1.00 0.00 C ATOM 1361 CG ASN A 89 7.511 -8.352 6.863 1.00 0.00 C ATOM 1362 OD1 ASN A 89 7.382 -9.191 5.972 1.00 0.00 O ATOM 1363 ND2 ASN A 89 7.670 -7.066 6.584 1.00 0.00 N ATOM 0 H ASN A 89 5.085 -10.667 8.089 1.00 0.00 H new ATOM 0 HA ASN A 89 6.195 -8.880 10.075 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.937 -7.929 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.118 -9.616 8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.687 -6.753 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.775 -6.389 7.340 1.00 0.00 H new ATOM 1370 N LYS A 90 4.023 -8.432 7.693 1.00 0.00 N ATOM 1371 CA LYS A 90 3.013 -7.514 7.106 1.00 0.00 C ATOM 1372 C LYS A 90 1.587 -8.009 7.479 1.00 0.00 C ATOM 1373 O LYS A 90 1.107 -8.998 6.917 1.00 0.00 O ATOM 1374 CB LYS A 90 3.257 -7.479 5.571 1.00 0.00 C ATOM 1375 CG LYS A 90 2.495 -6.373 4.804 1.00 0.00 C ATOM 1376 CD LYS A 90 2.215 -6.686 3.318 1.00 0.00 C ATOM 1377 CE LYS A 90 3.471 -6.875 2.444 1.00 0.00 C ATOM 1378 NZ LYS A 90 3.116 -7.093 1.031 1.00 0.00 N ATOM 0 H LYS A 90 3.951 -9.386 7.340 1.00 0.00 H new ATOM 0 HA LYS A 90 3.102 -6.500 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.325 -7.352 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.977 -8.446 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.545 -6.191 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.069 -5.449 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.611 -7.592 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.617 -5.877 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.110 -5.996 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.047 -7.725 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.983 -7.217 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.526 -7.946 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.588 -6.271 0.675 1.00 0.00 H new ATOM 1392 N LEU A 91 0.898 -7.305 8.400 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.491 -7.664 8.818 1.00 0.00 C ATOM 1394 C LEU A 91 -1.507 -6.995 7.859 1.00 0.00 C ATOM 1395 O LEU A 91 -1.645 -5.769 7.833 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.801 -7.225 10.274 1.00 0.00 C ATOM 1397 CG LEU A 91 0.036 -7.894 11.397 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.048 -7.026 12.670 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.455 -9.322 11.699 1.00 0.00 C ATOM 0 H LEU A 91 1.273 -6.483 8.874 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.575 -8.750 8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.660 -6.146 10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.855 -7.422 10.472 1.00 0.00 H new ATOM 0 HG LEU A 91 1.062 -7.975 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.641 -7.518 13.440 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.484 -6.053 12.443 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.973 -6.892 13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.156 -9.757 12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.496 -9.288 12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.373 -9.933 10.800 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.204 -7.829 7.077 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.122 -7.365 6.002 1.00 0.00 C ATOM 1413 C VAL A 92 -4.564 -7.686 6.495 1.00 0.00 C ATOM 1414 O VAL A 92 -4.995 -8.846 6.518 1.00 0.00 O ATOM 1415 CB VAL A 92 -2.745 -8.006 4.623 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -3.699 -7.585 3.481 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.296 -7.678 4.175 1.00 0.00 C ATOM 0 H VAL A 92 -2.155 -8.844 7.163 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.043 -6.293 5.818 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.837 -9.078 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.386 -8.061 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.716 -7.895 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.668 -6.502 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.097 -8.151 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.180 -6.598 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.592 -8.054 4.917 1.00 0.00 H new ATOM 1427 N THR A 93 -5.281 -6.623 6.890 1.00 0.00 N ATOM 1428 CA THR A 93 -6.680 -6.703 7.398 1.00 0.00 C ATOM 1429 C THR A 93 -7.466 -5.426 6.980 1.00 0.00 C ATOM 1430 O THR A 93 -6.888 -4.377 6.686 1.00 0.00 O ATOM 1431 CB THR A 93 -6.692 -6.991 8.934 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.994 -7.406 9.337 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.234 -5.853 9.868 1.00 0.00 C ATOM 0 H THR A 93 -4.913 -5.672 6.870 1.00 0.00 H new ATOM 0 HA THR A 93 -7.200 -7.545 6.942 1.00 0.00 H new ATOM 0 HB THR A 93 -5.939 -7.771 9.050 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.106 -8.361 9.149 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.292 -6.187 10.904 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.206 -5.580 9.632 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.881 -4.986 9.730 1.00 0.00 H new ATOM 1441 N THR A 94 -8.804 -5.533 6.967 1.00 0.00 N ATOM 1442 CA THR A 94 -9.706 -4.410 6.596 1.00 0.00 C ATOM 1443 C THR A 94 -10.965 -4.477 7.493 1.00 0.00 C ATOM 1444 O THR A 94 -11.655 -5.501 7.552 1.00 0.00 O ATOM 1445 CB THR A 94 -10.010 -4.376 5.071 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.792 -3.227 4.758 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.706 -5.623 4.498 1.00 0.00 C ATOM 0 H THR A 94 -9.298 -6.392 7.211 1.00 0.00 H new ATOM 0 HA THR A 94 -9.212 -3.457 6.782 1.00 0.00 H new ATOM 0 HB THR A 94 -9.029 -4.345 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.979 -3.210 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.869 -5.490 3.428 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.078 -6.498 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.665 -5.765 4.996 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.259 -3.365 8.183 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.312 -3.331 9.235 1.00 0.00 C ATOM 1457 C PHE A 95 -13.716 -3.157 8.582 1.00 0.00 C ATOM 1458 O PHE A 95 -14.420 -4.154 8.398 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.998 -2.312 10.372 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.598 -2.295 11.016 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.309 -3.076 12.139 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.629 -1.405 10.534 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.077 -2.961 12.777 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.397 -1.294 11.171 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.123 -2.067 12.294 1.00 0.00 C ATOM 0 H PHE A 95 -10.788 -2.472 8.039 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.322 -4.293 9.748 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.187 -1.314 9.976 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.721 -2.481 11.170 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.045 -3.772 12.513 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.840 -0.802 9.663 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.860 -3.564 13.646 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.654 -0.608 10.793 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.170 -1.974 12.793 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.087 -1.921 8.192 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.316 -1.626 7.423 1.00 0.00 C ATOM 1477 C LYS A 96 -14.874 -1.353 5.951 1.00 0.00 C ATOM 1478 O LYS A 96 -14.786 -2.308 5.173 1.00 0.00 O ATOM 1479 CB LYS A 96 -16.062 -0.495 8.189 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.481 -0.176 7.680 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.564 -1.234 7.994 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.932 -1.441 9.481 1.00 0.00 C ATOM 1483 NZ LYS A 96 -19.576 -0.263 10.094 1.00 0.00 N ATOM 0 H LYS A 96 -13.536 -1.089 8.404 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.045 -2.433 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.126 -0.773 9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.462 0.414 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.795 0.776 8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -17.436 -0.039 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.471 -0.960 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.230 -2.190 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.601 -2.297 9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.029 -1.685 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.797 -0.467 11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.931 0.551 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.454 -0.042 9.583 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.541 -0.095 5.590 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.760 0.231 4.368 1.00 0.00 C ATOM 1499 C ASN A 97 -12.473 1.035 4.760 1.00 0.00 C ATOM 1500 O ASN A 97 -12.266 2.167 4.310 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.730 0.961 3.392 1.00 0.00 C ATOM 1502 CG ASN A 97 -14.178 1.216 1.981 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -13.858 2.345 1.610 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -14.055 0.178 1.172 1.00 0.00 N ATOM 0 H ASN A 97 -14.804 0.726 6.135 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.381 -0.651 3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.643 0.371 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.009 1.918 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.691 0.308 0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.324 -0.753 1.492 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.606 0.431 5.600 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.318 1.033 6.042 1.00 0.00 C ATOM 1513 C ILE A 98 -9.333 -0.168 6.011 1.00 0.00 C ATOM 1514 O ILE A 98 -9.339 -0.986 6.937 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.375 1.741 7.453 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.363 2.947 7.553 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.970 2.234 7.891 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -12.786 2.588 8.010 1.00 0.00 C ATOM 0 H ILE A 98 -11.776 -0.494 5.996 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.017 1.855 5.392 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.750 0.962 8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.949 3.679 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.422 3.430 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.041 2.717 8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.290 1.384 7.956 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.590 2.947 7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -13.395 3.491 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.227 1.882 7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.747 2.135 9.001 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.472 -0.250 4.974 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.452 -1.324 4.883 1.00 0.00 C ATOM 1532 C LYS A 99 -6.162 -0.894 5.638 1.00 0.00 C ATOM 1533 O LYS A 99 -5.458 0.032 5.232 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.182 -1.753 3.420 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.320 -3.039 3.337 1.00 0.00 C ATOM 1536 CD LYS A 99 -6.153 -3.648 1.939 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.293 -2.808 0.975 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.126 -3.478 -0.327 1.00 0.00 N ATOM 0 H LYS A 99 -8.460 0.407 4.194 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.842 -2.216 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.131 -1.920 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.676 -0.944 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.330 -2.815 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.763 -3.792 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.705 -4.637 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.140 -3.788 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.758 -1.834 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.315 -2.629 1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.542 -2.885 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.660 -4.397 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.058 -3.626 -0.763 1.00 0.00 H new ATOM 1552 N SER A 100 -5.893 -1.637 6.716 1.00 0.00 N ATOM 1553 CA SER A 100 -4.688 -1.486 7.572 1.00 0.00 C ATOM 1554 C SER A 100 -3.575 -2.457 7.091 1.00 0.00 C ATOM 1555 O SER A 100 -3.783 -3.675 7.039 1.00 0.00 O ATOM 1556 CB SER A 100 -5.065 -1.775 9.048 1.00 0.00 C ATOM 1557 OG SER A 100 -5.770 -2.993 9.206 1.00 0.00 O ATOM 0 H SER A 100 -6.515 -2.380 7.034 1.00 0.00 H new ATOM 0 HA SER A 100 -4.311 -0.466 7.498 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.157 -1.805 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.674 -0.956 9.430 1.00 0.00 H new ATOM 0 HG SER A 100 -5.478 -3.631 8.522 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.400 -1.902 6.742 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.237 -2.697 6.250 1.00 0.00 C ATOM 1565 C VAL A 101 -0.053 -2.325 7.175 1.00 0.00 C ATOM 1566 O VAL A 101 0.613 -1.307 6.969 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.954 -2.460 4.729 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.315 -3.177 4.207 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.140 -2.923 3.854 1.00 0.00 C ATOM 0 H VAL A 101 -2.221 -0.899 6.789 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.430 -3.769 6.302 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.802 -1.384 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.443 -2.964 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.186 -2.820 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.211 -4.252 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.909 -2.744 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.314 -3.988 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.035 -2.365 4.129 1.00 0.00 H new ATOM 1579 N THR A 102 0.201 -3.185 8.173 1.00 0.00 N ATOM 1580 CA THR A 102 1.249 -2.947 9.208 1.00 0.00 C ATOM 1581 C THR A 102 2.579 -3.608 8.741 1.00 0.00 C ATOM 1582 O THR A 102 2.912 -4.721 9.160 1.00 0.00 O ATOM 1583 CB THR A 102 0.747 -3.442 10.599 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.558 -2.953 10.892 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.657 -3.025 11.762 1.00 0.00 C ATOM 0 H THR A 102 -0.304 -4.063 8.295 1.00 0.00 H new ATOM 0 HA THR A 102 1.450 -1.882 9.328 1.00 0.00 H new ATOM 0 HB THR A 102 0.749 -4.529 10.515 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.842 -3.284 11.770 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.247 -3.403 12.698 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.654 -3.438 11.610 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.717 -1.938 11.805 1.00 0.00 H new ATOM 1593 N GLU A 103 3.325 -2.908 7.864 1.00 0.00 N ATOM 1594 CA GLU A 103 4.528 -3.465 7.196 1.00 0.00 C ATOM 1595 C GLU A 103 5.785 -3.089 8.019 1.00 0.00 C ATOM 1596 O GLU A 103 6.140 -1.914 8.154 1.00 0.00 O ATOM 1597 CB GLU A 103 4.614 -2.955 5.734 1.00 0.00 C ATOM 1598 CG GLU A 103 5.506 -3.822 4.821 1.00 0.00 C ATOM 1599 CD GLU A 103 5.569 -3.306 3.380 1.00 0.00 C ATOM 1600 OE1 GLU A 103 4.553 -3.407 2.658 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.632 -2.799 2.963 1.00 0.00 O ATOM 0 H GLU A 103 3.116 -1.946 7.597 1.00 0.00 H new ATOM 0 HA GLU A 103 4.463 -4.552 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.609 -2.916 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.998 -1.935 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.514 -3.855 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.129 -4.845 4.819 1.00 0.00 H new ATOM 1608 N LEU A 104 6.439 -4.121 8.563 1.00 0.00 N ATOM 1609 CA LEU A 104 7.570 -3.960 9.511 1.00 0.00 C ATOM 1610 C LEU A 104 8.888 -3.834 8.704 1.00 0.00 C ATOM 1611 O LEU A 104 9.362 -4.814 8.119 1.00 0.00 O ATOM 1612 CB LEU A 104 7.535 -5.184 10.464 1.00 0.00 C ATOM 1613 CG LEU A 104 8.261 -5.103 11.830 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.077 -6.458 12.540 1.00 0.00 C ATOM 1615 CD2 LEU A 104 9.757 -4.744 11.777 1.00 0.00 C ATOM 0 H LEU A 104 6.207 -5.094 8.365 1.00 0.00 H new ATOM 0 HA LEU A 104 7.497 -3.056 10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.488 -5.415 10.663 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.951 -6.033 9.922 1.00 0.00 H new ATOM 0 HG LEU A 104 7.805 -4.274 12.371 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.578 -6.433 13.508 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.014 -6.650 12.687 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.508 -7.251 11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.161 -4.716 12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.291 -5.495 11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.880 -3.767 11.310 1.00 0.00 H new ATOM 1627 N ASN A 105 9.456 -2.614 8.659 1.00 0.00 N ATOM 1628 CA ASN A 105 10.593 -2.294 7.749 1.00 0.00 C ATOM 1629 C ASN A 105 11.929 -2.257 8.555 1.00 0.00 C ATOM 1630 O ASN A 105 12.531 -1.194 8.749 1.00 0.00 O ATOM 1631 CB ASN A 105 10.313 -0.981 6.947 1.00 0.00 C ATOM 1632 CG ASN A 105 8.927 -0.797 6.279 1.00 0.00 C ATOM 1633 OD1 ASN A 105 8.128 0.038 6.703 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.603 -1.567 5.253 1.00 0.00 N ATOM 0 H ASN A 105 9.153 -1.830 9.237 1.00 0.00 H new ATOM 0 HA ASN A 105 10.697 -3.082 7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.467 -0.141 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.069 -0.904 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.689 -1.470 4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.267 -2.258 4.904 1.00 0.00 H new ATOM 1641 N GLY A 106 12.380 -3.436 9.036 1.00 0.00 N ATOM 1642 CA GLY A 106 13.581 -3.555 9.897 1.00 0.00 C ATOM 1643 C GLY A 106 13.268 -3.256 11.378 1.00 0.00 C ATOM 1644 O GLY A 106 12.839 -4.144 12.117 1.00 0.00 O ATOM 0 H GLY A 106 11.926 -4.328 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.990 -4.562 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.349 -2.867 9.544 1.00 0.00 H new ATOM 1648 N ASP A 107 13.457 -1.987 11.767 1.00 0.00 N ATOM 1649 CA ASP A 107 12.885 -1.422 13.026 1.00 0.00 C ATOM 1650 C ASP A 107 11.572 -0.616 12.766 1.00 0.00 C ATOM 1651 O ASP A 107 10.622 -0.751 13.542 1.00 0.00 O ATOM 1652 CB ASP A 107 13.924 -0.535 13.771 1.00 0.00 C ATOM 1653 CG ASP A 107 15.134 -1.284 14.350 1.00 0.00 C ATOM 1654 OD1 ASP A 107 16.123 -1.494 13.613 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.102 -1.662 15.542 1.00 0.00 O ATOM 0 H ASP A 107 14.006 -1.316 11.230 1.00 0.00 H new ATOM 0 HA ASP A 107 12.633 -2.271 13.662 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.286 0.228 13.082 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.417 -0.015 14.584 1.00 0.00 H new ATOM 1660 N ILE A 108 11.523 0.235 11.716 1.00 0.00 N ATOM 1661 CA ILE A 108 10.472 1.269 11.531 1.00 0.00 C ATOM 1662 C ILE A 108 9.187 0.603 10.947 1.00 0.00 C ATOM 1663 O ILE A 108 9.156 0.212 9.778 1.00 0.00 O ATOM 1664 CB ILE A 108 11.006 2.459 10.650 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.321 3.138 11.160 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.930 3.561 10.499 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.628 2.552 10.602 1.00 0.00 C ATOM 0 H ILE A 108 12.215 0.226 10.967 1.00 0.00 H new ATOM 0 HA ILE A 108 10.206 1.705 12.494 1.00 0.00 H new ATOM 0 HB ILE A 108 11.241 1.987 9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.283 4.198 10.909 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.347 3.068 12.247 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.323 4.372 9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.044 3.142 10.021 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.663 3.946 11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.477 3.094 11.019 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.700 1.499 10.875 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.635 2.647 9.516 1.00 0.00 H new ATOM 1679 N ILE A 109 8.128 0.525 11.770 1.00 0.00 N ATOM 1680 CA ILE A 109 6.835 -0.108 11.391 1.00 0.00 C ATOM 1681 C ILE A 109 5.891 0.956 10.754 1.00 0.00 C ATOM 1682 O ILE A 109 5.589 1.976 11.383 1.00 0.00 O ATOM 1683 CB ILE A 109 6.253 -0.868 12.634 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.246 -1.977 12.232 1.00 0.00 C ATOM 1685 CG2 ILE A 109 5.671 0.044 13.748 1.00 0.00 C ATOM 1686 CD1 ILE A 109 4.919 -2.943 13.380 1.00 0.00 C ATOM 0 H ILE A 109 8.135 0.897 12.720 1.00 0.00 H new ATOM 0 HA ILE A 109 6.966 -0.864 10.617 1.00 0.00 H new ATOM 0 HB ILE A 109 7.126 -1.345 13.080 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.324 -1.512 11.883 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.654 -2.543 11.395 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.294 -0.573 14.563 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.453 0.703 14.124 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.857 0.643 13.340 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.209 -3.694 13.033 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.833 -3.434 13.714 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.482 -2.387 14.210 1.00 0.00 H new ATOM 1698 N THR A 110 5.437 0.713 9.512 1.00 0.00 N ATOM 1699 CA THR A 110 4.574 1.666 8.763 1.00 0.00 C ATOM 1700 C THR A 110 3.154 1.042 8.657 1.00 0.00 C ATOM 1701 O THR A 110 2.913 0.175 7.812 1.00 0.00 O ATOM 1702 CB THR A 110 5.219 2.013 7.387 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.521 2.563 7.584 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.423 3.047 6.571 1.00 0.00 C ATOM 0 H THR A 110 5.651 -0.140 8.996 1.00 0.00 H new ATOM 0 HA THR A 110 4.480 2.619 9.284 1.00 0.00 H new ATOM 0 HB THR A 110 5.240 1.073 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.198 1.898 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.934 3.237 5.627 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.423 2.661 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.347 3.976 7.136 1.00 0.00 H new ATOM 1712 N ASN A 111 2.221 1.525 9.502 1.00 0.00 N ATOM 1713 CA ASN A 111 0.786 1.137 9.447 1.00 0.00 C ATOM 1714 C ASN A 111 0.035 2.112 8.503 1.00 0.00 C ATOM 1715 O ASN A 111 -0.247 3.262 8.854 1.00 0.00 O ATOM 1716 CB ASN A 111 0.232 1.058 10.899 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.297 0.946 11.060 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.956 1.906 11.454 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.892 -0.195 10.750 1.00 0.00 N ATOM 0 H ASN A 111 2.434 2.194 10.242 1.00 0.00 H new ATOM 0 HA ASN A 111 0.639 0.145 9.020 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.688 0.198 11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.565 1.945 11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.904 -0.282 10.837 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.338 -0.987 10.424 1.00 0.00 H new ATOM 1726 N THR A 112 -0.293 1.596 7.307 1.00 0.00 N ATOM 1727 CA THR A 112 -0.915 2.381 6.219 1.00 0.00 C ATOM 1728 C THR A 112 -2.446 2.116 6.253 1.00 0.00 C ATOM 1729 O THR A 112 -2.916 1.120 5.693 1.00 0.00 O ATOM 1730 CB THR A 112 -0.248 1.999 4.861 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.170 2.105 4.941 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.699 2.888 3.692 1.00 0.00 C ATOM 0 H THR A 112 -0.135 0.618 7.063 1.00 0.00 H new ATOM 0 HA THR A 112 -0.760 3.452 6.347 1.00 0.00 H new ATOM 0 HB THR A 112 -0.562 0.972 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.581 1.455 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.198 2.569 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.778 2.801 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.441 3.926 3.904 1.00 0.00 H new ATOM 1740 N MET A 113 -3.206 3.021 6.899 1.00 0.00 N ATOM 1741 CA MET A 113 -4.693 2.973 6.901 1.00 0.00 C ATOM 1742 C MET A 113 -5.224 3.902 5.780 1.00 0.00 C ATOM 1743 O MET A 113 -5.026 5.117 5.827 1.00 0.00 O ATOM 1744 CB MET A 113 -5.278 3.354 8.285 1.00 0.00 C ATOM 1745 CG MET A 113 -5.192 2.236 9.334 1.00 0.00 C ATOM 1746 SD MET A 113 -6.197 2.692 10.765 1.00 0.00 S ATOM 1747 CE MET A 113 -4.941 2.930 12.030 1.00 0.00 C ATOM 0 H MET A 113 -2.818 3.800 7.431 1.00 0.00 H new ATOM 0 HA MET A 113 -5.018 1.951 6.705 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.751 4.231 8.661 1.00 0.00 H new ATOM 0 HB3 MET A 113 -6.322 3.640 8.159 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.544 1.295 8.911 1.00 0.00 H new ATOM 0 HG3 MET A 113 -4.156 2.082 9.636 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.413 3.266 12.953 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.423 1.988 12.210 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.225 3.680 11.695 1.00 0.00 H new ATOM 1757 N THR A 114 -5.895 3.313 4.774 1.00 0.00 N ATOM 1758 CA THR A 114 -6.447 4.067 3.617 1.00 0.00 C ATOM 1759 C THR A 114 -7.996 3.937 3.617 1.00 0.00 C ATOM 1760 O THR A 114 -8.545 2.839 3.485 1.00 0.00 O ATOM 1761 CB THR A 114 -5.741 3.671 2.286 1.00 0.00 C ATOM 1762 OG1 THR A 114 -6.164 4.560 1.256 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.921 2.225 1.782 1.00 0.00 C ATOM 0 H THR A 114 -6.073 2.309 4.733 1.00 0.00 H new ATOM 0 HA THR A 114 -6.230 5.131 3.713 1.00 0.00 H new ATOM 0 HB THR A 114 -4.680 3.744 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.723 4.319 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.375 2.095 0.848 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.536 1.529 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.980 2.027 1.614 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.682 5.087 3.743 1.00 0.00 N ATOM 1772 CA LEU A 115 -10.167 5.174 3.652 1.00 0.00 C ATOM 1773 C LEU A 115 -10.669 5.058 2.179 1.00 0.00 C ATOM 1774 O LEU A 115 -11.458 4.160 1.875 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.620 6.467 4.396 1.00 0.00 C ATOM 1776 CG LEU A 115 -12.142 6.771 4.490 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.944 5.685 5.236 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -12.366 8.139 5.163 1.00 0.00 C ATOM 0 H LEU A 115 -8.231 5.987 3.911 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.636 4.324 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.227 6.420 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.141 7.316 3.908 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.515 6.785 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.997 5.964 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.834 4.732 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.568 5.590 6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.435 8.344 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.941 8.125 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.881 8.918 4.575 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.192 5.947 1.293 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.486 5.888 -0.153 1.00 0.00 C ATOM 1792 C GLY A 116 -9.458 6.740 -0.916 1.00 0.00 C ATOM 1793 O GLY A 116 -8.491 6.204 -1.464 1.00 0.00 O ATOM 0 H GLY A 116 -9.591 6.728 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.450 4.856 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.494 6.255 -0.346 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.665 8.069 -0.907 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.665 9.052 -1.408 1.00 0.00 C ATOM 1799 C ASP A 117 -7.467 9.314 -0.431 1.00 0.00 C ATOM 1800 O ASP A 117 -6.342 9.500 -0.906 1.00 0.00 O ATOM 1801 CB ASP A 117 -9.433 10.356 -1.767 1.00 0.00 C ATOM 1802 CG ASP A 117 -8.624 11.390 -2.566 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -8.607 11.311 -3.815 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -8.001 12.280 -1.946 1.00 0.00 O ATOM 0 H ASP A 117 -10.521 8.498 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.179 8.634 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.321 10.090 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.778 10.822 -0.844 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.706 9.368 0.897 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.705 9.823 1.902 1.00 0.00 C ATOM 1811 C ILE A 118 -5.859 8.588 2.337 1.00 0.00 C ATOM 1812 O ILE A 118 -6.403 7.579 2.802 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.430 10.531 3.104 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.231 11.806 2.682 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.448 10.905 4.247 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.351 12.213 3.652 1.00 0.00 C ATOM 0 H ILE A 118 -8.599 9.098 1.309 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.028 10.565 1.479 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.141 9.790 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.535 12.639 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.666 11.635 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.997 11.391 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.970 10.002 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.687 11.585 3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.850 13.106 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.074 11.401 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.925 12.421 4.633 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.526 8.725 2.221 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.559 7.680 2.657 1.00 0.00 C ATOM 1830 C VAL A 119 -2.861 8.240 3.934 1.00 0.00 C ATOM 1831 O VAL A 119 -1.944 9.064 3.861 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.568 7.270 1.513 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.596 6.149 1.955 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.276 6.799 0.218 1.00 0.00 C ATOM 0 H VAL A 119 -4.083 9.554 1.826 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.063 6.743 2.895 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.017 8.186 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.929 5.899 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.007 6.492 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.166 5.265 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.528 6.532 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.896 5.930 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.902 7.603 -0.167 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.296 7.733 5.096 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.583 7.897 6.393 1.00 0.00 C ATOM 1846 C PHE A 120 -1.404 6.879 6.469 1.00 0.00 C ATOM 1847 O PHE A 120 -1.545 5.720 6.065 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.661 7.712 7.509 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.239 7.509 8.980 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.715 6.281 9.407 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.473 8.510 9.925 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.393 6.079 10.745 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.153 8.307 11.262 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.613 7.092 11.673 1.00 0.00 C ATOM 0 H PHE A 120 -4.157 7.192 5.174 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.124 8.878 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.309 8.588 7.478 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.271 6.854 7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.560 5.486 8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.906 9.449 9.614 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.973 5.137 11.063 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.324 9.093 11.983 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.365 6.935 12.712 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.275 7.314 7.055 1.00 0.00 N ATOM 1865 CA LYS A 121 0.824 6.404 7.478 1.00 0.00 C ATOM 1866 C LYS A 121 1.275 6.799 8.905 1.00 0.00 C ATOM 1867 O LYS A 121 1.576 7.962 9.191 1.00 0.00 O ATOM 1868 CB LYS A 121 2.051 6.440 6.528 1.00 0.00 C ATOM 1869 CG LYS A 121 1.890 5.591 5.259 1.00 0.00 C ATOM 1870 CD LYS A 121 3.009 5.842 4.224 1.00 0.00 C ATOM 1871 CE LYS A 121 2.842 5.097 2.886 1.00 0.00 C ATOM 1872 NZ LYS A 121 3.113 3.650 2.986 1.00 0.00 N ATOM 0 H LYS A 121 -0.091 8.298 7.251 1.00 0.00 H new ATOM 0 HA LYS A 121 0.432 5.387 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 121 2.242 7.473 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.929 6.095 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.884 4.536 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.924 5.808 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.062 6.912 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.963 5.553 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.826 5.245 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.514 5.535 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.033 3.216 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.074 3.501 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.423 3.211 3.629 1.00 0.00 H new ATOM 1886 N ARG A 122 1.384 5.777 9.763 1.00 0.00 N ATOM 1887 CA ARG A 122 2.013 5.884 11.099 1.00 0.00 C ATOM 1888 C ARG A 122 3.440 5.273 10.998 1.00 0.00 C ATOM 1889 O ARG A 122 3.620 4.060 11.139 1.00 0.00 O ATOM 1890 CB ARG A 122 1.086 5.140 12.099 1.00 0.00 C ATOM 1891 CG ARG A 122 1.504 5.297 13.567 1.00 0.00 C ATOM 1892 CD ARG A 122 0.633 4.523 14.575 1.00 0.00 C ATOM 1893 NE ARG A 122 1.203 4.534 15.948 1.00 0.00 N ATOM 1894 CZ ARG A 122 1.027 5.514 16.859 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.348 6.634 16.624 1.00 0.00 N ATOM 1896 NH2 ARG A 122 1.561 5.352 18.055 1.00 0.00 N ATOM 0 H ARG A 122 1.037 4.841 9.554 1.00 0.00 H new ATOM 0 HA ARG A 122 2.126 6.910 11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.068 5.510 11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.072 4.080 11.847 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.537 4.967 13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.480 6.356 13.825 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.366 4.959 14.597 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.524 3.492 14.239 1.00 0.00 H new ATOM 0 HE ARG A 122 1.774 3.735 16.224 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.077 6.791 15.710 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.252 7.336 17.358 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.088 4.505 18.268 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.447 6.074 18.767 1.00 0.00 H new ATOM 1910 N ILE A 123 4.443 6.137 10.763 1.00 0.00 N ATOM 1911 CA ILE A 123 5.872 5.732 10.623 1.00 0.00 C ATOM 1912 C ILE A 123 6.458 5.712 12.070 1.00 0.00 C ATOM 1913 O ILE A 123 6.650 6.777 12.655 1.00 0.00 O ATOM 1914 CB ILE A 123 6.634 6.706 9.645 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.039 6.806 8.200 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.132 6.347 9.513 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.038 7.951 7.984 1.00 0.00 C ATOM 0 H ILE A 123 4.295 7.141 10.663 1.00 0.00 H new ATOM 0 HA ILE A 123 5.984 4.746 10.172 1.00 0.00 H new ATOM 0 HB ILE A 123 6.504 7.676 10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.860 6.924 7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.546 5.864 7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.615 7.045 8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.609 6.409 10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.230 5.333 9.125 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.684 7.935 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.192 7.827 8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.527 8.904 8.185 1.00 0.00 H new ATOM 1929 N SER A 124 6.701 4.516 12.641 1.00 0.00 N ATOM 1930 CA SER A 124 6.986 4.347 14.095 1.00 0.00 C ATOM 1931 C SER A 124 8.353 3.634 14.320 1.00 0.00 C ATOM 1932 O SER A 124 8.468 2.412 14.208 1.00 0.00 O ATOM 1933 CB SER A 124 5.789 3.615 14.758 1.00 0.00 C ATOM 1934 OG SER A 124 4.759 4.533 15.104 1.00 0.00 O ATOM 0 H SER A 124 6.707 3.640 12.118 1.00 0.00 H new ATOM 0 HA SER A 124 7.087 5.320 14.576 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.396 2.862 14.076 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.128 3.090 15.651 1.00 0.00 H new ATOM 0 HG SER A 124 4.015 4.049 15.519 1.00 0.00 H new ATOM 1940 N LYS A 125 9.380 4.435 14.665 1.00 0.00 N ATOM 1941 CA LYS A 125 10.779 3.973 14.898 1.00 0.00 C ATOM 1942 C LYS A 125 10.985 3.487 16.367 1.00 0.00 C ATOM 1943 O LYS A 125 10.541 4.136 17.320 1.00 0.00 O ATOM 1944 CB LYS A 125 11.694 5.170 14.491 1.00 0.00 C ATOM 1945 CG LYS A 125 13.229 4.956 14.474 1.00 0.00 C ATOM 1946 CD LYS A 125 13.984 5.173 15.804 1.00 0.00 C ATOM 1947 CE LYS A 125 14.061 6.628 16.303 1.00 0.00 C ATOM 1948 NZ LYS A 125 14.760 6.715 17.597 1.00 0.00 N ATOM 0 H LYS A 125 9.268 5.441 14.794 1.00 0.00 H new ATOM 0 HA LYS A 125 11.030 3.098 14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.393 5.493 13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.482 5.995 15.171 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.425 3.939 14.136 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.656 5.627 13.729 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.504 4.570 16.575 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.000 4.794 15.689 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.580 7.240 15.565 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.054 7.034 16.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.796 7.707 17.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.250 6.149 18.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.728 6.350 17.494 1.00 0.00 H new ATOM 1962 N ARG A 126 11.694 2.350 16.535 1.00 0.00 N ATOM 1963 CA ARG A 126 11.878 1.683 17.860 1.00 0.00 C ATOM 1964 C ARG A 126 12.850 2.419 18.828 1.00 0.00 C ATOM 1965 O ARG A 126 13.857 3.001 18.416 1.00 0.00 O ATOM 1966 CB ARG A 126 12.365 0.219 17.674 1.00 0.00 C ATOM 1967 CG ARG A 126 11.327 -0.731 17.045 1.00 0.00 C ATOM 1968 CD ARG A 126 11.764 -2.201 16.928 1.00 0.00 C ATOM 1969 NE ARG A 126 11.786 -2.914 18.231 1.00 0.00 N ATOM 1970 CZ ARG A 126 11.823 -4.256 18.362 1.00 0.00 C ATOM 1971 NH1 ARG A 126 11.775 -5.107 17.339 1.00 0.00 N ATOM 1972 NH2 ARG A 126 11.913 -4.757 19.580 1.00 0.00 N ATOM 0 H ARG A 126 12.156 1.864 15.766 1.00 0.00 H new ATOM 0 HA ARG A 126 10.893 1.711 18.325 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.258 0.224 17.049 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.659 -0.178 18.646 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.413 -0.687 17.638 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.079 -0.363 16.049 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.088 -2.721 16.249 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.758 -2.243 16.482 1.00 0.00 H new ATOM 0 HE ARG A 126 11.772 -2.352 19.082 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.706 -4.754 16.385 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.807 -6.112 17.510 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.952 -4.134 20.386 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.943 -5.768 19.715 1.00 0.00 H new ATOM 1986 N ILE A 127 12.545 2.329 20.139 1.00 0.00 N ATOM 1987 CA ILE A 127 13.315 3.023 21.211 1.00 0.00 C ATOM 1988 C ILE A 127 14.545 2.148 21.551 1.00 0.00 C ATOM 1989 O ILE A 127 14.439 1.069 22.138 1.00 0.00 O ATOM 1990 CB ILE A 127 12.461 3.390 22.483 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.076 4.063 22.208 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.260 4.302 23.452 1.00 0.00 C ATOM 1993 CD1 ILE A 127 9.921 3.062 22.058 1.00 0.00 C ATOM 0 H ILE A 127 11.763 1.777 20.491 1.00 0.00 H new ATOM 0 HA ILE A 127 13.636 3.995 20.836 1.00 0.00 H new ATOM 0 HB ILE A 127 12.249 2.418 22.928 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.847 4.749 23.024 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.147 4.661 21.299 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.644 4.538 24.320 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.163 3.785 23.777 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.535 5.224 22.940 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.993 3.602 21.869 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.127 2.392 21.224 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.822 2.481 22.975 1.00 0.00 H new TER 2005 ILE A 127