USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.439 K(o=1.2,f=-1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.737 K(o=1.2,f=-0.67) USER MOD Set 2.1: A 55 THR OG1 : rot 142:sc= 1.62 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.09 USER MOD Set 3.1: A 22 THR OG1 : rot -76:sc= 1.34 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.43 K(o=2.8,f=-5.8!) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0745) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.68 (180deg=1.58) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -66:sc= 1.26 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -101:sc= 0.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.35 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 2.23 (180deg=1.82) USER MOD Single : A 31 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.78) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.17) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 0.87 K(o=0.87,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= 0.886 (180deg=0.151) USER MOD Single : A 49 GLN : amide:sc= 0.862 K(o=0.86,f=-7.9!) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.335 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.121 K(o=0.12,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.967 52.278 19.634 1.00 0.00 N ATOM 2 CA MET A 1 33.315 52.626 21.020 1.00 0.00 C ATOM 3 C MET A 1 34.827 52.833 21.132 1.00 0.00 C ATOM 4 O MET A 1 35.565 52.246 20.343 1.00 0.00 O ATOM 5 CB MET A 1 32.815 51.579 22.012 1.00 0.00 C ATOM 6 CG MET A 1 33.517 50.226 21.941 1.00 0.00 C ATOM 7 SD MET A 1 32.857 48.998 23.094 1.00 0.00 S ATOM 8 CE MET A 1 33.887 47.579 22.645 1.00 0.00 C ATOM 0 H1 MET A 1 31.933 52.287 19.523 1.00 0.00 H new ATOM 0 H2 MET A 1 33.391 52.971 18.985 1.00 0.00 H new ATOM 0 H3 MET A 1 33.331 51.329 19.413 1.00 0.00 H new ATOM 0 HA MET A 1 32.813 53.558 21.280 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.927 51.976 23.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.749 51.426 21.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.435 49.838 20.926 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.579 50.367 22.144 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.534 46.692 23.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.826 47.411 21.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.922 47.778 22.923 1.00 0.00 H new ATOM 20 N GLN A 2 35.294 53.586 22.123 1.00 0.00 N ATOM 21 CA GLN A 2 36.712 53.714 22.395 1.00 0.00 C ATOM 22 C GLN A 2 37.143 52.871 23.596 1.00 0.00 C ATOM 23 O GLN A 2 36.422 52.809 24.590 1.00 0.00 O ATOM 24 CB GLN A 2 37.102 55.181 22.553 1.00 0.00 C ATOM 25 CG GLN A 2 37.112 55.920 21.217 1.00 0.00 C ATOM 26 CD GLN A 2 37.445 57.403 21.391 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.550 57.872 21.128 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.500 58.209 21.865 1.00 0.00 N ATOM 0 H GLN A 2 34.698 54.121 22.755 1.00 0.00 H new ATOM 0 HA GLN A 2 37.253 53.319 21.535 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.404 55.670 23.232 1.00 0.00 H new ATOM 0 HB3 GLN A 2 38.089 55.246 23.010 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.842 55.459 20.552 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.138 55.820 20.739 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.577 57.837 22.089 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.698 59.200 22.005 1.00 0.00 H new ATOM 37 N ILE A 3 38.323 52.263 23.527 1.00 0.00 N ATOM 38 CA ILE A 3 38.999 51.650 24.653 1.00 0.00 C ATOM 39 C ILE A 3 40.475 52.051 24.683 1.00 0.00 C ATOM 40 O ILE A 3 41.019 52.511 23.681 1.00 0.00 O ATOM 41 CB ILE A 3 38.782 50.143 24.753 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.781 49.250 24.023 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.353 49.701 24.452 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.850 49.437 22.510 1.00 0.00 C ATOM 0 H ILE A 3 38.847 52.184 22.656 1.00 0.00 H new ATOM 0 HA ILE A 3 38.534 52.045 25.556 1.00 0.00 H new ATOM 0 HB ILE A 3 38.982 49.982 25.812 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.773 49.429 24.439 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.531 48.210 24.231 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.280 48.617 24.544 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.670 50.172 25.159 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.086 49.998 23.438 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.590 48.754 22.092 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.874 49.226 22.072 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.135 50.464 22.283 1.00 0.00 H new ATOM 56 N PHE A 4 41.132 51.853 25.822 1.00 0.00 N ATOM 57 CA PHE A 4 42.508 52.248 26.044 1.00 0.00 C ATOM 58 C PHE A 4 43.470 51.059 26.088 1.00 0.00 C ATOM 59 O PHE A 4 43.143 50.001 26.623 1.00 0.00 O ATOM 60 CB PHE A 4 42.607 53.055 27.335 1.00 0.00 C ATOM 61 CG PHE A 4 41.599 54.170 27.486 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.723 55.332 26.716 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.556 54.064 28.414 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.811 56.383 26.872 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.650 55.118 28.582 1.00 0.00 C ATOM 66 CZ PHE A 4 39.774 56.277 27.806 1.00 0.00 C ATOM 0 H PHE A 4 40.707 51.402 26.632 1.00 0.00 H new ATOM 0 HA PHE A 4 42.810 52.861 25.195 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.497 52.373 28.178 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.608 53.483 27.399 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.526 55.418 25.998 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.450 53.165 29.003 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.908 57.275 26.272 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.856 55.037 29.310 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.071 57.088 27.928 1.00 0.00 H new ATOM 76 N VAL A 5 44.697 51.263 25.621 1.00 0.00 N ATOM 77 CA VAL A 5 45.840 50.439 25.958 1.00 0.00 C ATOM 78 C VAL A 5 46.876 51.268 26.722 1.00 0.00 C ATOM 79 O VAL A 5 47.163 52.398 26.334 1.00 0.00 O ATOM 80 CB VAL A 5 46.450 49.724 24.756 1.00 0.00 C ATOM 81 CG1 VAL A 5 45.444 48.760 24.133 1.00 0.00 C ATOM 82 CG2 VAL A 5 46.955 50.646 23.650 1.00 0.00 C ATOM 0 H VAL A 5 44.924 52.026 24.983 1.00 0.00 H new ATOM 0 HA VAL A 5 45.482 49.640 26.607 1.00 0.00 H new ATOM 0 HB VAL A 5 47.314 49.200 25.166 1.00 0.00 H new ATOM 0 HG11 VAL A 5 45.900 48.261 23.278 1.00 0.00 H new ATOM 0 HG12 VAL A 5 45.148 48.016 24.872 1.00 0.00 H new ATOM 0 HG13 VAL A 5 44.565 49.314 23.804 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.371 50.048 22.839 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.128 51.246 23.271 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.728 51.303 24.049 1.00 0.00 H new ATOM 92 N LYS A 6 47.423 50.718 27.803 1.00 0.00 N ATOM 93 CA LYS A 6 48.447 51.294 28.651 1.00 0.00 C ATOM 94 C LYS A 6 49.745 50.489 28.569 1.00 0.00 C ATOM 95 O LYS A 6 49.713 49.295 28.277 1.00 0.00 O ATOM 96 CB LYS A 6 47.901 51.406 30.071 1.00 0.00 C ATOM 97 CG LYS A 6 48.832 52.168 31.010 1.00 0.00 C ATOM 98 CD LYS A 6 48.182 52.581 32.327 1.00 0.00 C ATOM 99 CE LYS A 6 47.755 51.383 33.170 1.00 0.00 C ATOM 100 NZ LYS A 6 47.149 51.821 34.437 1.00 0.00 N ATOM 0 H LYS A 6 47.138 49.794 28.127 1.00 0.00 H new ATOM 0 HA LYS A 6 48.702 52.296 28.307 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.933 51.906 30.044 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.732 50.406 30.469 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.702 51.548 31.225 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.195 53.060 30.500 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.882 53.192 32.898 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.312 53.203 32.119 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.042 50.776 32.612 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.619 50.751 33.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.867 50.989 34.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.840 52.380 34.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.311 52.404 34.238 1.00 0.00 H new ATOM 114 N THR A 7 50.879 51.137 28.822 1.00 0.00 N ATOM 115 CA THR A 7 52.206 50.571 28.689 1.00 0.00 C ATOM 116 C THR A 7 53.056 50.769 29.945 1.00 0.00 C ATOM 117 O THR A 7 52.640 51.453 30.876 1.00 0.00 O ATOM 118 CB THR A 7 52.893 51.157 27.459 1.00 0.00 C ATOM 119 OG1 THR A 7 52.982 52.562 27.540 1.00 0.00 O ATOM 120 CG2 THR A 7 52.171 50.820 26.157 1.00 0.00 C ATOM 0 H THR A 7 50.892 52.107 29.137 1.00 0.00 H new ATOM 0 HA THR A 7 52.099 49.494 28.562 1.00 0.00 H new ATOM 0 HB THR A 7 53.885 50.705 27.447 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.083 52.949 27.503 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.707 51.264 25.318 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.133 49.738 26.031 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.156 51.217 26.190 1.00 0.00 H new ATOM 128 N LEU A 8 54.237 50.160 30.010 1.00 0.00 N ATOM 129 CA LEU A 8 55.143 50.172 31.142 1.00 0.00 C ATOM 130 C LEU A 8 55.507 51.569 31.652 1.00 0.00 C ATOM 131 O LEU A 8 55.578 51.770 32.863 1.00 0.00 O ATOM 132 CB LEU A 8 56.422 49.436 30.753 1.00 0.00 C ATOM 133 CG LEU A 8 56.325 47.914 30.738 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.554 47.328 30.049 1.00 0.00 C ATOM 135 CD2 LEU A 8 56.263 47.331 32.147 1.00 0.00 C ATOM 0 H LEU A 8 54.602 49.616 29.228 1.00 0.00 H new ATOM 0 HA LEU A 8 54.617 49.680 31.961 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.727 49.773 29.762 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.212 49.726 31.446 1.00 0.00 H new ATOM 0 HG LEU A 8 55.409 47.658 30.206 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.482 46.240 30.040 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.607 47.697 29.025 1.00 0.00 H new ATOM 0 HD13 LEU A 8 58.452 47.628 30.590 1.00 0.00 H new ATOM 0 HD21 LEU A 8 56.195 46.245 32.089 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.163 47.609 32.696 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.387 47.722 32.664 1.00 0.00 H new ATOM 147 N THR A 9 55.679 52.552 30.774 1.00 0.00 N ATOM 148 CA THR A 9 55.945 53.925 31.154 1.00 0.00 C ATOM 149 C THR A 9 54.702 54.706 31.584 1.00 0.00 C ATOM 150 O THR A 9 54.786 55.894 31.886 1.00 0.00 O ATOM 151 CB THR A 9 56.695 54.692 30.068 1.00 0.00 C ATOM 152 OG1 THR A 9 55.922 54.753 28.890 1.00 0.00 O ATOM 153 CG2 THR A 9 58.052 54.098 29.703 1.00 0.00 C ATOM 0 H THR A 9 55.636 52.410 29.765 1.00 0.00 H new ATOM 0 HA THR A 9 56.585 53.842 32.032 1.00 0.00 H new ATOM 0 HB THR A 9 56.870 55.681 30.491 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.413 55.249 28.202 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.517 54.703 28.925 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.693 54.086 30.585 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.917 53.080 29.338 1.00 0.00 H new ATOM 161 N GLY A 10 53.530 54.078 31.605 1.00 0.00 N ATOM 162 CA GLY A 10 52.250 54.694 31.893 1.00 0.00 C ATOM 163 C GLY A 10 51.600 55.399 30.701 1.00 0.00 C ATOM 164 O GLY A 10 50.443 55.802 30.790 1.00 0.00 O ATOM 0 H GLY A 10 53.449 53.080 31.412 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.568 53.928 32.262 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.382 55.417 32.698 1.00 0.00 H new ATOM 168 N LYS A 11 52.305 55.531 29.580 1.00 0.00 N ATOM 169 CA LYS A 11 51.806 56.107 28.347 1.00 0.00 C ATOM 170 C LYS A 11 50.673 55.262 27.763 1.00 0.00 C ATOM 171 O LYS A 11 50.718 54.036 27.849 1.00 0.00 O ATOM 172 CB LYS A 11 52.993 56.298 27.407 1.00 0.00 C ATOM 173 CG LYS A 11 52.656 57.079 26.139 1.00 0.00 C ATOM 174 CD LYS A 11 53.894 57.527 25.368 1.00 0.00 C ATOM 175 CE LYS A 11 54.517 58.769 25.997 1.00 0.00 C ATOM 176 NZ LYS A 11 55.714 59.214 25.265 1.00 0.00 N ATOM 0 H LYS A 11 53.276 55.226 29.509 1.00 0.00 H new ATOM 0 HA LYS A 11 51.355 57.084 28.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.788 56.818 27.942 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.384 55.320 27.127 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.036 56.459 25.491 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.064 57.955 26.405 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.626 56.720 25.350 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.625 57.737 24.333 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.782 59.574 26.015 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.783 58.557 27.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.107 60.060 25.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 56.426 58.456 25.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.456 59.441 24.283 1.00 0.00 H new ATOM 190 N THR A 12 49.665 55.899 27.175 1.00 0.00 N ATOM 191 CA THR A 12 48.459 55.272 26.673 1.00 0.00 C ATOM 192 C THR A 12 48.151 55.601 25.212 1.00 0.00 C ATOM 193 O THR A 12 48.516 56.667 24.721 1.00 0.00 O ATOM 194 CB THR A 12 47.231 55.632 27.504 1.00 0.00 C ATOM 195 OG1 THR A 12 47.110 57.033 27.618 1.00 0.00 O ATOM 196 CG2 THR A 12 47.255 55.048 28.913 1.00 0.00 C ATOM 0 H THR A 12 49.672 56.909 27.032 1.00 0.00 H new ATOM 0 HA THR A 12 48.669 54.205 26.751 1.00 0.00 H new ATOM 0 HB THR A 12 46.383 55.200 26.973 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.317 57.251 28.152 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.351 55.345 29.445 1.00 0.00 H new ATOM 0 HG22 THR A 12 47.301 53.961 28.855 1.00 0.00 H new ATOM 0 HG23 THR A 12 48.129 55.421 29.446 1.00 0.00 H new ATOM 204 N ILE A 13 47.415 54.721 24.540 1.00 0.00 N ATOM 205 CA ILE A 13 46.864 54.916 23.214 1.00 0.00 C ATOM 206 C ILE A 13 45.373 54.571 23.251 1.00 0.00 C ATOM 207 O ILE A 13 44.979 53.615 23.914 1.00 0.00 O ATOM 208 CB ILE A 13 47.612 54.109 22.156 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.123 54.327 22.167 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.107 54.443 20.756 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.897 53.315 23.006 1.00 0.00 C ATOM 0 H ILE A 13 47.178 53.809 24.930 1.00 0.00 H new ATOM 0 HA ILE A 13 46.986 55.960 22.925 1.00 0.00 H new ATOM 0 HB ILE A 13 47.415 53.068 22.410 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.491 54.289 21.142 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.331 55.329 22.543 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.656 53.855 20.021 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.045 54.209 20.687 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.259 55.504 20.558 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.962 53.542 22.959 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.560 53.367 24.041 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.723 52.311 22.618 1.00 0.00 H new ATOM 223 N THR A 14 44.552 55.326 22.525 1.00 0.00 N ATOM 224 CA THR A 14 43.117 55.148 22.450 1.00 0.00 C ATOM 225 C THR A 14 42.706 54.607 21.079 1.00 0.00 C ATOM 226 O THR A 14 43.116 55.144 20.052 1.00 0.00 O ATOM 227 CB THR A 14 42.389 56.452 22.765 1.00 0.00 C ATOM 228 OG1 THR A 14 42.843 56.936 24.009 1.00 0.00 O ATOM 229 CG2 THR A 14 40.882 56.262 22.901 1.00 0.00 C ATOM 0 H THR A 14 44.886 56.104 21.956 1.00 0.00 H new ATOM 0 HA THR A 14 42.828 54.413 23.201 1.00 0.00 H new ATOM 0 HB THR A 14 42.593 57.136 21.941 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.188 56.716 24.704 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.413 57.220 23.125 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.479 55.870 21.967 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.675 55.559 23.708 1.00 0.00 H new ATOM 237 N LEU A 15 41.899 53.550 21.054 1.00 0.00 N ATOM 238 CA LEU A 15 41.531 52.838 19.847 1.00 0.00 C ATOM 239 C LEU A 15 40.013 52.848 19.654 1.00 0.00 C ATOM 240 O LEU A 15 39.283 52.589 20.609 1.00 0.00 O ATOM 241 CB LEU A 15 42.057 51.407 19.910 1.00 0.00 C ATOM 242 CG LEU A 15 43.510 51.221 20.336 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.793 49.735 20.540 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.504 51.762 19.312 1.00 0.00 C ATOM 0 H LEU A 15 41.476 53.160 21.896 1.00 0.00 H new ATOM 0 HA LEU A 15 41.981 53.341 18.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.427 50.845 20.600 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.932 50.957 18.925 1.00 0.00 H new ATOM 0 HG LEU A 15 43.641 51.784 21.260 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.831 49.601 20.844 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.134 49.342 21.314 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.616 49.200 19.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.520 51.601 19.671 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.368 51.243 18.363 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.335 52.829 19.169 1.00 0.00 H new ATOM 256 N GLU A 16 39.552 53.098 18.433 1.00 0.00 N ATOM 257 CA GLU A 16 38.160 52.977 18.044 1.00 0.00 C ATOM 258 C GLU A 16 37.872 51.549 17.580 1.00 0.00 C ATOM 259 O GLU A 16 38.549 51.023 16.699 1.00 0.00 O ATOM 260 CB GLU A 16 37.833 54.023 16.981 1.00 0.00 C ATOM 261 CG GLU A 16 36.422 53.937 16.406 1.00 0.00 C ATOM 262 CD GLU A 16 35.313 54.043 17.454 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.380 54.924 18.338 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.341 53.260 17.382 1.00 0.00 O ATOM 0 H GLU A 16 40.157 53.398 17.669 1.00 0.00 H new ATOM 0 HA GLU A 16 37.510 53.170 18.897 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.974 55.014 17.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.549 53.926 16.165 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.291 54.732 15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.315 52.992 15.874 1.00 0.00 H new ATOM 271 N VAL A 17 36.884 50.898 18.190 1.00 0.00 N ATOM 272 CA VAL A 17 36.577 49.494 18.002 1.00 0.00 C ATOM 273 C VAL A 17 35.074 49.213 17.960 1.00 0.00 C ATOM 274 O VAL A 17 34.254 49.996 18.433 1.00 0.00 O ATOM 275 CB VAL A 17 37.223 48.628 19.080 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.746 48.735 19.095 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.675 48.927 20.473 1.00 0.00 C ATOM 0 H VAL A 17 36.257 51.356 18.851 1.00 0.00 H new ATOM 0 HA VAL A 17 36.995 49.232 17.030 1.00 0.00 H new ATOM 0 HB VAL A 17 36.959 47.604 18.815 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.148 48.097 19.882 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.143 48.416 18.131 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.036 49.769 19.282 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.167 48.284 21.203 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.865 49.971 20.722 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.601 48.739 20.490 1.00 0.00 H new ATOM 287 N GLU A 18 34.737 48.021 17.477 1.00 0.00 N ATOM 288 CA GLU A 18 33.492 47.347 17.785 1.00 0.00 C ATOM 289 C GLU A 18 33.736 46.166 18.727 1.00 0.00 C ATOM 290 O GLU A 18 34.811 45.573 18.666 1.00 0.00 O ATOM 291 CB GLU A 18 32.824 46.866 16.501 1.00 0.00 C ATOM 292 CG GLU A 18 32.229 47.989 15.657 1.00 0.00 C ATOM 293 CD GLU A 18 31.174 48.791 16.421 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.156 48.213 16.860 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.375 50.009 16.618 1.00 0.00 O ATOM 0 H GLU A 18 35.339 47.490 16.847 1.00 0.00 H new ATOM 0 HA GLU A 18 32.831 48.055 18.285 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.556 46.324 15.903 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.035 46.159 16.756 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.026 48.658 15.332 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.781 47.567 14.758 1.00 0.00 H new ATOM 302 N PRO A 19 32.771 45.741 19.538 1.00 0.00 N ATOM 303 CA PRO A 19 32.907 44.561 20.368 1.00 0.00 C ATOM 304 C PRO A 19 33.178 43.278 19.578 1.00 0.00 C ATOM 305 O PRO A 19 33.731 42.321 20.114 1.00 0.00 O ATOM 306 CB PRO A 19 31.600 44.466 21.150 1.00 0.00 C ATOM 307 CG PRO A 19 30.590 45.161 20.239 1.00 0.00 C ATOM 308 CD PRO A 19 31.439 46.296 19.674 1.00 0.00 C ATOM 0 HA PRO A 19 33.777 44.658 21.017 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.321 43.430 21.342 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.674 44.961 22.118 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.215 44.499 19.459 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.724 45.529 20.789 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.054 46.635 18.713 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.438 47.159 20.340 1.00 0.00 H new ATOM 316 N SER A 20 32.824 43.262 18.297 1.00 0.00 N ATOM 317 CA SER A 20 33.069 42.176 17.370 1.00 0.00 C ATOM 318 C SER A 20 34.471 42.159 16.757 1.00 0.00 C ATOM 319 O SER A 20 34.789 41.210 16.046 1.00 0.00 O ATOM 320 CB SER A 20 32.031 42.240 16.253 1.00 0.00 C ATOM 321 OG SER A 20 30.732 42.236 16.800 1.00 0.00 O ATOM 0 H SER A 20 32.336 44.045 17.862 1.00 0.00 H new ATOM 0 HA SER A 20 32.990 41.257 17.950 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.181 43.141 15.658 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.154 41.390 15.582 1.00 0.00 H new ATOM 0 HG SER A 20 30.072 42.279 16.077 1.00 0.00 H new ATOM 327 N ASP A 21 35.308 43.165 16.998 1.00 0.00 N ATOM 328 CA ASP A 21 36.677 43.162 16.526 1.00 0.00 C ATOM 329 C ASP A 21 37.495 42.085 17.243 1.00 0.00 C ATOM 330 O ASP A 21 37.322 41.856 18.438 1.00 0.00 O ATOM 331 CB ASP A 21 37.334 44.532 16.667 1.00 0.00 C ATOM 332 CG ASP A 21 36.789 45.598 15.715 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.038 46.799 15.956 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.172 45.244 14.686 1.00 0.00 O ATOM 0 H ASP A 21 35.051 44.000 17.525 1.00 0.00 H new ATOM 0 HA ASP A 21 36.654 42.926 15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.205 44.879 17.692 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.406 44.426 16.498 1.00 0.00 H new ATOM 339 N THR A 22 38.388 41.422 16.515 1.00 0.00 N ATOM 340 CA THR A 22 39.261 40.412 17.079 1.00 0.00 C ATOM 341 C THR A 22 40.531 41.015 17.685 1.00 0.00 C ATOM 342 O THR A 22 40.936 42.116 17.317 1.00 0.00 O ATOM 343 CB THR A 22 39.610 39.280 16.117 1.00 0.00 C ATOM 344 OG1 THR A 22 40.506 39.690 15.108 1.00 0.00 O ATOM 345 CG2 THR A 22 38.370 38.676 15.465 1.00 0.00 C ATOM 0 H THR A 22 38.523 41.574 15.515 1.00 0.00 H new ATOM 0 HA THR A 22 38.675 39.963 17.881 1.00 0.00 H new ATOM 0 HB THR A 22 40.095 38.520 16.729 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.025 40.220 14.439 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.668 37.875 14.789 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.713 38.274 16.236 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.842 39.447 14.903 1.00 0.00 H new ATOM 353 N ILE A 23 41.205 40.277 18.561 1.00 0.00 N ATOM 354 CA ILE A 23 42.461 40.708 19.141 1.00 0.00 C ATOM 355 C ILE A 23 43.491 40.996 18.048 1.00 0.00 C ATOM 356 O ILE A 23 44.208 41.990 18.147 1.00 0.00 O ATOM 357 CB ILE A 23 42.927 39.713 20.199 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.296 39.969 21.565 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.435 39.738 20.436 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.772 39.965 21.644 1.00 0.00 C ATOM 0 H ILE A 23 40.891 39.363 18.886 1.00 0.00 H new ATOM 0 HA ILE A 23 42.322 41.654 19.664 1.00 0.00 H new ATOM 0 HB ILE A 23 42.618 38.751 19.789 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.672 39.215 22.257 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.650 40.935 21.924 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.695 39.006 21.200 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.953 39.494 19.509 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.735 40.732 20.769 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.460 40.159 22.670 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.372 40.740 20.990 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.394 38.993 21.328 1.00 0.00 H new ATOM 372 N GLU A 24 43.530 40.237 16.956 1.00 0.00 N ATOM 373 CA GLU A 24 44.430 40.518 15.855 1.00 0.00 C ATOM 374 C GLU A 24 44.015 41.722 15.009 1.00 0.00 C ATOM 375 O GLU A 24 44.885 42.441 14.523 1.00 0.00 O ATOM 376 CB GLU A 24 44.657 39.243 15.047 1.00 0.00 C ATOM 377 CG GLU A 24 45.872 39.335 14.128 1.00 0.00 C ATOM 378 CD GLU A 24 46.387 37.944 13.753 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.342 37.455 14.394 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.849 37.315 12.815 1.00 0.00 O ATOM 0 H GLU A 24 42.941 39.417 16.815 1.00 0.00 H new ATOM 0 HA GLU A 24 45.388 40.829 16.271 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.786 38.403 15.730 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.770 39.034 14.449 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.607 39.884 13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.664 39.898 14.622 1.00 0.00 H new ATOM 387 N ASN A 25 42.728 42.040 14.895 1.00 0.00 N ATOM 388 CA ASN A 25 42.293 43.312 14.356 1.00 0.00 C ATOM 389 C ASN A 25 42.748 44.480 15.236 1.00 0.00 C ATOM 390 O ASN A 25 43.155 45.516 14.717 1.00 0.00 O ATOM 391 CB ASN A 25 40.779 43.398 14.192 1.00 0.00 C ATOM 392 CG ASN A 25 40.136 42.410 13.217 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.315 41.589 13.620 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.405 42.504 11.918 1.00 0.00 N ATOM 0 H ASN A 25 41.966 41.422 15.174 1.00 0.00 H new ATOM 0 HA ASN A 25 42.756 43.381 13.372 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.322 43.256 15.171 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.529 44.408 13.867 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.929 41.894 11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.087 43.186 11.586 1.00 0.00 H new ATOM 401 N VAL A 26 42.703 44.330 16.557 1.00 0.00 N ATOM 402 CA VAL A 26 43.059 45.369 17.501 1.00 0.00 C ATOM 403 C VAL A 26 44.574 45.571 17.573 1.00 0.00 C ATOM 404 O VAL A 26 45.022 46.715 17.560 1.00 0.00 O ATOM 405 CB VAL A 26 42.424 45.113 18.866 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.876 46.109 19.930 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.906 45.234 18.762 1.00 0.00 C ATOM 0 H VAL A 26 42.411 43.461 17.004 1.00 0.00 H new ATOM 0 HA VAL A 26 42.648 46.311 17.139 1.00 0.00 H new ATOM 0 HB VAL A 26 42.738 44.112 19.161 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.390 45.875 20.877 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.957 46.046 20.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.603 47.119 19.623 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.459 45.050 19.739 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.643 46.237 18.425 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.531 44.501 18.048 1.00 0.00 H new ATOM 417 N LYS A 27 45.379 44.514 17.510 1.00 0.00 N ATOM 418 CA LYS A 27 46.817 44.624 17.367 1.00 0.00 C ATOM 419 C LYS A 27 47.222 45.327 16.070 1.00 0.00 C ATOM 420 O LYS A 27 48.174 46.104 16.067 1.00 0.00 O ATOM 421 CB LYS A 27 47.473 43.252 17.496 1.00 0.00 C ATOM 422 CG LYS A 27 47.401 42.694 18.914 1.00 0.00 C ATOM 423 CD LYS A 27 47.928 41.263 18.967 1.00 0.00 C ATOM 424 CE LYS A 27 47.909 40.753 20.405 1.00 0.00 C ATOM 425 NZ LYS A 27 48.339 39.348 20.471 1.00 0.00 N ATOM 0 H LYS A 27 45.043 43.552 17.558 1.00 0.00 H new ATOM 0 HA LYS A 27 47.181 45.254 18.179 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.988 42.556 16.811 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.517 43.323 17.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.983 43.324 19.586 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.370 42.719 19.266 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.317 40.618 18.336 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.943 41.226 18.573 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.565 41.367 21.021 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.904 40.849 20.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.936 38.901 21.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.008 38.844 19.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.377 39.304 20.517 1.00 0.00 H new ATOM 439 N ALA A 28 46.466 45.138 14.993 1.00 0.00 N ATOM 440 CA ALA A 28 46.627 45.915 13.780 1.00 0.00 C ATOM 441 C ALA A 28 46.184 47.372 13.925 1.00 0.00 C ATOM 442 O ALA A 28 46.857 48.249 13.389 1.00 0.00 O ATOM 443 CB ALA A 28 45.938 45.194 12.625 1.00 0.00 C ATOM 0 H ALA A 28 45.725 44.439 14.942 1.00 0.00 H new ATOM 0 HA ALA A 28 47.693 45.985 13.562 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.057 45.775 11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.387 44.210 12.490 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.877 45.081 12.848 1.00 0.00 H new ATOM 449 N LYS A 29 45.154 47.687 14.704 1.00 0.00 N ATOM 450 CA LYS A 29 44.792 49.050 15.037 1.00 0.00 C ATOM 451 C LYS A 29 45.856 49.750 15.886 1.00 0.00 C ATOM 452 O LYS A 29 46.066 50.951 15.730 1.00 0.00 O ATOM 453 CB LYS A 29 43.417 49.113 15.696 1.00 0.00 C ATOM 454 CG LYS A 29 42.271 48.887 14.715 1.00 0.00 C ATOM 455 CD LYS A 29 40.890 48.915 15.365 1.00 0.00 C ATOM 456 CE LYS A 29 39.810 48.824 14.291 1.00 0.00 C ATOM 457 NZ LYS A 29 38.448 48.946 14.834 1.00 0.00 N ATOM 0 H LYS A 29 44.542 46.988 15.125 1.00 0.00 H new ATOM 0 HA LYS A 29 44.737 49.599 14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.365 48.363 16.485 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.293 50.086 16.172 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.313 49.652 13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.411 47.925 14.222 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.791 48.085 16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.767 49.833 15.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.973 49.609 13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.903 47.871 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.776 49.098 14.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.197 48.074 15.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.406 49.753 15.489 1.00 0.00 H new ATOM 471 N ILE A 30 46.585 49.020 16.726 1.00 0.00 N ATOM 472 CA ILE A 30 47.749 49.508 17.438 1.00 0.00 C ATOM 473 C ILE A 30 48.912 49.767 16.478 1.00 0.00 C ATOM 474 O ILE A 30 49.552 50.812 16.571 1.00 0.00 O ATOM 475 CB ILE A 30 48.119 48.562 18.576 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.029 48.579 19.643 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.466 48.908 19.203 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.062 47.390 20.600 1.00 0.00 C ATOM 0 H ILE A 30 46.371 48.044 16.932 1.00 0.00 H new ATOM 0 HA ILE A 30 47.506 50.468 17.892 1.00 0.00 H new ATOM 0 HB ILE A 30 48.205 47.562 18.151 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.119 49.498 20.222 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.057 48.606 19.151 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.684 48.206 20.008 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.247 48.845 18.445 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.431 49.921 19.605 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.253 47.484 21.325 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.939 46.465 20.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.018 47.371 21.124 1.00 0.00 H new ATOM 490 N GLN A 31 49.166 48.891 15.508 1.00 0.00 N ATOM 491 CA GLN A 31 50.145 49.122 14.465 1.00 0.00 C ATOM 492 C GLN A 31 49.822 50.367 13.638 1.00 0.00 C ATOM 493 O GLN A 31 50.716 51.155 13.335 1.00 0.00 O ATOM 494 CB GLN A 31 50.248 47.871 13.598 1.00 0.00 C ATOM 495 CG GLN A 31 51.493 47.873 12.716 1.00 0.00 C ATOM 496 CD GLN A 31 51.570 46.644 11.809 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.589 45.977 11.490 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.764 46.268 11.359 1.00 0.00 N ATOM 0 H GLN A 31 48.689 47.993 15.429 1.00 0.00 H new ATOM 0 HA GLN A 31 51.114 49.317 14.925 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.262 46.989 14.238 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.361 47.795 12.969 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.498 48.774 12.103 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.381 47.911 13.347 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.595 46.804 11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.848 45.444 10.764 1.00 0.00 H new ATOM 507 N ASP A 32 48.545 50.624 13.367 1.00 0.00 N ATOM 508 CA ASP A 32 48.061 51.803 12.678 1.00 0.00 C ATOM 509 C ASP A 32 48.339 53.107 13.430 1.00 0.00 C ATOM 510 O ASP A 32 48.423 54.161 12.802 1.00 0.00 O ATOM 511 CB ASP A 32 46.569 51.611 12.418 1.00 0.00 C ATOM 512 CG ASP A 32 45.988 52.521 11.333 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.953 53.173 11.592 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.497 52.515 10.192 1.00 0.00 O ATOM 0 H ASP A 32 47.794 49.987 13.635 1.00 0.00 H new ATOM 0 HA ASP A 32 48.605 51.906 11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.394 50.573 12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.027 51.784 13.347 1.00 0.00 H new ATOM 519 N LYS A 33 48.551 53.057 14.742 1.00 0.00 N ATOM 520 CA LYS A 33 48.834 54.195 15.593 1.00 0.00 C ATOM 521 C LYS A 33 50.251 54.298 16.162 1.00 0.00 C ATOM 522 O LYS A 33 50.642 55.404 16.528 1.00 0.00 O ATOM 523 CB LYS A 33 47.790 54.277 16.703 1.00 0.00 C ATOM 524 CG LYS A 33 46.594 55.110 16.253 1.00 0.00 C ATOM 525 CD LYS A 33 45.629 55.422 17.394 1.00 0.00 C ATOM 526 CE LYS A 33 44.475 56.269 16.864 1.00 0.00 C ATOM 527 NZ LYS A 33 43.702 56.882 17.956 1.00 0.00 N ATOM 0 H LYS A 33 48.528 52.178 15.259 1.00 0.00 H new ATOM 0 HA LYS A 33 48.774 55.057 14.929 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.460 53.274 16.975 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.233 54.719 17.595 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.950 56.044 15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.060 54.576 15.467 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.247 54.497 17.826 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.150 55.954 18.190 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.867 57.050 16.212 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.817 55.648 16.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.897 57.408 17.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.350 56.138 18.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.312 57.534 18.490 1.00 0.00 H new ATOM 541 N GLU A 34 51.024 53.219 16.247 1.00 0.00 N ATOM 542 CA GLU A 34 52.354 53.203 16.821 1.00 0.00 C ATOM 543 C GLU A 34 53.393 52.406 16.029 1.00 0.00 C ATOM 544 O GLU A 34 54.565 52.405 16.399 1.00 0.00 O ATOM 545 CB GLU A 34 52.303 52.665 18.248 1.00 0.00 C ATOM 546 CG GLU A 34 51.629 53.579 19.268 1.00 0.00 C ATOM 547 CD GLU A 34 52.339 54.916 19.486 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.582 55.004 19.385 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.656 55.911 19.811 1.00 0.00 O ATOM 0 H GLU A 34 50.727 52.305 15.905 1.00 0.00 H new ATOM 0 HA GLU A 34 52.682 54.242 16.795 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.779 51.709 18.240 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.322 52.467 18.580 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.607 53.773 18.944 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.567 53.055 20.222 1.00 0.00 H new ATOM 556 N GLY A 35 53.016 51.711 14.961 1.00 0.00 N ATOM 557 CA GLY A 35 53.929 50.961 14.121 1.00 0.00 C ATOM 558 C GLY A 35 54.538 49.708 14.753 1.00 0.00 C ATOM 559 O GLY A 35 55.533 49.192 14.250 1.00 0.00 O ATOM 0 H GLY A 35 52.045 51.655 14.653 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.400 50.667 13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.740 51.623 13.817 1.00 0.00 H new ATOM 563 N ILE A 36 53.967 49.205 15.844 1.00 0.00 N ATOM 564 CA ILE A 36 54.436 48.038 16.565 1.00 0.00 C ATOM 565 C ILE A 36 53.967 46.772 15.844 1.00 0.00 C ATOM 566 O ILE A 36 52.759 46.624 15.673 1.00 0.00 O ATOM 567 CB ILE A 36 53.947 48.051 18.010 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.316 49.332 18.753 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.501 46.848 18.766 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.586 49.524 20.080 1.00 0.00 C ATOM 0 H ILE A 36 53.133 49.619 16.261 1.00 0.00 H new ATOM 0 HA ILE A 36 55.526 48.054 16.589 1.00 0.00 H new ATOM 0 HB ILE A 36 52.859 48.002 17.968 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.390 49.333 18.940 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.104 50.185 18.109 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.144 46.870 19.796 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.165 45.930 18.285 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.590 46.884 18.759 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.908 50.458 20.540 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.511 49.558 19.902 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.817 48.693 20.746 1.00 0.00 H new ATOM 582 N PRO A 37 54.834 45.835 15.470 1.00 0.00 N ATOM 583 CA PRO A 37 54.434 44.616 14.796 1.00 0.00 C ATOM 584 C PRO A 37 53.459 43.785 15.631 1.00 0.00 C ATOM 585 O PRO A 37 53.741 43.570 16.808 1.00 0.00 O ATOM 586 CB PRO A 37 55.713 43.823 14.544 1.00 0.00 C ATOM 587 CG PRO A 37 56.823 44.869 14.600 1.00 0.00 C ATOM 588 CD PRO A 37 56.275 45.880 15.604 1.00 0.00 C ATOM 0 HA PRO A 37 53.912 44.859 13.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.857 43.050 15.299 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.687 43.323 13.576 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.769 44.440 14.931 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.003 45.322 13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.580 45.627 16.619 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.655 46.880 15.397 1.00 0.00 H new ATOM 596 N PRO A 38 52.349 43.281 15.097 1.00 0.00 N ATOM 597 CA PRO A 38 51.394 42.521 15.878 1.00 0.00 C ATOM 598 C PRO A 38 51.964 41.266 16.542 1.00 0.00 C ATOM 599 O PRO A 38 51.545 40.942 17.651 1.00 0.00 O ATOM 600 CB PRO A 38 50.237 42.197 14.936 1.00 0.00 C ATOM 601 CG PRO A 38 50.267 43.378 13.970 1.00 0.00 C ATOM 602 CD PRO A 38 51.766 43.620 13.815 1.00 0.00 C ATOM 0 HA PRO A 38 51.071 43.120 16.729 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.384 41.247 14.422 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.287 42.129 15.466 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.791 43.140 13.019 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.752 44.250 14.374 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.183 43.003 13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.971 44.658 13.553 1.00 0.00 H new ATOM 610 N ASP A 39 52.968 40.612 15.966 1.00 0.00 N ATOM 611 CA ASP A 39 53.615 39.471 16.582 1.00 0.00 C ATOM 612 C ASP A 39 54.438 39.828 17.821 1.00 0.00 C ATOM 613 O ASP A 39 54.679 38.959 18.657 1.00 0.00 O ATOM 614 CB ASP A 39 54.441 38.688 15.566 1.00 0.00 C ATOM 615 CG ASP A 39 55.794 39.322 15.235 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.833 38.721 15.584 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.815 40.412 14.623 1.00 0.00 O ATOM 0 H ASP A 39 53.353 40.864 15.056 1.00 0.00 H new ATOM 0 HA ASP A 39 52.811 38.827 16.939 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.608 37.681 15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.865 38.588 14.646 1.00 0.00 H new ATOM 622 N GLN A 40 54.810 41.093 17.998 1.00 0.00 N ATOM 623 CA GLN A 40 55.507 41.584 19.170 1.00 0.00 C ATOM 624 C GLN A 40 54.560 41.905 20.327 1.00 0.00 C ATOM 625 O GLN A 40 55.013 42.009 21.465 1.00 0.00 O ATOM 626 CB GLN A 40 56.325 42.805 18.759 1.00 0.00 C ATOM 627 CG GLN A 40 57.499 43.101 19.687 1.00 0.00 C ATOM 628 CD GLN A 40 58.352 44.260 19.169 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.463 45.324 19.774 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.008 44.102 18.023 1.00 0.00 N ATOM 0 H GLN A 40 54.627 41.821 17.307 1.00 0.00 H new ATOM 0 HA GLN A 40 56.165 40.801 19.545 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.703 42.654 17.748 1.00 0.00 H new ATOM 0 HB3 GLN A 40 55.670 43.676 18.728 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.125 43.341 20.682 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.118 42.209 19.786 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.928 43.226 17.506 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.591 44.857 17.661 1.00 0.00 H new ATOM 639 N GLN A 41 53.264 42.067 20.072 1.00 0.00 N ATOM 640 CA GLN A 41 52.300 42.595 21.016 1.00 0.00 C ATOM 641 C GLN A 41 51.643 41.505 21.865 1.00 0.00 C ATOM 642 O GLN A 41 50.892 40.679 21.350 1.00 0.00 O ATOM 643 CB GLN A 41 51.221 43.385 20.280 1.00 0.00 C ATOM 644 CG GLN A 41 51.700 44.618 19.520 1.00 0.00 C ATOM 645 CD GLN A 41 50.544 45.306 18.791 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.436 45.423 19.311 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.707 45.771 17.556 1.00 0.00 N ATOM 0 H GLN A 41 52.849 41.825 19.172 1.00 0.00 H new ATOM 0 HA GLN A 41 52.850 43.249 21.692 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.726 42.717 19.575 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.469 43.698 21.004 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.163 45.319 20.215 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.466 44.329 18.800 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.614 45.690 17.096 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.925 46.209 17.069 1.00 0.00 H new ATOM 656 N ARG A 42 51.821 41.570 23.181 1.00 0.00 N ATOM 657 CA ARG A 42 50.937 40.967 24.157 1.00 0.00 C ATOM 658 C ARG A 42 49.863 41.981 24.556 1.00 0.00 C ATOM 659 O ARG A 42 50.206 43.120 24.864 1.00 0.00 O ATOM 660 CB ARG A 42 51.693 40.569 25.423 1.00 0.00 C ATOM 661 CG ARG A 42 52.927 39.692 25.233 1.00 0.00 C ATOM 662 CD ARG A 42 53.621 39.532 26.581 1.00 0.00 C ATOM 663 NE ARG A 42 54.802 38.671 26.503 1.00 0.00 N ATOM 664 CZ ARG A 42 54.816 37.334 26.414 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.699 36.595 26.447 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.980 36.686 26.270 1.00 0.00 N ATOM 0 H ARG A 42 52.609 42.060 23.604 1.00 0.00 H new ATOM 0 HA ARG A 42 50.499 40.077 23.705 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.998 41.480 25.938 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.001 40.046 26.083 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.641 38.718 24.836 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.605 40.144 24.509 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.914 40.513 26.954 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.917 39.114 27.301 1.00 0.00 H new ATOM 0 HE ARG A 42 55.709 39.137 26.518 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.790 37.048 26.543 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.757 35.579 26.376 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.854 37.210 26.228 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.992 35.668 26.202 1.00 0.00 H new ATOM 680 N LEU A 43 48.600 41.570 24.621 1.00 0.00 N ATOM 681 CA LEU A 43 47.533 42.337 25.230 1.00 0.00 C ATOM 682 C LEU A 43 46.987 41.601 26.455 1.00 0.00 C ATOM 683 O LEU A 43 46.819 40.385 26.408 1.00 0.00 O ATOM 684 CB LEU A 43 46.446 42.647 24.205 1.00 0.00 C ATOM 685 CG LEU A 43 46.838 43.718 23.191 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.794 43.792 22.081 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.931 45.101 23.830 1.00 0.00 C ATOM 0 H LEU A 43 48.290 40.675 24.242 1.00 0.00 H new ATOM 0 HA LEU A 43 47.927 43.293 25.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.192 41.731 23.671 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.547 42.970 24.730 1.00 0.00 H new ATOM 0 HG LEU A 43 47.815 43.438 22.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.081 44.559 21.362 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.730 42.828 21.577 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.824 44.043 22.510 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.213 45.833 23.073 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.964 45.371 24.255 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.683 45.087 24.619 1.00 0.00 H new ATOM 699 N ILE A 44 46.749 42.318 27.550 1.00 0.00 N ATOM 700 CA ILE A 44 46.476 41.748 28.854 1.00 0.00 C ATOM 701 C ILE A 44 45.267 42.413 29.513 1.00 0.00 C ATOM 702 O ILE A 44 45.229 43.631 29.672 1.00 0.00 O ATOM 703 CB ILE A 44 47.700 41.802 29.763 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.010 41.490 29.045 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.496 40.872 30.955 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.255 41.446 29.927 1.00 0.00 C ATOM 0 H ILE A 44 46.742 43.338 27.548 1.00 0.00 H new ATOM 0 HA ILE A 44 46.232 40.697 28.700 1.00 0.00 H new ATOM 0 HB ILE A 44 47.794 42.832 30.108 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.908 40.527 28.544 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.164 42.239 28.268 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.372 40.913 31.602 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.616 41.187 31.515 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.354 39.851 30.600 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.127 41.217 29.314 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.394 42.414 30.408 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.134 40.676 30.689 1.00 0.00 H new ATOM 718 N PHE A 45 44.292 41.612 29.933 1.00 0.00 N ATOM 719 CA PHE A 45 43.075 42.033 30.596 1.00 0.00 C ATOM 720 C PHE A 45 42.581 40.963 31.573 1.00 0.00 C ATOM 721 O PHE A 45 42.635 39.777 31.257 1.00 0.00 O ATOM 722 CB PHE A 45 42.016 42.318 29.535 1.00 0.00 C ATOM 723 CG PHE A 45 40.807 43.096 29.998 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.940 44.439 30.372 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.540 42.503 29.990 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.814 45.186 30.737 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.410 43.249 30.350 1.00 0.00 C ATOM 728 CZ PHE A 45 38.546 44.591 30.724 1.00 0.00 C ATOM 0 H PHE A 45 44.338 40.600 29.811 1.00 0.00 H new ATOM 0 HA PHE A 45 43.273 42.935 31.175 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.486 42.867 28.719 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.676 41.367 29.125 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.916 44.901 30.379 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.433 41.467 29.705 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.923 46.220 31.028 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.433 42.788 30.339 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.675 45.166 31.002 1.00 0.00 H new ATOM 738 N ALA A 46 42.090 41.364 32.742 1.00 0.00 N ATOM 739 CA ALA A 46 41.482 40.506 33.738 1.00 0.00 C ATOM 740 C ALA A 46 42.260 39.226 34.050 1.00 0.00 C ATOM 741 O ALA A 46 41.716 38.125 33.997 1.00 0.00 O ATOM 742 CB ALA A 46 40.022 40.276 33.356 1.00 0.00 C ATOM 0 H ALA A 46 42.109 42.343 33.028 1.00 0.00 H new ATOM 0 HA ALA A 46 41.519 41.022 34.697 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.549 39.631 34.097 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.500 41.232 33.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.973 39.800 32.377 1.00 0.00 H new ATOM 748 N GLY A 47 43.558 39.348 34.312 1.00 0.00 N ATOM 749 CA GLY A 47 44.427 38.242 34.660 1.00 0.00 C ATOM 750 C GLY A 47 44.850 37.328 33.508 1.00 0.00 C ATOM 751 O GLY A 47 45.513 36.322 33.748 1.00 0.00 O ATOM 0 H GLY A 47 44.042 40.246 34.286 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.326 38.646 35.125 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.924 37.635 35.413 1.00 0.00 H new ATOM 755 N LYS A 48 44.487 37.662 32.273 1.00 0.00 N ATOM 756 CA LYS A 48 44.681 36.856 31.084 1.00 0.00 C ATOM 757 C LYS A 48 45.448 37.638 30.016 1.00 0.00 C ATOM 758 O LYS A 48 45.115 38.786 29.732 1.00 0.00 O ATOM 759 CB LYS A 48 43.325 36.421 30.536 1.00 0.00 C ATOM 760 CG LYS A 48 42.572 35.468 31.459 1.00 0.00 C ATOM 761 CD LYS A 48 41.121 35.281 31.029 1.00 0.00 C ATOM 762 CE LYS A 48 40.259 36.486 31.393 1.00 0.00 C ATOM 763 NZ LYS A 48 39.749 36.410 32.771 1.00 0.00 N ATOM 0 H LYS A 48 44.026 38.549 32.070 1.00 0.00 H new ATOM 0 HA LYS A 48 45.267 35.976 31.350 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.712 37.305 30.362 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.471 35.939 29.569 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.074 34.501 31.469 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.601 35.853 32.478 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.080 35.117 29.952 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.714 34.388 31.503 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.844 37.398 31.274 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.420 36.553 30.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.776 36.776 32.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.756 35.420 33.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.353 36.980 33.397 1.00 0.00 H new ATOM 777 N GLN A 49 46.423 37.003 29.371 1.00 0.00 N ATOM 778 CA GLN A 49 46.921 37.447 28.084 1.00 0.00 C ATOM 779 C GLN A 49 45.981 36.960 26.979 1.00 0.00 C ATOM 780 O GLN A 49 45.624 35.785 26.953 1.00 0.00 O ATOM 781 CB GLN A 49 48.352 36.989 27.818 1.00 0.00 C ATOM 782 CG GLN A 49 49.333 37.375 28.922 1.00 0.00 C ATOM 783 CD GLN A 49 50.801 37.272 28.501 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.158 37.315 27.325 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.705 37.178 29.470 1.00 0.00 N ATOM 0 H GLN A 49 46.886 36.168 29.730 1.00 0.00 H new ATOM 0 HA GLN A 49 46.945 38.537 28.094 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.361 35.906 27.698 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.692 37.417 26.875 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.126 38.397 29.240 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.166 36.732 29.786 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.406 37.143 30.445 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.698 37.141 29.239 1.00 0.00 H new ATOM 794 N LEU A 50 45.554 37.855 26.093 1.00 0.00 N ATOM 795 CA LEU A 50 44.425 37.623 25.216 1.00 0.00 C ATOM 796 C LEU A 50 44.825 36.898 23.930 1.00 0.00 C ATOM 797 O LEU A 50 45.926 37.086 23.417 1.00 0.00 O ATOM 798 CB LEU A 50 43.695 38.938 24.952 1.00 0.00 C ATOM 799 CG LEU A 50 43.350 39.773 26.181 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.504 40.964 25.742 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.595 38.991 27.252 1.00 0.00 C ATOM 0 H LEU A 50 45.990 38.768 25.967 1.00 0.00 H new ATOM 0 HA LEU A 50 43.732 36.949 25.719 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.310 39.544 24.287 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.771 38.716 24.418 1.00 0.00 H new ATOM 0 HG LEU A 50 44.291 40.092 26.629 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.250 41.570 26.612 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.067 41.568 25.031 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.589 40.606 25.269 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.382 39.645 28.098 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.659 38.617 26.837 1.00 0.00 H new ATOM 0 HD23 LEU A 50 43.204 38.152 27.587 1.00 0.00 H new ATOM 813 N GLU A 51 43.931 36.054 23.422 1.00 0.00 N ATOM 814 CA GLU A 51 44.156 35.155 22.308 1.00 0.00 C ATOM 815 C GLU A 51 43.621 35.716 20.988 1.00 0.00 C ATOM 816 O GLU A 51 42.549 36.314 20.935 1.00 0.00 O ATOM 817 CB GLU A 51 43.615 33.768 22.644 1.00 0.00 C ATOM 818 CG GLU A 51 44.399 33.124 23.783 1.00 0.00 C ATOM 819 CD GLU A 51 43.816 31.769 24.190 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.954 30.798 23.415 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.217 31.663 25.282 1.00 0.00 O ATOM 0 H GLU A 51 42.986 35.980 23.799 1.00 0.00 H new ATOM 0 HA GLU A 51 45.230 35.057 22.150 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.564 33.844 22.922 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.666 33.132 21.760 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.438 32.995 23.479 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.399 33.791 24.645 1.00 0.00 H new ATOM 828 N ASP A 52 44.371 35.529 19.905 1.00 0.00 N ATOM 829 CA ASP A 52 44.275 36.334 18.703 1.00 0.00 C ATOM 830 C ASP A 52 43.011 36.116 17.869 1.00 0.00 C ATOM 831 O ASP A 52 42.568 37.042 17.194 1.00 0.00 O ATOM 832 CB ASP A 52 45.523 36.127 17.849 1.00 0.00 C ATOM 833 CG ASP A 52 46.778 36.725 18.488 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.632 35.948 18.971 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.945 37.963 18.499 1.00 0.00 O ATOM 0 H ASP A 52 45.077 34.795 19.843 1.00 0.00 H new ATOM 0 HA ASP A 52 44.204 37.367 19.044 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.675 35.060 17.687 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.368 36.579 16.869 1.00 0.00 H new ATOM 840 N GLY A 53 42.412 34.930 17.923 1.00 0.00 N ATOM 841 CA GLY A 53 41.181 34.593 17.236 1.00 0.00 C ATOM 842 C GLY A 53 39.893 34.978 17.967 1.00 0.00 C ATOM 843 O GLY A 53 38.810 34.822 17.408 1.00 0.00 O ATOM 0 H GLY A 53 42.788 34.154 18.467 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.184 35.080 16.261 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.168 33.518 17.055 1.00 0.00 H new ATOM 847 N ARG A 54 39.986 35.455 19.205 1.00 0.00 N ATOM 848 CA ARG A 54 38.865 35.856 20.032 1.00 0.00 C ATOM 849 C ARG A 54 38.437 37.299 19.756 1.00 0.00 C ATOM 850 O ARG A 54 39.220 38.087 19.232 1.00 0.00 O ATOM 851 CB ARG A 54 39.217 35.671 21.505 1.00 0.00 C ATOM 852 CG ARG A 54 39.705 34.282 21.906 1.00 0.00 C ATOM 853 CD ARG A 54 38.772 33.141 21.512 1.00 0.00 C ATOM 854 NE ARG A 54 37.447 33.245 22.123 1.00 0.00 N ATOM 855 CZ ARG A 54 37.070 32.678 23.276 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.906 32.018 24.089 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.804 32.743 23.713 1.00 0.00 N ATOM 0 H ARG A 54 40.884 35.575 19.674 1.00 0.00 H new ATOM 0 HA ARG A 54 38.017 35.218 19.781 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.988 36.395 21.768 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.337 35.912 22.102 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.681 34.109 21.452 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.848 34.260 22.986 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.665 33.125 20.427 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.225 32.193 21.801 1.00 0.00 H new ATOM 0 HE ARG A 54 36.748 33.798 21.627 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.891 31.926 23.842 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.557 31.608 24.955 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.099 33.234 23.163 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.546 32.301 24.595 1.00 0.00 H new ATOM 871 N THR A 55 37.209 37.645 20.133 1.00 0.00 N ATOM 872 CA THR A 55 36.658 38.981 20.037 1.00 0.00 C ATOM 873 C THR A 55 36.838 39.805 21.315 1.00 0.00 C ATOM 874 O THR A 55 37.083 39.267 22.392 1.00 0.00 O ATOM 875 CB THR A 55 35.183 38.964 19.651 1.00 0.00 C ATOM 876 OG1 THR A 55 34.437 38.220 20.589 1.00 0.00 O ATOM 877 CG2 THR A 55 34.932 38.369 18.269 1.00 0.00 C ATOM 0 H THR A 55 36.551 36.973 20.528 1.00 0.00 H new ATOM 0 HA THR A 55 37.231 39.464 19.246 1.00 0.00 H new ATOM 0 HB THR A 55 34.868 40.007 19.637 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.573 38.658 20.741 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.864 38.386 18.054 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.462 38.955 17.519 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.291 37.340 18.245 1.00 0.00 H new ATOM 885 N LEU A 56 36.640 41.118 21.232 1.00 0.00 N ATOM 886 CA LEU A 56 36.483 41.945 22.412 1.00 0.00 C ATOM 887 C LEU A 56 35.254 41.561 23.238 1.00 0.00 C ATOM 888 O LEU A 56 35.254 41.748 24.453 1.00 0.00 O ATOM 889 CB LEU A 56 36.440 43.419 22.021 1.00 0.00 C ATOM 890 CG LEU A 56 37.700 43.975 21.364 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.527 45.479 21.173 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.963 43.748 22.189 1.00 0.00 C ATOM 0 H LEU A 56 36.585 41.629 20.351 1.00 0.00 H new ATOM 0 HA LEU A 56 37.351 41.771 23.048 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.603 43.569 21.340 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.232 44.006 22.916 1.00 0.00 H new ATOM 0 HG LEU A 56 37.824 43.447 20.419 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.420 45.891 20.704 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.663 45.668 20.536 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.374 45.954 22.142 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.821 44.168 21.664 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.857 44.235 23.158 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.115 42.679 22.335 1.00 0.00 H new ATOM 904 N SER A 57 34.209 41.010 22.626 1.00 0.00 N ATOM 905 CA SER A 57 33.059 40.444 23.302 1.00 0.00 C ATOM 906 C SER A 57 33.349 39.137 24.044 1.00 0.00 C ATOM 907 O SER A 57 32.852 38.985 25.159 1.00 0.00 O ATOM 908 CB SER A 57 31.877 40.313 22.346 1.00 0.00 C ATOM 909 OG SER A 57 32.234 39.762 21.099 1.00 0.00 O ATOM 0 H SER A 57 34.143 40.946 21.610 1.00 0.00 H new ATOM 0 HA SER A 57 32.790 41.152 24.086 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.112 39.688 22.807 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.434 41.296 22.189 1.00 0.00 H new ATOM 0 HG SER A 57 31.439 39.700 20.529 1.00 0.00 H new ATOM 915 N ASP A 58 34.211 38.258 23.541 1.00 0.00 N ATOM 916 CA ASP A 58 34.668 37.076 24.243 1.00 0.00 C ATOM 917 C ASP A 58 35.344 37.394 25.579 1.00 0.00 C ATOM 918 O ASP A 58 35.259 36.600 26.514 1.00 0.00 O ATOM 919 CB ASP A 58 35.654 36.288 23.387 1.00 0.00 C ATOM 920 CG ASP A 58 35.037 35.443 22.269 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.070 34.696 22.531 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.641 35.326 21.181 1.00 0.00 O ATOM 0 H ASP A 58 34.617 38.356 22.611 1.00 0.00 H new ATOM 0 HA ASP A 58 33.772 36.488 24.444 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.359 36.989 22.940 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.228 35.630 24.040 1.00 0.00 H new ATOM 927 N TYR A 59 35.970 38.561 25.693 1.00 0.00 N ATOM 928 CA TYR A 59 36.632 39.049 26.887 1.00 0.00 C ATOM 929 C TYR A 59 35.879 40.163 27.616 1.00 0.00 C ATOM 930 O TYR A 59 36.424 40.732 28.559 1.00 0.00 O ATOM 931 CB TYR A 59 38.069 39.432 26.540 1.00 0.00 C ATOM 932 CG TYR A 59 38.951 38.268 26.153 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.262 37.293 27.107 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.513 38.201 24.872 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.151 36.258 26.794 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.421 37.184 24.559 1.00 0.00 C ATOM 937 CZ TYR A 59 40.751 36.208 25.521 1.00 0.00 C ATOM 938 OH TYR A 59 41.671 35.245 25.223 1.00 0.00 O ATOM 0 H TYR A 59 36.029 39.219 24.916 1.00 0.00 H new ATOM 0 HA TYR A 59 36.642 38.236 27.613 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.053 40.148 25.718 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.513 39.939 27.396 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.814 37.339 28.089 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.245 38.934 24.126 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.376 35.499 27.528 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.870 37.146 23.578 1.00 0.00 H new ATOM 0 HH TYR A 59 41.286 34.612 24.582 1.00 0.00 H new ATOM 948 N ASN A 60 34.643 40.477 27.239 1.00 0.00 N ATOM 949 CA ASN A 60 33.807 41.486 27.856 1.00 0.00 C ATOM 950 C ASN A 60 34.452 42.871 27.958 1.00 0.00 C ATOM 951 O ASN A 60 34.239 43.610 28.916 1.00 0.00 O ATOM 952 CB ASN A 60 33.265 40.939 29.174 1.00 0.00 C ATOM 953 CG ASN A 60 32.158 41.784 29.806 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.426 42.513 29.141 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.015 41.690 31.125 1.00 0.00 N ATOM 0 H ASN A 60 34.181 40.010 26.459 1.00 0.00 H new ATOM 0 HA ASN A 60 32.963 41.683 27.195 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.884 39.932 29.005 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.089 40.853 29.883 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.289 42.228 31.599 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.631 41.080 31.663 1.00 0.00 H new ATOM 962 N ILE A 61 35.262 43.259 26.977 1.00 0.00 N ATOM 963 CA ILE A 61 35.943 44.538 26.933 1.00 0.00 C ATOM 964 C ILE A 61 34.956 45.601 26.446 1.00 0.00 C ATOM 965 O ILE A 61 34.675 45.685 25.252 1.00 0.00 O ATOM 966 CB ILE A 61 37.203 44.415 26.082 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.218 43.494 26.754 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.850 45.770 25.807 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.271 42.931 25.804 1.00 0.00 C ATOM 0 H ILE A 61 35.465 42.670 26.169 1.00 0.00 H new ATOM 0 HA ILE A 61 36.280 44.851 27.921 1.00 0.00 H new ATOM 0 HB ILE A 61 36.896 43.989 25.127 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.719 44.043 27.551 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.687 42.666 27.223 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.743 45.630 25.198 1.00 0.00 H new ATOM 0 HG22 ILE A 61 37.145 46.409 25.275 1.00 0.00 H new ATOM 0 HG23 ILE A 61 38.125 46.240 26.751 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.954 42.287 26.358 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.782 42.352 25.020 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.830 43.751 25.354 1.00 0.00 H new ATOM 981 N GLN A 62 34.381 46.372 27.365 1.00 0.00 N ATOM 982 CA GLN A 62 33.422 47.421 27.085 1.00 0.00 C ATOM 983 C GLN A 62 34.081 48.796 26.951 1.00 0.00 C ATOM 984 O GLN A 62 35.266 48.953 27.232 1.00 0.00 O ATOM 985 CB GLN A 62 32.337 47.411 28.157 1.00 0.00 C ATOM 986 CG GLN A 62 31.561 46.105 28.303 1.00 0.00 C ATOM 987 CD GLN A 62 30.909 45.587 27.020 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.607 46.318 26.079 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.671 44.282 26.925 1.00 0.00 N ATOM 0 H GLN A 62 34.582 46.275 28.360 1.00 0.00 H new ATOM 0 HA GLN A 62 32.965 47.220 26.116 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.798 47.647 29.116 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.629 48.210 27.938 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.238 45.339 28.682 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.785 46.245 29.055 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.916 43.661 27.697 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.244 43.902 26.080 1.00 0.00 H new ATOM 998 N LYS A 63 33.315 49.803 26.540 1.00 0.00 N ATOM 999 CA LYS A 63 33.766 51.168 26.365 1.00 0.00 C ATOM 1000 C LYS A 63 34.527 51.726 27.570 1.00 0.00 C ATOM 1001 O LYS A 63 34.164 51.489 28.719 1.00 0.00 O ATOM 1002 CB LYS A 63 32.581 52.045 25.973 1.00 0.00 C ATOM 1003 CG LYS A 63 31.564 52.308 27.081 1.00 0.00 C ATOM 1004 CD LYS A 63 30.331 52.994 26.501 1.00 0.00 C ATOM 1005 CE LYS A 63 29.437 53.552 27.605 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.381 54.397 27.030 1.00 0.00 N ATOM 0 H LYS A 63 32.328 49.679 26.313 1.00 0.00 H new ATOM 0 HA LYS A 63 34.499 51.172 25.558 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.962 53.003 25.618 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.066 51.576 25.135 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.279 51.369 27.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.009 52.934 27.854 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.640 53.801 25.837 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.767 52.283 25.897 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.990 52.733 28.169 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.035 54.133 28.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.781 54.770 27.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.813 55.188 26.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.801 53.832 26.378 1.00 0.00 H new ATOM 1020 N GLU A 64 35.595 52.473 27.303 1.00 0.00 N ATOM 1021 CA GLU A 64 36.514 53.043 28.268 1.00 0.00 C ATOM 1022 C GLU A 64 37.268 52.053 29.158 1.00 0.00 C ATOM 1023 O GLU A 64 37.975 52.475 30.071 1.00 0.00 O ATOM 1024 CB GLU A 64 35.866 54.171 29.065 1.00 0.00 C ATOM 1025 CG GLU A 64 35.468 55.375 28.216 1.00 0.00 C ATOM 1026 CD GLU A 64 34.655 56.398 29.013 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.864 56.576 30.232 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.782 57.047 28.397 1.00 0.00 O ATOM 0 H GLU A 64 35.853 52.708 26.344 1.00 0.00 H new ATOM 0 HA GLU A 64 37.308 53.465 27.653 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.980 53.785 29.569 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.557 54.498 29.842 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.365 55.853 27.822 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.885 55.037 27.359 1.00 0.00 H new ATOM 1035 N SER A 65 37.216 50.753 28.883 1.00 0.00 N ATOM 1036 CA SER A 65 38.094 49.788 29.514 1.00 0.00 C ATOM 1037 C SER A 65 39.561 50.033 29.152 1.00 0.00 C ATOM 1038 O SER A 65 39.855 50.502 28.055 1.00 0.00 O ATOM 1039 CB SER A 65 37.734 48.354 29.140 1.00 0.00 C ATOM 1040 OG SER A 65 36.394 48.057 29.463 1.00 0.00 O ATOM 0 H SER A 65 36.562 50.344 28.215 1.00 0.00 H new ATOM 0 HA SER A 65 37.958 49.922 30.587 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.894 48.204 28.072 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.397 47.663 29.661 1.00 0.00 H new ATOM 0 HG SER A 65 35.814 48.303 28.712 1.00 0.00 H new ATOM 1046 N THR A 66 40.488 49.671 30.033 1.00 0.00 N ATOM 1047 CA THR A 66 41.916 49.733 29.792 1.00 0.00 C ATOM 1048 C THR A 66 42.521 48.327 29.770 1.00 0.00 C ATOM 1049 O THR A 66 42.286 47.539 30.683 1.00 0.00 O ATOM 1050 CB THR A 66 42.639 50.598 30.820 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.144 51.918 30.790 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.135 50.719 30.547 1.00 0.00 C ATOM 0 H THR A 66 40.254 49.317 30.960 1.00 0.00 H new ATOM 0 HA THR A 66 42.053 50.199 28.816 1.00 0.00 H new ATOM 0 HB THR A 66 42.468 50.107 31.778 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.617 52.460 31.456 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.595 51.346 31.311 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.590 49.729 30.568 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.291 51.169 29.567 1.00 0.00 H new ATOM 1060 N LEU A 67 43.336 48.030 28.763 1.00 0.00 N ATOM 1061 CA LEU A 67 44.196 46.864 28.707 1.00 0.00 C ATOM 1062 C LEU A 67 45.644 47.282 28.968 1.00 0.00 C ATOM 1063 O LEU A 67 46.003 48.439 28.755 1.00 0.00 O ATOM 1064 CB LEU A 67 44.096 46.165 27.355 1.00 0.00 C ATOM 1065 CG LEU A 67 42.767 45.498 27.011 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.661 46.474 26.619 1.00 0.00 C ATOM 1067 CD2 LEU A 67 43.004 44.565 25.826 1.00 0.00 C ATOM 0 H LEU A 67 43.415 48.620 27.935 1.00 0.00 H new ATOM 0 HA LEU A 67 43.870 46.162 29.474 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.317 46.898 26.579 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.877 45.406 27.309 1.00 0.00 H new ATOM 0 HG LEU A 67 42.432 44.980 27.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.751 45.920 26.390 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.471 47.159 27.445 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.971 47.041 25.741 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.069 44.073 25.557 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.368 45.142 24.976 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.745 43.813 26.098 1.00 0.00 H new ATOM 1079 N HIS A 68 46.493 46.332 29.348 1.00 0.00 N ATOM 1080 CA HIS A 68 47.932 46.508 29.389 1.00 0.00 C ATOM 1081 C HIS A 68 48.560 45.887 28.140 1.00 0.00 C ATOM 1082 O HIS A 68 48.108 44.845 27.670 1.00 0.00 O ATOM 1083 CB HIS A 68 48.456 45.952 30.710 1.00 0.00 C ATOM 1084 CG HIS A 68 49.928 46.144 30.952 1.00 0.00 C ATOM 1085 ND1 HIS A 68 50.704 47.207 30.494 1.00 0.00 N ATOM 1086 CD2 HIS A 68 50.714 45.313 31.707 1.00 0.00 C ATOM 1087 CE1 HIS A 68 51.946 46.967 30.920 1.00 0.00 C ATOM 1088 NE2 HIS A 68 51.985 45.850 31.665 1.00 0.00 N ATOM 0 H HIS A 68 46.190 45.403 29.640 1.00 0.00 H new ATOM 0 HA HIS A 68 48.213 47.561 29.364 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.907 46.422 31.526 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.235 44.885 30.749 1.00 0.00 H new ATOM 0 HD1 HIS A 68 50.387 48.006 29.945 1.00 0.00 H new ATOM 0 HD2 HIS A 68 50.402 44.420 32.229 1.00 0.00 H new ATOM 0 HE1 HIS A 68 52.802 47.586 30.696 1.00 0.00 H new ATOM 1096 N LEU A 69 49.571 46.548 27.582 1.00 0.00 N ATOM 1097 CA LEU A 69 50.235 46.236 26.333 1.00 0.00 C ATOM 1098 C LEU A 69 51.732 46.062 26.599 1.00 0.00 C ATOM 1099 O LEU A 69 52.408 47.007 26.998 1.00 0.00 O ATOM 1100 CB LEU A 69 49.922 47.348 25.336 1.00 0.00 C ATOM 1101 CG LEU A 69 50.761 47.391 24.063 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.642 46.133 23.205 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.318 48.577 23.212 1.00 0.00 C ATOM 0 H LEU A 69 49.971 47.373 28.028 1.00 0.00 H new ATOM 0 HA LEU A 69 49.880 45.300 25.902 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.874 47.261 25.049 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.034 48.304 25.848 1.00 0.00 H new ATOM 0 HG LEU A 69 51.799 47.475 24.385 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.266 46.237 22.318 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.971 45.268 23.780 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.604 45.995 22.904 1.00 0.00 H new ATOM 0 HD21 LEU A 69 50.914 48.613 22.300 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.265 48.466 22.953 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.458 49.500 23.774 1.00 0.00 H new ATOM 1115 N VAL A 70 52.252 44.860 26.366 1.00 0.00 N ATOM 1116 CA VAL A 70 53.618 44.482 26.669 1.00 0.00 C ATOM 1117 C VAL A 70 54.284 43.896 25.423 1.00 0.00 C ATOM 1118 O VAL A 70 53.673 43.126 24.685 1.00 0.00 O ATOM 1119 CB VAL A 70 53.677 43.512 27.845 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.103 43.098 28.196 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.060 44.122 29.100 1.00 0.00 C ATOM 0 H VAL A 70 51.712 44.102 25.948 1.00 0.00 H new ATOM 0 HA VAL A 70 54.169 45.374 26.966 1.00 0.00 H new ATOM 0 HB VAL A 70 53.114 42.636 27.522 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.084 42.408 29.039 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.562 42.609 27.337 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.683 43.981 28.463 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.118 43.405 29.919 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.604 45.027 29.370 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.016 44.370 28.908 1.00 0.00 H new ATOM 1131 N LEU A 71 55.547 44.242 25.189 1.00 0.00 N ATOM 1132 CA LEU A 71 56.327 43.722 24.084 1.00 0.00 C ATOM 1133 C LEU A 71 56.997 42.400 24.462 1.00 0.00 C ATOM 1134 O LEU A 71 57.603 42.282 25.525 1.00 0.00 O ATOM 1135 CB LEU A 71 57.333 44.765 23.607 1.00 0.00 C ATOM 1136 CG LEU A 71 56.736 46.120 23.235 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.849 47.101 22.874 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.752 46.044 22.072 1.00 0.00 C ATOM 0 H LEU A 71 56.060 44.902 25.774 1.00 0.00 H new ATOM 0 HA LEU A 71 55.658 43.509 23.250 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.075 44.916 24.391 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.861 44.368 22.740 1.00 0.00 H new ATOM 0 HG LEU A 71 56.185 46.462 24.111 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.413 48.065 22.610 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.515 47.226 23.728 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.414 46.714 22.026 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.364 47.040 21.858 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.261 45.655 21.190 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.927 45.382 22.336 1.00 0.00 H new ATOM 1150 N ARG A 72 56.917 41.421 23.566 1.00 0.00 N ATOM 1151 CA ARG A 72 57.653 40.174 23.642 1.00 0.00 C ATOM 1152 C ARG A 72 59.161 40.420 23.566 1.00 0.00 C ATOM 1153 O ARG A 72 59.604 41.362 22.913 1.00 0.00 O ATOM 1154 CB ARG A 72 57.186 39.203 22.562 1.00 0.00 C ATOM 1155 CG ARG A 72 55.765 38.698 22.792 1.00 0.00 C ATOM 1156 CD ARG A 72 55.401 37.588 21.810 1.00 0.00 C ATOM 1157 NE ARG A 72 54.098 36.996 22.115 1.00 0.00 N ATOM 1158 CZ ARG A 72 52.916 37.232 21.530 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.752 38.081 20.506 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.842 36.572 21.983 1.00 0.00 N ATOM 0 H ARG A 72 56.318 41.481 22.743 1.00 0.00 H new ATOM 0 HA ARG A 72 57.448 39.715 24.609 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.239 39.695 21.591 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.867 38.353 22.526 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.670 38.328 23.813 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.062 39.524 22.686 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.389 37.989 20.797 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.167 36.813 21.837 1.00 0.00 H new ATOM 0 HE ARG A 72 54.088 36.314 22.873 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.553 38.589 20.131 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.826 38.219 20.101 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.937 35.911 22.754 1.00 0.00 H new ATOM 0 HH22 ARG A 72 50.929 36.731 21.557 1.00 0.00 H new ATOM 1174 N LEU A 73 59.942 39.566 24.221 1.00 0.00 N ATOM 1175 CA LEU A 73 61.389 39.649 24.259 1.00 0.00 C ATOM 1176 C LEU A 73 62.023 39.154 22.958 1.00 0.00 C ATOM 1177 O LEU A 73 61.411 38.402 22.203 1.00 0.00 O ATOM 1178 CB LEU A 73 61.915 38.863 25.457 1.00 0.00 C ATOM 1179 CG LEU A 73 61.379 39.273 26.825 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.019 38.407 27.907 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.669 40.734 27.158 1.00 0.00 C ATOM 0 H LEU A 73 59.571 38.778 24.752 1.00 0.00 H new ATOM 0 HA LEU A 73 61.668 40.697 24.366 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.685 37.809 25.302 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.001 38.953 25.475 1.00 0.00 H new ATOM 0 HG LEU A 73 60.298 39.137 26.791 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.635 38.702 28.884 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.779 37.360 27.724 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.101 38.541 27.887 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.265 40.970 28.142 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.746 40.900 27.159 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.203 41.377 26.411 1.00 0.00 H new ATOM 1193 N ARG A 74 63.278 39.525 22.726 1.00 0.00 N ATOM 1194 CA ARG A 74 64.123 39.042 21.652 1.00 0.00 C ATOM 1195 C ARG A 74 63.513 39.158 20.254 1.00 0.00 C ATOM 1196 O ARG A 74 63.734 38.296 19.406 1.00 0.00 O ATOM 1197 CB ARG A 74 64.646 37.645 21.974 1.00 0.00 C ATOM 1198 CG ARG A 74 65.374 37.514 23.308 1.00 0.00 C ATOM 1199 CD ARG A 74 65.941 36.106 23.472 1.00 0.00 C ATOM 1200 NE ARG A 74 66.617 35.926 24.756 1.00 0.00 N ATOM 1201 CZ ARG A 74 66.051 35.639 25.937 1.00 0.00 C ATOM 1202 NH1 ARG A 74 64.726 35.499 26.088 1.00 0.00 N ATOM 1203 NH2 ARG A 74 66.796 35.472 27.039 1.00 0.00 N ATOM 0 H ARG A 74 63.753 40.207 23.317 1.00 0.00 H new ATOM 0 HA ARG A 74 64.976 39.718 21.601 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.806 36.950 21.967 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.323 37.336 21.177 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.180 38.246 23.362 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.688 37.734 24.126 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.134 35.379 23.384 1.00 0.00 H new ATOM 0 HD3 ARG A 74 66.643 35.903 22.663 1.00 0.00 H new ATOM 0 HE ARG A 74 67.632 36.030 24.753 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.107 35.611 25.285 1.00 0.00 H new ATOM 0 HH12 ARG A 74 64.338 35.280 27.005 1.00 0.00 H new ATOM 0 HH21 ARG A 74 67.811 35.563 26.987 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.348 35.254 27.929 1.00 0.00 H new ATOM 1217 N GLY A 75 62.711 40.191 20.016 1.00 0.00 N ATOM 1218 CA GLY A 75 61.893 40.379 18.834 1.00 0.00 C ATOM 1219 C GLY A 75 62.458 41.300 17.751 1.00 0.00 C ATOM 1220 O GLY A 75 61.863 41.375 16.679 1.00 0.00 O ATOM 0 H GLY A 75 62.613 40.958 20.681 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.708 39.402 18.388 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.927 40.774 19.147 1.00 0.00 H new ATOM 1224 N GLY A 76 63.586 41.966 17.980 1.00 0.00 N ATOM 1225 CA GLY A 76 64.223 42.889 17.064 1.00 0.00 C ATOM 1226 C GLY A 76 63.789 44.347 17.228 1.00 0.00 C ATOM 1227 O GLY A 76 64.329 45.017 18.135 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.964 44.829 16.422 1.00 0.00 O ATOM 0 H GLY A 76 64.101 41.867 18.855 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.303 42.827 17.198 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.010 42.573 16.043 1.00 0.00 H new TER 1232 GLY A 76