USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 814 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 61 THR OG1 : rot 180:sc= 0.00459 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -160:sc= 0.0852 (180deg=0) USER MOD Set 2.2: A 35 ASN : amide:sc= 1.43 K(o=1.5,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 107:sc= 1.31 USER MOD Single : A 8 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.3) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= -0.0064 (180deg=-0.0912) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 0.82 K(o=0.82,f=-2.5!) USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.542 USER MOD Single : A 14 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.055) USER MOD Single : A 15 THR OG1 : rot -123:sc= 0.144 USER MOD Single : A 22 ASN : amide:sc= -0.273 K(o=-0.27,f=-2.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 27 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.5) USER MOD Single : A 30 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.0047) USER MOD Single : A 34 LYS NZ :NH3+ 128:sc= 0.0279 (180deg=-0.0994) USER MOD Single : A 36 THR OG1 : rot -42:sc= 1.24 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -6:sc= 0.445 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0.774) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0343 (180deg=-0.296) USER MOD Single : A 55 SER OG : rot -116:sc= 0.556 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.307 K(o=0.31,f=-4.8!) USER MOD Single : A 60 THR OG1 : rot 110:sc= 0.534 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -131:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00941 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 1.29 (180deg=0.756) USER MOD Single : A 78 TYR OH : rot -135:sc= -2.93! USER MOD Single : A 79 LYS NZ :NH3+ 173:sc=-0.00169 (180deg=-0.0741) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.111 K(o=0.11,f=-7.7!) USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= -0.0629 (180deg=-0.414) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -2.26! C(o=-2.3!,f=-5.3!) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -1.05 F(o=-3!,f=-1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.428 10.647 0.128 1.00 0.48 N ATOM 38 CA ASP A 3 -6.707 10.333 -0.480 1.00 0.44 C ATOM 39 C ASP A 3 -6.497 9.159 -1.418 1.00 0.32 C ATOM 40 O ASP A 3 -5.407 8.598 -1.439 1.00 0.32 O ATOM 41 CB ASP A 3 -7.241 11.539 -1.259 1.00 0.55 C ATOM 42 CG ASP A 3 -6.506 11.749 -2.569 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.316 12.129 -2.537 1.00 1.67 O ATOM 44 OD2 ASP A 3 -7.113 11.520 -3.633 1.00 1.97 O ATOM 0 HA ASP A 3 -7.437 10.083 0.290 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.303 11.398 -1.459 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.149 12.435 -0.645 1.00 0.55 H new ATOM 49 N TRP A 4 -7.505 8.799 -2.200 1.00 0.32 N ATOM 50 CA TRP A 4 -7.396 7.653 -3.099 1.00 0.27 C ATOM 51 C TRP A 4 -6.237 7.810 -4.088 1.00 0.24 C ATOM 52 O TRP A 4 -5.460 6.878 -4.300 1.00 0.25 O ATOM 53 CB TRP A 4 -8.704 7.433 -3.865 1.00 0.29 C ATOM 54 CG TRP A 4 -8.610 6.324 -4.866 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.856 6.404 -6.207 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.215 4.971 -4.610 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.645 5.180 -6.797 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.250 4.286 -5.836 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.838 4.274 -3.460 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.920 2.940 -5.944 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.512 2.935 -3.568 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.556 2.281 -4.800 1.00 0.22 C ATOM 0 H TRP A 4 -8.404 9.279 -2.232 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.194 6.781 -2.477 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.502 7.210 -3.156 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.980 8.355 -4.376 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.170 7.297 -6.727 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.763 4.971 -7.788 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.802 4.773 -2.503 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.950 2.432 -6.897 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.219 2.386 -2.685 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.298 1.234 -4.852 1.00 0.22 H new ATOM 73 N LEU A 5 -6.116 8.988 -4.685 1.00 0.28 N ATOM 74 CA LEU A 5 -5.097 9.229 -5.696 1.00 0.32 C ATOM 75 C LEU A 5 -3.700 9.147 -5.086 1.00 0.32 C ATOM 76 O LEU A 5 -2.773 8.613 -5.697 1.00 0.35 O ATOM 77 CB LEU A 5 -5.315 10.592 -6.371 1.00 0.42 C ATOM 78 CG LEU A 5 -6.526 10.689 -7.317 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.427 9.659 -8.428 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.840 10.527 -6.563 1.00 0.84 C ATOM 0 H LEU A 5 -6.712 9.792 -4.486 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.182 8.453 -6.457 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.425 11.347 -5.593 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.417 10.844 -6.935 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.513 11.685 -7.760 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.293 9.747 -9.084 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.517 9.831 -9.004 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.399 8.659 -7.995 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.673 10.601 -7.263 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.862 9.553 -6.075 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.927 11.311 -5.811 1.00 0.84 H new ATOM 92 N THR A 6 -3.561 9.658 -3.872 1.00 0.34 N ATOM 93 CA THR A 6 -2.294 9.611 -3.160 1.00 0.40 C ATOM 94 C THR A 6 -2.023 8.202 -2.626 1.00 0.35 C ATOM 95 O THR A 6 -0.888 7.718 -2.651 1.00 0.37 O ATOM 96 CB THR A 6 -2.293 10.622 -2.000 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.702 11.905 -2.488 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.915 10.734 -1.373 1.00 0.61 C ATOM 0 H THR A 6 -4.315 10.112 -3.357 1.00 0.34 H new ATOM 0 HA THR A 6 -1.502 9.875 -3.860 1.00 0.40 H new ATOM 0 HB THR A 6 -2.989 10.272 -1.237 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.612 12.097 -2.180 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.944 11.455 -0.556 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.611 9.761 -0.987 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.199 11.066 -2.125 1.00 0.61 H new ATOM 106 N PHE A 7 -3.083 7.549 -2.163 1.00 0.29 N ATOM 107 CA PHE A 7 -3.008 6.186 -1.650 1.00 0.26 C ATOM 108 C PHE A 7 -2.469 5.252 -2.724 1.00 0.23 C ATOM 109 O PHE A 7 -1.647 4.378 -2.444 1.00 0.24 O ATOM 110 CB PHE A 7 -4.406 5.731 -1.205 1.00 0.24 C ATOM 111 CG PHE A 7 -4.450 4.388 -0.526 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.497 3.223 -1.275 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.429 4.292 0.857 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.528 1.986 -0.658 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.460 3.058 1.479 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.550 1.912 0.734 1.00 0.27 C ATOM 0 H PHE A 7 -4.020 7.951 -2.133 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.332 6.158 -0.795 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.816 6.479 -0.526 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.058 5.702 -2.078 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.510 3.282 -2.353 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.388 5.191 1.454 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.535 1.083 -1.251 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.413 2.997 2.556 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.638 0.953 1.224 1.00 0.27 H new ATOM 126 N GLN A 8 -2.937 5.455 -3.951 1.00 0.23 N ATOM 127 CA GLN A 8 -2.502 4.667 -5.089 1.00 0.24 C ATOM 128 C GLN A 8 -0.993 4.705 -5.260 1.00 0.24 C ATOM 129 O GLN A 8 -0.328 3.684 -5.143 1.00 0.25 O ATOM 130 CB GLN A 8 -3.150 5.186 -6.359 1.00 0.27 C ATOM 131 CG GLN A 8 -4.517 4.594 -6.649 1.00 0.27 C ATOM 132 CD GLN A 8 -5.128 5.134 -7.929 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.926 4.583 -9.012 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.880 6.214 -7.813 1.00 0.45 N ATOM 0 H GLN A 8 -3.627 6.170 -4.180 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.804 3.636 -4.902 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.244 6.270 -6.289 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.490 4.977 -7.201 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.431 3.510 -6.721 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.185 4.806 -5.814 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.023 6.640 -6.897 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.318 6.622 -8.639 1.00 0.45 H new ATOM 143 N LYS A 9 -0.464 5.893 -5.526 1.00 0.26 N ATOM 144 CA LYS A 9 0.961 6.074 -5.800 1.00 0.29 C ATOM 145 C LYS A 9 1.816 5.410 -4.727 1.00 0.29 C ATOM 146 O LYS A 9 2.855 4.816 -5.007 1.00 0.33 O ATOM 147 CB LYS A 9 1.287 7.566 -5.828 1.00 0.32 C ATOM 148 CG LYS A 9 0.328 8.390 -6.666 1.00 0.33 C ATOM 149 CD LYS A 9 0.433 9.866 -6.328 1.00 0.67 C ATOM 150 CE LYS A 9 -0.648 10.679 -7.023 1.00 1.20 C ATOM 151 NZ LYS A 9 -0.586 10.546 -8.502 1.00 1.88 N ATOM 0 H LYS A 9 -1.006 6.756 -5.558 1.00 0.26 H new ATOM 0 HA LYS A 9 1.182 5.614 -6.763 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.282 7.948 -4.807 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.298 7.700 -6.214 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.544 8.240 -7.724 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.693 8.047 -6.498 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.352 9.999 -5.249 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.414 10.238 -6.622 1.00 0.67 H new ATOM 0 HE2 LYS A 9 -1.627 10.354 -6.671 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -0.543 11.729 -6.749 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -1.249 11.218 -8.939 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 0.380 10.750 -8.829 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -0.846 9.577 -8.775 1.00 1.88 H new ATOM 165 N LYS A 10 1.351 5.522 -3.499 1.00 0.28 N ATOM 166 CA LYS A 10 2.148 5.154 -2.341 1.00 0.30 C ATOM 167 C LYS A 10 1.932 3.708 -1.891 1.00 0.26 C ATOM 168 O LYS A 10 2.654 3.219 -1.017 1.00 0.29 O ATOM 169 CB LYS A 10 1.868 6.137 -1.201 1.00 0.38 C ATOM 170 CG LYS A 10 2.140 7.584 -1.597 1.00 0.63 C ATOM 171 CD LYS A 10 1.882 8.566 -0.462 1.00 0.73 C ATOM 172 CE LYS A 10 2.964 8.501 0.603 1.00 1.10 C ATOM 173 NZ LYS A 10 2.845 9.616 1.580 1.00 1.34 N ATOM 0 H LYS A 10 0.418 5.868 -3.274 1.00 0.28 H new ATOM 0 HA LYS A 10 3.197 5.214 -2.632 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.829 6.039 -0.888 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.486 5.877 -0.341 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.176 7.678 -1.924 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.512 7.847 -2.448 1.00 0.63 H new ATOM 0 HD2 LYS A 10 1.828 9.578 -0.863 1.00 0.73 H new ATOM 0 HD3 LYS A 10 0.914 8.351 -0.009 1.00 0.73 H new ATOM 0 HE2 LYS A 10 2.900 7.548 1.129 1.00 1.10 H new ATOM 0 HE3 LYS A 10 3.944 8.537 0.128 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.600 9.537 2.290 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 2.932 10.525 1.082 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 1.920 9.567 2.052 1.00 1.34 H new ATOM 187 N HIS A 11 0.940 3.020 -2.452 1.00 0.25 N ATOM 188 CA HIS A 11 0.643 1.659 -2.001 1.00 0.24 C ATOM 189 C HIS A 11 0.296 0.706 -3.139 1.00 0.23 C ATOM 190 O HIS A 11 0.297 -0.500 -2.942 1.00 0.26 O ATOM 191 CB HIS A 11 -0.496 1.655 -0.977 1.00 0.26 C ATOM 192 CG HIS A 11 -0.095 2.155 0.376 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.738 1.449 1.226 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.411 3.299 1.029 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.910 2.136 2.340 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.225 3.261 2.247 1.00 0.37 N ATOM 0 H HIS A 11 0.341 3.369 -3.200 1.00 0.25 H new ATOM 0 HA HIS A 11 1.562 1.298 -1.539 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.313 2.270 -1.354 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.881 0.640 -0.879 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.154 0.540 1.023 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.044 4.093 0.661 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.510 1.830 3.185 1.00 0.34 H new ATOM 205 N ILE A 12 0.001 1.224 -4.313 1.00 0.23 N ATOM 206 CA ILE A 12 -0.416 0.376 -5.423 1.00 0.24 C ATOM 207 C ILE A 12 0.742 0.135 -6.387 1.00 0.23 C ATOM 208 O ILE A 12 1.240 1.066 -7.018 1.00 0.30 O ATOM 209 CB ILE A 12 -1.610 0.995 -6.191 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.807 1.207 -5.259 1.00 0.36 C ATOM 211 CG2 ILE A 12 -2.007 0.119 -7.364 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.291 -0.053 -4.573 1.00 0.48 C ATOM 0 H ILE A 12 0.040 2.220 -4.528 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.733 -0.577 -4.999 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.295 1.966 -6.574 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.536 1.940 -4.499 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.629 1.633 -5.834 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.847 0.573 -7.889 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.163 0.021 -8.047 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.296 -0.867 -7.000 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.140 0.185 -3.932 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.596 -0.782 -5.324 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.486 -0.470 -3.968 1.00 0.48 H new ATOM 224 N THR A 13 1.175 -1.114 -6.491 1.00 0.20 N ATOM 225 CA THR A 13 2.233 -1.465 -7.417 1.00 0.21 C ATOM 226 C THR A 13 1.794 -2.637 -8.294 1.00 0.22 C ATOM 227 O THR A 13 0.972 -3.463 -7.888 1.00 0.24 O ATOM 228 CB THR A 13 3.559 -1.804 -6.685 1.00 0.21 C ATOM 229 OG1 THR A 13 4.628 -1.930 -7.631 1.00 0.30 O ATOM 230 CG2 THR A 13 3.447 -3.094 -5.884 1.00 0.21 C ATOM 0 H THR A 13 0.809 -1.895 -5.946 1.00 0.20 H new ATOM 0 HA THR A 13 2.424 -0.595 -8.045 1.00 0.21 H new ATOM 0 HB THR A 13 3.766 -0.987 -5.994 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.362 -2.440 -7.229 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.395 -3.297 -5.386 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.660 -2.991 -5.137 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.205 -3.919 -6.554 1.00 0.21 H new ATOM 238 N ASN A 14 2.324 -2.693 -9.503 1.00 0.28 N ATOM 239 CA ASN A 14 1.985 -3.761 -10.433 1.00 0.33 C ATOM 240 C ASN A 14 3.162 -4.708 -10.614 1.00 0.32 C ATOM 241 O ASN A 14 3.272 -5.397 -11.627 1.00 0.36 O ATOM 242 CB ASN A 14 1.542 -3.191 -11.788 1.00 0.46 C ATOM 243 CG ASN A 14 2.493 -2.143 -12.342 1.00 1.36 C ATOM 244 OD1 ASN A 14 2.319 -0.948 -12.105 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.492 -2.575 -13.099 1.00 2.08 N ATOM 0 H ASN A 14 2.991 -2.012 -9.866 1.00 0.28 H new ATOM 0 HA ASN A 14 1.151 -4.322 -10.011 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.454 -4.007 -12.506 1.00 0.46 H new ATOM 0 HB3 ASN A 14 0.550 -2.751 -11.682 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.148 -1.909 -13.507 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.605 -3.574 -13.274 1.00 2.08 H new ATOM 252 N THR A 15 4.025 -4.754 -9.611 1.00 0.33 N ATOM 253 CA THR A 15 5.170 -5.647 -9.619 1.00 0.36 C ATOM 254 C THR A 15 5.381 -6.245 -8.228 1.00 0.33 C ATOM 255 O THR A 15 5.025 -5.627 -7.224 1.00 0.36 O ATOM 256 CB THR A 15 6.450 -4.909 -10.086 1.00 0.42 C ATOM 257 OG1 THR A 15 7.574 -5.799 -10.090 1.00 0.48 O ATOM 258 CG2 THR A 15 6.753 -3.708 -9.201 1.00 0.43 C ATOM 0 H THR A 15 3.951 -4.176 -8.774 1.00 0.33 H new ATOM 0 HA THR A 15 4.968 -6.452 -10.325 1.00 0.36 H new ATOM 0 HB THR A 15 6.269 -4.554 -11.100 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.284 -5.432 -9.522 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.657 -3.213 -9.556 1.00 0.43 H new ATOM 0 HG22 THR A 15 5.918 -3.009 -9.238 1.00 0.43 H new ATOM 0 HG23 THR A 15 6.902 -4.041 -8.174 1.00 0.43 H new ATOM 266 N ARG A 16 5.930 -7.454 -8.170 1.00 0.32 N ATOM 267 CA ARG A 16 6.217 -8.097 -6.892 1.00 0.31 C ATOM 268 C ARG A 16 7.522 -7.568 -6.324 1.00 0.33 C ATOM 269 O ARG A 16 7.764 -7.635 -5.120 1.00 0.45 O ATOM 270 CB ARG A 16 6.288 -9.621 -7.044 1.00 0.36 C ATOM 271 CG ARG A 16 4.949 -10.256 -7.372 1.00 0.45 C ATOM 272 CD ARG A 16 3.950 -10.060 -6.243 1.00 0.38 C ATOM 273 NE ARG A 16 4.199 -10.954 -5.108 1.00 0.32 N ATOM 274 CZ ARG A 16 4.269 -10.554 -3.837 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.273 -9.258 -3.542 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.360 -11.452 -2.860 1.00 0.51 N ATOM 0 H ARG A 16 6.184 -8.006 -8.989 1.00 0.32 H new ATOM 0 HA ARG A 16 5.405 -7.862 -6.204 1.00 0.31 H new ATOM 0 HB2 ARG A 16 7.001 -9.868 -7.830 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.670 -10.054 -6.120 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.553 -9.821 -8.290 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.086 -11.321 -7.558 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.991 -9.026 -5.902 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.942 -10.231 -6.621 1.00 0.38 H new ATOM 0 HE ARG A 16 4.327 -11.947 -5.303 1.00 0.32 H new ATOM 0 HH11 ARG A 16 4.222 -8.565 -4.289 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.327 -8.957 -2.569 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.376 -12.447 -3.082 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.413 -11.145 -1.889 1.00 0.51 H new ATOM 290 N ASP A 17 8.353 -7.038 -7.201 1.00 0.37 N ATOM 291 CA ASP A 17 9.609 -6.437 -6.795 1.00 0.42 C ATOM 292 C ASP A 17 9.573 -4.947 -7.091 1.00 0.36 C ATOM 293 O ASP A 17 9.819 -4.529 -8.221 1.00 0.46 O ATOM 294 CB ASP A 17 10.783 -7.090 -7.535 1.00 0.60 C ATOM 295 CG ASP A 17 12.139 -6.593 -7.062 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.615 -5.556 -7.572 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.748 -7.260 -6.200 1.00 1.94 O ATOM 0 H ASP A 17 8.179 -7.012 -8.206 1.00 0.37 H new ATOM 0 HA ASP A 17 9.748 -6.594 -5.725 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.732 -8.171 -7.402 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.684 -6.896 -8.603 1.00 0.60 H new ATOM 302 N VAL A 18 9.208 -4.154 -6.093 1.00 0.31 N ATOM 303 CA VAL A 18 9.170 -2.710 -6.259 1.00 0.29 C ATOM 304 C VAL A 18 10.521 -2.098 -5.896 1.00 0.29 C ATOM 305 O VAL A 18 11.118 -2.436 -4.871 1.00 0.35 O ATOM 306 CB VAL A 18 8.030 -2.042 -5.441 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.941 -2.601 -4.031 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.212 -0.529 -5.399 1.00 0.58 C ATOM 0 H VAL A 18 8.936 -4.484 -5.167 1.00 0.31 H new ATOM 0 HA VAL A 18 8.958 -2.516 -7.310 1.00 0.29 H new ATOM 0 HB VAL A 18 7.093 -2.272 -5.947 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.131 -2.107 -3.494 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.745 -3.672 -4.076 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.882 -2.426 -3.510 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.403 -0.081 -4.822 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.167 -0.290 -4.931 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.196 -0.132 -6.414 1.00 0.58 H new ATOM 318 N ASP A 19 11.007 -1.221 -6.764 1.00 0.34 N ATOM 319 CA ASP A 19 12.295 -0.565 -6.577 1.00 0.41 C ATOM 320 C ASP A 19 12.196 0.540 -5.525 1.00 0.39 C ATOM 321 O ASP A 19 12.177 1.728 -5.852 1.00 0.46 O ATOM 322 CB ASP A 19 12.777 0.007 -7.917 1.00 0.58 C ATOM 323 CG ASP A 19 14.165 0.627 -7.872 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.781 0.683 -6.788 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.648 1.063 -8.942 1.00 1.91 O ATOM 0 H ASP A 19 10.521 -0.944 -7.617 1.00 0.34 H new ATOM 0 HA ASP A 19 13.017 -1.300 -6.220 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.772 -0.789 -8.661 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.066 0.762 -8.253 1.00 0.58 H new ATOM 330 N CYS A 20 12.068 0.131 -4.266 1.00 0.38 N ATOM 331 CA CYS A 20 12.032 1.063 -3.142 1.00 0.40 C ATOM 332 C CYS A 20 13.223 1.994 -3.164 1.00 0.38 C ATOM 333 O CYS A 20 13.093 3.197 -2.998 1.00 0.39 O ATOM 334 CB CYS A 20 12.044 0.315 -1.823 1.00 0.51 C ATOM 335 SG CYS A 20 11.834 -1.483 -1.980 1.00 0.93 S ATOM 0 H CYS A 20 11.987 -0.849 -3.997 1.00 0.38 H new ATOM 0 HA CYS A 20 11.113 1.641 -3.238 1.00 0.40 H new ATOM 0 HB2 CYS A 20 12.987 0.516 -1.314 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.249 0.708 -1.189 1.00 0.51 H new ATOM 340 N ASP A 21 14.381 1.390 -3.325 1.00 0.47 N ATOM 341 CA ASP A 21 15.660 2.107 -3.394 1.00 0.59 C ATOM 342 C ASP A 21 15.548 3.414 -4.189 1.00 0.53 C ATOM 343 O ASP A 21 16.087 4.444 -3.781 1.00 0.64 O ATOM 344 CB ASP A 21 16.723 1.202 -4.023 1.00 0.85 C ATOM 345 CG ASP A 21 18.067 1.887 -4.170 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.303 2.523 -5.214 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.888 1.808 -3.234 1.00 1.66 O ATOM 0 H ASP A 21 14.474 0.378 -3.414 1.00 0.47 H new ATOM 0 HA ASP A 21 15.949 2.369 -2.376 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.841 0.308 -3.410 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.379 0.873 -5.004 1.00 0.85 H new ATOM 352 N ASN A 22 14.841 3.370 -5.312 1.00 0.50 N ATOM 353 CA ASN A 22 14.629 4.560 -6.135 1.00 0.49 C ATOM 354 C ASN A 22 13.298 5.229 -5.788 1.00 0.42 C ATOM 355 O ASN A 22 13.252 6.416 -5.462 1.00 0.43 O ATOM 356 CB ASN A 22 14.657 4.171 -7.617 1.00 0.59 C ATOM 357 CG ASN A 22 14.726 5.362 -8.563 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.213 6.442 -8.279 1.00 1.07 O ATOM 359 ND2 ASN A 22 15.360 5.162 -9.708 1.00 1.14 N ATOM 0 H ASN A 22 14.403 2.523 -5.676 1.00 0.50 H new ATOM 0 HA ASN A 22 15.429 5.273 -5.934 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.516 3.525 -7.797 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.766 3.587 -7.847 1.00 0.59 H new ATOM 0 HD21 ASN A 22 15.435 5.918 -10.388 1.00 1.14 H new ATOM 0 HD22 ASN A 22 15.774 4.252 -9.910 1.00 1.14 H new ATOM 366 N ILE A 23 12.223 4.451 -5.835 1.00 0.40 N ATOM 367 CA ILE A 23 10.868 4.967 -5.634 1.00 0.38 C ATOM 368 C ILE A 23 10.705 5.627 -4.261 1.00 0.33 C ATOM 369 O ILE A 23 10.131 6.708 -4.147 1.00 0.34 O ATOM 370 CB ILE A 23 9.822 3.838 -5.817 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.833 3.361 -7.273 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.423 4.292 -5.414 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.871 2.229 -7.559 1.00 0.48 C ATOM 0 H ILE A 23 12.262 3.447 -6.013 1.00 0.40 H new ATOM 0 HA ILE A 23 10.698 5.734 -6.390 1.00 0.38 H new ATOM 0 HB ILE A 23 10.094 3.012 -5.160 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.590 4.203 -7.922 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.842 3.040 -7.531 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.719 3.472 -5.557 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.425 4.590 -4.365 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.124 5.139 -6.031 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.940 1.950 -8.610 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.125 1.370 -6.938 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.854 2.550 -7.335 1.00 0.48 H new ATOM 385 N LEU A 24 11.250 4.996 -3.231 1.00 0.30 N ATOM 386 CA LEU A 24 11.138 5.494 -1.863 1.00 0.29 C ATOM 387 C LEU A 24 12.104 6.639 -1.608 1.00 0.32 C ATOM 388 O LEU A 24 11.983 7.351 -0.608 1.00 0.33 O ATOM 389 CB LEU A 24 11.391 4.363 -0.856 1.00 0.31 C ATOM 390 CG LEU A 24 10.158 3.563 -0.441 1.00 0.38 C ATOM 391 CD1 LEU A 24 9.344 3.142 -1.637 1.00 1.03 C ATOM 392 CD2 LEU A 24 10.541 2.347 0.368 1.00 1.01 C ATOM 0 H LEU A 24 11.780 4.129 -3.316 1.00 0.30 H new ATOM 0 HA LEU A 24 10.123 5.869 -1.732 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.121 3.676 -1.284 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.843 4.791 0.039 1.00 0.31 H new ATOM 0 HG LEU A 24 9.548 4.220 0.179 1.00 0.38 H new ATOM 0 HD11 LEU A 24 8.475 2.575 -1.304 1.00 1.03 H new ATOM 0 HD12 LEU A 24 9.014 4.026 -2.182 1.00 1.03 H new ATOM 0 HD13 LEU A 24 9.954 2.520 -2.292 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.642 1.798 0.648 1.00 1.01 H new ATOM 0 HD22 LEU A 24 11.188 1.703 -0.227 1.00 1.01 H new ATOM 0 HD23 LEU A 24 11.070 2.661 1.268 1.00 1.01 H new ATOM 404 N SER A 25 13.048 6.825 -2.517 1.00 0.36 N ATOM 405 CA SER A 25 14.057 7.859 -2.366 1.00 0.41 C ATOM 406 C SER A 25 13.512 9.206 -2.843 1.00 0.42 C ATOM 407 O SER A 25 14.115 10.254 -2.604 1.00 0.49 O ATOM 408 CB SER A 25 15.317 7.475 -3.153 1.00 0.50 C ATOM 409 OG SER A 25 16.462 8.176 -2.688 1.00 1.28 O ATOM 0 H SER A 25 13.136 6.271 -3.369 1.00 0.36 H new ATOM 0 HA SER A 25 14.318 7.951 -1.312 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.487 6.402 -3.066 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.164 7.689 -4.211 1.00 0.50 H new ATOM 0 HG SER A 25 17.246 7.906 -3.211 1.00 1.28 H new ATOM 415 N THR A 26 12.355 9.172 -3.498 1.00 0.41 N ATOM 416 CA THR A 26 11.740 10.380 -4.032 1.00 0.46 C ATOM 417 C THR A 26 11.043 11.177 -2.931 1.00 0.45 C ATOM 418 O THR A 26 11.114 10.827 -1.752 1.00 0.45 O ATOM 419 CB THR A 26 10.711 10.045 -5.130 1.00 0.49 C ATOM 420 OG1 THR A 26 9.638 9.271 -4.574 1.00 0.44 O ATOM 421 CG2 THR A 26 11.360 9.279 -6.274 1.00 0.56 C ATOM 0 H THR A 26 11.825 8.318 -3.671 1.00 0.41 H new ATOM 0 HA THR A 26 12.542 10.980 -4.461 1.00 0.46 H new ATOM 0 HB THR A 26 10.318 10.982 -5.525 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.901 8.328 -4.534 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.611 9.056 -7.034 1.00 0.56 H new ATOM 0 HG22 THR A 26 12.153 9.884 -6.713 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.781 8.348 -5.896 1.00 0.56 H new ATOM 429 N ASN A 27 10.350 12.235 -3.329 1.00 0.49 N ATOM 430 CA ASN A 27 9.639 13.102 -2.393 1.00 0.52 C ATOM 431 C ASN A 27 8.312 12.465 -1.974 1.00 0.52 C ATOM 432 O ASN A 27 7.665 12.898 -1.021 1.00 0.67 O ATOM 433 CB ASN A 27 9.398 14.459 -3.059 1.00 0.61 C ATOM 434 CG ASN A 27 8.672 15.457 -2.177 1.00 0.87 C ATOM 435 OD1 ASN A 27 8.824 15.462 -0.955 1.00 1.46 O ATOM 436 ND2 ASN A 27 7.884 16.319 -2.802 1.00 1.53 N ATOM 0 H ASN A 27 10.263 12.518 -4.305 1.00 0.49 H new ATOM 0 HA ASN A 27 10.241 13.240 -1.495 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.358 14.882 -3.356 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.820 14.308 -3.971 1.00 0.61 H new ATOM 0 HD21 ASN A 27 7.374 17.023 -2.269 1.00 1.53 H new ATOM 0 HD22 ASN A 27 7.787 16.279 -3.817 1.00 1.53 H new ATOM 443 N LEU A 28 7.931 11.409 -2.680 1.00 0.48 N ATOM 444 CA LEU A 28 6.661 10.734 -2.438 1.00 0.47 C ATOM 445 C LEU A 28 6.725 9.907 -1.151 1.00 0.45 C ATOM 446 O LEU A 28 5.699 9.593 -0.545 1.00 0.52 O ATOM 447 CB LEU A 28 6.316 9.837 -3.635 1.00 0.47 C ATOM 448 CG LEU A 28 4.915 9.218 -3.622 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.844 10.293 -3.760 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.780 8.184 -4.732 1.00 0.51 C ATOM 0 H LEU A 28 8.487 10.998 -3.430 1.00 0.48 H new ATOM 0 HA LEU A 28 5.880 11.485 -2.319 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.425 10.423 -4.548 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.048 9.031 -3.684 1.00 0.47 H new ATOM 0 HG LEU A 28 4.772 8.719 -2.663 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.858 9.828 -3.748 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.924 10.995 -2.930 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.982 10.826 -4.701 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.779 7.754 -4.709 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.947 8.662 -5.697 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.517 7.395 -4.586 1.00 0.51 H new ATOM 462 N PHE A 29 7.939 9.560 -0.738 1.00 0.42 N ATOM 463 CA PHE A 29 8.144 8.769 0.472 1.00 0.40 C ATOM 464 C PHE A 29 9.193 9.418 1.369 1.00 0.42 C ATOM 465 O PHE A 29 9.103 9.343 2.594 1.00 0.48 O ATOM 466 CB PHE A 29 8.570 7.345 0.116 1.00 0.36 C ATOM 467 CG PHE A 29 7.564 6.621 -0.729 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.462 6.017 -0.150 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.723 6.539 -2.101 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.537 5.347 -0.920 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.800 5.868 -2.878 1.00 0.39 C ATOM 472 CZ PHE A 29 5.699 5.291 -2.297 1.00 0.42 C ATOM 0 H PHE A 29 8.799 9.814 -1.224 1.00 0.42 H new ATOM 0 HA PHE A 29 7.199 8.728 1.014 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.522 7.379 -0.413 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.736 6.782 1.034 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.325 6.072 0.920 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.578 7.005 -2.569 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.689 4.867 -0.454 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.945 5.797 -3.946 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.961 4.795 -2.910 1.00 0.42 H new ATOM 482 N HIS A 30 10.196 10.031 0.737 1.00 0.43 N ATOM 483 CA HIS A 30 11.263 10.751 1.439 1.00 0.52 C ATOM 484 C HIS A 30 12.017 9.820 2.391 1.00 0.45 C ATOM 485 O HIS A 30 12.487 10.236 3.453 1.00 0.48 O ATOM 486 CB HIS A 30 10.686 11.953 2.191 1.00 0.70 C ATOM 487 CG HIS A 30 11.692 13.035 2.428 1.00 1.23 C ATOM 488 ND1 HIS A 30 12.033 13.492 3.680 1.00 1.78 N ATOM 489 CD2 HIS A 30 12.432 13.754 1.551 1.00 2.07 C ATOM 490 CE1 HIS A 30 12.942 14.444 3.566 1.00 2.74 C ATOM 491 NE2 HIS A 30 13.203 14.622 2.284 1.00 2.97 N ATOM 0 H HIS A 30 10.292 10.043 -0.278 1.00 0.43 H new ATOM 0 HA HIS A 30 11.976 11.117 0.700 1.00 0.52 H new ATOM 0 HB2 HIS A 30 9.849 12.361 1.624 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.289 11.618 3.149 1.00 0.70 H new ATOM 0 HD2 HIS A 30 12.418 13.662 0.475 1.00 2.07 H new ATOM 0 HE1 HIS A 30 13.395 14.985 4.383 1.00 2.74 H new ATOM 0 HE2 HIS A 30 13.868 15.294 1.901 1.00 2.97 H new ATOM 500 N CYS A 31 12.151 8.569 1.963 1.00 0.44 N ATOM 501 CA CYS A 31 12.800 7.514 2.737 1.00 0.45 C ATOM 502 C CYS A 31 12.309 7.443 4.185 1.00 0.40 C ATOM 503 O CYS A 31 12.940 7.963 5.111 1.00 0.47 O ATOM 504 CB CYS A 31 14.328 7.622 2.678 1.00 0.62 C ATOM 505 SG CYS A 31 15.049 6.887 1.175 1.00 1.10 S ATOM 0 H CYS A 31 11.807 8.254 1.056 1.00 0.44 H new ATOM 0 HA CYS A 31 12.509 6.577 2.263 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.613 8.673 2.732 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.753 7.131 3.553 1.00 0.62 H new ATOM 510 N LYS A 32 11.151 6.822 4.350 1.00 0.39 N ATOM 511 CA LYS A 32 10.614 6.479 5.658 1.00 0.43 C ATOM 512 C LYS A 32 11.333 5.247 6.217 1.00 0.45 C ATOM 513 O LYS A 32 12.367 4.838 5.697 1.00 0.55 O ATOM 514 CB LYS A 32 9.114 6.214 5.529 1.00 0.50 C ATOM 515 CG LYS A 32 8.771 5.172 4.472 1.00 0.53 C ATOM 516 CD LYS A 32 7.289 5.185 4.137 1.00 0.90 C ATOM 517 CE LYS A 32 6.798 6.574 3.780 1.00 2.05 C ATOM 518 NZ LYS A 32 5.337 6.585 3.526 1.00 2.72 N ATOM 0 H LYS A 32 10.553 6.540 3.574 1.00 0.39 H new ATOM 0 HA LYS A 32 10.773 7.307 6.349 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.727 5.884 6.493 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.607 7.148 5.285 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.351 5.364 3.569 1.00 0.53 H new ATOM 0 HG3 LYS A 32 9.056 4.182 4.829 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.100 4.509 3.303 1.00 0.90 H new ATOM 0 HD3 LYS A 32 6.722 4.808 4.988 1.00 0.90 H new ATOM 0 HE2 LYS A 32 7.033 7.264 4.591 1.00 2.05 H new ATOM 0 HE3 LYS A 32 7.325 6.931 2.895 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 5.087 7.428 2.971 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 5.070 5.731 2.996 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 4.827 6.604 4.432 1.00 2.72 H new ATOM 532 N ASP A 33 10.807 4.680 7.294 1.00 0.49 N ATOM 533 CA ASP A 33 11.345 3.431 7.838 1.00 0.54 C ATOM 534 C ASP A 33 10.997 2.265 6.929 1.00 0.48 C ATOM 535 O ASP A 33 11.858 1.457 6.574 1.00 0.51 O ATOM 536 CB ASP A 33 10.800 3.167 9.242 1.00 0.66 C ATOM 537 CG ASP A 33 11.245 4.209 10.241 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.421 4.172 10.659 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.419 5.067 10.617 1.00 2.06 O ATOM 0 H ASP A 33 10.012 5.059 7.809 1.00 0.49 H new ATOM 0 HA ASP A 33 12.429 3.531 7.897 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.711 3.144 9.207 1.00 0.66 H new ATOM 0 HB3 ASP A 33 11.129 2.183 9.577 1.00 0.66 H new ATOM 544 N LYS A 34 9.728 2.177 6.560 1.00 0.44 N ATOM 545 CA LYS A 34 9.263 1.121 5.680 1.00 0.41 C ATOM 546 C LYS A 34 7.998 1.534 4.949 1.00 0.38 C ATOM 547 O LYS A 34 7.268 2.416 5.397 1.00 0.43 O ATOM 548 CB LYS A 34 9.039 -0.190 6.457 1.00 0.48 C ATOM 549 CG LYS A 34 8.257 -0.050 7.764 1.00 0.95 C ATOM 550 CD LYS A 34 6.772 0.235 7.552 1.00 1.27 C ATOM 551 CE LYS A 34 6.065 -0.891 6.809 1.00 1.96 C ATOM 552 NZ LYS A 34 6.117 -2.178 7.550 1.00 2.60 N ATOM 0 H LYS A 34 9.001 2.828 6.859 1.00 0.44 H new ATOM 0 HA LYS A 34 10.040 0.945 4.936 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.511 -0.891 5.810 1.00 0.48 H new ATOM 0 HB3 LYS A 34 10.010 -0.632 6.680 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.365 -0.967 8.344 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.693 0.755 8.356 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.292 0.386 8.519 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.659 1.163 6.992 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.024 -0.614 6.640 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.524 -1.020 5.829 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 5.156 -2.567 7.638 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 6.717 -2.852 7.033 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 6.514 -2.017 8.498 1.00 2.60 H new ATOM 566 N ASN A 35 7.750 0.887 3.825 1.00 0.37 N ATOM 567 CA ASN A 35 6.556 1.142 3.033 1.00 0.36 C ATOM 568 C ASN A 35 6.091 -0.152 2.382 1.00 0.34 C ATOM 569 O ASN A 35 6.812 -0.746 1.580 1.00 0.38 O ATOM 570 CB ASN A 35 6.820 2.194 1.948 1.00 0.36 C ATOM 571 CG ASN A 35 5.534 2.781 1.386 1.00 0.38 C ATOM 572 OD1 ASN A 35 5.015 3.778 1.895 1.00 0.75 O ATOM 573 ND2 ASN A 35 5.018 2.174 0.330 1.00 0.35 N ATOM 0 H ASN A 35 8.366 0.173 3.435 1.00 0.37 H new ATOM 0 HA ASN A 35 5.782 1.525 3.699 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.431 2.995 2.363 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.394 1.742 1.139 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.160 2.528 -0.093 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.478 1.352 -0.061 1.00 0.35 H new ATOM 580 N THR A 36 4.899 -0.594 2.740 1.00 0.32 N ATOM 581 CA THR A 36 4.346 -1.821 2.192 1.00 0.30 C ATOM 582 C THR A 36 3.501 -1.528 0.953 1.00 0.26 C ATOM 583 O THR A 36 2.508 -0.794 1.021 1.00 0.28 O ATOM 584 CB THR A 36 3.486 -2.549 3.242 1.00 0.36 C ATOM 585 OG1 THR A 36 4.204 -2.638 4.481 1.00 0.45 O ATOM 586 CG2 THR A 36 3.113 -3.947 2.766 1.00 0.37 C ATOM 0 H THR A 36 4.293 -0.120 3.410 1.00 0.32 H new ATOM 0 HA THR A 36 5.180 -2.464 1.909 1.00 0.30 H new ATOM 0 HB THR A 36 2.569 -1.978 3.389 1.00 0.36 H new ATOM 0 HG1 THR A 36 5.140 -2.867 4.301 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.506 -4.440 3.525 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.546 -3.876 1.838 1.00 0.37 H new ATOM 0 HG23 THR A 36 4.020 -4.527 2.594 1.00 0.37 H new ATOM 594 N PHE A 37 3.911 -2.082 -0.180 1.00 0.21 N ATOM 595 CA PHE A 37 3.165 -1.933 -1.421 1.00 0.18 C ATOM 596 C PHE A 37 2.261 -3.137 -1.643 1.00 0.18 C ATOM 597 O PHE A 37 2.489 -4.212 -1.086 1.00 0.21 O ATOM 598 CB PHE A 37 4.104 -1.779 -2.620 1.00 0.17 C ATOM 599 CG PHE A 37 4.953 -0.539 -2.595 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.135 -0.497 -1.864 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.560 0.595 -3.287 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.900 0.648 -1.828 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.326 1.740 -3.255 1.00 0.20 C ATOM 604 CZ PHE A 37 6.543 1.735 -2.575 1.00 0.20 C ATOM 0 H PHE A 37 4.760 -2.641 -0.265 1.00 0.21 H new ATOM 0 HA PHE A 37 2.560 -1.031 -1.334 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.758 -2.650 -2.667 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.509 -1.777 -3.533 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.457 -1.372 -1.318 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.643 0.581 -3.858 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.784 0.687 -1.208 1.00 0.21 H new ATOM 0 HE2 PHE A 37 4.986 2.636 -3.754 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.202 2.588 -2.638 1.00 0.20 H new ATOM 614 N ILE A 38 1.249 -2.938 -2.463 1.00 0.18 N ATOM 615 CA ILE A 38 0.263 -3.960 -2.762 1.00 0.17 C ATOM 616 C ILE A 38 0.319 -4.326 -4.240 1.00 0.17 C ATOM 617 O ILE A 38 0.079 -3.475 -5.099 1.00 0.18 O ATOM 618 CB ILE A 38 -1.157 -3.451 -2.418 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.220 -3.012 -0.949 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.206 -4.522 -2.712 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.482 -2.262 -0.592 1.00 0.22 C ATOM 0 H ILE A 38 1.085 -2.055 -2.946 1.00 0.18 H new ATOM 0 HA ILE A 38 0.487 -4.841 -2.160 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.377 -2.589 -3.047 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.139 -3.893 -0.312 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.359 -2.381 -0.731 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.196 -4.140 -2.462 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.174 -4.782 -3.770 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -1.998 -5.409 -2.114 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.455 -1.985 0.462 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.555 -1.362 -1.202 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.348 -2.898 -0.777 1.00 0.22 H new ATOM 633 N TYR A 39 0.659 -5.575 -4.538 1.00 0.16 N ATOM 634 CA TYR A 39 0.614 -6.060 -5.908 1.00 0.17 C ATOM 635 C TYR A 39 -0.824 -6.375 -6.283 1.00 0.18 C ATOM 636 O TYR A 39 -1.289 -7.514 -6.172 1.00 0.18 O ATOM 637 CB TYR A 39 1.511 -7.288 -6.116 1.00 0.20 C ATOM 638 CG TYR A 39 1.356 -7.928 -7.484 1.00 0.23 C ATOM 639 CD1 TYR A 39 1.817 -7.293 -8.630 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.731 -9.161 -7.624 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.659 -7.871 -9.877 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.574 -9.745 -8.865 1.00 0.34 C ATOM 643 CZ TYR A 39 1.036 -9.096 -9.988 1.00 0.35 C ATOM 644 OH TYR A 39 0.874 -9.671 -11.226 1.00 0.40 O ATOM 0 H TYR A 39 0.967 -6.265 -3.852 1.00 0.16 H new ATOM 0 HA TYR A 39 0.999 -5.276 -6.560 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.552 -6.995 -5.977 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.283 -8.029 -5.349 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.306 -6.334 -8.546 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.362 -9.671 -6.747 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.022 -7.365 -10.759 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.091 -10.707 -8.955 1.00 0.34 H new ATOM 0 HH TYR A 39 0.418 -10.533 -11.129 1.00 0.40 H new ATOM 654 N SER A 40 -1.528 -5.334 -6.665 1.00 0.23 N ATOM 655 CA SER A 40 -2.905 -5.414 -7.104 1.00 0.26 C ATOM 656 C SER A 40 -3.231 -4.124 -7.824 1.00 0.29 C ATOM 657 O SER A 40 -2.556 -3.115 -7.617 1.00 0.50 O ATOM 658 CB SER A 40 -3.859 -5.615 -5.917 1.00 0.25 C ATOM 659 OG SER A 40 -3.637 -6.860 -5.281 1.00 0.93 O ATOM 0 H SER A 40 -1.152 -4.386 -6.680 1.00 0.23 H new ATOM 0 HA SER A 40 -3.032 -6.271 -7.766 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.722 -4.808 -5.198 1.00 0.25 H new ATOM 0 HB3 SER A 40 -4.891 -5.561 -6.264 1.00 0.25 H new ATOM 0 HG SER A 40 -2.982 -7.377 -5.794 1.00 0.93 H new ATOM 665 N ARG A 41 -4.232 -4.140 -8.677 1.00 0.25 N ATOM 666 CA ARG A 41 -4.591 -2.936 -9.393 1.00 0.27 C ATOM 667 C ARG A 41 -5.425 -2.044 -8.491 1.00 0.22 C ATOM 668 O ARG A 41 -6.072 -2.525 -7.562 1.00 0.23 O ATOM 669 CB ARG A 41 -5.334 -3.261 -10.698 1.00 0.33 C ATOM 670 CG ARG A 41 -4.578 -4.234 -11.587 1.00 0.54 C ATOM 671 CD ARG A 41 -3.095 -3.897 -11.622 1.00 1.08 C ATOM 672 NE ARG A 41 -2.294 -4.910 -12.308 1.00 1.30 N ATOM 673 CZ ARG A 41 -2.172 -6.184 -11.908 1.00 2.21 C ATOM 674 NH1 ARG A 41 -2.889 -6.651 -10.887 1.00 2.92 N ATOM 675 NH2 ARG A 41 -1.354 -7.002 -12.554 1.00 2.66 N ATOM 0 H ARG A 41 -4.803 -4.958 -8.889 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.680 -2.406 -9.671 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.311 -3.681 -10.458 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.511 -2.337 -11.248 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.715 -5.251 -11.219 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.986 -4.202 -12.597 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -2.958 -2.936 -12.118 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.730 -3.783 -10.601 1.00 1.08 H new ATOM 0 HE ARG A 41 -1.793 -4.628 -13.150 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -3.541 -6.037 -10.399 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -2.786 -7.622 -10.594 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.819 -6.662 -13.353 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -1.259 -7.972 -12.252 1.00 2.66 H new ATOM 689 N PRO A 42 -5.419 -0.736 -8.744 1.00 0.22 N ATOM 690 CA PRO A 42 -6.138 0.216 -7.900 1.00 0.21 C ATOM 691 C PRO A 42 -7.645 -0.008 -7.960 1.00 0.20 C ATOM 692 O PRO A 42 -8.360 0.216 -6.990 1.00 0.23 O ATOM 693 CB PRO A 42 -5.766 1.582 -8.481 1.00 0.24 C ATOM 694 CG PRO A 42 -5.245 1.319 -9.855 1.00 0.25 C ATOM 695 CD PRO A 42 -4.729 -0.092 -9.872 1.00 0.30 C ATOM 0 HA PRO A 42 -5.871 0.116 -6.848 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.633 2.241 -8.513 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.013 2.075 -7.866 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.033 1.449 -10.597 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.451 2.022 -10.106 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.956 -0.589 -10.815 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.647 -0.123 -9.748 1.00 0.30 H new ATOM 703 N GLU A 43 -8.105 -0.512 -9.088 1.00 0.21 N ATOM 704 CA GLU A 43 -9.522 -0.691 -9.331 1.00 0.25 C ATOM 705 C GLU A 43 -10.111 -1.826 -8.476 1.00 0.23 C ATOM 706 O GLU A 43 -11.104 -1.619 -7.777 1.00 0.24 O ATOM 707 CB GLU A 43 -9.734 -0.924 -10.824 1.00 0.36 C ATOM 708 CG GLU A 43 -9.363 0.292 -11.659 1.00 0.48 C ATOM 709 CD GLU A 43 -9.278 0.000 -13.141 1.00 1.60 C ATOM 710 OE1 GLU A 43 -8.215 -0.482 -13.593 1.00 2.36 O ATOM 711 OE2 GLU A 43 -10.258 0.273 -13.865 1.00 1.99 O ATOM 0 H GLU A 43 -7.508 -0.808 -9.860 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.058 0.210 -9.032 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.136 -1.777 -11.144 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.778 -1.180 -11.004 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.101 1.077 -11.493 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -8.403 0.679 -11.317 1.00 0.48 H new ATOM 718 N PRO A 44 -9.521 -3.041 -8.509 1.00 0.24 N ATOM 719 CA PRO A 44 -9.951 -4.156 -7.649 1.00 0.26 C ATOM 720 C PRO A 44 -9.749 -3.875 -6.157 1.00 0.24 C ATOM 721 O PRO A 44 -10.417 -4.472 -5.310 1.00 0.27 O ATOM 722 CB PRO A 44 -9.062 -5.324 -8.094 1.00 0.30 C ATOM 723 CG PRO A 44 -7.898 -4.689 -8.762 1.00 0.36 C ATOM 724 CD PRO A 44 -8.432 -3.445 -9.407 1.00 0.27 C ATOM 0 HA PRO A 44 -11.019 -4.347 -7.755 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.747 -5.927 -7.242 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.594 -5.988 -8.775 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.114 -4.452 -8.042 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.459 -5.357 -9.503 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.667 -2.672 -9.485 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.794 -3.639 -10.417 1.00 0.27 H new ATOM 732 N VAL A 45 -8.844 -2.955 -5.835 1.00 0.20 N ATOM 733 CA VAL A 45 -8.579 -2.610 -4.440 1.00 0.19 C ATOM 734 C VAL A 45 -9.528 -1.507 -3.975 1.00 0.17 C ATOM 735 O VAL A 45 -9.935 -1.471 -2.817 1.00 0.18 O ATOM 736 CB VAL A 45 -7.104 -2.181 -4.222 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.882 -1.657 -2.808 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.169 -3.348 -4.501 1.00 0.23 C ATOM 0 H VAL A 45 -8.285 -2.438 -6.514 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.753 -3.505 -3.842 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.884 -1.373 -4.919 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.839 -1.365 -2.688 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.523 -0.792 -2.636 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -7.125 -2.438 -2.088 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -5.137 -3.033 -4.344 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.404 -4.171 -3.826 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.295 -3.677 -5.533 1.00 0.23 H new ATOM 748 N LYS A 46 -9.911 -0.626 -4.888 1.00 0.15 N ATOM 749 CA LYS A 46 -10.918 0.382 -4.587 1.00 0.15 C ATOM 750 C LYS A 46 -12.267 -0.295 -4.378 1.00 0.17 C ATOM 751 O LYS A 46 -13.126 0.207 -3.652 1.00 0.20 O ATOM 752 CB LYS A 46 -11.008 1.406 -5.719 1.00 0.17 C ATOM 753 CG LYS A 46 -11.847 2.624 -5.374 1.00 0.20 C ATOM 754 CD LYS A 46 -11.874 3.619 -6.516 1.00 0.27 C ATOM 755 CE LYS A 46 -12.619 4.881 -6.127 1.00 0.37 C ATOM 756 NZ LYS A 46 -14.027 4.602 -5.745 1.00 1.36 N ATOM 0 H LYS A 46 -9.542 -0.588 -5.838 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.634 0.907 -3.675 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -10.002 1.732 -5.983 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.429 0.924 -6.601 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.864 2.312 -5.138 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.445 3.103 -4.481 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.854 3.871 -6.806 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.350 3.166 -7.385 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -12.106 5.362 -5.294 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.602 5.583 -6.960 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.574 5.486 -5.766 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.440 3.923 -6.415 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -14.054 4.202 -4.785 1.00 1.36 H new ATOM 770 N ALA A 47 -12.426 -1.458 -5.004 1.00 0.18 N ATOM 771 CA ALA A 47 -13.642 -2.246 -4.888 1.00 0.22 C ATOM 772 C ALA A 47 -13.854 -2.737 -3.458 1.00 0.22 C ATOM 773 O ALA A 47 -14.974 -3.053 -3.062 1.00 0.27 O ATOM 774 CB ALA A 47 -13.598 -3.422 -5.851 1.00 0.26 C ATOM 0 H ALA A 47 -11.715 -1.877 -5.604 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.485 -1.605 -5.147 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.514 -4.005 -5.755 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.508 -3.053 -6.873 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.740 -4.052 -5.616 1.00 0.26 H new ATOM 780 N ILE A 48 -12.777 -2.791 -2.683 1.00 0.20 N ATOM 781 CA ILE A 48 -12.867 -3.181 -1.282 1.00 0.21 C ATOM 782 C ILE A 48 -13.713 -2.169 -0.516 1.00 0.21 C ATOM 783 O ILE A 48 -14.442 -2.516 0.415 1.00 0.23 O ATOM 784 CB ILE A 48 -11.466 -3.286 -0.638 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.591 -4.242 -1.452 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.573 -3.766 0.804 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.144 -4.264 -1.017 1.00 0.21 C ATOM 0 H ILE A 48 -11.833 -2.570 -3.001 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.338 -4.163 -1.233 1.00 0.21 H new ATOM 0 HB ILE A 48 -11.007 -2.297 -0.636 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -11.000 -5.249 -1.374 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.640 -3.959 -2.503 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.576 -3.833 1.240 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.173 -3.061 1.379 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -12.046 -4.748 0.827 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.587 -4.964 -1.640 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.717 -3.266 -1.122 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -9.082 -4.577 0.025 1.00 0.21 H new ATOM 799 N CYS A 49 -13.646 -0.919 -0.952 1.00 0.20 N ATOM 800 CA CYS A 49 -14.372 0.158 -0.308 1.00 0.21 C ATOM 801 C CYS A 49 -15.631 0.519 -1.085 1.00 0.25 C ATOM 802 O CYS A 49 -16.223 1.581 -0.877 1.00 0.25 O ATOM 803 CB CYS A 49 -13.449 1.361 -0.171 1.00 0.19 C ATOM 804 SG CYS A 49 -12.022 1.023 0.902 1.00 0.18 S ATOM 0 H CYS A 49 -13.090 -0.628 -1.756 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.693 -0.167 0.682 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -13.095 1.658 -1.158 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -14.012 2.203 0.232 1.00 0.19 H new ATOM 809 N LYS A 50 -16.046 -0.380 -1.970 1.00 0.32 N ATOM 810 CA LYS A 50 -17.253 -0.183 -2.761 1.00 0.40 C ATOM 811 C LYS A 50 -18.481 -0.055 -1.863 1.00 0.39 C ATOM 812 O LYS A 50 -18.880 -1.011 -1.199 1.00 0.47 O ATOM 813 CB LYS A 50 -17.446 -1.342 -3.741 1.00 0.54 C ATOM 814 CG LYS A 50 -18.737 -1.257 -4.542 1.00 0.68 C ATOM 815 CD LYS A 50 -18.972 -2.513 -5.367 1.00 0.92 C ATOM 816 CE LYS A 50 -17.937 -2.674 -6.470 1.00 1.58 C ATOM 817 NZ LYS A 50 -17.939 -1.522 -7.410 1.00 2.33 N ATOM 0 H LYS A 50 -15.560 -1.257 -2.158 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.136 0.744 -3.323 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.602 -1.368 -4.430 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.434 -2.281 -3.187 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.577 -1.105 -3.864 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.699 -0.390 -5.202 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.945 -3.386 -4.714 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.968 -2.476 -5.808 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -16.947 -2.777 -6.026 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -18.136 -3.592 -7.022 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -17.416 -1.777 -8.272 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -18.919 -1.279 -7.659 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -17.483 -0.704 -6.958 1.00 2.33 H new ATOM 831 N GLY A 51 -19.055 1.139 -1.833 1.00 0.36 N ATOM 832 CA GLY A 51 -20.280 1.362 -1.092 1.00 0.38 C ATOM 833 C GLY A 51 -20.048 1.934 0.294 1.00 0.37 C ATOM 834 O GLY A 51 -21.003 2.175 1.032 1.00 0.44 O ATOM 0 H GLY A 51 -18.691 1.963 -2.312 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.919 2.042 -1.656 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.819 0.419 -1.003 1.00 0.38 H new ATOM 838 N ILE A 52 -18.793 2.173 0.652 1.00 0.31 N ATOM 839 CA ILE A 52 -18.476 2.681 1.983 1.00 0.29 C ATOM 840 C ILE A 52 -18.167 4.177 1.926 1.00 0.29 C ATOM 841 O ILE A 52 -17.035 4.575 1.655 1.00 0.27 O ATOM 842 CB ILE A 52 -17.271 1.944 2.611 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.389 0.426 2.415 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.166 2.280 4.092 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.629 -0.185 3.033 1.00 0.33 C ATOM 0 H ILE A 52 -17.985 2.026 0.048 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.353 2.505 2.606 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.365 2.279 2.106 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.383 0.207 1.347 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.509 -0.054 2.843 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.314 1.756 4.525 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -17.030 3.355 4.213 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -18.079 1.971 4.601 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.635 -1.259 2.849 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.629 -0.001 4.107 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.517 0.265 2.588 1.00 0.33 H new ATOM 857 N ILE A 53 -19.178 5.001 2.163 1.00 0.33 N ATOM 858 CA ILE A 53 -19.029 6.446 2.089 1.00 0.35 C ATOM 859 C ILE A 53 -18.488 7.006 3.400 1.00 0.34 C ATOM 860 O ILE A 53 -17.598 7.859 3.408 1.00 0.35 O ATOM 861 CB ILE A 53 -20.375 7.129 1.750 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.763 6.892 0.286 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.314 8.624 2.032 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.990 5.445 -0.087 1.00 0.55 C ATOM 0 H ILE A 53 -20.117 4.689 2.410 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.317 6.659 1.292 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.137 6.682 2.388 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.672 7.454 0.071 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.978 7.298 -0.353 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.273 9.080 1.785 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.096 8.787 3.087 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.530 9.077 1.425 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.260 5.379 -1.141 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.077 4.876 0.090 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.797 5.035 0.520 1.00 0.55 H new ATOM 876 N ALA A 54 -19.025 6.526 4.505 1.00 0.37 N ATOM 877 CA ALA A 54 -18.584 6.974 5.812 1.00 0.38 C ATOM 878 C ALA A 54 -17.265 6.317 6.181 1.00 0.33 C ATOM 879 O ALA A 54 -17.052 5.145 5.879 1.00 0.32 O ATOM 880 CB ALA A 54 -19.636 6.672 6.864 1.00 0.46 C ATOM 0 H ALA A 54 -19.767 5.826 4.524 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.436 8.053 5.772 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.286 7.016 7.837 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.563 7.186 6.609 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.815 5.597 6.901 1.00 0.46 H new ATOM 886 N SER A 55 -16.382 7.095 6.799 1.00 0.34 N ATOM 887 CA SER A 55 -15.095 6.611 7.272 1.00 0.34 C ATOM 888 C SER A 55 -15.239 5.316 8.079 1.00 0.32 C ATOM 889 O SER A 55 -15.627 5.332 9.250 1.00 0.36 O ATOM 890 CB SER A 55 -14.455 7.693 8.137 1.00 0.41 C ATOM 891 OG SER A 55 -14.644 8.978 7.569 1.00 1.42 O ATOM 0 H SER A 55 -16.543 8.085 6.986 1.00 0.34 H new ATOM 0 HA SER A 55 -14.466 6.390 6.409 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.888 7.667 9.137 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.389 7.493 8.246 1.00 0.41 H new ATOM 0 HG SER A 55 -13.774 9.360 7.328 1.00 1.42 H new ATOM 897 N LYS A 56 -14.942 4.199 7.436 1.00 0.30 N ATOM 898 CA LYS A 56 -15.039 2.898 8.073 1.00 0.31 C ATOM 899 C LYS A 56 -13.887 2.010 7.624 1.00 0.29 C ATOM 900 O LYS A 56 -13.741 1.729 6.435 1.00 0.27 O ATOM 901 CB LYS A 56 -16.377 2.238 7.720 1.00 0.34 C ATOM 902 CG LYS A 56 -16.580 0.874 8.360 1.00 0.40 C ATOM 903 CD LYS A 56 -17.855 0.214 7.864 1.00 0.51 C ATOM 904 CE LYS A 56 -18.073 -1.137 8.523 1.00 0.94 C ATOM 905 NZ LYS A 56 -19.306 -1.808 8.038 1.00 1.71 N ATOM 0 H LYS A 56 -14.629 4.169 6.466 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.984 3.030 9.154 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -17.188 2.897 8.028 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.445 2.134 6.637 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.726 0.234 8.136 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.622 0.981 9.444 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.706 0.863 8.071 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.805 0.089 6.782 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -17.213 -1.777 8.328 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -18.134 -1.006 9.603 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -19.413 -2.726 8.516 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -20.131 -1.211 8.247 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -19.239 -1.958 7.011 1.00 1.71 H new ATOM 919 N ASN A 57 -13.064 1.580 8.567 1.00 0.36 N ATOM 920 CA ASN A 57 -11.954 0.693 8.250 1.00 0.37 C ATOM 921 C ASN A 57 -12.447 -0.739 8.085 1.00 0.33 C ATOM 922 O ASN A 57 -13.166 -1.267 8.938 1.00 0.41 O ATOM 923 CB ASN A 57 -10.850 0.774 9.318 1.00 0.50 C ATOM 924 CG ASN A 57 -11.317 0.452 10.729 1.00 0.80 C ATOM 925 OD1 ASN A 57 -12.456 0.734 11.113 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.427 -0.131 11.518 1.00 1.13 N ATOM 0 H ASN A 57 -13.142 1.829 9.553 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.521 1.020 7.305 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -10.049 0.086 9.048 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.425 1.778 9.309 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -10.673 -0.363 12.480 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -9.496 -0.348 11.163 1.00 1.13 H new ATOM 933 N VAL A 58 -12.086 -1.351 6.968 1.00 0.28 N ATOM 934 CA VAL A 58 -12.523 -2.702 6.664 1.00 0.27 C ATOM 935 C VAL A 58 -11.328 -3.611 6.383 1.00 0.25 C ATOM 936 O VAL A 58 -10.332 -3.190 5.788 1.00 0.25 O ATOM 937 CB VAL A 58 -13.497 -2.726 5.461 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.667 -1.779 5.688 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.780 -2.395 4.162 1.00 0.57 C ATOM 0 H VAL A 58 -11.489 -0.931 6.255 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.053 -3.075 7.541 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.890 -3.739 5.376 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.336 -1.815 4.828 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.210 -2.080 6.584 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -14.293 -0.763 5.815 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.492 -2.420 3.337 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -12.341 -1.400 4.232 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.992 -3.127 3.984 1.00 0.57 H new ATOM 949 N LEU A 59 -11.424 -4.847 6.839 1.00 0.28 N ATOM 950 CA LEU A 59 -10.368 -5.823 6.656 1.00 0.26 C ATOM 951 C LEU A 59 -10.661 -6.669 5.418 1.00 0.26 C ATOM 952 O LEU A 59 -11.810 -7.050 5.179 1.00 0.30 O ATOM 953 CB LEU A 59 -10.278 -6.688 7.922 1.00 0.30 C ATOM 954 CG LEU A 59 -9.041 -7.577 8.076 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.237 -8.917 7.395 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.810 -6.876 7.538 1.00 0.67 C ATOM 0 H LEU A 59 -12.235 -5.201 7.346 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.409 -5.329 6.500 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.329 -6.027 8.787 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.160 -7.327 7.958 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.894 -7.764 9.140 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.341 -9.525 7.523 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.090 -9.430 7.840 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.421 -8.761 6.332 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.941 -7.524 7.656 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.953 -6.650 6.481 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.649 -5.949 8.089 1.00 0.67 H new ATOM 968 N THR A 60 -9.632 -6.952 4.630 1.00 0.22 N ATOM 969 CA THR A 60 -9.804 -7.715 3.401 1.00 0.22 C ATOM 970 C THR A 60 -9.942 -9.202 3.698 1.00 0.24 C ATOM 971 O THR A 60 -9.181 -9.761 4.481 1.00 0.33 O ATOM 972 CB THR A 60 -8.635 -7.493 2.421 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.388 -7.844 3.039 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.585 -6.047 1.964 1.00 0.24 C ATOM 0 H THR A 60 -8.672 -6.665 4.819 1.00 0.22 H new ATOM 0 HA THR A 60 -10.720 -7.355 2.932 1.00 0.22 H new ATOM 0 HB THR A 60 -8.798 -8.133 1.554 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.040 -8.664 2.631 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.753 -5.912 1.273 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.518 -5.792 1.462 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.448 -5.397 2.828 1.00 0.24 H new ATOM 982 N THR A 61 -10.909 -9.836 3.059 1.00 0.27 N ATOM 983 CA THR A 61 -11.204 -11.240 3.299 1.00 0.33 C ATOM 984 C THR A 61 -10.054 -12.144 2.854 1.00 0.33 C ATOM 985 O THR A 61 -9.805 -13.196 3.443 1.00 0.43 O ATOM 986 CB THR A 61 -12.488 -11.635 2.555 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.384 -11.233 1.181 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.695 -10.966 3.187 1.00 0.46 C ATOM 0 H THR A 61 -11.510 -9.396 2.362 1.00 0.27 H new ATOM 0 HA THR A 61 -11.340 -11.373 4.372 1.00 0.33 H new ATOM 0 HB THR A 61 -12.613 -12.716 2.617 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.202 -11.486 0.703 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.596 -11.257 2.647 1.00 0.46 H new ATOM 0 HG22 THR A 61 -13.779 -11.277 4.228 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.577 -9.883 3.140 1.00 0.46 H new ATOM 996 N SER A 62 -9.340 -11.711 1.828 1.00 0.28 N ATOM 997 CA SER A 62 -8.275 -12.511 1.246 1.00 0.31 C ATOM 998 C SER A 62 -6.925 -11.826 1.430 1.00 0.26 C ATOM 999 O SER A 62 -6.861 -10.604 1.593 1.00 0.24 O ATOM 1000 CB SER A 62 -8.556 -12.731 -0.238 1.00 0.41 C ATOM 1001 OG SER A 62 -9.886 -13.182 -0.435 1.00 1.09 O ATOM 0 H SER A 62 -9.480 -10.806 1.379 1.00 0.28 H new ATOM 0 HA SER A 62 -8.240 -13.475 1.754 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.397 -11.802 -0.785 1.00 0.41 H new ATOM 0 HB3 SER A 62 -7.855 -13.462 -0.641 1.00 0.41 H new ATOM 0 HG SER A 62 -10.048 -13.316 -1.392 1.00 1.09 H new ATOM 1007 N GLU A 63 -5.853 -12.612 1.423 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.513 -12.055 1.503 1.00 0.23 C ATOM 1009 C GLU A 63 -4.065 -11.589 0.129 1.00 0.24 C ATOM 1010 O GLU A 63 -4.234 -12.296 -0.865 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.503 -13.067 2.058 1.00 0.25 C ATOM 1012 CG GLU A 63 -3.915 -13.683 3.384 1.00 0.34 C ATOM 1013 CD GLU A 63 -2.809 -14.491 4.031 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -2.388 -15.502 3.436 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -2.353 -14.121 5.134 1.00 2.06 O ATOM 0 H GLU A 63 -5.888 -13.630 1.363 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.549 -11.209 2.190 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.362 -13.863 1.327 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.539 -12.573 2.182 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -4.225 -12.891 4.066 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.782 -14.325 3.226 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.509 -10.397 0.076 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.019 -9.850 -1.170 1.00 0.17 C ATOM 1024 C PHE A 64 -1.511 -9.984 -1.235 1.00 0.16 C ATOM 1025 O PHE A 64 -0.852 -10.230 -0.221 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.430 -8.387 -1.322 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.899 -8.192 -1.590 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.826 -8.312 -0.568 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.352 -7.890 -2.864 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.175 -8.136 -0.810 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.700 -7.713 -3.113 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.610 -7.832 -2.087 1.00 0.28 C ATOM 0 H PHE A 64 -3.385 -9.787 0.884 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.462 -10.412 -1.992 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.161 -7.848 -0.414 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.859 -7.942 -2.137 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.490 -8.546 0.431 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.643 -7.792 -3.673 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -7.887 -8.236 -0.004 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.039 -7.481 -4.112 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.663 -7.688 -2.279 1.00 0.28 H new ATOM 1042 N TYR A 65 -0.967 -9.823 -2.424 1.00 0.17 N ATOM 1043 CA TYR A 65 0.457 -9.984 -2.629 1.00 0.16 C ATOM 1044 C TYR A 65 1.171 -8.692 -2.284 1.00 0.16 C ATOM 1045 O TYR A 65 1.192 -7.754 -3.068 1.00 0.18 O ATOM 1046 CB TYR A 65 0.740 -10.390 -4.072 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.076 -11.580 -4.524 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.210 -12.855 -4.055 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.125 -11.428 -5.423 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.528 -13.946 -4.468 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.867 -12.516 -5.842 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.589 -13.760 -5.347 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.301 -14.861 -5.770 1.00 0.66 O ATOM 0 H TYR A 65 -1.491 -9.580 -3.265 1.00 0.17 H new ATOM 0 HA TYR A 65 0.828 -10.774 -1.976 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.533 -9.545 -4.728 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.800 -10.623 -4.177 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.022 -12.995 -3.357 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.364 -10.445 -5.800 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.283 -14.936 -4.111 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.664 -12.384 -6.558 1.00 0.51 H new ATOM 0 HH TYR A 65 -3.013 -14.576 -6.380 1.00 0.66 H new ATOM 1063 N LEU A 66 1.741 -8.644 -1.098 1.00 0.15 N ATOM 1064 CA LEU A 66 2.345 -7.426 -0.598 1.00 0.16 C ATOM 1065 C LEU A 66 3.849 -7.439 -0.813 1.00 0.16 C ATOM 1066 O LEU A 66 4.473 -8.504 -0.857 1.00 0.20 O ATOM 1067 CB LEU A 66 2.032 -7.259 0.889 1.00 0.18 C ATOM 1068 CG LEU A 66 0.546 -7.327 1.241 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.345 -7.157 2.736 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.242 -6.276 0.474 1.00 0.19 C ATOM 0 H LEU A 66 1.799 -9.438 -0.460 1.00 0.15 H new ATOM 0 HA LEU A 66 1.926 -6.585 -1.150 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.559 -8.033 1.446 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.427 -6.300 1.224 1.00 0.18 H new ATOM 0 HG LEU A 66 0.173 -8.309 0.951 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -0.719 -7.208 2.968 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.871 -7.951 3.266 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.738 -6.190 3.048 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.296 -6.345 0.742 1.00 0.19 H new ATOM 0 HD22 LEU A 66 0.133 -5.284 0.727 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.128 -6.445 -0.597 1.00 0.19 H new ATOM 1082 N SER A 67 4.417 -6.263 -0.967 1.00 0.17 N ATOM 1083 CA SER A 67 5.853 -6.112 -1.056 1.00 0.18 C ATOM 1084 C SER A 67 6.294 -5.053 -0.062 1.00 0.22 C ATOM 1085 O SER A 67 5.997 -3.865 -0.223 1.00 0.26 O ATOM 1086 CB SER A 67 6.261 -5.730 -2.480 1.00 0.22 C ATOM 1087 OG SER A 67 5.837 -6.717 -3.410 1.00 0.29 O ATOM 0 H SER A 67 3.899 -5.387 -1.034 1.00 0.17 H new ATOM 0 HA SER A 67 6.341 -7.057 -0.816 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.824 -4.766 -2.742 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.344 -5.615 -2.534 1.00 0.22 H new ATOM 0 HG SER A 67 6.585 -6.956 -3.997 1.00 0.29 H new ATOM 1093 N ASP A 68 6.981 -5.493 0.973 1.00 0.26 N ATOM 1094 CA ASP A 68 7.364 -4.615 2.062 1.00 0.34 C ATOM 1095 C ASP A 68 8.777 -4.106 1.867 1.00 0.29 C ATOM 1096 O ASP A 68 9.732 -4.881 1.847 1.00 0.34 O ATOM 1097 CB ASP A 68 7.258 -5.340 3.405 1.00 0.46 C ATOM 1098 CG ASP A 68 7.539 -4.418 4.574 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.698 -3.534 4.850 1.00 1.12 O ATOM 1100 OD2 ASP A 68 8.594 -4.581 5.229 1.00 2.01 O ATOM 0 H ASP A 68 7.287 -6.460 1.084 1.00 0.26 H new ATOM 0 HA ASP A 68 6.680 -3.767 2.064 1.00 0.34 H new ATOM 0 HB2 ASP A 68 6.259 -5.764 3.510 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.961 -6.173 3.423 1.00 0.46 H new ATOM 1105 N CYS A 69 8.904 -2.809 1.699 1.00 0.28 N ATOM 1106 CA CYS A 69 10.207 -2.197 1.592 1.00 0.26 C ATOM 1107 C CYS A 69 10.604 -1.609 2.932 1.00 0.30 C ATOM 1108 O CYS A 69 9.940 -0.714 3.445 1.00 0.35 O ATOM 1109 CB CYS A 69 10.187 -1.120 0.514 1.00 0.25 C ATOM 1110 SG CYS A 69 10.001 -1.782 -1.171 1.00 0.62 S ATOM 0 H CYS A 69 8.121 -2.159 1.634 1.00 0.28 H new ATOM 0 HA CYS A 69 10.942 -2.951 1.310 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.368 -0.429 0.717 1.00 0.25 H new ATOM 0 HB3 CYS A 69 11.111 -0.544 0.570 1.00 0.25 H new ATOM 1115 N ASN A 70 11.690 -2.114 3.488 1.00 0.35 N ATOM 1116 CA ASN A 70 12.136 -1.703 4.811 1.00 0.42 C ATOM 1117 C ASN A 70 13.603 -1.326 4.804 1.00 0.44 C ATOM 1118 O ASN A 70 14.425 -1.965 4.142 1.00 0.49 O ATOM 1119 CB ASN A 70 11.876 -2.815 5.836 1.00 0.51 C ATOM 1120 CG ASN A 70 12.350 -4.181 5.364 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.513 -4.552 5.542 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.441 -4.949 4.779 1.00 1.08 N ATOM 0 H ASN A 70 12.284 -2.814 3.043 1.00 0.35 H new ATOM 0 HA ASN A 70 11.563 -0.821 5.097 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.379 -2.565 6.770 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.808 -2.861 6.051 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.693 -5.884 4.458 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.489 -4.605 4.650 1.00 1.08 H new ATOM 1129 N VAL A 71 13.909 -0.260 5.527 1.00 0.47 N ATOM 1130 CA VAL A 71 15.263 0.248 5.641 1.00 0.51 C ATOM 1131 C VAL A 71 16.178 -0.768 6.318 1.00 0.56 C ATOM 1132 O VAL A 71 15.858 -1.318 7.378 1.00 0.60 O ATOM 1133 CB VAL A 71 15.267 1.592 6.404 1.00 0.54 C ATOM 1134 CG1 VAL A 71 16.669 2.000 6.820 1.00 0.90 C ATOM 1135 CG2 VAL A 71 14.662 2.684 5.545 1.00 0.82 C ATOM 0 H VAL A 71 13.220 0.278 6.053 1.00 0.47 H new ATOM 0 HA VAL A 71 15.650 0.419 4.637 1.00 0.51 H new ATOM 0 HB VAL A 71 14.669 1.455 7.305 1.00 0.54 H new ATOM 0 HG11 VAL A 71 16.628 2.950 7.353 1.00 0.90 H new ATOM 0 HG12 VAL A 71 17.092 1.236 7.472 1.00 0.90 H new ATOM 0 HG13 VAL A 71 17.294 2.108 5.934 1.00 0.90 H new ATOM 0 HG21 VAL A 71 14.671 3.626 6.094 1.00 0.82 H new ATOM 0 HG22 VAL A 71 15.245 2.792 4.630 1.00 0.82 H new ATOM 0 HG23 VAL A 71 13.635 2.421 5.292 1.00 0.82 H new ATOM 1145 N THR A 72 17.303 -1.018 5.670 1.00 0.58 N ATOM 1146 CA THR A 72 18.275 -1.992 6.132 1.00 0.64 C ATOM 1147 C THR A 72 19.259 -1.355 7.111 1.00 0.75 C ATOM 1148 O THR A 72 18.890 -0.502 7.921 1.00 0.93 O ATOM 1149 CB THR A 72 19.051 -2.578 4.933 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.599 -1.516 4.132 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.150 -3.452 4.075 1.00 0.78 C ATOM 0 H THR A 72 17.568 -0.548 4.804 1.00 0.58 H new ATOM 0 HA THR A 72 17.737 -2.790 6.643 1.00 0.64 H new ATOM 0 HB THR A 72 19.861 -3.194 5.324 1.00 0.71 H new ATOM 0 HG1 THR A 72 20.091 -1.898 3.375 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.722 -3.852 3.238 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.762 -4.275 4.676 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.319 -2.857 3.696 1.00 0.78 H new ATOM 1159 N SER A 73 20.513 -1.766 7.019 1.00 0.86 N ATOM 1160 CA SER A 73 21.567 -1.219 7.848 1.00 1.02 C ATOM 1161 C SER A 73 21.979 0.141 7.309 1.00 0.90 C ATOM 1162 O SER A 73 22.636 0.930 7.992 1.00 0.99 O ATOM 1163 CB SER A 73 22.754 -2.181 7.862 1.00 1.33 C ATOM 1164 OG SER A 73 22.984 -2.704 6.564 1.00 1.87 O ATOM 0 H SER A 73 20.825 -2.487 6.368 1.00 0.86 H new ATOM 0 HA SER A 73 21.210 -1.094 8.870 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.646 -1.663 8.215 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.561 -2.996 8.560 1.00 1.33 H new ATOM 0 HG SER A 73 23.748 -3.317 6.589 1.00 1.87 H new ATOM 1170 N ARG A 74 21.584 0.403 6.072 1.00 0.81 N ATOM 1171 CA ARG A 74 21.831 1.688 5.450 1.00 0.76 C ATOM 1172 C ARG A 74 20.588 2.555 5.500 1.00 0.68 C ATOM 1173 O ARG A 74 19.505 2.130 5.098 1.00 0.63 O ATOM 1174 CB ARG A 74 22.274 1.523 4.003 1.00 0.88 C ATOM 1175 CG ARG A 74 23.721 1.115 3.849 1.00 1.40 C ATOM 1176 CD ARG A 74 24.053 0.837 2.395 1.00 1.55 C ATOM 1177 NE ARG A 74 25.461 0.513 2.209 1.00 2.35 N ATOM 1178 CZ ARG A 74 25.891 -0.533 1.508 1.00 2.74 C ATOM 1179 NH1 ARG A 74 25.022 -1.373 0.965 1.00 2.41 N ATOM 1180 NH2 ARG A 74 27.191 -0.753 1.369 1.00 3.76 N ATOM 0 H ARG A 74 21.089 -0.263 5.479 1.00 0.81 H new ATOM 0 HA ARG A 74 22.631 2.173 6.009 1.00 0.76 H new ATOM 0 HB2 ARG A 74 21.643 0.775 3.523 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.113 2.463 3.475 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.368 1.905 4.229 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.918 0.226 4.448 1.00 1.40 H new ATOM 0 HD2 ARG A 74 23.440 0.011 2.035 1.00 1.55 H new ATOM 0 HD3 ARG A 74 23.799 1.709 1.792 1.00 1.55 H new ATOM 0 HE ARG A 74 26.156 1.122 2.640 1.00 2.35 H new ATOM 0 HH11 ARG A 74 24.021 -1.219 1.084 1.00 2.41 H new ATOM 0 HH12 ARG A 74 25.354 -2.174 0.428 1.00 2.41 H new ATOM 0 HH21 ARG A 74 27.864 -0.120 1.800 1.00 3.76 H new ATOM 0 HH22 ARG A 74 27.518 -1.556 0.831 1.00 3.76 H new ATOM 1194 N PRO A 75 20.734 3.782 5.999 1.00 0.74 N ATOM 1195 CA PRO A 75 19.642 4.752 6.038 1.00 0.74 C ATOM 1196 C PRO A 75 19.161 5.101 4.635 1.00 0.65 C ATOM 1197 O PRO A 75 19.975 5.318 3.730 1.00 0.70 O ATOM 1198 CB PRO A 75 20.258 5.981 6.717 1.00 0.92 C ATOM 1199 CG PRO A 75 21.502 5.492 7.377 1.00 1.05 C ATOM 1200 CD PRO A 75 21.976 4.318 6.571 1.00 0.92 C ATOM 0 HA PRO A 75 18.769 4.368 6.566 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.481 6.761 5.989 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.571 6.412 7.445 1.00 0.92 H new ATOM 0 HG2 PRO A 75 22.260 6.275 7.406 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.305 5.201 8.409 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.680 4.620 5.795 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.484 3.581 7.193 1.00 0.92 H new ATOM 1208 N CYS A 76 17.842 5.124 4.454 1.00 0.57 N ATOM 1209 CA CYS A 76 17.229 5.449 3.164 1.00 0.52 C ATOM 1210 C CYS A 76 17.498 4.345 2.123 1.00 0.51 C ATOM 1211 O CYS A 76 17.172 4.489 0.947 1.00 0.55 O ATOM 1212 CB CYS A 76 17.738 6.828 2.685 1.00 0.58 C ATOM 1213 SG CYS A 76 16.987 7.501 1.155 1.00 1.55 S ATOM 0 H CYS A 76 17.169 4.919 5.193 1.00 0.57 H new ATOM 0 HA CYS A 76 16.147 5.503 3.287 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.576 7.547 3.488 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.815 6.758 2.532 1.00 0.58 H new ATOM 1218 N LYS A 77 18.068 3.226 2.568 1.00 0.50 N ATOM 1219 CA LYS A 77 18.294 2.085 1.689 1.00 0.50 C ATOM 1220 C LYS A 77 17.474 0.890 2.153 1.00 0.47 C ATOM 1221 O LYS A 77 17.597 0.442 3.292 1.00 0.51 O ATOM 1222 CB LYS A 77 19.780 1.727 1.622 1.00 0.60 C ATOM 1223 CG LYS A 77 20.609 2.727 0.830 1.00 1.30 C ATOM 1224 CD LYS A 77 20.041 2.915 -0.565 1.00 1.57 C ATOM 1225 CE LYS A 77 20.912 3.818 -1.422 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.316 4.028 -2.766 1.00 2.60 N ATOM 0 H LYS A 77 18.380 3.088 3.529 1.00 0.50 H new ATOM 0 HA LYS A 77 17.972 2.360 0.685 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.176 1.660 2.635 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.888 0.740 1.172 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.628 3.684 1.352 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.640 2.380 0.764 1.00 1.30 H new ATOM 0 HD2 LYS A 77 19.941 1.943 -1.049 1.00 1.57 H new ATOM 0 HD3 LYS A 77 19.040 3.340 -0.494 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.041 4.780 -0.925 1.00 2.24 H new ATOM 0 HE3 LYS A 77 21.903 3.377 -1.527 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.023 4.457 -3.396 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 20.013 3.114 -3.158 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 19.494 4.660 -2.686 1.00 2.60 H new ATOM 1240 N TYR A 78 16.644 0.373 1.259 1.00 0.45 N ATOM 1241 CA TYR A 78 15.683 -0.657 1.621 1.00 0.47 C ATOM 1242 C TYR A 78 16.046 -2.004 1.031 1.00 0.52 C ATOM 1243 O TYR A 78 16.881 -2.107 0.132 1.00 0.59 O ATOM 1244 CB TYR A 78 14.280 -0.287 1.128 1.00 0.48 C ATOM 1245 CG TYR A 78 13.795 1.057 1.594 1.00 0.65 C ATOM 1246 CD1 TYR A 78 14.226 2.222 0.975 1.00 0.74 C ATOM 1247 CD2 TYR A 78 12.891 1.161 2.637 1.00 0.91 C ATOM 1248 CE1 TYR A 78 13.773 3.452 1.387 1.00 0.99 C ATOM 1249 CE2 TYR A 78 12.427 2.390 3.050 1.00 1.15 C ATOM 1250 CZ TYR A 78 12.874 3.527 2.420 1.00 1.17 C ATOM 1251 OH TYR A 78 12.403 4.744 2.807 1.00 1.44 O ATOM 0 H TYR A 78 16.617 0.650 0.278 1.00 0.45 H new ATOM 0 HA TYR A 78 15.700 -0.725 2.709 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.274 -0.304 0.038 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.577 -1.050 1.463 1.00 0.48 H new ATOM 0 HD1 TYR A 78 14.928 2.161 0.157 1.00 0.74 H new ATOM 0 HD2 TYR A 78 12.545 0.266 3.133 1.00 0.91 H new ATOM 0 HE1 TYR A 78 14.122 4.352 0.902 1.00 0.99 H new ATOM 0 HE2 TYR A 78 11.718 2.460 3.862 1.00 1.15 H new ATOM 0 HH TYR A 78 12.414 4.803 3.785 1.00 1.44 H new ATOM 1261 N LYS A 79 15.400 -3.027 1.558 1.00 0.53 N ATOM 1262 CA LYS A 79 15.449 -4.357 0.990 1.00 0.58 C ATOM 1263 C LYS A 79 14.025 -4.788 0.669 1.00 0.46 C ATOM 1264 O LYS A 79 13.112 -4.544 1.462 1.00 0.47 O ATOM 1265 CB LYS A 79 16.094 -5.332 1.976 1.00 0.78 C ATOM 1266 CG LYS A 79 16.761 -6.523 1.319 1.00 1.39 C ATOM 1267 CD LYS A 79 17.903 -6.083 0.414 1.00 2.02 C ATOM 1268 CE LYS A 79 18.663 -7.269 -0.152 1.00 2.63 C ATOM 1269 NZ LYS A 79 17.800 -8.144 -0.987 1.00 3.52 N ATOM 0 H LYS A 79 14.824 -2.956 2.397 1.00 0.53 H new ATOM 0 HA LYS A 79 16.051 -4.355 0.081 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.835 -4.796 2.569 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.331 -5.691 2.667 1.00 0.78 H new ATOM 0 HG2 LYS A 79 17.140 -7.199 2.085 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.026 -7.080 0.737 1.00 1.39 H new ATOM 0 HD2 LYS A 79 17.507 -5.481 -0.404 1.00 2.02 H new ATOM 0 HD3 LYS A 79 18.587 -5.447 0.976 1.00 2.02 H new ATOM 0 HE2 LYS A 79 19.500 -6.909 -0.751 1.00 2.63 H new ATOM 0 HE3 LYS A 79 19.084 -7.852 0.667 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 18.384 -8.871 -1.447 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 17.086 -8.603 -0.386 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 17.325 -7.571 -1.713 1.00 3.52 H new ATOM 1283 N LEU A 80 13.829 -5.398 -0.488 1.00 0.45 N ATOM 1284 CA LEU A 80 12.495 -5.786 -0.922 1.00 0.41 C ATOM 1285 C LEU A 80 12.056 -7.064 -0.208 1.00 0.42 C ATOM 1286 O LEU A 80 12.872 -7.939 0.085 1.00 0.49 O ATOM 1287 CB LEU A 80 12.473 -5.960 -2.449 1.00 0.50 C ATOM 1288 CG LEU A 80 11.087 -6.025 -3.106 1.00 0.58 C ATOM 1289 CD1 LEU A 80 10.513 -7.431 -3.055 1.00 1.34 C ATOM 1290 CD2 LEU A 80 10.135 -5.045 -2.443 1.00 0.74 C ATOM 0 H LEU A 80 14.574 -5.635 -1.143 1.00 0.45 H new ATOM 0 HA LEU A 80 11.787 -5.000 -0.659 1.00 0.41 H new ATOM 0 HB2 LEU A 80 13.025 -5.133 -2.896 1.00 0.50 H new ATOM 0 HB3 LEU A 80 13.012 -6.874 -2.697 1.00 0.50 H new ATOM 0 HG LEU A 80 11.206 -5.748 -4.153 1.00 0.58 H new ATOM 0 HD11 LEU A 80 9.531 -7.441 -3.529 1.00 1.34 H new ATOM 0 HD12 LEU A 80 11.178 -8.115 -3.583 1.00 1.34 H new ATOM 0 HD13 LEU A 80 10.418 -7.748 -2.016 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.158 -5.106 -2.922 1.00 0.74 H new ATOM 0 HD22 LEU A 80 10.036 -5.292 -1.386 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.526 -4.033 -2.544 1.00 0.74 H new ATOM 1302 N LYS A 81 10.767 -7.157 0.081 1.00 0.40 N ATOM 1303 CA LYS A 81 10.220 -8.288 0.820 1.00 0.44 C ATOM 1304 C LYS A 81 8.873 -8.707 0.239 1.00 0.38 C ATOM 1305 O LYS A 81 7.885 -7.988 0.367 1.00 0.36 O ATOM 1306 CB LYS A 81 10.056 -7.909 2.293 1.00 0.49 C ATOM 1307 CG LYS A 81 9.614 -9.051 3.189 1.00 0.60 C ATOM 1308 CD LYS A 81 9.523 -8.593 4.634 1.00 0.71 C ATOM 1309 CE LYS A 81 9.019 -9.692 5.553 1.00 1.18 C ATOM 1310 NZ LYS A 81 8.969 -9.238 6.968 1.00 1.87 N ATOM 0 H LYS A 81 10.074 -6.458 -0.187 1.00 0.40 H new ATOM 0 HA LYS A 81 10.909 -9.128 0.736 1.00 0.44 H new ATOM 0 HB2 LYS A 81 11.004 -7.519 2.663 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.328 -7.101 2.369 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.645 -9.425 2.859 1.00 0.60 H new ATOM 0 HG3 LYS A 81 10.319 -9.878 3.108 1.00 0.60 H new ATOM 0 HD2 LYS A 81 10.505 -8.262 4.971 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.857 -7.733 4.700 1.00 0.71 H new ATOM 0 HE2 LYS A 81 8.025 -10.006 5.235 1.00 1.18 H new ATOM 0 HE3 LYS A 81 9.670 -10.563 5.472 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 8.621 -10.012 7.569 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 9.923 -8.961 7.278 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 8.329 -8.422 7.048 1.00 1.87 H new ATOM 1324 N LYS A 82 8.841 -9.859 -0.412 1.00 0.40 N ATOM 1325 CA LYS A 82 7.614 -10.362 -1.012 1.00 0.37 C ATOM 1326 C LYS A 82 6.837 -11.207 -0.008 1.00 0.36 C ATOM 1327 O LYS A 82 7.339 -12.222 0.481 1.00 0.46 O ATOM 1328 CB LYS A 82 7.948 -11.189 -2.252 1.00 0.47 C ATOM 1329 CG LYS A 82 8.808 -10.436 -3.251 1.00 0.54 C ATOM 1330 CD LYS A 82 9.318 -11.339 -4.360 1.00 0.76 C ATOM 1331 CE LYS A 82 10.243 -10.581 -5.299 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.775 -11.447 -6.387 1.00 1.10 N ATOM 0 H LYS A 82 9.652 -10.465 -0.539 1.00 0.40 H new ATOM 0 HA LYS A 82 6.991 -9.516 -1.304 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.466 -12.098 -1.947 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.022 -11.497 -2.737 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.229 -9.621 -3.685 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.654 -9.985 -2.733 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.849 -12.187 -3.928 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.475 -11.743 -4.921 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.704 -9.741 -5.737 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.074 -10.165 -4.730 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.400 -10.888 -7.002 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.312 -12.235 -5.972 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 9.985 -11.824 -6.948 1.00 1.10 H new ATOM 1346 N SER A 83 5.619 -10.785 0.300 1.00 0.31 N ATOM 1347 CA SER A 83 4.785 -11.484 1.269 1.00 0.36 C ATOM 1348 C SER A 83 3.339 -11.551 0.781 1.00 0.31 C ATOM 1349 O SER A 83 2.998 -10.978 -0.255 1.00 0.50 O ATOM 1350 CB SER A 83 4.842 -10.756 2.615 1.00 0.46 C ATOM 1351 OG SER A 83 6.181 -10.580 3.049 1.00 1.12 O ATOM 0 H SER A 83 5.184 -9.958 -0.109 1.00 0.31 H new ATOM 0 HA SER A 83 5.161 -12.500 1.387 1.00 0.36 H new ATOM 0 HB2 SER A 83 4.355 -9.785 2.526 1.00 0.46 H new ATOM 0 HB3 SER A 83 4.287 -11.324 3.362 1.00 0.46 H new ATOM 0 HG SER A 83 6.187 -10.111 3.910 1.00 1.12 H new ATOM 1357 N THR A 84 2.503 -12.274 1.507 1.00 0.25 N ATOM 1358 CA THR A 84 1.085 -12.351 1.204 1.00 0.23 C ATOM 1359 C THR A 84 0.283 -12.259 2.499 1.00 0.22 C ATOM 1360 O THR A 84 0.432 -13.098 3.382 1.00 0.29 O ATOM 1361 CB THR A 84 0.749 -13.670 0.482 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.763 -13.956 -0.490 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.604 -13.589 -0.209 1.00 0.27 C ATOM 0 H THR A 84 2.787 -12.822 2.319 1.00 0.25 H new ATOM 0 HA THR A 84 0.825 -11.521 0.547 1.00 0.23 H new ATOM 0 HB THR A 84 0.708 -14.466 1.226 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.550 -14.796 -0.948 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.814 -14.534 -0.710 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.379 -13.391 0.531 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.590 -12.784 -0.944 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.541 -11.230 2.623 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.351 -11.047 3.821 1.00 0.18 C ATOM 1373 C ASN A 85 -2.524 -10.133 3.515 1.00 0.17 C ATOM 1374 O ASN A 85 -2.518 -9.415 2.514 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.524 -10.452 4.961 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.013 -10.877 6.337 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.206 -11.085 6.561 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.086 -11.023 7.270 1.00 0.37 N ATOM 0 H ASN A 85 -0.668 -10.510 1.912 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.717 -12.025 4.135 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.517 -10.753 4.843 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.551 -9.364 4.892 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.351 -11.317 8.210 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.893 -10.842 7.049 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.538 -10.188 4.360 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.688 -9.316 4.233 1.00 0.19 C ATOM 1387 C LYS A 86 -4.313 -7.942 4.763 1.00 0.18 C ATOM 1388 O LYS A 86 -3.221 -7.765 5.295 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.870 -9.885 5.026 1.00 0.24 C ATOM 1390 CG LYS A 86 -5.868 -11.404 5.116 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.174 -11.938 5.676 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.025 -13.365 6.173 1.00 0.55 C ATOM 1393 NZ LYS A 86 -6.126 -13.449 7.355 1.00 1.17 N ATOM 0 H LYS A 86 -3.586 -10.834 5.148 1.00 0.19 H new ATOM 0 HA LYS A 86 -4.984 -9.240 3.187 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.854 -9.470 6.034 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.800 -9.558 4.561 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -5.698 -11.826 4.126 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.042 -11.729 5.748 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.508 -11.300 6.494 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -7.944 -11.899 4.906 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -8.006 -13.763 6.434 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.630 -13.989 5.371 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -6.340 -14.313 7.893 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -5.136 -13.476 7.037 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -6.272 -12.617 7.962 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.194 -6.972 4.622 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.930 -5.653 5.168 1.00 0.18 C ATOM 1409 C PHE A 87 -6.219 -4.889 5.411 1.00 0.18 C ATOM 1410 O PHE A 87 -7.223 -5.095 4.729 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.979 -4.860 4.259 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.426 -4.741 2.826 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.335 -3.767 2.447 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.929 -5.596 1.858 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.742 -3.650 1.132 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.331 -5.483 0.541 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.240 -4.511 0.177 1.00 0.20 C ATOM 0 H PHE A 87 -6.088 -7.068 4.141 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.439 -5.785 6.132 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.857 -3.858 4.671 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.998 -5.335 4.280 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.731 -3.090 3.189 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.218 -6.361 2.135 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.452 -2.886 0.852 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.933 -6.156 -0.204 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.558 -4.424 -0.852 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.191 -4.036 6.416 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.338 -3.232 6.771 1.00 0.20 C ATOM 1429 C CYS A 88 -7.193 -1.844 6.163 1.00 0.20 C ATOM 1430 O CYS A 88 -6.227 -1.130 6.450 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.456 -3.136 8.296 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.943 -2.260 8.878 1.00 0.49 S ATOM 0 H CYS A 88 -5.374 -3.883 7.007 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.243 -3.698 6.381 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.455 -4.143 8.713 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.574 -2.629 8.686 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.122 -1.474 5.305 1.00 0.21 N ATOM 1438 CA VAL A 89 -8.115 -0.153 4.705 1.00 0.22 C ATOM 1439 C VAL A 89 -9.273 0.670 5.240 1.00 0.24 C ATOM 1440 O VAL A 89 -10.379 0.161 5.413 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.182 -0.207 3.160 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.843 -0.646 2.589 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.295 -1.138 2.689 1.00 0.20 C ATOM 0 H VAL A 89 -8.894 -2.070 5.006 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.170 0.317 4.976 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.407 0.795 2.796 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.905 -0.680 1.501 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -6.070 0.063 2.887 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.593 -1.636 2.969 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.318 -1.156 1.599 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.111 -2.145 3.064 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.253 -0.780 3.066 1.00 0.20 H new ATOM 1453 N THR A 90 -9.010 1.927 5.545 1.00 0.26 N ATOM 1454 CA THR A 90 -10.061 2.811 5.995 1.00 0.28 C ATOM 1455 C THR A 90 -10.820 3.330 4.783 1.00 0.25 C ATOM 1456 O THR A 90 -10.298 4.149 4.014 1.00 0.25 O ATOM 1457 CB THR A 90 -9.502 4.001 6.789 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.546 3.540 7.748 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.616 4.753 7.504 1.00 0.40 C ATOM 0 H THR A 90 -8.085 2.353 5.489 1.00 0.26 H new ATOM 0 HA THR A 90 -10.722 2.248 6.654 1.00 0.28 H new ATOM 0 HB THR A 90 -9.020 4.681 6.086 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.192 4.304 8.250 1.00 0.35 H new ATOM 0 HG21 THR A 90 -10.192 5.590 8.058 1.00 0.40 H new ATOM 0 HG22 THR A 90 -11.331 5.127 6.771 1.00 0.40 H new ATOM 0 HG23 THR A 90 -11.124 4.080 8.195 1.00 0.40 H new ATOM 1467 N CYS A 91 -12.030 2.840 4.597 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.834 3.218 3.453 1.00 0.22 C ATOM 1469 C CYS A 91 -13.613 4.491 3.725 1.00 0.25 C ATOM 1470 O CYS A 91 -14.278 4.613 4.752 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.776 2.076 3.102 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.904 0.544 2.660 1.00 0.20 S ATOM 0 H CYS A 91 -12.479 2.176 5.227 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.174 3.415 2.609 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.433 1.881 3.949 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.411 2.379 2.269 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.503 5.443 2.812 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.211 6.702 2.931 1.00 0.29 C ATOM 1479 C GLU A 92 -14.591 7.203 1.542 1.00 0.27 C ATOM 1480 O GLU A 92 -13.750 7.249 0.646 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.330 7.731 3.634 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.083 8.687 4.534 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.219 9.845 4.980 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.192 10.877 4.277 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -12.568 9.727 6.039 1.00 0.76 O ATOM 0 H GLU A 92 -12.925 5.364 1.975 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.115 6.553 3.521 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.581 7.206 4.227 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.793 8.307 2.881 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.957 9.069 4.007 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.448 8.149 5.409 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.862 7.550 1.368 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.383 8.030 0.084 1.00 0.31 C ATOM 1494 C ASN A 93 -16.169 6.993 -1.019 1.00 0.28 C ATOM 1495 O ASN A 93 -15.973 7.342 -2.184 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.732 9.366 -0.309 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.055 10.487 0.665 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.062 11.184 0.523 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.196 10.675 1.651 1.00 0.65 N ATOM 0 H ASN A 93 -16.562 7.508 2.109 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.455 8.189 0.202 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.651 9.237 -0.362 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.068 9.649 -1.306 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.354 11.419 2.330 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.375 10.076 1.733 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.229 5.718 -0.627 1.00 0.26 N ATOM 1507 CA GLN A 94 -16.108 4.584 -1.548 1.00 0.25 C ATOM 1508 C GLN A 94 -14.687 4.426 -2.083 1.00 0.22 C ATOM 1509 O GLN A 94 -14.474 3.820 -3.134 1.00 0.26 O ATOM 1510 CB GLN A 94 -17.108 4.702 -2.704 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.553 4.553 -2.267 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.529 4.535 -3.430 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.694 4.903 -3.286 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -19.055 4.129 -4.595 1.00 0.48 N ATOM 0 H GLN A 94 -16.364 5.441 0.345 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.343 3.687 -0.976 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.980 5.670 -3.188 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.881 3.940 -3.450 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.660 3.631 -1.696 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.810 5.374 -1.597 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.083 3.831 -4.674 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.662 4.113 -5.415 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.717 4.947 -1.349 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.320 4.799 -1.727 1.00 0.19 C ATOM 1525 C ALA A 95 -11.425 4.623 -0.503 1.00 0.17 C ATOM 1526 O ALA A 95 -11.631 5.271 0.525 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.868 6.000 -2.544 1.00 0.21 C ATOM 0 H ALA A 95 -13.870 5.475 -0.490 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.231 3.899 -2.335 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.821 5.878 -2.821 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.476 6.076 -3.446 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.983 6.907 -1.951 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.455 3.699 -0.584 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.419 3.546 0.443 1.00 0.17 C ATOM 1535 C PRO A 96 -8.557 4.800 0.558 1.00 0.19 C ATOM 1536 O PRO A 96 -7.770 5.110 -0.335 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.571 2.367 -0.042 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.383 1.681 -1.088 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.318 2.709 -1.662 1.00 0.17 C ATOM 0 HA PRO A 96 -9.851 3.382 1.430 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.620 2.711 -0.449 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.339 1.689 0.779 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.741 1.267 -1.865 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.941 0.849 -0.659 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.911 3.158 -2.568 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.280 2.271 -1.927 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.720 5.534 1.650 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.996 6.787 1.833 1.00 0.24 C ATOM 1549 C VAL A 97 -6.992 6.708 2.980 1.00 0.27 C ATOM 1550 O VAL A 97 -6.081 7.527 3.075 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.957 7.963 2.087 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.830 8.219 0.867 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.813 7.686 3.308 1.00 0.35 C ATOM 0 H VAL A 97 -9.343 5.287 2.419 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.453 6.960 0.904 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.365 8.859 2.273 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.501 9.054 1.069 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.199 8.459 0.012 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.416 7.327 0.646 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.488 8.525 3.477 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.395 6.779 3.146 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -9.172 7.555 4.180 1.00 0.35 H new ATOM 1563 N HIS A 98 -7.160 5.733 3.858 1.00 0.30 N ATOM 1564 CA HIS A 98 -6.240 5.559 4.974 1.00 0.35 C ATOM 1565 C HIS A 98 -5.867 4.093 5.109 1.00 0.31 C ATOM 1566 O HIS A 98 -6.713 3.216 4.937 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.851 6.068 6.288 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.977 7.560 6.386 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -8.007 8.384 6.083 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -5.972 8.370 6.861 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -7.611 9.664 6.374 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -6.377 9.627 6.843 1.00 0.82 N flip ATOM 0 H HIS A 98 -7.919 5.053 3.822 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.345 6.147 4.770 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.840 5.625 6.408 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -6.240 5.714 7.118 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -5.003 8.031 7.196 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -8.208 10.554 6.242 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -5.829 10.434 7.141 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.605 3.829 5.398 1.00 0.31 N ATOM 1582 CA PHE A 99 -4.126 2.464 5.529 1.00 0.29 C ATOM 1583 C PHE A 99 -3.928 2.123 6.999 1.00 0.29 C ATOM 1584 O PHE A 99 -3.111 2.738 7.685 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.818 2.283 4.753 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.369 0.851 4.645 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -3.034 -0.030 3.806 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.287 0.387 5.375 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.630 -1.345 3.697 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.878 -0.929 5.270 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.549 -1.795 4.430 1.00 0.31 C ATOM 0 H PHE A 99 -3.892 4.543 5.547 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.869 1.785 5.110 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.942 2.692 3.750 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -2.034 2.864 5.239 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.879 0.317 3.230 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.758 1.060 6.033 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.158 -2.021 3.040 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.034 -1.280 5.845 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.229 -2.823 4.346 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.688 1.147 7.475 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.643 0.749 8.874 1.00 0.28 C ATOM 1603 C VAL A 100 -3.439 -0.154 9.139 1.00 0.28 C ATOM 1604 O VAL A 100 -2.508 0.222 9.855 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.945 0.021 9.287 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.873 -0.446 10.732 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -7.160 0.919 9.071 1.00 0.29 C ATOM 0 H VAL A 100 -5.347 0.613 6.908 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.546 1.654 9.473 1.00 0.28 H new ATOM 0 HB VAL A 100 -6.053 -0.859 8.652 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.800 -0.954 10.997 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -5.036 -1.134 10.851 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.732 0.415 11.386 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -8.063 0.386 9.368 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -7.057 1.822 9.673 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.229 1.191 8.018 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.459 -1.336 8.551 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.348 -2.258 8.684 1.00 0.29 C ATOM 1619 C GLY A 101 -2.666 -3.578 8.043 1.00 0.25 C ATOM 1620 O GLY A 101 -3.796 -3.788 7.602 1.00 0.28 O ATOM 0 H GLY A 101 -4.230 -1.679 7.978 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.458 -1.830 8.222 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.119 -2.408 9.739 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.698 -4.474 7.986 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.921 -5.759 7.356 1.00 0.22 C ATOM 1626 C VAL A 102 -2.359 -6.787 8.391 1.00 0.24 C ATOM 1627 O VAL A 102 -2.085 -6.644 9.584 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.681 -6.271 6.582 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.045 -5.124 5.897 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.265 -7.065 7.476 1.00 0.25 C ATOM 0 H VAL A 102 -0.761 -4.337 8.364 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.716 -5.618 6.623 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.041 -6.954 5.813 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.912 -5.511 5.361 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.629 -4.635 5.193 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.373 -4.403 6.645 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.120 -7.404 6.891 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.612 -6.431 8.292 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.260 -7.928 7.885 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.060 -7.802 7.927 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.527 -8.850 8.805 1.00 0.29 C ATOM 1642 C GLY A 103 -4.962 -8.647 9.239 1.00 0.28 C ATOM 1643 O GLY A 103 -5.850 -9.406 8.848 1.00 0.34 O ATOM 0 H GLY A 103 -3.317 -7.921 6.947 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.437 -9.811 8.298 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.887 -8.893 9.686 1.00 0.29 H new ATOM 1647 N SER A 104 -5.193 -7.614 10.034 1.00 0.33 N ATOM 1648 CA SER A 104 -6.517 -7.332 10.561 1.00 0.32 C ATOM 1649 C SER A 104 -6.675 -5.847 10.871 1.00 0.39 C ATOM 1650 O SER A 104 -5.740 -5.061 10.699 1.00 0.59 O ATOM 1651 CB SER A 104 -6.750 -8.171 11.819 1.00 0.45 C ATOM 1652 OG SER A 104 -5.625 -8.122 12.682 1.00 1.38 O ATOM 0 H SER A 104 -4.474 -6.953 10.330 1.00 0.33 H new ATOM 0 HA SER A 104 -7.261 -7.594 9.809 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.632 -7.806 12.345 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.952 -9.205 11.538 1.00 0.45 H new ATOM 0 HG SER A 104 -5.800 -8.665 13.479 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.865 -5.471 11.309 1.00 0.39 N ATOM 1659 CA CYS A 105 -8.136 -4.099 11.711 1.00 0.53 C ATOM 1660 C CYS A 105 -7.819 -3.922 13.189 1.00 0.48 C ATOM 1661 O CYS A 105 -6.716 -3.435 13.509 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.600 -3.742 11.447 1.00 0.82 C ATOM 1663 SG CYS A 105 -10.074 -3.736 9.690 1.00 1.01 S ATOM 1664 OXT CYS A 105 -8.662 -4.297 14.031 1.00 1.20 O ATOM 0 H CYS A 105 -8.663 -6.100 11.396 1.00 0.39 H new ATOM 0 HA CYS A 105 -7.504 -3.432 11.124 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -10.235 -4.451 11.978 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.801 -2.757 11.867 1.00 0.82 H new