USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 972 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 54 ASN : amide:sc= 0.101 X(o=-0.12,f=-0.13) USER MOD Set 1.2: A 64 TYR OH : rot 33:sc= -0.22 USER MOD Set 1.3: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.00134 X(o=0.0024,f=-0.45) USER MOD Set 2.2: A 35 HIS : no HD1:sc= 0.00105 X(o=0.0024,f=-0.22) USER MOD Set 3.1: A 6 GLN : amide:sc= -0.0279 X(o=-1.4,f=-1.4) USER MOD Set 3.2: A 9 ASN : amide:sc= 0.589 K(o=-1.4,f=-0.38) USER MOD Set 3.3: A 13 CYS SG : rot -160:sc= -1.96! USER MOD Single : A 1 MET CE :methyl 165:sc= -0.214 (180deg=-0.576) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.315 (180deg=0.279) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0829) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.393 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= -0.018 (180deg=-0.11) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.587 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -34:sc= -0.593 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 0.762 (180deg=0.571) USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 48 ASN : amide:sc= 0.871 K(o=0.87,f=0) USER MOD Single : A 49 THR OG1 : rot -75:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= -0.603 (180deg=-0.666) USER MOD Single : A 58 ASN : amide:sc= -0.0713 K(o=-0.071,f=-7.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0.0173 (180deg=0.017) USER MOD Single : A 71 ASN : amide:sc= 0.169 K(o=0.17,f=-1.2!) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= -0.555 (180deg=-2.49!) USER MOD Single : A 74 GLN : amide:sc= -0.881 K(o=-0.88,f=0.16) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0.476 (180deg=0.447) USER MOD Single : A 86 SER OG : rot 76:sc= 0.761 USER MOD Single : A 87 SER OG : rot 72:sc= 0.862 USER MOD Single : A 90 MET CE :methyl -121:sc= -3.41 (180deg=-4.5!) USER MOD Single : A 93 LYS NZ :NH3+ -125:sc= -0.0985 (180deg=-1.06) USER MOD Single : A 99 MET CE :methyl 174:sc= -0.661 (180deg=-0.74) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -83:sc= 0.27 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 112 TYR OH : rot 71:sc= 1.02 USER MOD Single : A 113 LYS NZ :NH3+ 167:sc= 0.346 (180deg=0.278) USER MOD Single : A 115 THR OG1 : rot 84:sc= 0.53 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.827 -0.363 0.813 1.00 0.00 N ATOM 2 CA MET A 1 2.248 -0.381 -0.610 1.00 0.00 C ATOM 3 C MET A 1 3.402 -1.384 -0.823 1.00 0.00 C ATOM 4 O MET A 1 3.661 -2.222 0.049 1.00 0.00 O ATOM 5 CB MET A 1 2.620 1.057 -1.069 1.00 0.00 C ATOM 6 CG MET A 1 3.701 1.759 -0.238 1.00 0.00 C ATOM 7 SD MET A 1 3.988 3.468 -0.756 1.00 0.00 S ATOM 8 CE MET A 1 2.406 4.236 -0.410 1.00 0.00 C ATOM 0 H1 MET A 1 1.109 0.377 0.953 1.00 0.00 H new ATOM 0 H2 MET A 1 1.425 -1.288 1.068 1.00 0.00 H new ATOM 0 H3 MET A 1 2.651 -0.165 1.416 1.00 0.00 H new ATOM 0 HA MET A 1 1.418 -0.720 -1.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.955 1.013 -2.105 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.718 1.669 -1.051 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.410 1.747 0.812 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.633 1.199 -0.317 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.517 5.320 -0.426 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.682 3.934 -1.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.056 3.922 0.573 1.00 0.00 H new ATOM 18 N ILE A 2 4.060 -1.316 -2.006 1.00 0.00 N ATOM 19 CA ILE A 2 5.179 -2.214 -2.381 1.00 0.00 C ATOM 20 C ILE A 2 6.315 -2.149 -1.346 1.00 0.00 C ATOM 21 O ILE A 2 7.066 -1.183 -1.316 1.00 0.00 O ATOM 22 CB ILE A 2 5.722 -1.851 -3.818 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.598 -2.054 -4.882 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.007 -2.649 -4.186 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.931 -1.546 -6.273 1.00 0.00 C ATOM 0 H ILE A 2 3.829 -0.635 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 2 4.798 -3.235 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 2 6.009 -0.800 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.367 -3.117 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.695 -1.552 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.340 -2.363 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.793 -2.427 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.790 -3.717 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.089 -1.732 -6.940 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.131 -0.475 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.813 -2.065 -6.649 1.00 0.00 H new ATOM 37 N LYS A 3 6.402 -3.189 -0.505 1.00 0.00 N ATOM 38 CA LYS A 3 7.359 -3.273 0.617 1.00 0.00 C ATOM 39 C LYS A 3 8.813 -3.297 0.115 1.00 0.00 C ATOM 40 O LYS A 3 9.383 -4.363 -0.141 1.00 0.00 O ATOM 41 CB LYS A 3 7.046 -4.515 1.490 1.00 0.00 C ATOM 42 CG LYS A 3 5.578 -4.602 1.941 1.00 0.00 C ATOM 43 CD LYS A 3 5.145 -3.419 2.835 1.00 0.00 C ATOM 44 CE LYS A 3 3.666 -3.509 3.239 1.00 0.00 C ATOM 45 NZ LYS A 3 3.373 -4.737 4.026 1.00 0.00 N ATOM 0 H LYS A 3 5.802 -4.010 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 3 7.247 -2.380 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.298 -5.415 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.687 -4.499 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.936 -4.638 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.426 -5.534 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.764 -3.398 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.319 -2.482 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.397 -2.631 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.045 -3.496 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.406 -4.684 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.458 -5.572 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.050 -4.815 4.812 1.00 0.00 H new ATOM 59 N PHE A 4 9.373 -2.096 -0.053 1.00 0.00 N ATOM 60 CA PHE A 4 10.740 -1.903 -0.535 1.00 0.00 C ATOM 61 C PHE A 4 11.705 -2.005 0.655 1.00 0.00 C ATOM 62 O PHE A 4 11.932 -1.027 1.385 1.00 0.00 O ATOM 63 CB PHE A 4 10.873 -0.538 -1.276 1.00 0.00 C ATOM 64 CG PHE A 4 12.303 -0.184 -1.703 1.00 0.00 C ATOM 65 CD1 PHE A 4 13.001 -0.996 -2.591 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.952 0.950 -1.199 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.297 -0.692 -2.962 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.250 1.252 -1.571 1.00 0.00 C ATOM 69 CZ PHE A 4 14.920 0.433 -2.452 1.00 0.00 C ATOM 0 H PHE A 4 8.884 -1.223 0.144 1.00 0.00 H new ATOM 0 HA PHE A 4 10.993 -2.680 -1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.237 -0.556 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.495 0.252 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.524 -1.876 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.432 1.598 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.825 -1.334 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.737 2.129 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.932 0.669 -2.745 1.00 0.00 H new ATOM 79 N TYR A 5 12.228 -3.213 0.871 1.00 0.00 N ATOM 80 CA TYR A 5 13.211 -3.460 1.919 1.00 0.00 C ATOM 81 C TYR A 5 14.596 -2.999 1.448 1.00 0.00 C ATOM 82 O TYR A 5 14.979 -3.198 0.287 1.00 0.00 O ATOM 83 CB TYR A 5 13.208 -4.945 2.331 1.00 0.00 C ATOM 84 CG TYR A 5 11.969 -5.353 3.161 1.00 0.00 C ATOM 85 CD1 TYR A 5 11.959 -5.225 4.554 1.00 0.00 C ATOM 86 CD2 TYR A 5 10.817 -5.861 2.556 1.00 0.00 C ATOM 87 CE1 TYR A 5 10.856 -5.595 5.302 1.00 0.00 C ATOM 88 CE2 TYR A 5 9.715 -6.232 3.304 1.00 0.00 C ATOM 89 CZ TYR A 5 9.740 -6.099 4.672 1.00 0.00 C ATOM 90 OH TYR A 5 8.637 -6.461 5.418 1.00 0.00 O ATOM 0 H TYR A 5 11.982 -4.040 0.327 1.00 0.00 H new ATOM 0 HA TYR A 5 12.946 -2.883 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.254 -5.563 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.108 -5.155 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.830 -4.829 5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.786 -5.966 1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.870 -5.489 6.377 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.836 -6.625 2.815 1.00 0.00 H new ATOM 0 HH TYR A 5 7.935 -6.797 4.822 1.00 0.00 H new ATOM 100 N GLN A 6 15.316 -2.341 2.359 1.00 0.00 N ATOM 101 CA GLN A 6 16.667 -1.812 2.121 1.00 0.00 C ATOM 102 C GLN A 6 17.420 -1.755 3.455 1.00 0.00 C ATOM 103 O GLN A 6 16.886 -2.176 4.466 1.00 0.00 O ATOM 104 CB GLN A 6 16.568 -0.422 1.408 1.00 0.00 C ATOM 105 CG GLN A 6 15.542 0.578 2.014 1.00 0.00 C ATOM 106 CD GLN A 6 15.987 1.249 3.321 1.00 0.00 C ATOM 107 OE1 GLN A 6 17.173 1.490 3.537 1.00 0.00 O ATOM 108 NE2 GLN A 6 15.036 1.564 4.189 1.00 0.00 N ATOM 0 H GLN A 6 14.973 -2.156 3.302 1.00 0.00 H new ATOM 0 HA GLN A 6 17.233 -2.464 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.553 0.044 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.310 -0.589 0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.334 1.354 1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.605 0.050 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.061 1.350 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.279 2.021 5.068 1.00 0.00 H new ATOM 117 N TYR A 7 18.668 -1.281 3.451 1.00 0.00 N ATOM 118 CA TYR A 7 19.391 -0.948 4.695 1.00 0.00 C ATOM 119 C TYR A 7 20.602 -0.087 4.338 1.00 0.00 C ATOM 120 O TYR A 7 21.519 -0.566 3.649 1.00 0.00 O ATOM 121 CB TYR A 7 19.824 -2.209 5.487 1.00 0.00 C ATOM 122 CG TYR A 7 20.310 -1.903 6.919 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.423 -1.409 7.881 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.637 -2.099 7.304 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.843 -1.125 9.169 1.00 0.00 C ATOM 126 CE2 TYR A 7 22.057 -1.823 8.593 1.00 0.00 C ATOM 127 CZ TYR A 7 21.159 -1.335 9.518 1.00 0.00 C ATOM 128 OH TYR A 7 21.587 -1.050 10.797 1.00 0.00 O ATOM 0 H TYR A 7 19.206 -1.116 2.600 1.00 0.00 H new ATOM 0 HA TYR A 7 18.716 -0.397 5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.984 -2.902 5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.621 -2.714 4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.389 -1.246 7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.349 -2.473 6.583 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.143 -0.741 9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.086 -1.990 8.874 1.00 0.00 H new ATOM 0 HH TYR A 7 22.542 -1.256 10.876 1.00 0.00 H new ATOM 138 N LYS A 8 20.585 1.170 4.835 1.00 0.00 N ATOM 139 CA LYS A 8 21.517 2.249 4.442 1.00 0.00 C ATOM 140 C LYS A 8 21.263 2.639 2.977 1.00 0.00 C ATOM 141 O LYS A 8 21.478 1.840 2.062 1.00 0.00 O ATOM 142 CB LYS A 8 23.022 1.910 4.717 1.00 0.00 C ATOM 143 CG LYS A 8 23.509 2.229 6.152 1.00 0.00 C ATOM 144 CD LYS A 8 22.638 1.591 7.258 1.00 0.00 C ATOM 145 CE LYS A 8 23.124 1.937 8.672 1.00 0.00 C ATOM 146 NZ LYS A 8 24.520 1.474 8.907 1.00 0.00 N ATOM 0 H LYS A 8 19.907 1.469 5.536 1.00 0.00 H new ATOM 0 HA LYS A 8 21.312 3.110 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.182 0.850 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.639 2.462 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.536 1.881 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 8 23.522 3.310 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.607 1.926 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.637 0.508 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.069 3.015 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.461 1.479 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.759 1.587 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.602 0.472 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.175 2.039 8.330 1.00 0.00 H new ATOM 160 N ASN A 9 20.766 3.868 2.786 1.00 0.00 N ATOM 161 CA ASN A 9 20.391 4.401 1.472 1.00 0.00 C ATOM 162 C ASN A 9 21.658 4.734 0.664 1.00 0.00 C ATOM 163 O ASN A 9 22.064 5.896 0.549 1.00 0.00 O ATOM 164 CB ASN A 9 19.453 5.626 1.677 1.00 0.00 C ATOM 165 CG ASN A 9 18.165 5.272 2.443 1.00 0.00 C ATOM 166 OD1 ASN A 9 17.642 4.165 2.329 1.00 0.00 O ATOM 167 ND2 ASN A 9 17.661 6.197 3.251 1.00 0.00 N ATOM 0 H ASN A 9 20.612 4.527 3.549 1.00 0.00 H new ATOM 0 HA ASN A 9 19.841 3.661 0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.991 6.403 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 9 19.189 6.042 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.821 5.997 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.113 7.108 3.328 1.00 0.00 H new ATOM 174 N CYS A 10 22.297 3.663 0.146 1.00 0.00 N ATOM 175 CA CYS A 10 23.612 3.716 -0.501 1.00 0.00 C ATOM 176 C CYS A 10 23.585 2.907 -1.809 1.00 0.00 C ATOM 177 O CYS A 10 23.249 1.715 -1.793 1.00 0.00 O ATOM 178 CB CYS A 10 24.692 3.152 0.457 1.00 0.00 C ATOM 179 SG CYS A 10 24.788 3.985 2.059 1.00 0.00 S ATOM 0 H CYS A 10 21.900 2.724 0.170 1.00 0.00 H new ATOM 0 HA CYS A 10 23.855 4.752 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.493 2.093 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 10 25.664 3.220 -0.032 1.00 0.00 H new ATOM 0 HG CYS A 10 25.719 3.434 2.780 1.00 0.00 H new ATOM 185 N THR A 11 23.898 3.599 -2.917 1.00 0.00 N ATOM 186 CA THR A 11 24.074 3.027 -4.267 1.00 0.00 C ATOM 187 C THR A 11 22.846 2.202 -4.739 1.00 0.00 C ATOM 188 O THR A 11 21.960 2.760 -5.363 1.00 0.00 O ATOM 189 CB THR A 11 25.404 2.198 -4.391 1.00 0.00 C ATOM 190 OG1 THR A 11 26.499 2.955 -3.834 1.00 0.00 O ATOM 191 CG2 THR A 11 25.728 1.846 -5.861 1.00 0.00 C ATOM 0 H THR A 11 24.041 4.609 -2.899 1.00 0.00 H new ATOM 0 HA THR A 11 24.155 3.879 -4.942 1.00 0.00 H new ATOM 0 HB THR A 11 25.266 1.267 -3.842 1.00 0.00 H new ATOM 0 HG1 THR A 11 27.327 2.437 -3.910 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.654 1.273 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.916 1.253 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 11 25.843 2.764 -6.438 1.00 0.00 H new ATOM 199 N THR A 12 22.782 0.898 -4.375 1.00 0.00 N ATOM 200 CA THR A 12 21.724 -0.036 -4.832 1.00 0.00 C ATOM 201 C THR A 12 20.333 0.438 -4.371 1.00 0.00 C ATOM 202 O THR A 12 19.374 0.449 -5.152 1.00 0.00 O ATOM 203 CB THR A 12 21.984 -1.483 -4.296 1.00 0.00 C ATOM 204 OG1 THR A 12 23.357 -1.844 -4.514 1.00 0.00 O ATOM 205 CG2 THR A 12 21.070 -2.530 -4.960 1.00 0.00 C ATOM 0 H THR A 12 23.465 0.463 -3.754 1.00 0.00 H new ATOM 0 HA THR A 12 21.751 -0.051 -5.922 1.00 0.00 H new ATOM 0 HB THR A 12 21.758 -1.476 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.515 -2.750 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.291 -3.517 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.028 -2.281 -4.762 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.244 -2.534 -6.036 1.00 0.00 H new ATOM 213 N CYS A 13 20.269 0.853 -3.092 1.00 0.00 N ATOM 214 CA CYS A 13 19.040 1.386 -2.471 1.00 0.00 C ATOM 215 C CYS A 13 18.598 2.687 -3.173 1.00 0.00 C ATOM 216 O CYS A 13 17.411 2.887 -3.424 1.00 0.00 O ATOM 217 CB CYS A 13 19.276 1.643 -0.967 1.00 0.00 C ATOM 218 SG CYS A 13 17.881 2.414 -0.113 1.00 0.00 S ATOM 0 H CYS A 13 21.068 0.829 -2.459 1.00 0.00 H new ATOM 0 HA CYS A 13 18.245 0.648 -2.583 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.505 0.695 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.153 2.280 -0.853 1.00 0.00 H new ATOM 0 HG CYS A 13 18.296 2.958 0.993 1.00 0.00 H new ATOM 224 N LYS A 14 19.582 3.541 -3.523 1.00 0.00 N ATOM 225 CA LYS A 14 19.332 4.832 -4.199 1.00 0.00 C ATOM 226 C LYS A 14 18.899 4.637 -5.664 1.00 0.00 C ATOM 227 O LYS A 14 18.085 5.403 -6.169 1.00 0.00 O ATOM 228 CB LYS A 14 20.591 5.750 -4.119 1.00 0.00 C ATOM 229 CG LYS A 14 20.796 6.435 -2.753 1.00 0.00 C ATOM 230 CD LYS A 14 19.598 7.340 -2.372 1.00 0.00 C ATOM 231 CE LYS A 14 19.798 8.110 -1.055 1.00 0.00 C ATOM 232 NZ LYS A 14 18.543 8.773 -0.615 1.00 0.00 N ATOM 0 H LYS A 14 20.569 3.356 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 14 18.510 5.319 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.475 5.155 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.515 6.518 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.935 5.675 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.707 7.032 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.423 8.054 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.701 6.725 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.139 7.424 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.580 8.858 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.713 9.283 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.231 9.445 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.805 8.056 -0.467 1.00 0.00 H new ATOM 246 N LYS A 15 19.451 3.611 -6.328 1.00 0.00 N ATOM 247 CA LYS A 15 19.170 3.305 -7.747 1.00 0.00 C ATOM 248 C LYS A 15 17.756 2.733 -7.905 1.00 0.00 C ATOM 249 O LYS A 15 17.013 3.105 -8.826 1.00 0.00 O ATOM 250 CB LYS A 15 20.224 2.299 -8.295 1.00 0.00 C ATOM 251 CG LYS A 15 21.646 2.880 -8.495 1.00 0.00 C ATOM 252 CD LYS A 15 21.703 3.955 -9.603 1.00 0.00 C ATOM 253 CE LYS A 15 21.335 3.396 -10.989 1.00 0.00 C ATOM 254 NZ LYS A 15 21.330 4.444 -12.033 1.00 0.00 N ATOM 0 H LYS A 15 20.110 2.963 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 15 19.233 4.229 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.287 1.454 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.870 1.910 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.992 3.313 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.332 2.071 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.022 4.768 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.706 4.379 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.045 2.616 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.351 2.929 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.077 4.021 -12.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.634 5.177 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.275 4.873 -12.099 1.00 0.00 H new ATOM 268 N ALA A 16 17.413 1.824 -6.990 1.00 0.00 N ATOM 269 CA ALA A 16 16.096 1.183 -6.939 1.00 0.00 C ATOM 270 C ALA A 16 15.011 2.220 -6.608 1.00 0.00 C ATOM 271 O ALA A 16 13.991 2.310 -7.302 1.00 0.00 O ATOM 272 CB ALA A 16 16.126 0.058 -5.902 1.00 0.00 C ATOM 0 H ALA A 16 18.047 1.509 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 16 15.855 0.755 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.149 -0.423 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.880 -0.677 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.370 0.472 -4.924 1.00 0.00 H new ATOM 278 N ALA A 17 15.291 3.039 -5.573 1.00 0.00 N ATOM 279 CA ALA A 17 14.393 4.129 -5.129 1.00 0.00 C ATOM 280 C ALA A 17 14.208 5.191 -6.232 1.00 0.00 C ATOM 281 O ALA A 17 13.125 5.741 -6.372 1.00 0.00 O ATOM 282 CB ALA A 17 14.929 4.787 -3.848 1.00 0.00 C ATOM 0 H ALA A 17 16.145 2.965 -5.021 1.00 0.00 H new ATOM 0 HA ALA A 17 13.420 3.686 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.254 5.585 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.995 4.041 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.919 5.202 -4.039 1.00 0.00 H new ATOM 288 N LYS A 18 15.286 5.448 -7.004 1.00 0.00 N ATOM 289 CA LYS A 18 15.271 6.383 -8.157 1.00 0.00 C ATOM 290 C LYS A 18 14.300 5.888 -9.240 1.00 0.00 C ATOM 291 O LYS A 18 13.412 6.618 -9.641 1.00 0.00 O ATOM 292 CB LYS A 18 16.708 6.543 -8.753 1.00 0.00 C ATOM 293 CG LYS A 18 16.852 7.241 -10.151 1.00 0.00 C ATOM 294 CD LYS A 18 16.628 8.787 -10.167 1.00 0.00 C ATOM 295 CE LYS A 18 15.157 9.216 -10.375 1.00 0.00 C ATOM 296 NZ LYS A 18 15.016 10.687 -10.451 1.00 0.00 N ATOM 0 H LYS A 18 16.195 5.013 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 18 14.931 7.356 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.306 7.105 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 18 17.151 5.550 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.850 7.034 -10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.142 6.783 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.986 9.204 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.236 9.222 -10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.774 8.767 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.548 8.835 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.015 10.933 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.357 11.115 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.576 11.049 -11.249 1.00 0.00 H new ATOM 310 N PHE A 19 14.477 4.632 -9.673 1.00 0.00 N ATOM 311 CA PHE A 19 13.721 4.036 -10.795 1.00 0.00 C ATOM 312 C PHE A 19 12.206 3.992 -10.476 1.00 0.00 C ATOM 313 O PHE A 19 11.357 4.403 -11.299 1.00 0.00 O ATOM 314 CB PHE A 19 14.277 2.618 -11.091 1.00 0.00 C ATOM 315 CG PHE A 19 13.760 1.998 -12.388 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.241 2.437 -13.620 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.797 0.990 -12.384 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.778 1.887 -14.801 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.339 0.441 -13.569 1.00 0.00 C ATOM 320 CZ PHE A 19 12.828 0.889 -14.775 1.00 0.00 C ATOM 0 H PHE A 19 15.153 3.992 -9.255 1.00 0.00 H new ATOM 0 HA PHE A 19 13.845 4.655 -11.684 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.365 2.669 -11.135 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.022 1.960 -10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.986 3.218 -13.653 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.403 0.633 -11.444 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.162 2.240 -15.747 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.595 -0.342 -13.547 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.468 0.460 -15.698 1.00 0.00 H new ATOM 330 N LEU A 20 11.899 3.530 -9.250 1.00 0.00 N ATOM 331 CA LEU A 20 10.526 3.473 -8.726 1.00 0.00 C ATOM 332 C LEU A 20 9.919 4.897 -8.642 1.00 0.00 C ATOM 333 O LEU A 20 8.823 5.134 -9.131 1.00 0.00 O ATOM 334 CB LEU A 20 10.508 2.757 -7.342 1.00 0.00 C ATOM 335 CG LEU A 20 10.948 1.251 -7.353 1.00 0.00 C ATOM 336 CD1 LEU A 20 11.074 0.685 -5.919 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.988 0.386 -8.207 1.00 0.00 C ATOM 0 H LEU A 20 12.600 3.185 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 20 9.907 2.892 -9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.162 3.303 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.499 2.819 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 20 11.935 1.208 -7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.380 -0.360 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.819 1.257 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.111 0.758 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.323 -0.651 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.980 0.448 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.985 0.752 -9.234 1.00 0.00 H new ATOM 349 N ASP A 21 10.686 5.854 -8.090 1.00 0.00 N ATOM 350 CA ASP A 21 10.242 7.271 -7.937 1.00 0.00 C ATOM 351 C ASP A 21 10.050 7.960 -9.307 1.00 0.00 C ATOM 352 O ASP A 21 9.164 8.806 -9.468 1.00 0.00 O ATOM 353 CB ASP A 21 11.272 8.053 -7.080 1.00 0.00 C ATOM 354 CG ASP A 21 10.921 9.537 -6.872 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.967 9.828 -6.119 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.606 10.421 -7.439 1.00 0.00 O ATOM 0 H ASP A 21 11.627 5.679 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 21 9.276 7.270 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.358 7.571 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.250 7.986 -7.556 1.00 0.00 H new ATOM 361 N GLU A 22 10.869 7.547 -10.288 1.00 0.00 N ATOM 362 CA GLU A 22 10.876 8.105 -11.653 1.00 0.00 C ATOM 363 C GLU A 22 9.546 7.798 -12.360 1.00 0.00 C ATOM 364 O GLU A 22 8.919 8.683 -12.954 1.00 0.00 O ATOM 365 CB GLU A 22 12.071 7.514 -12.451 1.00 0.00 C ATOM 366 CG GLU A 22 12.213 8.018 -13.901 1.00 0.00 C ATOM 367 CD GLU A 22 12.532 9.528 -14.007 1.00 0.00 C ATOM 368 OE1 GLU A 22 13.623 9.949 -13.540 1.00 0.00 O ATOM 369 OE2 GLU A 22 11.716 10.294 -14.567 1.00 0.00 O ATOM 0 H GLU A 22 11.556 6.805 -10.154 1.00 0.00 H new ATOM 0 HA GLU A 22 10.990 9.188 -11.599 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.992 7.741 -11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.972 6.429 -12.470 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.003 7.453 -14.397 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.288 7.813 -14.440 1.00 0.00 H new ATOM 376 N TYR A 23 9.120 6.531 -12.260 1.00 0.00 N ATOM 377 CA TYR A 23 7.831 6.067 -12.815 1.00 0.00 C ATOM 378 C TYR A 23 6.642 6.373 -11.869 1.00 0.00 C ATOM 379 O TYR A 23 5.485 6.115 -12.226 1.00 0.00 O ATOM 380 CB TYR A 23 7.923 4.556 -13.127 1.00 0.00 C ATOM 381 CG TYR A 23 8.741 4.221 -14.390 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.135 4.317 -14.401 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.109 3.795 -15.565 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.866 4.001 -15.534 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.834 3.477 -16.695 1.00 0.00 C ATOM 386 CZ TYR A 23 10.215 3.579 -16.674 1.00 0.00 C ATOM 387 OH TYR A 23 10.943 3.259 -17.802 1.00 0.00 O ATOM 0 H TYR A 23 9.654 5.797 -11.794 1.00 0.00 H new ATOM 0 HA TYR A 23 7.638 6.615 -13.737 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.369 4.046 -12.273 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.915 4.158 -13.244 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.651 4.643 -13.510 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.032 3.714 -15.587 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.943 4.085 -15.525 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.327 3.150 -17.591 1.00 0.00 H new ATOM 0 HH TYR A 23 10.333 2.979 -18.516 1.00 0.00 H new ATOM 397 N GLY A 24 6.931 6.921 -10.675 1.00 0.00 N ATOM 398 CA GLY A 24 5.887 7.302 -9.711 1.00 0.00 C ATOM 399 C GLY A 24 5.256 6.103 -8.994 1.00 0.00 C ATOM 400 O GLY A 24 4.107 6.164 -8.543 1.00 0.00 O ATOM 0 H GLY A 24 7.881 7.110 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.316 7.975 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.107 7.857 -10.232 1.00 0.00 H new ATOM 404 N VAL A 25 6.024 5.011 -8.907 1.00 0.00 N ATOM 405 CA VAL A 25 5.636 3.765 -8.229 1.00 0.00 C ATOM 406 C VAL A 25 5.585 3.981 -6.702 1.00 0.00 C ATOM 407 O VAL A 25 6.559 4.471 -6.112 1.00 0.00 O ATOM 408 CB VAL A 25 6.655 2.609 -8.556 1.00 0.00 C ATOM 409 CG1 VAL A 25 6.201 1.260 -7.963 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.905 2.489 -10.074 1.00 0.00 C ATOM 0 H VAL A 25 6.957 4.966 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 25 4.648 3.480 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 25 7.600 2.874 -8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.931 0.489 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.120 1.348 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.231 0.988 -8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.613 1.682 -10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.965 2.274 -10.582 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.314 3.426 -10.451 1.00 0.00 H new ATOM 420 N SER A 26 4.449 3.627 -6.082 1.00 0.00 N ATOM 421 CA SER A 26 4.272 3.706 -4.628 1.00 0.00 C ATOM 422 C SER A 26 5.080 2.585 -3.944 1.00 0.00 C ATOM 423 O SER A 26 4.668 1.418 -3.947 1.00 0.00 O ATOM 424 CB SER A 26 2.776 3.585 -4.277 1.00 0.00 C ATOM 425 OG SER A 26 1.984 4.492 -5.030 1.00 0.00 O ATOM 0 H SER A 26 3.628 3.278 -6.577 1.00 0.00 H new ATOM 0 HA SER A 26 4.637 4.669 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.440 2.565 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.635 3.776 -3.213 1.00 0.00 H new ATOM 0 HG SER A 26 1.042 4.386 -4.783 1.00 0.00 H new ATOM 431 N TYR A 27 6.249 2.949 -3.409 1.00 0.00 N ATOM 432 CA TYR A 27 7.162 2.009 -2.738 1.00 0.00 C ATOM 433 C TYR A 27 7.236 2.348 -1.235 1.00 0.00 C ATOM 434 O TYR A 27 7.008 3.498 -0.833 1.00 0.00 O ATOM 435 CB TYR A 27 8.567 2.034 -3.405 1.00 0.00 C ATOM 436 CG TYR A 27 9.408 3.297 -3.134 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.104 4.524 -3.731 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.505 3.253 -2.269 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.857 5.655 -3.461 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.259 4.374 -2.005 1.00 0.00 C ATOM 441 CZ TYR A 27 10.933 5.573 -2.599 1.00 0.00 C ATOM 442 OH TYR A 27 11.674 6.698 -2.310 1.00 0.00 O ATOM 0 H TYR A 27 6.594 3.909 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 27 6.778 0.994 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.128 1.165 -3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.440 1.927 -4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.269 4.591 -4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.767 2.318 -1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.604 6.598 -3.923 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.103 4.313 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 27 12.393 6.465 -1.686 1.00 0.00 H new ATOM 452 N GLU A 28 7.595 1.349 -0.428 1.00 0.00 N ATOM 453 CA GLU A 28 7.559 1.414 1.044 1.00 0.00 C ATOM 454 C GLU A 28 9.002 1.254 1.570 1.00 0.00 C ATOM 455 O GLU A 28 9.433 0.123 1.796 1.00 0.00 O ATOM 456 CB GLU A 28 6.656 0.254 1.565 1.00 0.00 C ATOM 457 CG GLU A 28 6.299 0.258 3.072 1.00 0.00 C ATOM 458 CD GLU A 28 4.964 0.951 3.387 1.00 0.00 C ATOM 459 OE1 GLU A 28 3.900 0.428 2.962 1.00 0.00 O ATOM 460 OE2 GLU A 28 4.959 1.995 4.071 1.00 0.00 O ATOM 0 H GLU A 28 7.927 0.451 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 28 7.154 2.365 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.726 0.269 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.153 -0.689 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.258 -0.771 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.096 0.756 3.624 1.00 0.00 H new ATOM 467 N PRO A 29 9.803 2.363 1.695 1.00 0.00 N ATOM 468 CA PRO A 29 11.221 2.282 2.119 1.00 0.00 C ATOM 469 C PRO A 29 11.376 1.920 3.616 1.00 0.00 C ATOM 470 O PRO A 29 11.439 2.791 4.494 1.00 0.00 O ATOM 471 CB PRO A 29 11.776 3.693 1.779 1.00 0.00 C ATOM 472 CG PRO A 29 10.582 4.595 1.883 1.00 0.00 C ATOM 473 CD PRO A 29 9.397 3.768 1.424 1.00 0.00 C ATOM 0 HA PRO A 29 11.767 1.485 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.561 3.990 2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.209 3.720 0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.443 4.943 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.706 5.481 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.492 4.033 1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.188 3.925 0.366 1.00 0.00 H new ATOM 481 N ILE A 30 11.384 0.609 3.893 1.00 0.00 N ATOM 482 CA ILE A 30 11.540 0.055 5.248 1.00 0.00 C ATOM 483 C ILE A 30 12.849 -0.750 5.317 1.00 0.00 C ATOM 484 O ILE A 30 13.227 -1.423 4.356 1.00 0.00 O ATOM 485 CB ILE A 30 10.291 -0.829 5.657 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.923 -1.852 4.523 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.080 0.073 6.025 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.658 -2.668 4.758 1.00 0.00 C ATOM 0 H ILE A 30 11.281 -0.107 3.174 1.00 0.00 H new ATOM 0 HA ILE A 30 11.591 0.874 5.965 1.00 0.00 H new ATOM 0 HB ILE A 30 10.558 -1.408 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.812 -1.305 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.759 -2.540 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.232 -0.552 6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.347 0.716 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.811 0.689 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.498 -3.341 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.766 -3.251 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.805 -1.997 4.854 1.00 0.00 H new ATOM 500 N ASP A 31 13.570 -0.621 6.436 1.00 0.00 N ATOM 501 CA ASP A 31 14.866 -1.289 6.633 1.00 0.00 C ATOM 502 C ASP A 31 14.677 -2.777 6.948 1.00 0.00 C ATOM 503 O ASP A 31 13.768 -3.143 7.678 1.00 0.00 O ATOM 504 CB ASP A 31 15.673 -0.585 7.737 1.00 0.00 C ATOM 505 CG ASP A 31 16.151 0.817 7.312 1.00 0.00 C ATOM 506 OD1 ASP A 31 15.341 1.772 7.363 1.00 0.00 O ATOM 507 OD2 ASP A 31 17.330 0.975 6.908 1.00 0.00 O ATOM 0 H ASP A 31 13.275 -0.053 7.230 1.00 0.00 H new ATOM 0 HA ASP A 31 15.431 -1.219 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.059 -0.500 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.537 -1.197 7.998 1.00 0.00 H new ATOM 512 N ILE A 32 15.582 -3.611 6.422 1.00 0.00 N ATOM 513 CA ILE A 32 15.421 -5.076 6.380 1.00 0.00 C ATOM 514 C ILE A 32 15.618 -5.720 7.768 1.00 0.00 C ATOM 515 O ILE A 32 14.919 -6.671 8.110 1.00 0.00 O ATOM 516 CB ILE A 32 16.410 -5.717 5.330 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.119 -7.241 5.095 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.884 -5.483 5.723 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.839 -7.529 4.335 1.00 0.00 C ATOM 0 H ILE A 32 16.457 -3.288 6.008 1.00 0.00 H new ATOM 0 HA ILE A 32 14.396 -5.278 6.068 1.00 0.00 H new ATOM 0 HB ILE A 32 16.234 -5.208 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.956 -7.677 4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.073 -7.742 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.536 -5.938 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.082 -4.412 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.077 -5.933 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.719 -8.606 4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.990 -7.127 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.887 -7.061 3.352 1.00 0.00 H new ATOM 531 N VAL A 33 16.574 -5.193 8.563 1.00 0.00 N ATOM 532 CA VAL A 33 16.891 -5.741 9.906 1.00 0.00 C ATOM 533 C VAL A 33 16.139 -4.968 11.006 1.00 0.00 C ATOM 534 O VAL A 33 15.795 -5.531 12.054 1.00 0.00 O ATOM 535 CB VAL A 33 18.443 -5.749 10.176 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.021 -4.325 10.267 1.00 0.00 C ATOM 537 CG2 VAL A 33 18.819 -6.600 11.425 1.00 0.00 C ATOM 0 H VAL A 33 17.142 -4.388 8.300 1.00 0.00 H new ATOM 0 HA VAL A 33 16.552 -6.777 9.929 1.00 0.00 H new ATOM 0 HB VAL A 33 18.904 -6.229 9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.093 -4.379 10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.842 -3.799 9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.537 -3.787 11.082 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.899 -6.575 11.570 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.325 -6.191 12.306 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.497 -7.630 11.274 1.00 0.00 H new ATOM 547 N GLN A 34 15.876 -3.678 10.741 1.00 0.00 N ATOM 548 CA GLN A 34 15.098 -2.806 11.642 1.00 0.00 C ATOM 549 C GLN A 34 13.606 -3.211 11.606 1.00 0.00 C ATOM 550 O GLN A 34 12.876 -3.063 12.594 1.00 0.00 O ATOM 551 CB GLN A 34 15.282 -1.328 11.205 1.00 0.00 C ATOM 552 CG GLN A 34 14.659 -0.275 12.141 1.00 0.00 C ATOM 553 CD GLN A 34 14.694 1.143 11.558 1.00 0.00 C ATOM 554 OE1 GLN A 34 13.765 1.568 10.871 1.00 0.00 O ATOM 555 NE2 GLN A 34 15.768 1.878 11.823 1.00 0.00 N ATOM 0 H GLN A 34 16.197 -3.208 9.895 1.00 0.00 H new ATOM 0 HA GLN A 34 15.455 -2.917 12.666 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.349 -1.124 11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.851 -1.205 10.211 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.625 -0.550 12.351 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.190 -0.284 13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.520 1.495 12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.841 2.826 11.454 1.00 0.00 H new ATOM 564 N HIS A 35 13.180 -3.739 10.446 1.00 0.00 N ATOM 565 CA HIS A 35 11.795 -4.172 10.185 1.00 0.00 C ATOM 566 C HIS A 35 11.811 -5.598 9.593 1.00 0.00 C ATOM 567 O HIS A 35 11.262 -5.834 8.512 1.00 0.00 O ATOM 568 CB HIS A 35 11.092 -3.176 9.202 1.00 0.00 C ATOM 569 CG HIS A 35 10.907 -1.774 9.719 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.759 -1.345 10.352 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.735 -0.700 9.688 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.891 -0.074 10.684 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.079 0.341 10.291 1.00 0.00 N ATOM 0 H HIS A 35 13.800 -3.880 9.648 1.00 0.00 H new ATOM 0 HA HIS A 35 11.234 -4.179 11.119 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.674 -3.131 8.281 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.114 -3.580 8.942 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.729 -0.671 9.266 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.150 0.525 11.192 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.449 1.283 10.415 1.00 0.00 H new ATOM 582 N THR A 36 12.454 -6.553 10.299 1.00 0.00 N ATOM 583 CA THR A 36 12.490 -7.962 9.859 1.00 0.00 C ATOM 584 C THR A 36 11.128 -8.642 10.137 1.00 0.00 C ATOM 585 O THR A 36 10.690 -8.664 11.295 1.00 0.00 O ATOM 586 CB THR A 36 13.625 -8.786 10.560 1.00 0.00 C ATOM 587 OG1 THR A 36 14.810 -7.995 10.647 1.00 0.00 O ATOM 588 CG2 THR A 36 13.948 -10.074 9.775 1.00 0.00 C ATOM 0 H THR A 36 12.952 -6.374 11.171 1.00 0.00 H new ATOM 0 HA THR A 36 12.699 -7.950 8.789 1.00 0.00 H new ATOM 0 HB THR A 36 13.274 -9.058 11.555 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.875 -7.416 9.859 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.739 -10.623 10.286 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.055 -10.696 9.714 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.279 -9.814 8.770 1.00 0.00 H new ATOM 596 N PRO A 37 10.422 -9.167 9.084 1.00 0.00 N ATOM 597 CA PRO A 37 9.143 -9.914 9.252 1.00 0.00 C ATOM 598 C PRO A 37 9.313 -11.216 10.072 1.00 0.00 C ATOM 599 O PRO A 37 10.433 -11.730 10.204 1.00 0.00 O ATOM 600 CB PRO A 37 8.716 -10.233 7.786 1.00 0.00 C ATOM 601 CG PRO A 37 9.495 -9.283 6.930 1.00 0.00 C ATOM 602 CD PRO A 37 10.804 -9.076 7.647 1.00 0.00 C ATOM 0 HA PRO A 37 8.405 -9.335 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.940 -11.268 7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.643 -10.095 7.650 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.654 -9.694 5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.962 -8.340 6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.536 -9.836 7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.246 -8.109 7.408 1.00 0.00 H new ATOM 610 N THR A 38 8.197 -11.733 10.626 1.00 0.00 N ATOM 611 CA THR A 38 8.170 -13.044 11.316 1.00 0.00 C ATOM 612 C THR A 38 8.305 -14.192 10.294 1.00 0.00 C ATOM 613 O THR A 38 8.193 -13.973 9.080 1.00 0.00 O ATOM 614 CB THR A 38 6.847 -13.244 12.148 1.00 0.00 C ATOM 615 OG1 THR A 38 5.698 -13.166 11.286 1.00 0.00 O ATOM 616 CG2 THR A 38 6.702 -12.203 13.273 1.00 0.00 C ATOM 0 H THR A 38 7.294 -11.259 10.609 1.00 0.00 H new ATOM 0 HA THR A 38 9.014 -13.060 12.006 1.00 0.00 H new ATOM 0 HB THR A 38 6.908 -14.232 12.605 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.883 -13.293 11.815 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.775 -12.383 13.818 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.547 -12.286 13.957 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.682 -11.202 12.842 1.00 0.00 H new ATOM 624 N ILE A 39 8.527 -15.417 10.805 1.00 0.00 N ATOM 625 CA ILE A 39 8.611 -16.649 9.981 1.00 0.00 C ATOM 626 C ILE A 39 7.301 -16.841 9.183 1.00 0.00 C ATOM 627 O ILE A 39 7.325 -17.270 8.026 1.00 0.00 O ATOM 628 CB ILE A 39 8.877 -17.909 10.892 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.111 -17.667 11.828 1.00 0.00 C ATOM 630 CG2 ILE A 39 9.064 -19.204 10.056 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.262 -18.664 12.965 1.00 0.00 C ATOM 0 H ILE A 39 8.654 -15.587 11.803 1.00 0.00 H new ATOM 0 HA ILE A 39 9.442 -16.544 9.284 1.00 0.00 H new ATOM 0 HB ILE A 39 7.993 -18.052 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.017 -17.690 11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.036 -16.665 12.251 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.245 -20.046 10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.164 -19.392 9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.915 -19.084 9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.143 -18.412 13.555 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.377 -18.628 13.601 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.374 -19.668 12.556 1.00 0.00 H new ATOM 643 N ASN A 40 6.169 -16.483 9.835 1.00 0.00 N ATOM 644 CA ASN A 40 4.824 -16.489 9.223 1.00 0.00 C ATOM 645 C ASN A 40 4.751 -15.510 8.037 1.00 0.00 C ATOM 646 O ASN A 40 4.329 -15.893 6.947 1.00 0.00 O ATOM 647 CB ASN A 40 3.736 -16.117 10.266 1.00 0.00 C ATOM 648 CG ASN A 40 3.518 -17.180 11.347 1.00 0.00 C ATOM 649 OD1 ASN A 40 3.694 -18.372 11.107 1.00 0.00 O ATOM 650 ND2 ASN A 40 3.138 -16.758 12.548 1.00 0.00 N ATOM 0 H ASN A 40 6.167 -16.180 10.809 1.00 0.00 H new ATOM 0 HA ASN A 40 4.638 -17.500 8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.013 -15.178 10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.794 -15.944 9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.985 -17.430 13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.000 -15.762 12.718 1.00 0.00 H new ATOM 657 N GLU A 41 5.177 -14.254 8.263 1.00 0.00 N ATOM 658 CA GLU A 41 5.142 -13.193 7.232 1.00 0.00 C ATOM 659 C GLU A 41 6.041 -13.537 6.027 1.00 0.00 C ATOM 660 O GLU A 41 5.690 -13.227 4.884 1.00 0.00 O ATOM 661 CB GLU A 41 5.573 -11.840 7.828 1.00 0.00 C ATOM 662 CG GLU A 41 4.616 -11.242 8.871 1.00 0.00 C ATOM 663 CD GLU A 41 5.156 -9.941 9.494 1.00 0.00 C ATOM 664 OE1 GLU A 41 5.103 -8.888 8.823 1.00 0.00 O ATOM 665 OE2 GLU A 41 5.639 -9.972 10.651 1.00 0.00 O ATOM 0 H GLU A 41 5.554 -13.944 9.159 1.00 0.00 H new ATOM 0 HA GLU A 41 4.113 -13.122 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.554 -11.961 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.689 -11.124 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.652 -11.043 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.442 -11.973 9.660 1.00 0.00 H new ATOM 672 N PHE A 42 7.194 -14.177 6.300 1.00 0.00 N ATOM 673 CA PHE A 42 8.110 -14.645 5.251 1.00 0.00 C ATOM 674 C PHE A 42 7.424 -15.715 4.382 1.00 0.00 C ATOM 675 O PHE A 42 7.270 -15.516 3.180 1.00 0.00 O ATOM 676 CB PHE A 42 9.447 -15.176 5.851 1.00 0.00 C ATOM 677 CG PHE A 42 10.527 -14.107 6.056 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.150 -13.511 4.956 1.00 0.00 C ATOM 679 CD2 PHE A 42 10.925 -13.707 7.330 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.132 -12.553 5.126 1.00 0.00 C ATOM 681 CE2 PHE A 42 11.910 -12.751 7.497 1.00 0.00 C ATOM 682 CZ PHE A 42 12.512 -12.175 6.397 1.00 0.00 C ATOM 0 H PHE A 42 7.512 -14.381 7.247 1.00 0.00 H new ATOM 0 HA PHE A 42 8.361 -13.795 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.236 -15.649 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.842 -15.951 5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.860 -13.803 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.458 -14.149 8.198 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.601 -12.101 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.209 -12.454 8.491 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.281 -11.428 6.531 1.00 0.00 H new ATOM 692 N LYS A 43 6.955 -16.820 4.998 1.00 0.00 N ATOM 693 CA LYS A 43 6.325 -17.930 4.237 1.00 0.00 C ATOM 694 C LYS A 43 5.041 -17.467 3.510 1.00 0.00 C ATOM 695 O LYS A 43 4.672 -18.038 2.480 1.00 0.00 O ATOM 696 CB LYS A 43 6.064 -19.169 5.138 1.00 0.00 C ATOM 697 CG LYS A 43 5.122 -18.954 6.339 1.00 0.00 C ATOM 698 CD LYS A 43 4.962 -20.220 7.222 1.00 0.00 C ATOM 699 CE LYS A 43 6.280 -20.691 7.871 1.00 0.00 C ATOM 700 NZ LYS A 43 6.096 -21.910 8.701 1.00 0.00 N ATOM 0 H LYS A 43 6.997 -16.971 6.006 1.00 0.00 H new ATOM 0 HA LYS A 43 7.034 -18.238 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.650 -19.963 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.022 -19.526 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.504 -18.137 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.142 -18.647 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.233 -20.016 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.557 -21.029 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.015 -20.893 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.684 -19.890 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.018 -22.362 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.673 -21.648 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.467 -22.575 8.207 1.00 0.00 H new ATOM 714 N THR A 44 4.409 -16.397 4.038 1.00 0.00 N ATOM 715 CA THR A 44 3.271 -15.726 3.386 1.00 0.00 C ATOM 716 C THR A 44 3.712 -15.094 2.050 1.00 0.00 C ATOM 717 O THR A 44 3.246 -15.515 0.988 1.00 0.00 O ATOM 718 CB THR A 44 2.633 -14.638 4.315 1.00 0.00 C ATOM 719 OG1 THR A 44 2.113 -15.263 5.493 1.00 0.00 O ATOM 720 CG2 THR A 44 1.507 -13.843 3.627 1.00 0.00 C ATOM 0 H THR A 44 4.676 -15.976 4.928 1.00 0.00 H new ATOM 0 HA THR A 44 2.512 -16.483 3.188 1.00 0.00 H new ATOM 0 HB THR A 44 3.423 -13.930 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.852 -15.497 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.106 -13.105 4.322 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.905 -13.335 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.713 -14.525 3.324 1.00 0.00 H new ATOM 728 N ILE A 45 4.664 -14.126 2.104 1.00 0.00 N ATOM 729 CA ILE A 45 5.088 -13.357 0.909 1.00 0.00 C ATOM 730 C ILE A 45 5.668 -14.292 -0.176 1.00 0.00 C ATOM 731 O ILE A 45 5.471 -14.060 -1.351 1.00 0.00 O ATOM 732 CB ILE A 45 6.115 -12.196 1.246 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.502 -12.747 1.737 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.511 -11.209 2.278 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.546 -11.686 2.078 1.00 0.00 C ATOM 0 H ILE A 45 5.150 -13.862 2.961 1.00 0.00 H new ATOM 0 HA ILE A 45 4.188 -12.879 0.523 1.00 0.00 H new ATOM 0 HB ILE A 45 6.302 -11.655 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.336 -13.366 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.910 -13.398 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.233 -10.421 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.602 -10.766 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.272 -11.744 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.465 -12.172 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.751 -11.080 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.168 -11.048 2.877 1.00 0.00 H new ATOM 747 N ILE A 46 6.318 -15.379 0.263 1.00 0.00 N ATOM 748 CA ILE A 46 6.958 -16.373 -0.625 1.00 0.00 C ATOM 749 C ILE A 46 5.913 -17.296 -1.284 1.00 0.00 C ATOM 750 O ILE A 46 6.073 -17.687 -2.444 1.00 0.00 O ATOM 751 CB ILE A 46 8.038 -17.182 0.193 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.160 -16.203 0.669 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.644 -18.365 -0.606 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.936 -16.671 1.867 1.00 0.00 C ATOM 0 H ILE A 46 6.418 -15.600 1.254 1.00 0.00 H new ATOM 0 HA ILE A 46 7.461 -15.855 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 46 7.538 -17.626 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.854 -16.040 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.708 -15.239 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.380 -18.882 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.852 -19.060 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.127 -17.986 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.691 -15.928 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.258 -16.806 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.423 -17.619 1.638 1.00 0.00 H new ATOM 766 N ALA A 47 4.833 -17.619 -0.547 1.00 0.00 N ATOM 767 CA ALA A 47 3.708 -18.416 -1.093 1.00 0.00 C ATOM 768 C ALA A 47 2.919 -17.611 -2.146 1.00 0.00 C ATOM 769 O ALA A 47 2.548 -18.137 -3.202 1.00 0.00 O ATOM 770 CB ALA A 47 2.772 -18.878 0.037 1.00 0.00 C ATOM 0 H ALA A 47 4.712 -17.343 0.427 1.00 0.00 H new ATOM 0 HA ALA A 47 4.127 -19.296 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.953 -19.461 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.330 -19.493 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.369 -18.007 0.554 1.00 0.00 H new ATOM 776 N ASN A 48 2.687 -16.323 -1.844 1.00 0.00 N ATOM 777 CA ASN A 48 1.860 -15.430 -2.673 1.00 0.00 C ATOM 778 C ASN A 48 2.606 -14.959 -3.948 1.00 0.00 C ATOM 779 O ASN A 48 2.012 -14.927 -5.038 1.00 0.00 O ATOM 780 CB ASN A 48 1.357 -14.217 -1.830 1.00 0.00 C ATOM 781 CG ASN A 48 0.201 -14.569 -0.881 1.00 0.00 C ATOM 782 OD1 ASN A 48 -0.970 -14.530 -1.264 1.00 0.00 O ATOM 783 ND2 ASN A 48 0.508 -14.894 0.367 1.00 0.00 N ATOM 0 H ASN A 48 3.069 -15.870 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 48 0.995 -16.000 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.188 -13.820 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.034 -13.424 -2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.232 -15.118 1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.484 -14.920 0.662 1.00 0.00 H new ATOM 790 N THR A 49 3.903 -14.607 -3.819 1.00 0.00 N ATOM 791 CA THR A 49 4.714 -14.122 -4.966 1.00 0.00 C ATOM 792 C THR A 49 5.305 -15.289 -5.769 1.00 0.00 C ATOM 793 O THR A 49 5.438 -15.211 -7.002 1.00 0.00 O ATOM 794 CB THR A 49 5.882 -13.187 -4.515 1.00 0.00 C ATOM 795 OG1 THR A 49 6.816 -13.910 -3.687 1.00 0.00 O ATOM 796 CG2 THR A 49 5.377 -11.947 -3.761 1.00 0.00 C ATOM 0 H THR A 49 4.413 -14.648 -2.937 1.00 0.00 H new ATOM 0 HA THR A 49 4.029 -13.552 -5.593 1.00 0.00 H new ATOM 0 HB THR A 49 6.382 -12.845 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.429 -14.044 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.225 -11.328 -3.468 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.715 -11.372 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.832 -12.260 -2.870 1.00 0.00 H new ATOM 804 N GLY A 50 5.661 -16.364 -5.053 1.00 0.00 N ATOM 805 CA GLY A 50 6.329 -17.515 -5.653 1.00 0.00 C ATOM 806 C GLY A 50 7.827 -17.298 -5.836 1.00 0.00 C ATOM 807 O GLY A 50 8.404 -17.733 -6.845 1.00 0.00 O ATOM 0 H GLY A 50 5.494 -16.455 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.167 -18.391 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.876 -17.728 -6.621 1.00 0.00 H new ATOM 811 N VAL A 51 8.471 -16.609 -4.870 1.00 0.00 N ATOM 812 CA VAL A 51 9.922 -16.327 -4.931 1.00 0.00 C ATOM 813 C VAL A 51 10.722 -17.496 -4.330 1.00 0.00 C ATOM 814 O VAL A 51 10.224 -18.223 -3.466 1.00 0.00 O ATOM 815 CB VAL A 51 10.284 -14.977 -4.194 1.00 0.00 C ATOM 816 CG1 VAL A 51 10.004 -15.049 -2.676 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.747 -14.528 -4.474 1.00 0.00 C ATOM 0 H VAL A 51 8.010 -16.238 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 51 10.193 -16.215 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 51 9.625 -14.216 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.268 -14.099 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.946 -15.252 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.600 -15.847 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.949 -13.596 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.436 -15.298 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.882 -14.375 -5.545 1.00 0.00 H new ATOM 827 N GLU A 52 11.948 -17.681 -4.826 1.00 0.00 N ATOM 828 CA GLU A 52 12.907 -18.634 -4.269 1.00 0.00 C ATOM 829 C GLU A 52 13.390 -18.113 -2.896 1.00 0.00 C ATOM 830 O GLU A 52 13.917 -17.000 -2.801 1.00 0.00 O ATOM 831 CB GLU A 52 14.095 -18.798 -5.253 1.00 0.00 C ATOM 832 CG GLU A 52 15.205 -19.761 -4.797 1.00 0.00 C ATOM 833 CD GLU A 52 16.443 -19.700 -5.713 1.00 0.00 C ATOM 834 OE1 GLU A 52 16.436 -20.339 -6.784 1.00 0.00 O ATOM 835 OE2 GLU A 52 17.405 -18.969 -5.386 1.00 0.00 O ATOM 0 H GLU A 52 12.304 -17.168 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 52 12.441 -19.609 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.706 -19.147 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.538 -17.817 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.498 -19.517 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.816 -20.779 -4.782 1.00 0.00 H new ATOM 842 N ILE A 53 13.181 -18.917 -1.848 1.00 0.00 N ATOM 843 CA ILE A 53 13.571 -18.581 -0.462 1.00 0.00 C ATOM 844 C ILE A 53 15.127 -18.514 -0.338 1.00 0.00 C ATOM 845 O ILE A 53 15.666 -17.774 0.490 1.00 0.00 O ATOM 846 CB ILE A 53 12.913 -19.631 0.540 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.655 -19.044 1.971 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.719 -20.946 0.617 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.863 -18.854 2.862 1.00 0.00 C ATOM 0 H ILE A 53 12.733 -19.829 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 53 13.197 -17.593 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 53 11.935 -19.862 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.162 -18.078 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.954 -19.701 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.233 -21.631 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.764 -21.403 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.730 -20.733 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.547 -18.442 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.351 -19.815 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.562 -18.167 2.385 1.00 0.00 H new ATOM 861 N ASN A 54 15.828 -19.264 -1.215 1.00 0.00 N ATOM 862 CA ASN A 54 17.307 -19.334 -1.230 1.00 0.00 C ATOM 863 C ASN A 54 17.948 -17.990 -1.661 1.00 0.00 C ATOM 864 O ASN A 54 18.931 -17.558 -1.053 1.00 0.00 O ATOM 865 CB ASN A 54 17.771 -20.490 -2.154 1.00 0.00 C ATOM 866 CG ASN A 54 19.290 -20.559 -2.350 1.00 0.00 C ATOM 867 OD1 ASN A 54 20.006 -21.209 -1.584 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.785 -19.898 -3.385 1.00 0.00 N ATOM 0 H ASN A 54 15.386 -19.838 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 54 17.644 -19.533 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.425 -21.436 -1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.294 -20.377 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.788 -19.916 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.163 -19.371 -3.998 1.00 0.00 H new ATOM 875 N LYS A 55 17.388 -17.331 -2.705 1.00 0.00 N ATOM 876 CA LYS A 55 17.915 -16.027 -3.194 1.00 0.00 C ATOM 877 C LYS A 55 17.570 -14.867 -2.243 1.00 0.00 C ATOM 878 O LYS A 55 17.984 -13.728 -2.491 1.00 0.00 O ATOM 879 CB LYS A 55 17.409 -15.683 -4.622 1.00 0.00 C ATOM 880 CG LYS A 55 15.878 -15.537 -4.759 1.00 0.00 C ATOM 881 CD LYS A 55 15.441 -14.846 -6.074 1.00 0.00 C ATOM 882 CE LYS A 55 16.080 -15.463 -7.343 1.00 0.00 C ATOM 883 NZ LYS A 55 15.826 -16.924 -7.470 1.00 0.00 N ATOM 0 H LYS A 55 16.579 -17.675 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 55 18.998 -16.146 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.877 -14.752 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.747 -16.461 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.420 -16.525 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.498 -14.965 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.356 -14.902 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.703 -13.789 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.689 -14.954 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.156 -15.287 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.173 -17.258 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.322 -17.430 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.805 -17.106 -7.398 1.00 0.00 H new ATOM 897 N LEU A 56 16.780 -15.149 -1.189 1.00 0.00 N ATOM 898 CA LEU A 56 16.504 -14.175 -0.124 1.00 0.00 C ATOM 899 C LEU A 56 17.674 -14.123 0.873 1.00 0.00 C ATOM 900 O LEU A 56 17.754 -13.206 1.668 1.00 0.00 O ATOM 901 CB LEU A 56 15.195 -14.510 0.625 1.00 0.00 C ATOM 902 CG LEU A 56 13.910 -14.649 -0.245 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.679 -14.897 0.644 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.696 -13.425 -1.149 1.00 0.00 C ATOM 0 H LEU A 56 16.321 -16.050 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 56 16.387 -13.199 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.342 -15.444 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.020 -13.733 1.370 1.00 0.00 H new ATOM 0 HG LEU A 56 14.046 -15.512 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.791 -14.991 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.821 -15.815 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.552 -14.060 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.790 -13.562 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.596 -12.531 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.550 -13.312 -1.817 1.00 0.00 H new ATOM 916 N PHE A 57 18.552 -15.141 0.846 1.00 0.00 N ATOM 917 CA PHE A 57 19.814 -15.129 1.616 1.00 0.00 C ATOM 918 C PHE A 57 20.864 -14.251 0.907 1.00 0.00 C ATOM 919 O PHE A 57 20.858 -14.141 -0.330 1.00 0.00 O ATOM 920 CB PHE A 57 20.370 -16.558 1.796 1.00 0.00 C ATOM 921 CG PHE A 57 19.627 -17.404 2.821 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.491 -18.128 2.469 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.074 -17.476 4.145 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.824 -18.892 3.405 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.405 -18.241 5.077 1.00 0.00 C ATOM 926 CZ PHE A 57 18.283 -18.950 4.707 1.00 0.00 C ATOM 0 H PHE A 57 18.412 -15.989 0.296 1.00 0.00 H new ATOM 0 HA PHE A 57 19.600 -14.714 2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.341 -17.069 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.417 -16.492 2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.128 -18.091 1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.955 -16.925 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.942 -19.446 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.760 -18.284 6.096 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.761 -19.552 5.436 1.00 0.00 H new ATOM 936 N ASN A 58 21.761 -13.655 1.718 1.00 0.00 N ATOM 937 CA ASN A 58 22.850 -12.783 1.244 1.00 0.00 C ATOM 938 C ASN A 58 23.734 -13.535 0.212 1.00 0.00 C ATOM 939 O ASN A 58 24.393 -14.523 0.535 1.00 0.00 O ATOM 940 CB ASN A 58 23.668 -12.225 2.455 1.00 0.00 C ATOM 941 CG ASN A 58 24.333 -13.287 3.340 1.00 0.00 C ATOM 942 OD1 ASN A 58 25.515 -13.594 3.190 1.00 0.00 O ATOM 943 ND2 ASN A 58 23.571 -13.872 4.258 1.00 0.00 N ATOM 0 H ASN A 58 21.748 -13.768 2.732 1.00 0.00 H new ATOM 0 HA ASN A 58 22.427 -11.921 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 58 24.441 -11.557 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.004 -11.623 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 58 23.963 -14.596 4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 58 22.594 -13.597 4.360 1.00 0.00 H new ATOM 950 N THR A 59 23.679 -13.069 -1.053 1.00 0.00 N ATOM 951 CA THR A 59 24.214 -13.808 -2.219 1.00 0.00 C ATOM 952 C THR A 59 25.741 -13.668 -2.361 1.00 0.00 C ATOM 953 O THR A 59 26.383 -14.487 -3.033 1.00 0.00 O ATOM 954 CB THR A 59 23.503 -13.359 -3.540 1.00 0.00 C ATOM 955 OG1 THR A 59 23.896 -14.203 -4.638 1.00 0.00 O ATOM 956 CG2 THR A 59 23.786 -11.884 -3.898 1.00 0.00 C ATOM 0 H THR A 59 23.263 -12.170 -1.296 1.00 0.00 H new ATOM 0 HA THR A 59 24.002 -14.862 -2.041 1.00 0.00 H new ATOM 0 HB THR A 59 22.432 -13.456 -3.362 1.00 0.00 H new ATOM 0 HG1 THR A 59 23.441 -13.910 -5.455 1.00 0.00 H new ATOM 0 HG21 THR A 59 23.268 -11.628 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 59 23.432 -11.240 -3.093 1.00 0.00 H new ATOM 0 HG23 THR A 59 24.858 -11.741 -4.032 1.00 0.00 H new ATOM 964 N HIS A 60 26.309 -12.619 -1.743 1.00 0.00 N ATOM 965 CA HIS A 60 27.761 -12.379 -1.749 1.00 0.00 C ATOM 966 C HIS A 60 28.468 -13.307 -0.746 1.00 0.00 C ATOM 967 O HIS A 60 27.815 -13.968 0.078 1.00 0.00 O ATOM 968 CB HIS A 60 28.065 -10.884 -1.439 1.00 0.00 C ATOM 969 CG HIS A 60 27.607 -9.940 -2.523 1.00 0.00 C ATOM 970 ND1 HIS A 60 28.315 -9.741 -3.687 1.00 0.00 N ATOM 971 CD2 HIS A 60 26.500 -9.166 -2.629 1.00 0.00 C ATOM 972 CE1 HIS A 60 27.667 -8.892 -4.459 1.00 0.00 C ATOM 973 NE2 HIS A 60 26.560 -8.532 -3.843 1.00 0.00 N ATOM 0 H HIS A 60 25.777 -11.917 -1.228 1.00 0.00 H new ATOM 0 HA HIS A 60 28.147 -12.605 -2.743 1.00 0.00 H new ATOM 0 HB2 HIS A 60 27.582 -10.610 -0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 60 29.138 -10.763 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 60 25.716 -9.067 -1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 60 27.989 -8.550 -5.431 1.00 0.00 H new ATOM 0 HE2 HIS A 60 25.861 -7.886 -4.210 1.00 0.00 H new ATOM 982 N GLY A 61 29.811 -13.360 -0.846 1.00 0.00 N ATOM 983 CA GLY A 61 30.642 -14.163 0.057 1.00 0.00 C ATOM 984 C GLY A 61 30.744 -13.545 1.446 1.00 0.00 C ATOM 985 O GLY A 61 31.811 -13.070 1.855 1.00 0.00 O ATOM 0 H GLY A 61 30.342 -12.849 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 61 30.224 -15.166 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 61 31.641 -14.267 -0.367 1.00 0.00 H new ATOM 989 N ALA A 62 29.617 -13.572 2.166 1.00 0.00 N ATOM 990 CA ALA A 62 29.448 -12.922 3.472 1.00 0.00 C ATOM 991 C ALA A 62 29.002 -13.983 4.507 1.00 0.00 C ATOM 992 O ALA A 62 29.565 -15.080 4.520 1.00 0.00 O ATOM 993 CB ALA A 62 28.445 -11.758 3.313 1.00 0.00 C ATOM 0 H ALA A 62 28.777 -14.057 1.850 1.00 0.00 H new ATOM 0 HA ALA A 62 30.382 -12.497 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 62 28.307 -11.263 4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 62 28.831 -11.042 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 62 27.488 -12.147 2.964 1.00 0.00 H new ATOM 999 N LYS A 63 27.982 -13.684 5.352 1.00 0.00 N ATOM 1000 CA LYS A 63 27.526 -14.596 6.433 1.00 0.00 C ATOM 1001 C LYS A 63 26.959 -15.938 5.909 1.00 0.00 C ATOM 1002 O LYS A 63 26.924 -16.924 6.643 1.00 0.00 O ATOM 1003 CB LYS A 63 26.491 -13.893 7.329 1.00 0.00 C ATOM 1004 CG LYS A 63 26.996 -12.607 8.028 1.00 0.00 C ATOM 1005 CD LYS A 63 25.863 -11.860 8.772 1.00 0.00 C ATOM 1006 CE LYS A 63 24.791 -11.314 7.809 1.00 0.00 C ATOM 1007 NZ LYS A 63 25.286 -10.170 7.001 1.00 0.00 N ATOM 0 H LYS A 63 27.456 -12.811 5.304 1.00 0.00 H new ATOM 0 HA LYS A 63 28.412 -14.843 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.620 -13.641 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.156 -14.596 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.783 -12.866 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.440 -11.943 7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.395 -12.535 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.289 -11.035 9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.465 -12.112 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.918 -11.000 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.519 -9.816 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.605 -9.409 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.081 -10.482 6.408 1.00 0.00 H new ATOM 1021 N TYR A 64 26.547 -15.962 4.639 1.00 0.00 N ATOM 1022 CA TYR A 64 26.055 -17.183 3.945 1.00 0.00 C ATOM 1023 C TYR A 64 27.125 -18.303 3.957 1.00 0.00 C ATOM 1024 O TYR A 64 26.797 -19.496 3.947 1.00 0.00 O ATOM 1025 CB TYR A 64 25.667 -16.813 2.491 1.00 0.00 C ATOM 1026 CG TYR A 64 24.916 -17.899 1.698 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.572 -18.157 1.945 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.541 -18.640 0.692 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.878 -19.104 1.220 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.850 -19.598 -0.033 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.515 -19.825 0.237 1.00 0.00 C ATOM 1032 OH TYR A 64 22.812 -20.768 -0.489 1.00 0.00 O ATOM 0 H TYR A 64 26.541 -15.132 4.046 1.00 0.00 H new ATOM 0 HA TYR A 64 25.180 -17.564 4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.048 -15.916 2.518 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.576 -16.556 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.061 -17.605 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.584 -18.463 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.832 -19.279 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.352 -20.163 -0.804 1.00 0.00 H new ATOM 0 HH TYR A 64 21.883 -20.475 -0.593 1.00 0.00 H new ATOM 1042 N ARG A 65 28.403 -17.888 4.002 1.00 0.00 N ATOM 1043 CA ARG A 65 29.564 -18.797 3.998 1.00 0.00 C ATOM 1044 C ARG A 65 30.430 -18.601 5.261 1.00 0.00 C ATOM 1045 O ARG A 65 31.253 -19.464 5.588 1.00 0.00 O ATOM 1046 CB ARG A 65 30.379 -18.612 2.676 1.00 0.00 C ATOM 1047 CG ARG A 65 31.030 -17.218 2.430 1.00 0.00 C ATOM 1048 CD ARG A 65 32.403 -17.052 3.111 1.00 0.00 C ATOM 1049 NE ARG A 65 32.957 -15.696 2.956 1.00 0.00 N ATOM 1050 CZ ARG A 65 33.829 -15.116 3.794 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.246 -15.740 4.891 1.00 0.00 N ATOM 1052 NH2 ARG A 65 34.287 -13.906 3.522 1.00 0.00 N ATOM 0 H ARG A 65 28.662 -16.902 4.043 1.00 0.00 H new ATOM 0 HA ARG A 65 29.211 -19.828 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.170 -19.362 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.717 -18.828 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 65 31.144 -17.063 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 65 30.357 -16.442 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 65 32.307 -17.281 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 65 33.102 -17.775 2.691 1.00 0.00 H new ATOM 0 HE ARG A 65 32.653 -15.155 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.903 -16.676 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 65 34.910 -15.283 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 65 33.977 -13.421 2.680 1.00 0.00 H new ATOM 0 HH22 ARG A 65 34.950 -13.458 4.154 1.00 0.00 H new ATOM 1066 N GLU A 66 30.236 -17.461 5.961 1.00 0.00 N ATOM 1067 CA GLU A 66 30.961 -17.148 7.218 1.00 0.00 C ATOM 1068 C GLU A 66 30.438 -18.044 8.342 1.00 0.00 C ATOM 1069 O GLU A 66 31.208 -18.663 9.087 1.00 0.00 O ATOM 1070 CB GLU A 66 30.790 -15.654 7.606 1.00 0.00 C ATOM 1071 CG GLU A 66 31.670 -15.178 8.784 1.00 0.00 C ATOM 1072 CD GLU A 66 33.178 -15.306 8.502 1.00 0.00 C ATOM 1073 OE1 GLU A 66 33.713 -14.491 7.713 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.827 -16.232 9.041 1.00 0.00 O ATOM 0 H GLU A 66 29.578 -16.736 5.675 1.00 0.00 H new ATOM 0 HA GLU A 66 32.024 -17.335 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.015 -15.040 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 66 29.745 -15.478 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.435 -14.137 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.422 -15.759 9.673 1.00 0.00 H new ATOM 1081 N LEU A 67 29.104 -18.105 8.430 1.00 0.00 N ATOM 1082 CA LEU A 67 28.384 -19.025 9.321 1.00 0.00 C ATOM 1083 C LEU A 67 28.381 -20.444 8.712 1.00 0.00 C ATOM 1084 O LEU A 67 28.053 -21.422 9.395 1.00 0.00 O ATOM 1085 CB LEU A 67 26.924 -18.531 9.513 1.00 0.00 C ATOM 1086 CG LEU A 67 26.736 -17.006 9.800 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.242 -16.642 9.909 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.519 -16.547 11.048 1.00 0.00 C ATOM 0 H LEU A 67 28.486 -17.510 7.878 1.00 0.00 H new ATOM 0 HA LEU A 67 28.883 -19.053 10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.358 -18.782 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.480 -19.090 10.336 1.00 0.00 H new ATOM 0 HG LEU A 67 27.153 -16.466 8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.141 -15.575 10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.739 -16.885 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.788 -17.208 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.358 -15.481 11.207 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.171 -17.101 11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.582 -16.735 10.900 1.00 0.00 H new ATOM 1100 N ASP A 68 28.737 -20.501 7.399 1.00 0.00 N ATOM 1101 CA ASP A 68 28.731 -21.713 6.566 1.00 0.00 C ATOM 1102 C ASP A 68 27.304 -22.273 6.519 1.00 0.00 C ATOM 1103 O ASP A 68 27.050 -23.455 6.781 1.00 0.00 O ATOM 1104 CB ASP A 68 29.813 -22.739 7.053 1.00 0.00 C ATOM 1105 CG ASP A 68 30.037 -23.951 6.123 1.00 0.00 C ATOM 1106 OD1 ASP A 68 29.962 -23.794 4.879 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.317 -25.065 6.627 1.00 0.00 O ATOM 0 H ASP A 68 29.043 -19.674 6.886 1.00 0.00 H new ATOM 0 HA ASP A 68 29.018 -21.477 5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.760 -22.214 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.525 -23.106 8.038 1.00 0.00 H new ATOM 1112 N LEU A 69 26.357 -21.362 6.181 1.00 0.00 N ATOM 1113 CA LEU A 69 24.933 -21.680 6.118 1.00 0.00 C ATOM 1114 C LEU A 69 24.658 -22.702 5.026 1.00 0.00 C ATOM 1115 O LEU A 69 23.836 -23.563 5.218 1.00 0.00 O ATOM 1116 CB LEU A 69 24.061 -20.426 5.859 1.00 0.00 C ATOM 1117 CG LEU A 69 24.009 -19.361 6.993 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.144 -18.162 6.567 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.496 -19.972 8.321 1.00 0.00 C ATOM 0 H LEU A 69 26.572 -20.393 5.947 1.00 0.00 H new ATOM 0 HA LEU A 69 24.666 -22.091 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.425 -19.940 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.042 -20.757 5.656 1.00 0.00 H new ATOM 0 HG LEU A 69 25.025 -19.007 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.119 -17.427 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.569 -17.706 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.130 -18.502 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.472 -19.201 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.492 -20.370 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.163 -20.776 8.633 1.00 0.00 H new ATOM 1131 N LYS A 70 25.360 -22.597 3.887 1.00 0.00 N ATOM 1132 CA LYS A 70 25.132 -23.479 2.721 1.00 0.00 C ATOM 1133 C LYS A 70 25.194 -24.984 3.116 1.00 0.00 C ATOM 1134 O LYS A 70 24.401 -25.803 2.619 1.00 0.00 O ATOM 1135 CB LYS A 70 26.153 -23.169 1.597 1.00 0.00 C ATOM 1136 CG LYS A 70 25.873 -23.914 0.274 1.00 0.00 C ATOM 1137 CD LYS A 70 24.494 -23.549 -0.320 1.00 0.00 C ATOM 1138 CE LYS A 70 24.151 -24.336 -1.590 1.00 0.00 C ATOM 1139 NZ LYS A 70 22.867 -23.891 -2.183 1.00 0.00 N ATOM 0 H LYS A 70 26.097 -21.906 3.744 1.00 0.00 H new ATOM 0 HA LYS A 70 24.128 -23.278 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.153 -22.096 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.152 -23.430 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.653 -23.674 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.919 -24.989 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.724 -23.730 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.474 -22.483 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.951 -24.214 -2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.094 -25.399 -1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.669 -24.446 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.100 -24.031 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.930 -22.883 -2.431 1.00 0.00 H new ATOM 1153 N ASN A 71 26.110 -25.291 4.057 1.00 0.00 N ATOM 1154 CA ASN A 71 26.314 -26.645 4.623 1.00 0.00 C ATOM 1155 C ASN A 71 25.009 -27.176 5.249 1.00 0.00 C ATOM 1156 O ASN A 71 24.587 -28.304 4.959 1.00 0.00 O ATOM 1157 CB ASN A 71 27.446 -26.584 5.688 1.00 0.00 C ATOM 1158 CG ASN A 71 27.954 -27.942 6.213 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.241 -28.946 6.243 1.00 0.00 O ATOM 1160 ND2 ASN A 71 29.200 -27.970 6.671 1.00 0.00 N ATOM 0 H ASN A 71 26.741 -24.594 4.453 1.00 0.00 H new ATOM 0 HA ASN A 71 26.602 -27.330 3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.291 -26.043 5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.089 -26.000 6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.582 -28.834 7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.775 -27.128 6.637 1.00 0.00 H new ATOM 1167 N LYS A 72 24.369 -26.354 6.101 1.00 0.00 N ATOM 1168 CA LYS A 72 23.099 -26.733 6.742 1.00 0.00 C ATOM 1169 C LYS A 72 21.931 -26.606 5.741 1.00 0.00 C ATOM 1170 O LYS A 72 21.053 -27.446 5.746 1.00 0.00 O ATOM 1171 CB LYS A 72 22.842 -25.908 8.045 1.00 0.00 C ATOM 1172 CG LYS A 72 22.635 -24.397 7.854 1.00 0.00 C ATOM 1173 CD LYS A 72 22.493 -23.625 9.194 1.00 0.00 C ATOM 1174 CE LYS A 72 21.156 -23.891 9.898 1.00 0.00 C ATOM 1175 NZ LYS A 72 20.990 -23.153 11.172 1.00 0.00 N ATOM 0 H LYS A 72 24.709 -25.428 6.360 1.00 0.00 H new ATOM 0 HA LYS A 72 23.169 -27.778 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.962 -26.316 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.686 -26.057 8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.477 -23.989 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.742 -24.232 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.310 -23.907 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.591 -22.556 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.342 -23.621 9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.066 -24.959 10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.979 -22.984 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.387 -23.714 11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.488 -22.242 11.113 1.00 0.00 H new ATOM 1189 N LEU A 73 21.975 -25.607 4.831 1.00 0.00 N ATOM 1190 CA LEU A 73 20.832 -25.255 3.945 1.00 0.00 C ATOM 1191 C LEU A 73 20.528 -26.359 2.927 1.00 0.00 C ATOM 1192 O LEU A 73 19.370 -26.540 2.537 1.00 0.00 O ATOM 1193 CB LEU A 73 21.046 -23.896 3.210 1.00 0.00 C ATOM 1194 CG LEU A 73 21.082 -22.614 4.102 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.178 -21.333 3.251 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.884 -22.560 5.059 1.00 0.00 C ATOM 0 H LEU A 73 22.798 -25.022 4.687 1.00 0.00 H new ATOM 0 HA LEU A 73 19.970 -25.150 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.984 -23.952 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.249 -23.777 2.476 1.00 0.00 H new ATOM 0 HG LEU A 73 21.985 -22.670 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.201 -20.462 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 73 22.089 -21.361 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.313 -21.269 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.942 -21.655 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.958 -22.553 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.899 -23.434 5.711 1.00 0.00 H new ATOM 1208 N GLN A 74 21.573 -27.093 2.507 1.00 0.00 N ATOM 1209 CA GLN A 74 21.436 -28.188 1.525 1.00 0.00 C ATOM 1210 C GLN A 74 20.803 -29.461 2.151 1.00 0.00 C ATOM 1211 O GLN A 74 20.436 -30.386 1.420 1.00 0.00 O ATOM 1212 CB GLN A 74 22.821 -28.485 0.853 1.00 0.00 C ATOM 1213 CG GLN A 74 23.961 -28.957 1.806 1.00 0.00 C ATOM 1214 CD GLN A 74 23.941 -30.448 2.202 1.00 0.00 C ATOM 1215 OE1 GLN A 74 24.330 -30.811 3.311 1.00 0.00 O ATOM 1216 NE2 GLN A 74 23.508 -31.320 1.296 1.00 0.00 N ATOM 0 H GLN A 74 22.528 -26.948 2.834 1.00 0.00 H new ATOM 0 HA GLN A 74 20.745 -27.863 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.675 -29.249 0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 74 23.154 -27.582 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 74 24.917 -28.741 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.916 -28.360 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 74 23.191 -30.992 0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 74 23.493 -32.316 1.514 1.00 0.00 H new ATOM 1225 N THR A 75 20.671 -29.505 3.506 1.00 0.00 N ATOM 1226 CA THR A 75 20.149 -30.694 4.224 1.00 0.00 C ATOM 1227 C THR A 75 18.849 -30.394 5.012 1.00 0.00 C ATOM 1228 O THR A 75 18.025 -31.302 5.191 1.00 0.00 O ATOM 1229 CB THR A 75 21.240 -31.337 5.166 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.762 -32.577 5.715 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.667 -30.418 6.321 1.00 0.00 C ATOM 0 H THR A 75 20.920 -28.729 4.119 1.00 0.00 H new ATOM 0 HA THR A 75 19.896 -31.422 3.454 1.00 0.00 H new ATOM 0 HB THR A 75 22.114 -31.505 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.450 -32.964 6.296 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.418 -30.922 6.929 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.086 -29.496 5.917 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.800 -30.182 6.938 1.00 0.00 H new ATOM 1239 N LEU A 76 18.644 -29.133 5.474 1.00 0.00 N ATOM 1240 CA LEU A 76 17.438 -28.769 6.273 1.00 0.00 C ATOM 1241 C LEU A 76 16.199 -28.497 5.390 1.00 0.00 C ATOM 1242 O LEU A 76 16.250 -28.606 4.158 1.00 0.00 O ATOM 1243 CB LEU A 76 17.743 -27.570 7.243 1.00 0.00 C ATOM 1244 CG LEU A 76 18.397 -26.276 6.645 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.499 -25.504 5.680 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.914 -25.352 7.755 1.00 0.00 C ATOM 0 H LEU A 76 19.287 -28.358 5.311 1.00 0.00 H new ATOM 0 HA LEU A 76 17.187 -29.636 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.806 -27.280 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.398 -27.939 8.032 1.00 0.00 H new ATOM 0 HG LEU A 76 19.238 -26.632 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.029 -24.625 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.234 -26.144 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.592 -25.192 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.362 -24.464 7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 76 18.085 -25.057 8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.663 -25.878 8.347 1.00 0.00 H new ATOM 1258 N SER A 77 15.092 -28.122 6.054 1.00 0.00 N ATOM 1259 CA SER A 77 13.817 -27.776 5.400 1.00 0.00 C ATOM 1260 C SER A 77 13.739 -26.263 5.149 1.00 0.00 C ATOM 1261 O SER A 77 14.406 -25.480 5.839 1.00 0.00 O ATOM 1262 CB SER A 77 12.641 -28.212 6.304 1.00 0.00 C ATOM 1263 OG SER A 77 12.730 -29.585 6.632 1.00 0.00 O ATOM 0 H SER A 77 15.056 -28.050 7.071 1.00 0.00 H new ATOM 0 HA SER A 77 13.758 -28.294 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.640 -27.617 7.217 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.697 -28.017 5.796 1.00 0.00 H new ATOM 0 HG SER A 77 11.975 -29.834 7.206 1.00 0.00 H new ATOM 1269 N ASP A 78 12.882 -25.854 4.198 1.00 0.00 N ATOM 1270 CA ASP A 78 12.690 -24.431 3.847 1.00 0.00 C ATOM 1271 C ASP A 78 12.155 -23.604 5.036 1.00 0.00 C ATOM 1272 O ASP A 78 12.295 -22.382 5.045 1.00 0.00 O ATOM 1273 CB ASP A 78 11.763 -24.295 2.615 1.00 0.00 C ATOM 1274 CG ASP A 78 12.387 -24.899 1.342 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.247 -24.240 0.714 1.00 0.00 O ATOM 1276 OD2 ASP A 78 12.041 -26.039 0.968 1.00 0.00 O ATOM 0 H ASP A 78 12.305 -26.494 3.652 1.00 0.00 H new ATOM 0 HA ASP A 78 13.669 -24.024 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.814 -24.790 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.543 -23.241 2.444 1.00 0.00 H new ATOM 1281 N ASP A 79 11.566 -24.292 6.039 1.00 0.00 N ATOM 1282 CA ASP A 79 11.091 -23.665 7.289 1.00 0.00 C ATOM 1283 C ASP A 79 12.261 -23.082 8.100 1.00 0.00 C ATOM 1284 O ASP A 79 12.196 -21.949 8.573 1.00 0.00 O ATOM 1285 CB ASP A 79 10.309 -24.690 8.144 1.00 0.00 C ATOM 1286 CG ASP A 79 9.636 -24.051 9.376 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.696 -23.236 9.191 1.00 0.00 O ATOM 1288 OD2 ASP A 79 10.021 -24.363 10.521 1.00 0.00 O ATOM 0 H ASP A 79 11.407 -25.299 6.003 1.00 0.00 H new ATOM 0 HA ASP A 79 10.424 -22.846 7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.548 -25.166 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.989 -25.475 8.474 1.00 0.00 H new ATOM 1293 N GLU A 80 13.327 -23.880 8.236 1.00 0.00 N ATOM 1294 CA GLU A 80 14.550 -23.493 8.961 1.00 0.00 C ATOM 1295 C GLU A 80 15.233 -22.288 8.275 1.00 0.00 C ATOM 1296 O GLU A 80 15.804 -21.420 8.942 1.00 0.00 O ATOM 1297 CB GLU A 80 15.512 -24.717 9.049 1.00 0.00 C ATOM 1298 CG GLU A 80 16.077 -25.012 10.454 1.00 0.00 C ATOM 1299 CD GLU A 80 16.831 -23.829 11.096 1.00 0.00 C ATOM 1300 OE1 GLU A 80 17.983 -23.558 10.692 1.00 0.00 O ATOM 1301 OE2 GLU A 80 16.287 -23.174 12.011 1.00 0.00 O ATOM 0 H GLU A 80 13.368 -24.821 7.844 1.00 0.00 H new ATOM 0 HA GLU A 80 14.287 -23.185 9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.981 -25.601 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.346 -24.552 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.256 -25.303 11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.752 -25.866 10.390 1.00 0.00 H new ATOM 1308 N LYS A 81 15.148 -22.259 6.932 1.00 0.00 N ATOM 1309 CA LYS A 81 15.657 -21.141 6.107 1.00 0.00 C ATOM 1310 C LYS A 81 14.928 -19.823 6.465 1.00 0.00 C ATOM 1311 O LYS A 81 15.556 -18.764 6.625 1.00 0.00 O ATOM 1312 CB LYS A 81 15.477 -21.460 4.601 1.00 0.00 C ATOM 1313 CG LYS A 81 16.187 -22.733 4.116 1.00 0.00 C ATOM 1314 CD LYS A 81 15.996 -23.010 2.607 1.00 0.00 C ATOM 1315 CE LYS A 81 16.564 -24.375 2.170 1.00 0.00 C ATOM 1316 NZ LYS A 81 16.259 -24.682 0.750 1.00 0.00 N ATOM 0 H LYS A 81 14.725 -23.009 6.386 1.00 0.00 H new ATOM 0 HA LYS A 81 16.719 -21.015 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.412 -21.554 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.844 -20.614 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.253 -22.649 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.815 -23.586 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.933 -22.971 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.481 -22.220 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.644 -24.381 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.151 -25.158 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.539 -25.661 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.239 -24.570 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.785 -24.030 0.133 1.00 0.00 H new ATOM 1330 N LEU A 82 13.592 -19.930 6.594 1.00 0.00 N ATOM 1331 CA LEU A 82 12.709 -18.819 7.009 1.00 0.00 C ATOM 1332 C LEU A 82 13.098 -18.306 8.408 1.00 0.00 C ATOM 1333 O LEU A 82 13.125 -17.094 8.648 1.00 0.00 O ATOM 1334 CB LEU A 82 11.237 -19.300 7.020 1.00 0.00 C ATOM 1335 CG LEU A 82 10.651 -19.737 5.639 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.380 -20.587 5.803 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.370 -18.516 4.757 1.00 0.00 C ATOM 0 H LEU A 82 13.089 -20.798 6.412 1.00 0.00 H new ATOM 0 HA LEU A 82 12.822 -18.001 6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.155 -20.140 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.616 -18.498 7.419 1.00 0.00 H new ATOM 0 HG LEU A 82 11.402 -20.356 5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.003 -20.871 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.614 -21.485 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.621 -20.009 6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.963 -18.844 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.650 -17.866 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.297 -17.968 4.588 1.00 0.00 H new ATOM 1349 N GLU A 83 13.401 -19.259 9.316 1.00 0.00 N ATOM 1350 CA GLU A 83 13.791 -18.959 10.707 1.00 0.00 C ATOM 1351 C GLU A 83 15.113 -18.168 10.761 1.00 0.00 C ATOM 1352 O GLU A 83 15.244 -17.236 11.556 1.00 0.00 O ATOM 1353 CB GLU A 83 13.914 -20.259 11.546 1.00 0.00 C ATOM 1354 CG GLU A 83 12.615 -21.090 11.649 1.00 0.00 C ATOM 1355 CD GLU A 83 12.611 -22.110 12.802 1.00 0.00 C ATOM 1356 OE1 GLU A 83 12.936 -21.721 13.951 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.238 -23.283 12.583 1.00 0.00 O ATOM 0 H GLU A 83 13.382 -20.256 9.104 1.00 0.00 H new ATOM 0 HA GLU A 83 13.003 -18.341 11.137 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.694 -20.883 11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.241 -19.996 12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.771 -20.411 11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.460 -21.620 10.709 1.00 0.00 H new ATOM 1364 N LEU A 84 16.075 -18.554 9.904 1.00 0.00 N ATOM 1365 CA LEU A 84 17.377 -17.865 9.785 1.00 0.00 C ATOM 1366 C LEU A 84 17.187 -16.404 9.329 1.00 0.00 C ATOM 1367 O LEU A 84 17.779 -15.474 9.906 1.00 0.00 O ATOM 1368 CB LEU A 84 18.294 -18.633 8.796 1.00 0.00 C ATOM 1369 CG LEU A 84 18.769 -20.044 9.271 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.449 -20.820 8.131 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.707 -19.935 10.494 1.00 0.00 C ATOM 0 H LEU A 84 15.974 -19.350 9.275 1.00 0.00 H new ATOM 0 HA LEU A 84 17.853 -17.849 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.763 -18.747 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.174 -18.022 8.595 1.00 0.00 H new ATOM 0 HG LEU A 84 17.882 -20.602 9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.767 -21.797 8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.745 -20.951 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.318 -20.263 7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.021 -20.932 10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.584 -19.344 10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.179 -19.451 11.316 1.00 0.00 H new ATOM 1383 N LEU A 85 16.330 -16.222 8.305 1.00 0.00 N ATOM 1384 CA LEU A 85 16.005 -14.889 7.766 1.00 0.00 C ATOM 1385 C LEU A 85 15.276 -14.015 8.820 1.00 0.00 C ATOM 1386 O LEU A 85 15.466 -12.801 8.865 1.00 0.00 O ATOM 1387 CB LEU A 85 15.121 -15.009 6.495 1.00 0.00 C ATOM 1388 CG LEU A 85 15.748 -15.725 5.256 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.777 -15.682 4.062 1.00 0.00 C ATOM 1390 CD2 LEU A 85 17.123 -15.130 4.877 1.00 0.00 C ATOM 0 H LEU A 85 15.848 -16.987 7.833 1.00 0.00 H new ATOM 0 HA LEU A 85 16.948 -14.408 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.209 -15.540 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.827 -14.004 6.192 1.00 0.00 H new ATOM 0 HG LEU A 85 15.918 -16.767 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.229 -16.185 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.848 -16.186 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.565 -14.645 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.522 -15.658 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.008 -14.073 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.810 -15.239 5.716 1.00 0.00 H new ATOM 1402 N SER A 86 14.438 -14.656 9.656 1.00 0.00 N ATOM 1403 CA SER A 86 13.673 -13.969 10.712 1.00 0.00 C ATOM 1404 C SER A 86 14.582 -13.575 11.891 1.00 0.00 C ATOM 1405 O SER A 86 14.381 -12.522 12.513 1.00 0.00 O ATOM 1406 CB SER A 86 12.522 -14.873 11.193 1.00 0.00 C ATOM 1407 OG SER A 86 11.616 -15.150 10.142 1.00 0.00 O ATOM 0 H SER A 86 14.273 -15.662 9.618 1.00 0.00 H new ATOM 0 HA SER A 86 13.256 -13.052 10.296 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.928 -15.807 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.994 -14.388 12.014 1.00 0.00 H new ATOM 0 HG SER A 86 12.009 -15.814 9.538 1.00 0.00 H new ATOM 1413 N SER A 87 15.587 -14.424 12.178 1.00 0.00 N ATOM 1414 CA SER A 87 16.552 -14.187 13.265 1.00 0.00 C ATOM 1415 C SER A 87 17.466 -13.002 12.928 1.00 0.00 C ATOM 1416 O SER A 87 17.799 -12.201 13.815 1.00 0.00 O ATOM 1417 CB SER A 87 17.392 -15.455 13.534 1.00 0.00 C ATOM 1418 OG SER A 87 16.576 -16.531 13.974 1.00 0.00 O ATOM 0 H SER A 87 15.751 -15.290 11.664 1.00 0.00 H new ATOM 0 HA SER A 87 15.993 -13.945 14.169 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.919 -15.744 12.625 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.150 -15.239 14.287 1.00 0.00 H new ATOM 0 HG SER A 87 16.039 -16.863 13.224 1.00 0.00 H new ATOM 1424 N ASP A 88 17.870 -12.894 11.642 1.00 0.00 N ATOM 1425 CA ASP A 88 18.739 -11.803 11.165 1.00 0.00 C ATOM 1426 C ASP A 88 18.205 -11.258 9.835 1.00 0.00 C ATOM 1427 O ASP A 88 18.218 -11.968 8.824 1.00 0.00 O ATOM 1428 CB ASP A 88 20.202 -12.297 10.980 1.00 0.00 C ATOM 1429 CG ASP A 88 20.856 -12.790 12.283 1.00 0.00 C ATOM 1430 OD1 ASP A 88 20.648 -13.966 12.660 1.00 0.00 O ATOM 1431 OD2 ASP A 88 21.577 -12.007 12.942 1.00 0.00 O ATOM 0 H ASP A 88 17.604 -13.557 10.914 1.00 0.00 H new ATOM 0 HA ASP A 88 18.736 -11.010 11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.214 -13.106 10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.801 -11.485 10.567 1.00 0.00 H new ATOM 1436 N GLY A 89 17.733 -9.997 9.848 1.00 0.00 N ATOM 1437 CA GLY A 89 17.427 -9.266 8.612 1.00 0.00 C ATOM 1438 C GLY A 89 18.667 -9.000 7.756 1.00 0.00 C ATOM 1439 O GLY A 89 18.561 -8.705 6.569 1.00 0.00 O ATOM 0 H GLY A 89 17.557 -9.467 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.704 -9.836 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.955 -8.316 8.865 1.00 0.00 H new ATOM 1443 N MET A 90 19.851 -9.101 8.383 1.00 0.00 N ATOM 1444 CA MET A 90 21.148 -8.997 7.695 1.00 0.00 C ATOM 1445 C MET A 90 21.470 -10.282 6.906 1.00 0.00 C ATOM 1446 O MET A 90 22.271 -10.251 5.956 1.00 0.00 O ATOM 1447 CB MET A 90 22.262 -8.686 8.723 1.00 0.00 C ATOM 1448 CG MET A 90 22.153 -7.336 9.465 1.00 0.00 C ATOM 1449 SD MET A 90 22.602 -5.887 8.465 1.00 0.00 S ATOM 1450 CE MET A 90 21.148 -5.594 7.464 1.00 0.00 C ATOM 0 H MET A 90 19.935 -9.258 9.387 1.00 0.00 H new ATOM 0 HA MET A 90 21.093 -8.181 6.975 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.275 -9.484 9.465 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.222 -8.716 8.207 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.130 -7.213 9.821 1.00 0.00 H new ATOM 0 HG3 MET A 90 22.795 -7.367 10.345 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.415 -5.652 6.409 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.393 -6.347 7.689 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.749 -4.604 7.683 1.00 0.00 H new ATOM 1460 N LEU A 91 20.870 -11.420 7.323 1.00 0.00 N ATOM 1461 CA LEU A 91 20.924 -12.675 6.553 1.00 0.00 C ATOM 1462 C LEU A 91 20.067 -12.566 5.295 1.00 0.00 C ATOM 1463 O LEU A 91 20.382 -13.195 4.275 1.00 0.00 O ATOM 1464 CB LEU A 91 20.490 -13.906 7.417 1.00 0.00 C ATOM 1465 CG LEU A 91 21.595 -14.512 8.335 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.103 -15.800 9.029 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.880 -14.774 7.530 1.00 0.00 C ATOM 0 H LEU A 91 20.342 -11.491 8.193 1.00 0.00 H new ATOM 0 HA LEU A 91 21.960 -12.837 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.647 -13.609 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.131 -14.688 6.748 1.00 0.00 H new ATOM 0 HG LEU A 91 21.822 -13.786 9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.896 -16.198 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.230 -15.573 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.835 -16.540 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.641 -15.197 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.667 -15.475 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.244 -13.836 7.110 1.00 0.00 H new ATOM 1479 N VAL A 92 18.990 -11.770 5.385 1.00 0.00 N ATOM 1480 CA VAL A 92 18.136 -11.473 4.234 1.00 0.00 C ATOM 1481 C VAL A 92 18.853 -10.457 3.322 1.00 0.00 C ATOM 1482 O VAL A 92 19.696 -9.663 3.785 1.00 0.00 O ATOM 1483 CB VAL A 92 16.713 -10.908 4.633 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.695 -11.052 3.469 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.174 -11.566 5.914 1.00 0.00 C ATOM 0 H VAL A 92 18.692 -11.320 6.251 1.00 0.00 H new ATOM 0 HA VAL A 92 17.963 -12.416 3.715 1.00 0.00 H new ATOM 0 HB VAL A 92 16.842 -9.845 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.729 -10.654 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.054 -10.499 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.587 -12.105 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.195 -11.150 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.083 -12.641 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.861 -11.374 6.738 1.00 0.00 H new ATOM 1495 N LYS A 93 18.531 -10.517 2.029 1.00 0.00 N ATOM 1496 CA LYS A 93 18.999 -9.553 1.041 1.00 0.00 C ATOM 1497 C LYS A 93 18.436 -8.174 1.386 1.00 0.00 C ATOM 1498 O LYS A 93 17.213 -7.980 1.357 1.00 0.00 O ATOM 1499 CB LYS A 93 18.545 -9.994 -0.368 1.00 0.00 C ATOM 1500 CG LYS A 93 19.190 -11.316 -0.852 1.00 0.00 C ATOM 1501 CD LYS A 93 20.481 -11.117 -1.682 1.00 0.00 C ATOM 1502 CE LYS A 93 20.179 -10.613 -3.104 1.00 0.00 C ATOM 1503 NZ LYS A 93 19.307 -11.564 -3.851 1.00 0.00 N ATOM 0 H LYS A 93 17.932 -11.244 1.638 1.00 0.00 H new ATOM 0 HA LYS A 93 20.088 -9.503 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.461 -10.108 -0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.783 -9.203 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.419 -11.936 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.464 -11.864 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.132 -10.404 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.024 -12.060 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.693 -9.639 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.114 -10.473 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.767 -11.827 -4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.153 -12.417 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.392 -11.112 -4.052 1.00 0.00 H new ATOM 1517 N ARG A 94 19.339 -7.258 1.775 1.00 0.00 N ATOM 1518 CA ARG A 94 18.991 -5.870 2.076 1.00 0.00 C ATOM 1519 C ARG A 94 18.234 -5.220 0.885 1.00 0.00 C ATOM 1520 O ARG A 94 17.148 -4.713 1.103 1.00 0.00 O ATOM 1521 CB ARG A 94 20.247 -5.055 2.486 1.00 0.00 C ATOM 1522 CG ARG A 94 21.011 -5.644 3.696 1.00 0.00 C ATOM 1523 CD ARG A 94 22.270 -4.845 4.054 1.00 0.00 C ATOM 1524 NE ARG A 94 23.288 -4.917 2.989 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.006 -3.884 2.527 1.00 0.00 C ATOM 1526 NH1 ARG A 94 23.776 -2.649 2.949 1.00 0.00 N ATOM 1527 NH2 ARG A 94 24.949 -4.100 1.630 1.00 0.00 N ATOM 0 H ARG A 94 20.331 -7.465 1.888 1.00 0.00 H new ATOM 0 HA ARG A 94 18.315 -5.863 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.925 -4.998 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.945 -4.035 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.347 -5.672 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.291 -6.674 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.001 -3.803 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.690 -5.227 4.984 1.00 0.00 H new ATOM 0 HE ARG A 94 23.460 -5.830 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 94 23.043 -2.473 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 94 24.332 -1.874 2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 94 25.126 -5.047 1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 94 25.501 -3.320 1.272 1.00 0.00 H new ATOM 1541 N PRO A 95 18.745 -5.274 -0.408 1.00 0.00 N ATOM 1542 CA PRO A 95 17.961 -4.809 -1.562 1.00 0.00 C ATOM 1543 C PRO A 95 16.876 -5.851 -1.948 1.00 0.00 C ATOM 1544 O PRO A 95 17.194 -6.924 -2.481 1.00 0.00 O ATOM 1545 CB PRO A 95 19.027 -4.615 -2.690 1.00 0.00 C ATOM 1546 CG PRO A 95 20.361 -4.889 -2.042 1.00 0.00 C ATOM 1547 CD PRO A 95 20.070 -5.778 -0.863 1.00 0.00 C ATOM 0 HA PRO A 95 17.411 -3.889 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.847 -5.298 -3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.989 -3.604 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 95 21.042 -5.376 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.839 -3.962 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.030 -6.830 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.829 -5.686 -0.086 1.00 0.00 H new ATOM 1555 N LEU A 96 15.620 -5.545 -1.593 1.00 0.00 N ATOM 1556 CA LEU A 96 14.440 -6.368 -1.920 1.00 0.00 C ATOM 1557 C LEU A 96 13.218 -5.438 -2.054 1.00 0.00 C ATOM 1558 O LEU A 96 13.161 -4.381 -1.434 1.00 0.00 O ATOM 1559 CB LEU A 96 14.250 -7.490 -0.827 1.00 0.00 C ATOM 1560 CG LEU A 96 12.966 -8.415 -0.910 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.231 -9.829 -0.333 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.742 -7.800 -0.198 1.00 0.00 C ATOM 0 H LEU A 96 15.389 -4.706 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 96 14.570 -6.885 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.127 -8.136 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.247 -7.005 0.149 1.00 0.00 H new ATOM 0 HG LEU A 96 12.740 -8.499 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.324 -10.429 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.032 -10.308 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.523 -9.746 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.892 -8.476 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.974 -7.645 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.495 -6.844 -0.660 1.00 0.00 H new ATOM 1574 N ALA A 97 12.256 -5.836 -2.886 1.00 0.00 N ATOM 1575 CA ALA A 97 10.967 -5.146 -3.033 1.00 0.00 C ATOM 1576 C ALA A 97 9.891 -6.210 -3.261 1.00 0.00 C ATOM 1577 O ALA A 97 9.949 -6.930 -4.249 1.00 0.00 O ATOM 1578 CB ALA A 97 11.025 -4.125 -4.185 1.00 0.00 C ATOM 0 H ALA A 97 12.347 -6.656 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 97 10.728 -4.579 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.061 -3.625 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.799 -3.386 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.257 -4.641 -5.117 1.00 0.00 H new ATOM 1584 N VAL A 98 8.947 -6.335 -2.320 1.00 0.00 N ATOM 1585 CA VAL A 98 7.887 -7.368 -2.362 1.00 0.00 C ATOM 1586 C VAL A 98 6.500 -6.711 -2.251 1.00 0.00 C ATOM 1587 O VAL A 98 6.343 -5.664 -1.636 1.00 0.00 O ATOM 1588 CB VAL A 98 8.092 -8.451 -1.220 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.984 -7.843 0.203 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.132 -9.661 -1.382 1.00 0.00 C ATOM 0 H VAL A 98 8.891 -5.725 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 98 7.953 -7.884 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 98 9.111 -8.819 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.132 -8.627 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.747 -7.075 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.997 -7.400 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.309 -10.376 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.099 -9.315 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.313 -10.143 -2.343 1.00 0.00 H new ATOM 1600 N MET A 99 5.508 -7.338 -2.878 1.00 0.00 N ATOM 1601 CA MET A 99 4.093 -6.950 -2.791 1.00 0.00 C ATOM 1602 C MET A 99 3.285 -8.245 -2.513 1.00 0.00 C ATOM 1603 O MET A 99 3.860 -9.225 -2.009 1.00 0.00 O ATOM 1604 CB MET A 99 3.651 -6.256 -4.121 1.00 0.00 C ATOM 1605 CG MET A 99 2.406 -5.344 -3.997 1.00 0.00 C ATOM 1606 SD MET A 99 1.390 -5.304 -5.498 1.00 0.00 S ATOM 1607 CE MET A 99 2.486 -4.526 -6.682 1.00 0.00 C ATOM 0 H MET A 99 5.664 -8.150 -3.476 1.00 0.00 H new ATOM 0 HA MET A 99 3.918 -6.232 -1.990 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.483 -5.661 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.447 -7.026 -4.865 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.795 -5.688 -3.163 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.729 -4.331 -3.759 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.023 -4.539 -7.669 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.673 -3.495 -6.382 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.430 -5.070 -6.717 1.00 0.00 H new ATOM 1617 N GLY A 100 1.963 -8.253 -2.803 1.00 0.00 N ATOM 1618 CA GLY A 100 1.152 -9.468 -2.707 1.00 0.00 C ATOM 1619 C GLY A 100 1.671 -10.602 -3.595 1.00 0.00 C ATOM 1620 O GLY A 100 2.245 -11.566 -3.093 1.00 0.00 O ATOM 0 H GLY A 100 1.445 -7.428 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.132 -9.805 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.124 -9.236 -2.986 1.00 0.00 H new ATOM 1624 N ASP A 101 1.514 -10.460 -4.921 1.00 0.00 N ATOM 1625 CA ASP A 101 1.888 -11.507 -5.904 1.00 0.00 C ATOM 1626 C ASP A 101 3.164 -11.132 -6.702 1.00 0.00 C ATOM 1627 O ASP A 101 3.698 -11.962 -7.449 1.00 0.00 O ATOM 1628 CB ASP A 101 0.704 -11.770 -6.870 1.00 0.00 C ATOM 1629 CG ASP A 101 0.402 -10.591 -7.814 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -0.030 -9.522 -7.329 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.613 -10.723 -9.041 1.00 0.00 O ATOM 0 H ASP A 101 1.125 -9.619 -5.348 1.00 0.00 H new ATOM 0 HA ASP A 101 2.114 -12.417 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.923 -12.655 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.188 -11.993 -6.285 1.00 0.00 H new ATOM 1636 N LYS A 102 3.642 -9.891 -6.530 1.00 0.00 N ATOM 1637 CA LYS A 102 4.802 -9.345 -7.278 1.00 0.00 C ATOM 1638 C LYS A 102 6.042 -9.254 -6.364 1.00 0.00 C ATOM 1639 O LYS A 102 5.896 -8.965 -5.179 1.00 0.00 O ATOM 1640 CB LYS A 102 4.447 -7.933 -7.805 1.00 0.00 C ATOM 1641 CG LYS A 102 3.215 -7.844 -8.726 1.00 0.00 C ATOM 1642 CD LYS A 102 3.378 -8.620 -10.051 1.00 0.00 C ATOM 1643 CE LYS A 102 2.190 -8.399 -11.007 1.00 0.00 C ATOM 1644 NZ LYS A 102 2.325 -9.194 -12.247 1.00 0.00 N ATOM 0 H LYS A 102 3.239 -9.229 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 102 5.030 -10.010 -8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.284 -7.278 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.309 -7.542 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.345 -8.229 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.014 -6.796 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.300 -8.307 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.476 -9.684 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.262 -8.669 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.119 -7.341 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.506 -9.017 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.197 -8.919 -12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.367 -10.205 -12.008 1.00 0.00 H new ATOM 1658 N ILE A 103 7.259 -9.480 -6.921 1.00 0.00 N ATOM 1659 CA ILE A 103 8.527 -9.345 -6.149 1.00 0.00 C ATOM 1660 C ILE A 103 9.757 -9.191 -7.086 1.00 0.00 C ATOM 1661 O ILE A 103 9.772 -9.728 -8.200 1.00 0.00 O ATOM 1662 CB ILE A 103 8.753 -10.556 -5.159 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.947 -10.278 -4.171 1.00 0.00 C ATOM 1664 CG2 ILE A 103 8.954 -11.881 -5.935 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.117 -11.294 -3.055 1.00 0.00 C ATOM 0 H ILE A 103 7.392 -9.755 -7.894 1.00 0.00 H new ATOM 0 HA ILE A 103 8.426 -8.436 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 103 7.852 -10.661 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.871 -10.238 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.806 -9.293 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.107 -12.697 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.071 -12.086 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.826 -11.794 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.965 -11.011 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.213 -11.321 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.295 -12.280 -3.484 1.00 0.00 H new ATOM 1677 N THR A 104 10.769 -8.440 -6.603 1.00 0.00 N ATOM 1678 CA THR A 104 12.069 -8.244 -7.267 1.00 0.00 C ATOM 1679 C THR A 104 13.194 -8.243 -6.204 1.00 0.00 C ATOM 1680 O THR A 104 13.059 -7.594 -5.160 1.00 0.00 O ATOM 1681 CB THR A 104 12.104 -6.895 -8.060 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.713 -5.810 -7.196 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.187 -6.912 -9.299 1.00 0.00 C ATOM 0 H THR A 104 10.700 -7.941 -5.716 1.00 0.00 H new ATOM 0 HA THR A 104 12.218 -9.061 -7.973 1.00 0.00 H new ATOM 0 HB THR A 104 13.128 -6.757 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.735 -5.756 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.250 -5.952 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.504 -7.706 -9.975 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.158 -7.090 -8.987 1.00 0.00 H new ATOM 1691 N LEU A 105 14.286 -8.986 -6.468 1.00 0.00 N ATOM 1692 CA LEU A 105 15.470 -9.052 -5.568 1.00 0.00 C ATOM 1693 C LEU A 105 16.650 -8.282 -6.176 1.00 0.00 C ATOM 1694 O LEU A 105 16.981 -8.477 -7.347 1.00 0.00 O ATOM 1695 CB LEU A 105 15.867 -10.540 -5.282 1.00 0.00 C ATOM 1696 CG LEU A 105 15.279 -11.172 -3.992 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.864 -10.499 -2.739 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.739 -11.125 -3.999 1.00 0.00 C ATOM 0 H LEU A 105 14.379 -9.559 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 105 15.207 -8.584 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.556 -11.147 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.954 -10.600 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 105 15.568 -12.223 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.438 -10.958 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.947 -10.625 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.623 -9.436 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.357 -11.575 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.407 -10.089 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.362 -11.678 -4.859 1.00 0.00 H new ATOM 1710 N GLY A 106 17.304 -7.444 -5.347 1.00 0.00 N ATOM 1711 CA GLY A 106 18.436 -6.608 -5.779 1.00 0.00 C ATOM 1712 C GLY A 106 18.028 -5.506 -6.754 1.00 0.00 C ATOM 1713 O GLY A 106 16.837 -5.351 -7.054 1.00 0.00 O ATOM 0 H GLY A 106 17.061 -7.330 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.901 -6.156 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.189 -7.241 -6.249 1.00 0.00 H new ATOM 1717 N PHE A 107 19.012 -4.728 -7.254 1.00 0.00 N ATOM 1718 CA PHE A 107 18.766 -3.773 -8.347 1.00 0.00 C ATOM 1719 C PHE A 107 18.701 -4.549 -9.670 1.00 0.00 C ATOM 1720 O PHE A 107 19.709 -4.744 -10.357 1.00 0.00 O ATOM 1721 CB PHE A 107 19.830 -2.635 -8.416 1.00 0.00 C ATOM 1722 CG PHE A 107 19.566 -1.628 -9.549 1.00 0.00 C ATOM 1723 CD1 PHE A 107 18.461 -0.778 -9.503 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.403 -1.551 -10.669 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.199 0.112 -10.532 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.142 -0.654 -11.695 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.040 0.174 -11.625 1.00 0.00 C ATOM 0 H PHE A 107 19.975 -4.744 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 107 17.816 -3.274 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 107 19.848 -2.105 -7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 107 20.817 -3.077 -8.554 1.00 0.00 H new ATOM 0 HD1 PHE A 107 17.798 -0.814 -8.651 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.264 -2.199 -10.735 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.335 0.758 -10.479 1.00 0.00 H new ATOM 0 HE2 PHE A 107 20.802 -0.604 -12.549 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.836 0.870 -12.425 1.00 0.00 H new ATOM 1737 N LYS A 108 17.517 -5.075 -9.960 1.00 0.00 N ATOM 1738 CA LYS A 108 17.218 -5.708 -11.239 1.00 0.00 C ATOM 1739 C LYS A 108 16.239 -4.805 -11.983 1.00 0.00 C ATOM 1740 O LYS A 108 15.034 -4.906 -11.783 1.00 0.00 O ATOM 1741 CB LYS A 108 16.638 -7.130 -11.029 1.00 0.00 C ATOM 1742 CG LYS A 108 17.618 -8.161 -10.436 1.00 0.00 C ATOM 1743 CD LYS A 108 18.774 -8.510 -11.400 1.00 0.00 C ATOM 1744 CE LYS A 108 19.704 -9.595 -10.833 1.00 0.00 C ATOM 1745 NZ LYS A 108 20.783 -9.964 -11.785 1.00 0.00 N ATOM 0 H LYS A 108 16.731 -5.074 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 108 18.127 -5.830 -11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.771 -7.057 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 108 16.280 -7.504 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 108 18.031 -7.770 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 108 17.073 -9.071 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.361 -8.850 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.354 -7.611 -11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.148 -9.240 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.119 -10.481 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.385 -10.698 -11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.362 -10.327 -12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.359 -9.125 -11.999 1.00 0.00 H new ATOM 1759 N GLU A 109 16.784 -3.880 -12.795 1.00 0.00 N ATOM 1760 CA GLU A 109 15.993 -2.890 -13.551 1.00 0.00 C ATOM 1761 C GLU A 109 15.066 -3.584 -14.565 1.00 0.00 C ATOM 1762 O GLU A 109 13.919 -3.164 -14.770 1.00 0.00 O ATOM 1763 CB GLU A 109 16.935 -1.890 -14.268 1.00 0.00 C ATOM 1764 CG GLU A 109 16.202 -0.799 -15.070 1.00 0.00 C ATOM 1765 CD GLU A 109 17.139 0.209 -15.746 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.685 1.088 -15.047 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.348 0.120 -16.976 1.00 0.00 O ATOM 0 H GLU A 109 17.789 -3.798 -12.946 1.00 0.00 H new ATOM 0 HA GLU A 109 15.368 -2.340 -12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.573 -1.412 -13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.589 -2.443 -14.942 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.585 -1.275 -15.832 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.527 -0.263 -14.403 1.00 0.00 H new ATOM 1774 N ASP A 110 15.590 -4.654 -15.187 1.00 0.00 N ATOM 1775 CA ASP A 110 14.820 -5.528 -16.085 1.00 0.00 C ATOM 1776 C ASP A 110 13.606 -6.122 -15.340 1.00 0.00 C ATOM 1777 O ASP A 110 12.471 -5.995 -15.806 1.00 0.00 O ATOM 1778 CB ASP A 110 15.733 -6.644 -16.654 1.00 0.00 C ATOM 1779 CG ASP A 110 14.990 -7.715 -17.480 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.581 -7.430 -18.626 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.822 -8.850 -16.989 1.00 0.00 O ATOM 0 H ASP A 110 16.564 -4.937 -15.080 1.00 0.00 H new ATOM 0 HA ASP A 110 14.444 -4.939 -16.922 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.499 -6.186 -17.280 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.248 -7.133 -15.827 1.00 0.00 H new ATOM 1786 N GLN A 111 13.857 -6.723 -14.157 1.00 0.00 N ATOM 1787 CA GLN A 111 12.790 -7.268 -13.303 1.00 0.00 C ATOM 1788 C GLN A 111 11.825 -6.171 -12.806 1.00 0.00 C ATOM 1789 O GLN A 111 10.647 -6.443 -12.621 1.00 0.00 O ATOM 1790 CB GLN A 111 13.385 -8.039 -12.103 1.00 0.00 C ATOM 1791 CG GLN A 111 14.117 -9.337 -12.474 1.00 0.00 C ATOM 1792 CD GLN A 111 13.182 -10.430 -12.988 1.00 0.00 C ATOM 1793 OE1 GLN A 111 12.955 -10.561 -14.187 1.00 0.00 O ATOM 1794 NE2 GLN A 111 12.603 -11.203 -12.075 1.00 0.00 N ATOM 0 H GLN A 111 14.795 -6.841 -13.774 1.00 0.00 H new ATOM 0 HA GLN A 111 12.214 -7.959 -13.918 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.079 -7.384 -11.576 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.581 -8.278 -11.407 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.865 -9.119 -13.237 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.652 -9.707 -11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.813 -11.069 -11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.949 -11.931 -12.363 1.00 0.00 H new ATOM 1803 N TYR A 112 12.323 -4.935 -12.588 1.00 0.00 N ATOM 1804 CA TYR A 112 11.482 -3.809 -12.112 1.00 0.00 C ATOM 1805 C TYR A 112 10.429 -3.435 -13.171 1.00 0.00 C ATOM 1806 O TYR A 112 9.228 -3.343 -12.867 1.00 0.00 O ATOM 1807 CB TYR A 112 12.335 -2.557 -11.746 1.00 0.00 C ATOM 1808 CG TYR A 112 13.207 -2.656 -10.482 1.00 0.00 C ATOM 1809 CD1 TYR A 112 12.882 -3.506 -9.427 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.351 -1.862 -10.337 1.00 0.00 C ATOM 1811 CE1 TYR A 112 13.663 -3.566 -8.287 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.130 -1.928 -9.201 1.00 0.00 C ATOM 1813 CZ TYR A 112 14.780 -2.779 -8.181 1.00 0.00 C ATOM 1814 OH TYR A 112 15.555 -2.841 -7.044 1.00 0.00 O ATOM 0 H TYR A 112 13.302 -4.689 -12.733 1.00 0.00 H new ATOM 0 HA TYR A 112 10.978 -4.146 -11.206 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.986 -2.331 -12.591 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.660 -1.709 -11.627 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.004 -4.130 -9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 112 14.629 -1.184 -11.131 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.393 -4.232 -7.481 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.013 -1.312 -9.113 1.00 0.00 H new ATOM 0 HH TYR A 112 16.031 -3.697 -7.019 1.00 0.00 H new ATOM 1824 N LYS A 113 10.889 -3.250 -14.421 1.00 0.00 N ATOM 1825 CA LYS A 113 10.009 -2.893 -15.543 1.00 0.00 C ATOM 1826 C LYS A 113 9.136 -4.097 -15.978 1.00 0.00 C ATOM 1827 O LYS A 113 8.098 -3.922 -16.618 1.00 0.00 O ATOM 1828 CB LYS A 113 10.841 -2.273 -16.724 1.00 0.00 C ATOM 1829 CG LYS A 113 11.868 -3.199 -17.443 1.00 0.00 C ATOM 1830 CD LYS A 113 11.225 -4.123 -18.511 1.00 0.00 C ATOM 1831 CE LYS A 113 12.220 -5.088 -19.172 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.538 -6.068 -20.063 1.00 0.00 N ATOM 0 H LYS A 113 11.872 -3.343 -14.678 1.00 0.00 H new ATOM 0 HA LYS A 113 9.313 -2.122 -15.212 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.140 -1.903 -17.472 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.380 -1.408 -16.338 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.630 -2.582 -17.919 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.374 -3.814 -16.699 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.427 -4.701 -18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.764 -3.506 -19.282 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.948 -4.519 -19.749 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.773 -5.623 -18.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.245 -6.551 -20.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.032 -6.769 -19.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.860 -5.569 -20.674 1.00 0.00 H new ATOM 1846 N GLU A 114 9.590 -5.314 -15.631 1.00 0.00 N ATOM 1847 CA GLU A 114 8.891 -6.569 -15.973 1.00 0.00 C ATOM 1848 C GLU A 114 7.752 -6.869 -14.971 1.00 0.00 C ATOM 1849 O GLU A 114 6.650 -7.270 -15.368 1.00 0.00 O ATOM 1850 CB GLU A 114 9.920 -7.735 -15.986 1.00 0.00 C ATOM 1851 CG GLU A 114 9.439 -9.048 -16.630 1.00 0.00 C ATOM 1852 CD GLU A 114 9.053 -8.905 -18.117 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.880 -8.405 -18.920 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.927 -9.303 -18.492 1.00 0.00 O ATOM 0 H GLU A 114 10.452 -5.457 -15.105 1.00 0.00 H new ATOM 0 HA GLU A 114 8.440 -6.463 -16.960 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.813 -7.400 -16.513 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.216 -7.944 -14.958 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.226 -9.797 -16.539 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.578 -9.421 -16.075 1.00 0.00 H new ATOM 1861 N THR A 115 8.028 -6.638 -13.675 1.00 0.00 N ATOM 1862 CA THR A 115 7.165 -7.089 -12.561 1.00 0.00 C ATOM 1863 C THR A 115 6.220 -5.962 -12.084 1.00 0.00 C ATOM 1864 O THR A 115 5.008 -6.178 -11.947 1.00 0.00 O ATOM 1865 CB THR A 115 8.047 -7.618 -11.375 1.00 0.00 C ATOM 1866 OG1 THR A 115 8.955 -8.623 -11.860 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.226 -8.209 -10.217 1.00 0.00 C ATOM 0 H THR A 115 8.858 -6.132 -13.367 1.00 0.00 H new ATOM 0 HA THR A 115 6.540 -7.904 -12.925 1.00 0.00 H new ATOM 0 HB THR A 115 8.585 -6.755 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.749 -8.191 -12.240 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.900 -8.555 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.562 -7.444 -9.814 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.633 -9.048 -10.582 1.00 0.00 H new ATOM 1875 N TRP A 116 6.778 -4.757 -11.843 1.00 0.00 N ATOM 1876 CA TRP A 116 6.000 -3.609 -11.314 1.00 0.00 C ATOM 1877 C TRP A 116 5.323 -2.836 -12.460 1.00 0.00 C ATOM 1878 O TRP A 116 4.146 -2.469 -12.379 1.00 0.00 O ATOM 1879 CB TRP A 116 6.911 -2.635 -10.498 1.00 0.00 C ATOM 1880 CG TRP A 116 7.810 -3.311 -9.483 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.178 -3.290 -9.456 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.412 -4.109 -8.357 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.643 -4.025 -8.403 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.583 -4.538 -7.718 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.185 -4.497 -7.824 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.563 -5.332 -6.581 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.171 -5.294 -6.698 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.353 -5.705 -6.089 1.00 0.00 C ATOM 0 H TRP A 116 7.764 -4.551 -12.005 1.00 0.00 H new ATOM 0 HA TRP A 116 5.235 -4.012 -10.650 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.532 -2.071 -11.194 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.278 -1.915 -9.980 1.00 0.00 H new ATOM 0 HD1 TRP A 116 9.801 -2.767 -10.166 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.625 -4.167 -8.167 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.261 -4.180 -8.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.480 -5.644 -6.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.225 -5.605 -6.281 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.307 -6.331 -5.210 1.00 0.00 H new ATOM 1899 N LEU A 117 6.099 -2.604 -13.529 1.00 0.00 N ATOM 1900 CA LEU A 117 5.705 -1.749 -14.673 1.00 0.00 C ATOM 1901 C LEU A 117 5.247 -2.608 -15.867 1.00 0.00 C ATOM 1902 O LEU A 117 5.148 -3.839 -15.738 1.00 0.00 O ATOM 1903 CB LEU A 117 6.915 -0.866 -15.059 1.00 0.00 C ATOM 1904 CG LEU A 117 7.528 -0.046 -13.882 1.00 0.00 C ATOM 1905 CD1 LEU A 117 8.885 0.566 -14.273 1.00 0.00 C ATOM 1906 CD2 LEU A 117 6.529 1.027 -13.393 1.00 0.00 C ATOM 0 H LEU A 117 7.030 -3.007 -13.631 1.00 0.00 H new ATOM 0 HA LEU A 117 4.863 -1.117 -14.390 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.691 -1.503 -15.483 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.607 -0.175 -15.843 1.00 0.00 H new ATOM 0 HG LEU A 117 7.717 -0.726 -13.051 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.285 1.131 -13.431 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.580 -0.230 -14.539 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.752 1.231 -15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.973 1.590 -12.572 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.294 1.706 -14.213 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.615 0.543 -13.049 1.00 0.00 H new ATOM 1918 N ALA A 118 4.984 -1.931 -17.019 1.00 0.00 N ATOM 1919 CA ALA A 118 4.467 -2.550 -18.262 1.00 0.00 C ATOM 1920 C ALA A 118 3.012 -3.072 -18.071 1.00 0.00 C ATOM 1921 O ALA A 118 2.814 -4.148 -17.458 1.00 0.00 O ATOM 1922 CB ALA A 118 5.414 -3.645 -18.800 1.00 0.00 C ATOM 1923 OXT ALA A 118 2.065 -2.386 -18.521 1.00 0.00 O ATOM 0 H ALA A 118 5.129 -0.925 -17.106 1.00 0.00 H new ATOM 0 HA ALA A 118 4.432 -1.771 -19.024 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.996 -4.072 -19.712 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.389 -3.208 -19.017 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.527 -4.429 -18.051 1.00 0.00 H new TER 1929 ALA A 118