USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1072 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 51 THR OG1 : rot 96:sc= -0.134 USER MOD Set 1.2: A 97 MET CE :methyl -152:sc= -0.77 (180deg=-0.903) USER MOD Single : A 2 SER OG : rot 180:sc= -0.171 USER MOD Single : A 3 HIS : no HD1:sc= -0.462 K(o=-0.46,f=-1.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -6.35! C(o=-6.3!,f=-5.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 31 SER OG : rot 100:sc= -0.265 USER MOD Single : A 32 THR OG1 : rot 118:sc= -0.0259 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.07! K(o=-3.1!,f=-2.5) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc=-0.00283 USER MOD Single : A 44 THR OG1 : rot -30:sc= 0.0515 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.5 K(o=-3.5,f=-6.2!) USER MOD Single : A 54 SER OG : rot -26:sc= 0.0351 USER MOD Single : A 55 SER OG : rot 88:sc= -0.916 USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= -3.32! (180deg=-4.48!) USER MOD Single : A 58 MET CE :methyl -125:sc= -7.18 (180deg=-13!) USER MOD Single : A 59 MET CE :methyl 142:sc= -7.41 (180deg=-8.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -0.498 (180deg=-0.933) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= 1.15 (180deg=-0.08) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -2.23 K(o=-2.2,f=-3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -7.47! C(o=-7.5!,f=-6.4!) USER MOD Single : A 88 MET CE :methyl -125:sc= -7.7! (180deg=-12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.2!) USER MOD Single : A 93 ASN : amide:sc= -1.69 K(o=-1.7,f=-4.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= -0.356 (180deg=-1.47!) USER MOD Single : A 102 MET CE :methyl -164:sc= -0.918 (180deg=-1.68!) USER MOD Single : A 103 THR OG1 : rot 177:sc= -1.05! USER MOD Single : A 105 GLN : amide:sc= -5.56! K(o=-5.6!,f=-2.8) USER MOD Single : A 106 GLN : amide:sc= -0.0914 K(o=-0.091,f=-1.3!) USER MOD Single : A 109 SER OG : rot -160:sc= 1.36 USER MOD Single : A 111 TYR OH : rot 110:sc= -3.43! USER MOD Single : A 112 LYS NZ :NH3+ -149:sc= -1.74 (180deg=-4.04!) USER MOD Single : B 666 SER OG : rot 180:sc= 0 USER MOD Single : B 675 THR OG1 : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 677 SER OG : rot 180:sc= 0 USER MOD Single : B 678 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 680 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.826 -16.394 -7.266 1.00 0.00 N ATOM 2 CA PRO A 1 -6.551 -15.826 -6.098 1.00 0.00 C ATOM 3 C PRO A 1 -5.667 -14.888 -5.283 1.00 0.00 C ATOM 4 O PRO A 1 -6.150 -13.934 -4.671 1.00 0.00 O ATOM 5 CB PRO A 1 -7.019 -16.997 -5.238 1.00 0.00 C ATOM 6 CG PRO A 1 -6.572 -18.213 -5.984 1.00 0.00 C ATOM 7 CD PRO A 1 -5.458 -17.769 -6.903 1.00 0.00 C ATOM 0 H2 PRO A 1 -4.996 -15.841 -7.481 1.00 0.00 H new ATOM 0 H3 PRO A 1 -6.415 -16.384 -8.098 1.00 0.00 H new ATOM 0 HA PRO A 1 -7.397 -15.232 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -6.578 -16.959 -4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.101 -16.987 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -6.223 -18.983 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -7.396 -18.643 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -4.490 -17.805 -6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.387 -18.409 -7.783 1.00 0.00 H new ATOM 17 N SER A 2 -4.373 -15.167 -5.281 1.00 0.00 N ATOM 18 CA SER A 2 -3.412 -14.355 -4.545 1.00 0.00 C ATOM 19 C SER A 2 -2.940 -13.173 -5.387 1.00 0.00 C ATOM 20 O SER A 2 -2.740 -12.072 -4.874 1.00 0.00 O ATOM 21 CB SER A 2 -2.215 -15.208 -4.119 1.00 0.00 C ATOM 22 OG SER A 2 -1.389 -15.517 -5.228 1.00 0.00 O ATOM 0 H SER A 2 -3.961 -15.953 -5.783 1.00 0.00 H new ATOM 0 HA SER A 2 -3.906 -13.966 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.634 -14.675 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.568 -16.130 -3.656 1.00 0.00 H new ATOM 0 HG SER A 2 -0.631 -16.061 -4.929 1.00 0.00 H new ATOM 28 N HIS A 3 -2.772 -13.408 -6.685 1.00 0.00 N ATOM 29 CA HIS A 3 -2.329 -12.363 -7.605 1.00 0.00 C ATOM 30 C HIS A 3 -3.428 -11.325 -7.841 1.00 0.00 C ATOM 31 O HIS A 3 -3.201 -10.324 -8.516 1.00 0.00 O ATOM 32 CB HIS A 3 -1.905 -12.981 -8.938 1.00 0.00 C ATOM 33 CG HIS A 3 -0.524 -13.561 -8.915 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.101 -14.534 -9.798 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.533 -13.301 -8.110 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.155 -14.847 -9.535 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.563 -14.112 -8.517 1.00 0.00 N ATOM 0 H HIS A 3 -2.936 -14.314 -7.125 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.476 -11.858 -7.151 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.614 -13.763 -9.209 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.958 -12.219 -9.716 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.561 -12.588 -7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.747 -15.580 -10.063 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.493 -14.142 -8.100 1.00 0.00 H new ATOM 46 N SER A 4 -4.617 -11.561 -7.286 1.00 0.00 N ATOM 47 CA SER A 4 -5.726 -10.628 -7.449 1.00 0.00 C ATOM 48 C SER A 4 -6.567 -10.551 -6.179 1.00 0.00 C ATOM 49 O SER A 4 -6.542 -11.458 -5.346 1.00 0.00 O ATOM 50 CB SER A 4 -6.604 -11.029 -8.636 1.00 0.00 C ATOM 51 OG SER A 4 -6.695 -12.437 -8.753 1.00 0.00 O ATOM 0 H SER A 4 -4.834 -12.384 -6.724 1.00 0.00 H new ATOM 0 HA SER A 4 -5.304 -9.642 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.601 -10.606 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.192 -10.611 -9.554 1.00 0.00 H new ATOM 0 HG SER A 4 -7.263 -12.666 -9.518 1.00 0.00 H new ATOM 57 N GLY A 5 -7.302 -9.454 -6.038 1.00 0.00 N ATOM 58 CA GLY A 5 -8.137 -9.253 -4.870 1.00 0.00 C ATOM 59 C GLY A 5 -8.719 -7.860 -4.857 1.00 0.00 C ATOM 60 O GLY A 5 -8.052 -6.911 -5.251 1.00 0.00 O ATOM 0 H GLY A 5 -7.334 -8.695 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.942 -9.988 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.550 -9.415 -3.966 1.00 0.00 H new ATOM 64 N ALA A 6 -9.967 -7.732 -4.433 1.00 0.00 N ATOM 65 CA ALA A 6 -10.622 -6.432 -4.413 1.00 0.00 C ATOM 66 C ALA A 6 -10.314 -5.643 -3.144 1.00 0.00 C ATOM 67 O ALA A 6 -10.122 -6.213 -2.070 1.00 0.00 O ATOM 68 CB ALA A 6 -12.116 -6.609 -4.608 1.00 0.00 C ATOM 0 H ALA A 6 -10.543 -8.505 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.223 -5.842 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.603 -5.634 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.303 -7.093 -5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.517 -7.228 -3.805 1.00 0.00 H new ATOM 74 N ALA A 7 -10.253 -4.318 -3.291 1.00 0.00 N ATOM 75 CA ALA A 7 -9.950 -3.425 -2.177 1.00 0.00 C ATOM 76 C ALA A 7 -10.498 -2.019 -2.430 1.00 0.00 C ATOM 77 O ALA A 7 -10.970 -1.718 -3.527 1.00 0.00 O ATOM 78 CB ALA A 7 -8.450 -3.376 -1.949 1.00 0.00 C ATOM 0 H ALA A 7 -10.411 -3.840 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.435 -3.815 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.230 -2.708 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.084 -4.376 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.957 -3.008 -2.849 1.00 0.00 H new ATOM 84 N ILE A 8 -10.445 -1.162 -1.408 1.00 0.00 N ATOM 85 CA ILE A 8 -10.948 0.208 -1.528 1.00 0.00 C ATOM 86 C ILE A 8 -9.815 1.214 -1.716 1.00 0.00 C ATOM 87 O ILE A 8 -8.927 1.321 -0.875 1.00 0.00 O ATOM 88 CB ILE A 8 -11.756 0.641 -0.280 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.931 -0.310 0.023 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.268 2.066 -0.452 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.154 -1.399 -1.002 1.00 0.00 C ATOM 0 H ILE A 8 -10.060 -1.391 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.595 0.205 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.077 0.595 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.761 -0.775 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.843 0.280 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.834 2.358 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.424 2.743 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.913 2.118 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.001 -2.015 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.361 -0.948 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.261 -2.020 -1.073 1.00 0.00 H new ATOM 103 N PHE A 9 -9.871 1.977 -2.804 1.00 0.00 N ATOM 104 CA PHE A 9 -8.860 2.995 -3.066 1.00 0.00 C ATOM 105 C PHE A 9 -9.493 4.377 -3.198 1.00 0.00 C ATOM 106 O PHE A 9 -10.159 4.677 -4.189 1.00 0.00 O ATOM 107 CB PHE A 9 -8.067 2.674 -4.332 1.00 0.00 C ATOM 108 CG PHE A 9 -6.865 3.561 -4.518 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.016 4.918 -4.758 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.586 3.037 -4.449 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.912 5.734 -4.926 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.478 3.847 -4.616 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.642 5.196 -4.856 1.00 0.00 C ATOM 0 H PHE A 9 -10.601 1.910 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.179 2.998 -2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.741 1.634 -4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.721 2.773 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.007 5.343 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.452 1.982 -4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.043 6.790 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.486 3.425 -4.559 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.778 5.830 -4.989 1.00 0.00 H new ATOM 123 N GLU A 10 -9.262 5.216 -2.193 1.00 0.00 N ATOM 124 CA GLU A 10 -9.780 6.585 -2.177 1.00 0.00 C ATOM 125 C GLU A 10 -11.300 6.617 -2.056 1.00 0.00 C ATOM 126 O GLU A 10 -11.979 7.322 -2.804 1.00 0.00 O ATOM 127 CB GLU A 10 -9.338 7.341 -3.435 1.00 0.00 C ATOM 128 CG GLU A 10 -7.929 7.902 -3.343 1.00 0.00 C ATOM 129 CD GLU A 10 -7.545 8.717 -4.562 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.066 8.425 -5.659 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.724 9.648 -4.420 1.00 0.00 O ATOM 0 H GLU A 10 -8.713 4.970 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.366 7.077 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.398 6.670 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.034 8.159 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.848 8.526 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.222 7.081 -3.222 1.00 0.00 H new ATOM 138 N LYS A 11 -11.830 5.863 -1.097 1.00 0.00 N ATOM 139 CA LYS A 11 -13.272 5.815 -0.860 1.00 0.00 C ATOM 140 C LYS A 11 -14.011 5.027 -1.943 1.00 0.00 C ATOM 141 O LYS A 11 -15.216 4.806 -1.835 1.00 0.00 O ATOM 142 CB LYS A 11 -13.847 7.231 -0.768 1.00 0.00 C ATOM 143 CG LYS A 11 -12.997 8.181 0.061 1.00 0.00 C ATOM 144 CD LYS A 11 -13.723 9.489 0.328 1.00 0.00 C ATOM 145 CE LYS A 11 -12.770 10.563 0.827 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.720 10.616 2.313 1.00 0.00 N ATOM 0 H LYS A 11 -11.282 5.275 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.421 5.297 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.954 7.637 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.847 7.181 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.738 7.707 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.061 8.383 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.210 9.829 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.508 9.326 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.770 10.371 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.082 11.533 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.059 11.361 2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.668 10.825 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.398 9.699 2.682 1.00 0.00 H new ATOM 160 N VAL A 12 -13.297 4.597 -2.982 1.00 0.00 N ATOM 161 CA VAL A 12 -13.914 3.835 -4.052 1.00 0.00 C ATOM 162 C VAL A 12 -13.620 2.361 -3.891 1.00 0.00 C ATOM 163 O VAL A 12 -12.567 1.974 -3.384 1.00 0.00 O ATOM 164 CB VAL A 12 -13.441 4.308 -5.441 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.733 3.266 -6.517 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.112 5.619 -5.780 1.00 0.00 C ATOM 0 H VAL A 12 -12.298 4.765 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.989 4.001 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.361 4.448 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.386 3.633 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.215 2.338 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.806 3.082 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.779 5.955 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.193 5.482 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.849 6.367 -5.032 1.00 0.00 H new ATOM 176 N SER A 13 -14.555 1.542 -4.329 1.00 0.00 N ATOM 177 CA SER A 13 -14.393 0.104 -4.235 1.00 0.00 C ATOM 178 C SER A 13 -14.234 -0.519 -5.612 1.00 0.00 C ATOM 179 O SER A 13 -15.164 -0.525 -6.418 1.00 0.00 O ATOM 180 CB SER A 13 -15.576 -0.530 -3.510 1.00 0.00 C ATOM 181 OG SER A 13 -16.096 0.340 -2.520 1.00 0.00 O ATOM 0 H SER A 13 -15.432 1.845 -4.752 1.00 0.00 H new ATOM 0 HA SER A 13 -13.487 -0.088 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.358 -0.775 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.263 -1.466 -3.047 1.00 0.00 H new ATOM 0 HG SER A 13 -16.854 -0.090 -2.072 1.00 0.00 H new ATOM 187 N GLY A 14 -13.046 -1.043 -5.869 1.00 0.00 N ATOM 188 CA GLY A 14 -12.773 -1.670 -7.145 1.00 0.00 C ATOM 189 C GLY A 14 -12.123 -3.023 -6.981 1.00 0.00 C ATOM 190 O GLY A 14 -12.574 -3.843 -6.183 1.00 0.00 O ATOM 0 H GLY A 14 -12.264 -1.045 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.704 -1.780 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.123 -1.024 -7.735 1.00 0.00 H new ATOM 194 N ILE A 15 -11.054 -3.252 -7.730 1.00 0.00 N ATOM 195 CA ILE A 15 -10.333 -4.510 -7.663 1.00 0.00 C ATOM 196 C ILE A 15 -8.836 -4.287 -7.650 1.00 0.00 C ATOM 197 O ILE A 15 -8.309 -3.520 -8.452 1.00 0.00 O ATOM 198 CB ILE A 15 -10.647 -5.427 -8.863 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.152 -5.463 -9.148 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.100 -6.830 -8.609 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.995 -5.875 -7.962 1.00 0.00 C ATOM 0 H ILE A 15 -10.668 -2.579 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.660 -4.986 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.156 -5.021 -9.748 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.471 -4.476 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.339 -6.154 -9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.327 -7.469 -9.462 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.020 -6.780 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.562 -7.244 -7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.047 -5.875 -8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.706 -6.875 -7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.840 -5.172 -7.144 1.00 0.00 H new ATOM 213 N ILE A 16 -8.148 -5.014 -6.788 1.00 0.00 N ATOM 214 CA ILE A 16 -6.705 -4.946 -6.731 1.00 0.00 C ATOM 215 C ILE A 16 -6.195 -6.162 -7.469 1.00 0.00 C ATOM 216 O ILE A 16 -6.785 -7.239 -7.371 1.00 0.00 O ATOM 217 CB ILE A 16 -6.150 -4.938 -5.279 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.671 -3.538 -4.892 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.005 -5.935 -5.123 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.023 -3.479 -3.524 1.00 0.00 C ATOM 0 H ILE A 16 -8.569 -5.658 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.370 -4.011 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.962 -5.233 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.959 -3.187 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.519 -2.853 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.636 -5.908 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.362 -6.939 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.197 -5.671 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.707 -2.457 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.740 -3.799 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.155 -4.138 -3.504 1.00 0.00 H new ATOM 232 N ALA A 17 -5.133 -6.005 -8.223 1.00 0.00 N ATOM 233 CA ALA A 17 -4.622 -7.127 -8.978 1.00 0.00 C ATOM 234 C ALA A 17 -3.127 -7.015 -9.206 1.00 0.00 C ATOM 235 O ALA A 17 -2.637 -6.069 -9.823 1.00 0.00 O ATOM 236 CB ALA A 17 -5.400 -7.263 -10.276 1.00 0.00 C ATOM 0 H ALA A 17 -4.615 -5.133 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.766 -8.039 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.014 -8.109 -10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.454 -7.426 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.290 -6.351 -10.863 1.00 0.00 H new ATOM 242 N ILE A 18 -2.414 -7.991 -8.672 1.00 0.00 N ATOM 243 CA ILE A 18 -0.967 -8.045 -8.761 1.00 0.00 C ATOM 244 C ILE A 18 -0.495 -8.669 -10.067 1.00 0.00 C ATOM 245 O ILE A 18 -1.089 -9.623 -10.569 1.00 0.00 O ATOM 246 CB ILE A 18 -0.383 -8.849 -7.587 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.874 -8.275 -6.260 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.135 -8.854 -7.644 1.00 0.00 C ATOM 249 CD1 ILE A 18 -0.340 -9.012 -5.056 1.00 0.00 C ATOM 0 H ILE A 18 -2.826 -8.772 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.613 -7.015 -8.723 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.726 -9.881 -7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.581 -7.227 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.963 -8.303 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.529 -9.428 -6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.462 -9.308 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.505 -7.830 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.728 -8.553 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.655 -10.055 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.749 -8.962 -5.052 1.00 0.00 H new ATOM 261 N ASN A 19 0.595 -8.130 -10.595 1.00 0.00 N ATOM 262 CA ASN A 19 1.183 -8.629 -11.826 1.00 0.00 C ATOM 263 C ASN A 19 2.602 -9.119 -11.555 1.00 0.00 C ATOM 264 O ASN A 19 3.555 -8.345 -11.592 1.00 0.00 O ATOM 265 CB ASN A 19 1.186 -7.530 -12.895 1.00 0.00 C ATOM 266 CG ASN A 19 1.881 -7.944 -14.182 1.00 0.00 C ATOM 267 OD1 ASN A 19 2.444 -7.106 -14.888 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.843 -9.233 -14.502 1.00 0.00 N ATOM 0 H ASN A 19 1.092 -7.340 -10.184 1.00 0.00 H new ATOM 0 HA ASN A 19 0.588 -9.464 -12.196 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.157 -7.249 -13.120 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.678 -6.644 -12.494 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.290 -9.559 -15.359 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.367 -9.896 -13.891 1.00 0.00 H new ATOM 275 N GLU A 20 2.727 -10.409 -11.262 1.00 0.00 N ATOM 276 CA GLU A 20 4.024 -11.010 -10.964 1.00 0.00 C ATOM 277 C GLU A 20 4.780 -11.378 -12.240 1.00 0.00 C ATOM 278 O GLU A 20 5.893 -11.903 -12.180 1.00 0.00 O ATOM 279 CB GLU A 20 3.842 -12.252 -10.091 1.00 0.00 C ATOM 280 CG GLU A 20 4.832 -12.338 -8.941 1.00 0.00 C ATOM 281 CD GLU A 20 6.043 -13.186 -9.276 1.00 0.00 C ATOM 282 OE1 GLU A 20 5.863 -14.266 -9.878 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.171 -12.771 -8.937 1.00 0.00 O ATOM 0 H GLU A 20 1.944 -11.061 -11.224 1.00 0.00 H new ATOM 0 HA GLU A 20 4.615 -10.270 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.829 -12.258 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.943 -13.141 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.159 -11.334 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.332 -12.755 -8.067 1.00 0.00 H new ATOM 290 N ASP A 21 4.180 -11.097 -13.393 1.00 0.00 N ATOM 291 CA ASP A 21 4.809 -11.396 -14.674 1.00 0.00 C ATOM 292 C ASP A 21 5.796 -10.300 -15.070 1.00 0.00 C ATOM 293 O ASP A 21 6.406 -10.358 -16.137 1.00 0.00 O ATOM 294 CB ASP A 21 3.745 -11.547 -15.760 1.00 0.00 C ATOM 295 CG ASP A 21 4.092 -12.628 -16.764 1.00 0.00 C ATOM 296 OD1 ASP A 21 5.082 -12.455 -17.505 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.373 -13.649 -16.810 1.00 0.00 O ATOM 0 H ASP A 21 3.260 -10.663 -13.466 1.00 0.00 H new ATOM 0 HA ASP A 21 5.356 -12.333 -14.570 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.787 -11.780 -15.296 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.624 -10.597 -16.281 1.00 0.00 H new ATOM 302 N VAL A 22 5.948 -9.300 -14.205 1.00 0.00 N ATOM 303 CA VAL A 22 6.858 -8.191 -14.471 1.00 0.00 C ATOM 304 C VAL A 22 8.114 -8.301 -13.610 1.00 0.00 C ATOM 305 O VAL A 22 8.408 -9.359 -13.056 1.00 0.00 O ATOM 306 CB VAL A 22 6.195 -6.812 -14.237 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.057 -6.051 -15.547 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.853 -6.979 -13.575 1.00 0.00 C ATOM 0 H VAL A 22 5.453 -9.236 -13.315 1.00 0.00 H new ATOM 0 HA VAL A 22 7.127 -8.260 -15.525 1.00 0.00 H new ATOM 0 HB VAL A 22 6.836 -6.231 -13.574 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.589 -5.085 -15.359 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.044 -5.897 -15.984 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.440 -6.625 -16.238 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.401 -6.000 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.205 -7.580 -14.213 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.981 -7.478 -12.614 1.00 0.00 H new ATOM 318 N SER A 23 8.844 -7.198 -13.498 1.00 0.00 N ATOM 319 CA SER A 23 10.062 -7.161 -12.702 1.00 0.00 C ATOM 320 C SER A 23 10.626 -5.742 -12.661 1.00 0.00 C ATOM 321 O SER A 23 11.231 -5.282 -13.629 1.00 0.00 O ATOM 322 CB SER A 23 11.101 -8.128 -13.274 1.00 0.00 C ATOM 323 OG SER A 23 12.416 -7.746 -12.909 1.00 0.00 O ATOM 0 H SER A 23 8.611 -6.314 -13.951 1.00 0.00 H new ATOM 0 HA SER A 23 9.821 -7.470 -11.685 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.900 -9.137 -12.913 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.016 -8.155 -14.360 1.00 0.00 H new ATOM 0 HG SER A 23 13.058 -8.382 -13.287 1.00 0.00 H new ATOM 329 N PRO A 24 10.431 -5.020 -11.541 1.00 0.00 N ATOM 330 CA PRO A 24 9.716 -5.525 -10.363 1.00 0.00 C ATOM 331 C PRO A 24 8.217 -5.677 -10.605 1.00 0.00 C ATOM 332 O PRO A 24 7.666 -5.091 -11.537 1.00 0.00 O ATOM 333 CB PRO A 24 9.969 -4.461 -9.286 1.00 0.00 C ATOM 334 CG PRO A 24 11.010 -3.546 -9.846 1.00 0.00 C ATOM 335 CD PRO A 24 10.905 -3.647 -11.338 1.00 0.00 C ATOM 0 HA PRO A 24 10.066 -6.520 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.054 -3.916 -9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.311 -4.919 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.845 -2.521 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.004 -3.835 -9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.207 -2.915 -11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.866 -3.475 -11.823 1.00 0.00 H new ATOM 343 N ALA A 25 7.565 -6.463 -9.753 1.00 0.00 N ATOM 344 CA ALA A 25 6.128 -6.691 -9.864 1.00 0.00 C ATOM 345 C ALA A 25 5.354 -5.386 -9.808 1.00 0.00 C ATOM 346 O ALA A 25 5.933 -4.310 -9.656 1.00 0.00 O ATOM 347 CB ALA A 25 5.642 -7.607 -8.754 1.00 0.00 C ATOM 0 H ALA A 25 8.010 -6.953 -8.977 1.00 0.00 H new ATOM 0 HA ALA A 25 5.950 -7.164 -10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.568 -7.764 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.157 -8.565 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.852 -7.150 -7.787 1.00 0.00 H new ATOM 353 N GLU A 26 4.036 -5.492 -9.914 1.00 0.00 N ATOM 354 CA GLU A 26 3.177 -4.321 -9.856 1.00 0.00 C ATOM 355 C GLU A 26 1.727 -4.714 -9.596 1.00 0.00 C ATOM 356 O GLU A 26 1.208 -5.646 -10.211 1.00 0.00 O ATOM 357 CB GLU A 26 3.277 -3.519 -11.155 1.00 0.00 C ATOM 358 CG GLU A 26 3.065 -4.358 -12.405 1.00 0.00 C ATOM 359 CD GLU A 26 1.692 -4.154 -13.017 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.702 -4.638 -12.429 1.00 0.00 O ATOM 361 OE2 GLU A 26 1.608 -3.513 -14.085 1.00 0.00 O ATOM 0 H GLU A 26 3.541 -6.375 -10.040 1.00 0.00 H new ATOM 0 HA GLU A 26 3.517 -3.699 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.538 -2.718 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.258 -3.047 -11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.828 -4.106 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.196 -5.412 -12.158 1.00 0.00 H new ATOM 368 N LEU A 27 1.071 -3.986 -8.699 1.00 0.00 N ATOM 369 CA LEU A 27 -0.326 -4.251 -8.382 1.00 0.00 C ATOM 370 C LEU A 27 -1.193 -3.140 -8.970 1.00 0.00 C ATOM 371 O LEU A 27 -0.819 -1.972 -8.931 1.00 0.00 O ATOM 372 CB LEU A 27 -0.528 -4.387 -6.856 1.00 0.00 C ATOM 373 CG LEU A 27 -0.852 -3.100 -6.086 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.196 -2.513 -6.492 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.845 -3.379 -4.598 1.00 0.00 C ATOM 0 H LEU A 27 1.483 -3.210 -8.180 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.627 -5.200 -8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.334 -5.100 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.377 -4.819 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.084 -2.367 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.383 -1.603 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.184 -2.278 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.985 -3.237 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.076 -2.462 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.594 -4.136 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.140 -3.739 -4.300 1.00 0.00 H new ATOM 387 N THR A 28 -2.332 -3.508 -9.545 1.00 0.00 N ATOM 388 CA THR A 28 -3.213 -2.525 -10.170 1.00 0.00 C ATOM 389 C THR A 28 -4.621 -2.547 -9.586 1.00 0.00 C ATOM 390 O THR A 28 -5.372 -3.502 -9.787 1.00 0.00 O ATOM 391 CB THR A 28 -3.284 -2.783 -11.675 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.055 -3.302 -12.152 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.601 -1.542 -12.481 1.00 0.00 C ATOM 0 H THR A 28 -2.666 -4.470 -9.592 1.00 0.00 H new ATOM 0 HA THR A 28 -2.791 -1.540 -9.970 1.00 0.00 H new ATOM 0 HB THR A 28 -4.095 -3.499 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.120 -3.462 -13.117 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.636 -1.795 -13.541 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.567 -1.144 -12.171 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.828 -0.792 -12.313 1.00 0.00 H new ATOM 401 N TRP A 29 -4.985 -1.473 -8.889 1.00 0.00 N ATOM 402 CA TRP A 29 -6.306 -1.355 -8.314 1.00 0.00 C ATOM 403 C TRP A 29 -7.228 -0.647 -9.296 1.00 0.00 C ATOM 404 O TRP A 29 -7.073 0.542 -9.548 1.00 0.00 O ATOM 405 CB TRP A 29 -6.260 -0.556 -7.014 1.00 0.00 C ATOM 406 CG TRP A 29 -7.623 -0.278 -6.469 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.322 -1.072 -5.621 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.460 0.849 -6.754 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.546 -0.509 -5.343 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.654 0.673 -6.028 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.315 1.992 -7.547 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.696 1.595 -6.073 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.351 2.907 -7.592 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.528 2.705 -6.859 1.00 0.00 C ATOM 0 H TRP A 29 -4.376 -0.674 -8.713 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.679 -2.357 -8.102 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.680 -1.106 -6.273 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.742 0.387 -7.188 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.969 -2.011 -5.221 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.256 -0.906 -4.728 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.411 2.157 -8.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.604 1.441 -5.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.251 3.792 -8.202 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.319 3.439 -6.915 1.00 0.00 H new ATOM 425 N ARG A 30 -8.181 -1.379 -9.847 1.00 0.00 N ATOM 426 CA ARG A 30 -9.121 -0.801 -10.803 1.00 0.00 C ATOM 427 C ARG A 30 -10.527 -0.750 -10.220 1.00 0.00 C ATOM 428 O ARG A 30 -11.011 -1.730 -9.663 1.00 0.00 O ATOM 429 CB ARG A 30 -9.121 -1.607 -12.102 1.00 0.00 C ATOM 430 CG ARG A 30 -9.562 -3.047 -11.919 1.00 0.00 C ATOM 431 CD ARG A 30 -8.991 -3.950 -13.000 1.00 0.00 C ATOM 432 NE ARG A 30 -9.140 -3.371 -14.333 1.00 0.00 N ATOM 433 CZ ARG A 30 -8.437 -3.762 -15.394 1.00 0.00 C ATOM 434 NH1 ARG A 30 -7.537 -4.731 -15.282 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.635 -3.183 -16.570 1.00 0.00 N ATOM 0 H ARG A 30 -8.327 -2.370 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.801 0.218 -11.018 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.780 -1.122 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.118 -1.594 -12.529 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.243 -3.404 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.651 -3.100 -11.938 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.935 -4.132 -12.800 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.493 -4.917 -12.967 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.823 -2.623 -14.458 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.381 -5.180 -14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.001 -5.026 -16.098 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.326 -2.438 -16.662 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.097 -3.482 -17.383 1.00 0.00 H new ATOM 449 N SER A 31 -11.185 0.398 -10.358 1.00 0.00 N ATOM 450 CA SER A 31 -12.539 0.565 -9.839 1.00 0.00 C ATOM 451 C SER A 31 -13.435 -0.585 -10.290 1.00 0.00 C ATOM 452 O SER A 31 -13.113 -1.293 -11.245 1.00 0.00 O ATOM 453 CB SER A 31 -13.125 1.899 -10.310 1.00 0.00 C ATOM 454 OG SER A 31 -14.533 1.921 -10.157 1.00 0.00 O ATOM 0 H SER A 31 -10.805 1.223 -10.823 1.00 0.00 H new ATOM 0 HA SER A 31 -12.491 0.561 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.682 2.716 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.867 2.064 -11.356 1.00 0.00 H new ATOM 0 HG SER A 31 -14.766 2.412 -9.341 1.00 0.00 H new ATOM 460 N THR A 32 -14.557 -0.765 -9.606 1.00 0.00 N ATOM 461 CA THR A 32 -15.490 -1.828 -9.947 1.00 0.00 C ATOM 462 C THR A 32 -16.264 -1.450 -11.196 1.00 0.00 C ATOM 463 O THR A 32 -16.546 -2.288 -12.052 1.00 0.00 O ATOM 464 CB THR A 32 -16.450 -2.089 -8.784 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.754 -2.599 -7.661 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.548 -3.070 -9.124 1.00 0.00 C ATOM 0 H THR A 32 -14.842 -0.189 -8.814 1.00 0.00 H new ATOM 0 HA THR A 32 -14.929 -2.743 -10.140 1.00 0.00 H new ATOM 0 HB THR A 32 -16.902 -1.122 -8.563 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.841 -1.974 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.193 -3.210 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.137 -2.683 -9.955 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.107 -4.026 -9.406 1.00 0.00 H new ATOM 474 N ASP A 33 -16.593 -0.174 -11.286 1.00 0.00 N ATOM 475 CA ASP A 33 -17.327 0.350 -12.424 1.00 0.00 C ATOM 476 C ASP A 33 -16.388 0.667 -13.586 1.00 0.00 C ATOM 477 O ASP A 33 -16.830 0.839 -14.722 1.00 0.00 O ATOM 478 CB ASP A 33 -18.105 1.605 -12.023 1.00 0.00 C ATOM 479 CG ASP A 33 -19.029 2.089 -13.123 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.534 1.242 -13.890 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.248 3.315 -13.217 1.00 0.00 O ATOM 0 H ASP A 33 -16.361 0.523 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.030 -0.416 -12.751 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.690 1.396 -11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.403 2.398 -11.767 1.00 0.00 H new ATOM 486 N GLY A 34 -15.091 0.745 -13.295 1.00 0.00 N ATOM 487 CA GLY A 34 -14.117 1.043 -14.328 1.00 0.00 C ATOM 488 C GLY A 34 -13.932 2.532 -14.531 1.00 0.00 C ATOM 489 O GLY A 34 -13.703 2.990 -15.651 1.00 0.00 O ATOM 0 H GLY A 34 -14.699 0.607 -12.363 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.160 0.593 -14.063 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.434 0.587 -15.266 1.00 0.00 H new ATOM 493 N ASP A 35 -14.036 3.291 -13.446 1.00 0.00 N ATOM 494 CA ASP A 35 -13.884 4.740 -13.509 1.00 0.00 C ATOM 495 C ASP A 35 -12.418 5.150 -13.420 1.00 0.00 C ATOM 496 O ASP A 35 -12.030 6.209 -13.914 1.00 0.00 O ATOM 497 CB ASP A 35 -14.683 5.408 -12.388 1.00 0.00 C ATOM 498 CG ASP A 35 -14.372 4.820 -11.027 1.00 0.00 C ATOM 499 OD1 ASP A 35 -13.176 4.647 -10.713 1.00 0.00 O ATOM 500 OD2 ASP A 35 -15.326 4.531 -10.274 1.00 0.00 O ATOM 0 H ASP A 35 -14.225 2.927 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.271 5.073 -14.472 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.466 6.476 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.748 5.301 -12.592 1.00 0.00 H new ATOM 505 N LYS A 36 -11.609 4.311 -12.786 1.00 0.00 N ATOM 506 CA LYS A 36 -10.187 4.597 -12.634 1.00 0.00 C ATOM 507 C LYS A 36 -9.442 3.412 -12.043 1.00 0.00 C ATOM 508 O LYS A 36 -10.040 2.500 -11.473 1.00 0.00 O ATOM 509 CB LYS A 36 -9.985 5.837 -11.760 1.00 0.00 C ATOM 510 CG LYS A 36 -10.358 5.623 -10.299 1.00 0.00 C ATOM 511 CD LYS A 36 -11.446 6.587 -9.850 1.00 0.00 C ATOM 512 CE LYS A 36 -10.857 7.888 -9.328 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.779 8.927 -10.390 1.00 0.00 N ATOM 0 H LYS A 36 -11.911 3.430 -12.370 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.778 4.789 -13.626 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.941 6.145 -11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.582 6.655 -12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.699 4.597 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.474 5.755 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.114 6.798 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.048 6.120 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.466 8.257 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.860 7.701 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.372 9.798 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.177 8.585 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.733 9.124 -10.753 1.00 0.00 H new ATOM 527 N VAL A 37 -8.129 3.434 -12.210 1.00 0.00 N ATOM 528 CA VAL A 37 -7.272 2.369 -11.730 1.00 0.00 C ATOM 529 C VAL A 37 -5.924 2.923 -11.268 1.00 0.00 C ATOM 530 O VAL A 37 -5.364 3.822 -11.898 1.00 0.00 O ATOM 531 CB VAL A 37 -7.057 1.330 -12.847 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.906 2.028 -14.193 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.860 0.427 -12.552 1.00 0.00 C ATOM 0 H VAL A 37 -7.632 4.190 -12.681 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.757 1.891 -10.879 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.937 0.688 -12.888 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.755 1.283 -14.974 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.807 2.602 -14.408 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.048 2.699 -14.161 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.739 -0.293 -13.361 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.958 1.034 -12.469 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.027 -0.105 -11.615 1.00 0.00 H new ATOM 543 N HIS A 38 -5.408 2.381 -10.171 1.00 0.00 N ATOM 544 CA HIS A 38 -4.128 2.819 -9.631 1.00 0.00 C ATOM 545 C HIS A 38 -3.105 1.688 -9.678 1.00 0.00 C ATOM 546 O HIS A 38 -3.311 0.627 -9.090 1.00 0.00 O ATOM 547 CB HIS A 38 -4.297 3.308 -8.192 1.00 0.00 C ATOM 548 CG HIS A 38 -4.675 4.753 -8.092 1.00 0.00 C ATOM 549 ND1 HIS A 38 -3.759 5.779 -8.185 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.880 5.344 -7.905 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.383 6.938 -8.059 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.670 6.701 -7.890 1.00 0.00 N ATOM 0 H HIS A 38 -5.858 1.637 -9.638 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.765 3.642 -10.246 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.061 2.706 -7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.365 3.146 -7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.829 4.841 -7.789 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.918 7.913 -8.089 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.392 7.411 -7.768 1.00 0.00 H new ATOM 561 N THR A 39 -2.003 1.920 -10.385 1.00 0.00 N ATOM 562 CA THR A 39 -0.952 0.918 -10.508 1.00 0.00 C ATOM 563 C THR A 39 0.157 1.166 -9.489 1.00 0.00 C ATOM 564 O THR A 39 0.589 2.301 -9.291 1.00 0.00 O ATOM 565 CB THR A 39 -0.373 0.922 -11.925 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.263 1.554 -12.828 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.086 -0.465 -12.456 1.00 0.00 C ATOM 0 H THR A 39 -1.816 2.792 -10.880 1.00 0.00 H new ATOM 0 HA THR A 39 -1.392 -0.059 -10.309 1.00 0.00 H new ATOM 0 HB THR A 39 0.568 1.467 -11.853 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.875 1.548 -13.728 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.322 -0.391 -13.464 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.636 -0.961 -11.807 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.009 -1.044 -12.480 1.00 0.00 H new ATOM 575 N VAL A 40 0.606 0.096 -8.842 1.00 0.00 N ATOM 576 CA VAL A 40 1.654 0.192 -7.837 1.00 0.00 C ATOM 577 C VAL A 40 2.842 -0.695 -8.188 1.00 0.00 C ATOM 578 O VAL A 40 2.672 -1.825 -8.639 1.00 0.00 O ATOM 579 CB VAL A 40 1.119 -0.214 -6.442 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.929 -1.356 -5.835 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.113 0.975 -5.503 1.00 0.00 C ATOM 0 H VAL A 40 0.258 -0.850 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 40 1.981 1.232 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 40 0.096 -0.564 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.522 -1.611 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.876 -2.227 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.969 -1.047 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.733 0.667 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.128 1.357 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.473 1.758 -5.911 1.00 0.00 H new ATOM 591 N VAL A 41 4.039 -0.188 -7.936 1.00 0.00 N ATOM 592 CA VAL A 41 5.254 -0.948 -8.179 1.00 0.00 C ATOM 593 C VAL A 41 5.803 -1.449 -6.851 1.00 0.00 C ATOM 594 O VAL A 41 6.508 -0.722 -6.149 1.00 0.00 O ATOM 595 CB VAL A 41 6.329 -0.108 -8.895 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.501 -0.984 -9.313 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.733 0.608 -10.097 1.00 0.00 C ATOM 0 H VAL A 41 4.194 0.748 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 41 5.002 -1.785 -8.830 1.00 0.00 H new ATOM 0 HB VAL A 41 6.699 0.645 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.250 -0.373 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.943 -1.446 -8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.150 -1.762 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.507 1.196 -10.590 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.334 -0.126 -10.797 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.931 1.268 -9.767 1.00 0.00 H new ATOM 607 N LEU A 42 5.458 -2.689 -6.499 1.00 0.00 N ATOM 608 CA LEU A 42 5.892 -3.293 -5.239 1.00 0.00 C ATOM 609 C LEU A 42 7.360 -2.984 -4.926 1.00 0.00 C ATOM 610 O LEU A 42 7.771 -3.004 -3.766 1.00 0.00 O ATOM 611 CB LEU A 42 5.672 -4.807 -5.281 1.00 0.00 C ATOM 612 CG LEU A 42 4.217 -5.288 -5.152 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.805 -5.403 -3.697 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.254 -4.370 -5.876 1.00 0.00 C ATOM 0 H LEU A 42 4.875 -3.298 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 42 5.289 -2.857 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.075 -5.185 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.254 -5.260 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 42 4.172 -6.273 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.772 -5.745 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.454 -6.118 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.893 -4.429 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.237 -4.745 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.321 -3.367 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.510 -4.336 -6.935 1.00 0.00 H new ATOM 626 N SER A 43 8.144 -2.684 -5.961 1.00 0.00 N ATOM 627 CA SER A 43 9.553 -2.359 -5.783 1.00 0.00 C ATOM 628 C SER A 43 9.689 -0.940 -5.261 1.00 0.00 C ATOM 629 O SER A 43 10.391 -0.692 -4.280 1.00 0.00 O ATOM 630 CB SER A 43 10.314 -2.514 -7.102 1.00 0.00 C ATOM 631 OG SER A 43 11.345 -1.548 -7.223 1.00 0.00 O ATOM 0 H SER A 43 7.825 -2.660 -6.929 1.00 0.00 H new ATOM 0 HA SER A 43 9.984 -3.050 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.743 -3.515 -7.161 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.621 -2.415 -7.937 1.00 0.00 H new ATOM 0 HG SER A 43 12.078 -1.917 -7.759 1.00 0.00 H new ATOM 637 N THR A 44 8.992 -0.012 -5.907 1.00 0.00 N ATOM 638 CA THR A 44 9.013 1.368 -5.491 1.00 0.00 C ATOM 639 C THR A 44 8.390 1.484 -4.108 1.00 0.00 C ATOM 640 O THR A 44 8.722 2.385 -3.338 1.00 0.00 O ATOM 641 CB THR A 44 8.248 2.223 -6.495 1.00 0.00 C ATOM 642 OG1 THR A 44 6.862 1.939 -6.444 1.00 0.00 O ATOM 643 CG2 THR A 44 8.709 2.028 -7.923 1.00 0.00 C ATOM 0 H THR A 44 8.407 -0.200 -6.721 1.00 0.00 H new ATOM 0 HA THR A 44 10.042 1.724 -5.449 1.00 0.00 H new ATOM 0 HB THR A 44 8.448 3.255 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.729 1.005 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.123 2.666 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.763 2.292 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.573 0.985 -8.210 1.00 0.00 H new ATOM 651 N ILE A 45 7.496 0.546 -3.793 1.00 0.00 N ATOM 652 CA ILE A 45 6.845 0.529 -2.492 1.00 0.00 C ATOM 653 C ILE A 45 7.884 0.476 -1.371 1.00 0.00 C ATOM 654 O ILE A 45 8.536 -0.547 -1.167 1.00 0.00 O ATOM 655 CB ILE A 45 5.902 -0.683 -2.350 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.821 -0.653 -3.435 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.276 -0.712 -0.963 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.904 0.547 -3.356 1.00 0.00 C ATOM 0 H ILE A 45 7.210 -0.206 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 45 6.261 1.446 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 45 6.487 -1.594 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.302 -0.666 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.222 -1.561 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.614 -1.574 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.061 -0.785 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.704 0.202 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.167 0.495 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.393 0.552 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.490 1.460 -3.461 1.00 0.00 H new ATOM 670 N ASP A 46 8.035 1.582 -0.649 1.00 0.00 N ATOM 671 CA ASP A 46 8.994 1.656 0.450 1.00 0.00 C ATOM 672 C ASP A 46 8.781 0.514 1.440 1.00 0.00 C ATOM 673 O ASP A 46 9.727 0.041 2.070 1.00 0.00 O ATOM 674 CB ASP A 46 8.872 2.999 1.173 1.00 0.00 C ATOM 675 CG ASP A 46 10.219 3.553 1.599 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.253 3.039 1.122 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.239 4.502 2.411 1.00 0.00 O ATOM 0 H ASP A 46 7.506 2.440 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 46 9.995 1.566 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.378 3.717 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.238 2.879 2.051 1.00 0.00 H new ATOM 682 N LYS A 47 7.534 0.074 1.570 1.00 0.00 N ATOM 683 CA LYS A 47 7.197 -1.014 2.480 1.00 0.00 C ATOM 684 C LYS A 47 5.744 -1.441 2.302 1.00 0.00 C ATOM 685 O LYS A 47 4.936 -0.715 1.724 1.00 0.00 O ATOM 686 CB LYS A 47 7.452 -0.596 3.932 1.00 0.00 C ATOM 687 CG LYS A 47 6.470 0.437 4.460 1.00 0.00 C ATOM 688 CD LYS A 47 6.512 0.522 5.979 1.00 0.00 C ATOM 689 CE LYS A 47 7.138 1.826 6.448 1.00 0.00 C ATOM 690 NZ LYS A 47 7.324 1.853 7.925 1.00 0.00 N ATOM 0 H LYS A 47 6.739 0.455 1.056 1.00 0.00 H new ATOM 0 HA LYS A 47 7.836 -1.864 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.409 -1.481 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.463 -0.195 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.703 1.413 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.461 0.180 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.501 0.439 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.081 -0.319 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.102 1.963 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.506 2.661 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.753 2.758 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.401 1.748 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.948 1.071 8.211 1.00 0.00 H new ATOM 704 N LEU A 48 5.419 -2.625 2.805 1.00 0.00 N ATOM 705 CA LEU A 48 4.066 -3.157 2.707 1.00 0.00 C ATOM 706 C LEU A 48 3.385 -3.151 4.075 1.00 0.00 C ATOM 707 O LEU A 48 3.827 -3.837 4.997 1.00 0.00 O ATOM 708 CB LEU A 48 4.105 -4.581 2.156 1.00 0.00 C ATOM 709 CG LEU A 48 2.750 -5.282 2.077 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.014 -4.869 0.813 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.930 -6.790 2.128 1.00 0.00 C ATOM 0 H LEU A 48 6.077 -3.237 3.287 1.00 0.00 H new ATOM 0 HA LEU A 48 3.494 -2.523 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.543 -4.556 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.770 -5.178 2.781 1.00 0.00 H new ATOM 0 HG LEU A 48 2.150 -4.981 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.050 -5.377 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.856 -3.791 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.607 -5.143 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.955 -7.275 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.545 -7.112 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.419 -7.067 3.062 1.00 0.00 H new ATOM 723 N GLN A 49 2.311 -2.378 4.206 1.00 0.00 N ATOM 724 CA GLN A 49 1.581 -2.293 5.466 1.00 0.00 C ATOM 725 C GLN A 49 0.203 -2.925 5.331 1.00 0.00 C ATOM 726 O GLN A 49 -0.406 -2.872 4.269 1.00 0.00 O ATOM 727 CB GLN A 49 1.436 -0.834 5.894 1.00 0.00 C ATOM 728 CG GLN A 49 2.720 -0.032 5.760 1.00 0.00 C ATOM 729 CD GLN A 49 3.110 0.668 7.048 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.273 1.888 7.079 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.262 -0.102 8.118 1.00 0.00 N ATOM 0 H GLN A 49 1.928 -1.802 3.456 1.00 0.00 H new ATOM 0 HA GLN A 49 2.145 -2.836 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.658 -0.363 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.102 -0.799 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.528 -0.696 5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.600 0.710 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.117 -1.109 8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.524 0.313 9.012 1.00 0.00 H new ATOM 740 N ALA A 50 -0.281 -3.532 6.406 1.00 0.00 N ATOM 741 CA ALA A 50 -1.584 -4.174 6.387 1.00 0.00 C ATOM 742 C ALA A 50 -2.160 -4.292 7.797 1.00 0.00 C ATOM 743 O ALA A 50 -1.416 -4.429 8.768 1.00 0.00 O ATOM 744 CB ALA A 50 -1.461 -5.533 5.732 1.00 0.00 C ATOM 0 H ALA A 50 0.209 -3.592 7.299 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.275 -3.561 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.437 -6.019 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.098 -5.413 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.760 -6.147 6.297 1.00 0.00 H new ATOM 750 N THR A 51 -3.486 -4.235 7.908 1.00 0.00 N ATOM 751 CA THR A 51 -4.143 -4.333 9.207 1.00 0.00 C ATOM 752 C THR A 51 -3.828 -5.666 9.884 1.00 0.00 C ATOM 753 O THR A 51 -3.873 -6.720 9.248 1.00 0.00 O ATOM 754 CB THR A 51 -5.656 -4.176 9.051 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.158 -5.080 8.084 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.073 -2.781 8.637 1.00 0.00 C ATOM 0 H THR A 51 -4.122 -4.122 7.119 1.00 0.00 H new ATOM 0 HA THR A 51 -3.762 -3.529 9.836 1.00 0.00 H new ATOM 0 HB THR A 51 -6.071 -4.384 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.495 -5.884 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.158 -2.738 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.745 -2.065 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.617 -2.534 7.678 1.00 0.00 H new ATOM 764 N PRO A 52 -3.505 -5.640 11.190 1.00 0.00 N ATOM 765 CA PRO A 52 -3.184 -6.853 11.948 1.00 0.00 C ATOM 766 C PRO A 52 -4.426 -7.675 12.279 1.00 0.00 C ATOM 767 O PRO A 52 -5.550 -7.178 12.198 1.00 0.00 O ATOM 768 CB PRO A 52 -2.549 -6.307 13.227 1.00 0.00 C ATOM 769 CG PRO A 52 -3.177 -4.970 13.413 1.00 0.00 C ATOM 770 CD PRO A 52 -3.427 -4.428 12.031 1.00 0.00 C ATOM 0 HA PRO A 52 -2.538 -7.528 11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.745 -6.960 14.078 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.466 -6.227 13.130 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.108 -5.052 13.973 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.522 -4.307 13.978 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.350 -3.850 11.988 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.622 -3.767 11.708 1.00 0.00 H new ATOM 778 N ALA A 53 -4.218 -8.934 12.651 1.00 0.00 N ATOM 779 CA ALA A 53 -5.321 -9.824 12.992 1.00 0.00 C ATOM 780 C ALA A 53 -6.195 -9.227 14.093 1.00 0.00 C ATOM 781 O ALA A 53 -7.398 -9.481 14.150 1.00 0.00 O ATOM 782 CB ALA A 53 -4.788 -11.183 13.421 1.00 0.00 C ATOM 0 H ALA A 53 -3.294 -9.361 12.724 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.939 -9.949 12.103 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.622 -11.838 13.673 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.215 -11.623 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.145 -11.063 14.293 1.00 0.00 H new ATOM 788 N SER A 54 -5.581 -8.433 14.964 1.00 0.00 N ATOM 789 CA SER A 54 -6.304 -7.799 16.063 1.00 0.00 C ATOM 790 C SER A 54 -7.235 -6.701 15.553 1.00 0.00 C ATOM 791 O SER A 54 -8.131 -6.254 16.269 1.00 0.00 O ATOM 792 CB SER A 54 -5.319 -7.216 17.077 1.00 0.00 C ATOM 793 OG SER A 54 -5.980 -6.841 18.273 1.00 0.00 O ATOM 0 H SER A 54 -4.586 -8.213 14.931 1.00 0.00 H new ATOM 0 HA SER A 54 -6.911 -8.563 16.549 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.545 -7.950 17.300 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.820 -6.348 16.646 1.00 0.00 H new ATOM 0 HG SER A 54 -6.917 -6.632 18.077 1.00 0.00 H new ATOM 799 N SER A 55 -7.020 -6.269 14.313 1.00 0.00 N ATOM 800 CA SER A 55 -7.840 -5.226 13.712 1.00 0.00 C ATOM 801 C SER A 55 -9.238 -5.738 13.405 1.00 0.00 C ATOM 802 O SER A 55 -9.408 -6.705 12.662 1.00 0.00 O ATOM 803 CB SER A 55 -7.183 -4.712 12.431 1.00 0.00 C ATOM 804 OG SER A 55 -7.313 -5.653 11.380 1.00 0.00 O ATOM 0 H SER A 55 -6.283 -6.627 13.706 1.00 0.00 H new ATOM 0 HA SER A 55 -7.923 -4.408 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.641 -3.768 12.137 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.128 -4.511 12.615 1.00 0.00 H new ATOM 0 HG SER A 55 -8.158 -5.501 10.907 1.00 0.00 H new ATOM 810 N GLU A 56 -10.239 -5.071 13.968 1.00 0.00 N ATOM 811 CA GLU A 56 -11.626 -5.449 13.739 1.00 0.00 C ATOM 812 C GLU A 56 -11.968 -5.350 12.255 1.00 0.00 C ATOM 813 O GLU A 56 -12.986 -5.876 11.807 1.00 0.00 O ATOM 814 CB GLU A 56 -12.563 -4.554 14.553 1.00 0.00 C ATOM 815 CG GLU A 56 -14.034 -4.897 14.382 1.00 0.00 C ATOM 816 CD GLU A 56 -14.946 -3.942 15.127 1.00 0.00 C ATOM 817 OE1 GLU A 56 -15.081 -4.091 16.360 1.00 0.00 O ATOM 818 OE2 GLU A 56 -15.525 -3.046 14.478 1.00 0.00 O ATOM 0 H GLU A 56 -10.115 -4.268 14.585 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.758 -6.482 14.061 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.301 -4.632 15.608 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.404 -3.516 14.261 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.286 -4.881 13.322 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.210 -5.913 14.737 1.00 0.00 H new ATOM 825 N LYS A 57 -11.106 -4.675 11.494 1.00 0.00 N ATOM 826 CA LYS A 57 -11.318 -4.513 10.058 1.00 0.00 C ATOM 827 C LYS A 57 -10.158 -5.111 9.266 1.00 0.00 C ATOM 828 O LYS A 57 -9.242 -5.698 9.841 1.00 0.00 O ATOM 829 CB LYS A 57 -11.504 -3.037 9.700 1.00 0.00 C ATOM 830 CG LYS A 57 -10.623 -2.103 10.506 1.00 0.00 C ATOM 831 CD LYS A 57 -9.160 -2.479 10.369 1.00 0.00 C ATOM 832 CE LYS A 57 -8.269 -1.564 11.193 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.733 -1.457 12.604 1.00 0.00 N ATOM 0 H LYS A 57 -10.257 -4.233 11.848 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.228 -5.050 9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.292 -2.899 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.548 -2.763 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.771 -1.077 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.914 -2.139 11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.017 -3.511 10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.867 -2.426 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.247 -1.941 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.251 -0.572 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.509 -0.511 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.761 -1.610 12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.254 -2.176 13.183 1.00 0.00 H new ATOM 847 N MET A 58 -10.205 -4.963 7.947 1.00 0.00 N ATOM 848 CA MET A 58 -9.158 -5.497 7.084 1.00 0.00 C ATOM 849 C MET A 58 -8.735 -4.475 6.034 1.00 0.00 C ATOM 850 O MET A 58 -9.551 -4.022 5.231 1.00 0.00 O ATOM 851 CB MET A 58 -9.644 -6.775 6.401 1.00 0.00 C ATOM 852 CG MET A 58 -10.137 -7.830 7.377 1.00 0.00 C ATOM 853 SD MET A 58 -11.902 -7.693 7.717 1.00 0.00 S ATOM 854 CE MET A 58 -12.581 -7.885 6.071 1.00 0.00 C ATOM 0 H MET A 58 -10.955 -4.479 7.453 1.00 0.00 H new ATOM 0 HA MET A 58 -8.292 -5.726 7.705 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.449 -6.525 5.710 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.831 -7.192 5.806 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.925 -8.820 6.973 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.583 -7.741 8.312 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.221 -7.033 5.840 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.769 -7.936 5.346 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.167 -8.803 6.024 1.00 0.00 H new ATOM 864 N MET A 59 -7.455 -4.110 6.046 1.00 0.00 N ATOM 865 CA MET A 59 -6.934 -3.136 5.096 1.00 0.00 C ATOM 866 C MET A 59 -5.466 -3.390 4.776 1.00 0.00 C ATOM 867 O MET A 59 -4.679 -3.748 5.652 1.00 0.00 O ATOM 868 CB MET A 59 -7.097 -1.724 5.651 1.00 0.00 C ATOM 869 CG MET A 59 -8.514 -1.410 6.102 1.00 0.00 C ATOM 870 SD MET A 59 -8.699 0.290 6.670 1.00 0.00 S ATOM 871 CE MET A 59 -8.160 0.129 8.368 1.00 0.00 C ATOM 0 H MET A 59 -6.763 -4.474 6.701 1.00 0.00 H new ATOM 0 HA MET A 59 -7.505 -3.239 4.173 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.418 -1.593 6.494 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.799 -1.005 4.887 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.203 -1.590 5.277 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.795 -2.090 6.906 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.586 1.011 8.653 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.030 0.037 9.019 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.536 -0.759 8.469 1.00 0.00 H new ATOM 881 N LEU A 60 -5.103 -3.177 3.515 1.00 0.00 N ATOM 882 CA LEU A 60 -3.722 -3.356 3.071 1.00 0.00 C ATOM 883 C LEU A 60 -3.191 -2.059 2.470 1.00 0.00 C ATOM 884 O LEU A 60 -3.931 -1.321 1.822 1.00 0.00 O ATOM 885 CB LEU A 60 -3.621 -4.492 2.047 1.00 0.00 C ATOM 886 CG LEU A 60 -4.134 -5.862 2.510 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.688 -6.939 1.542 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.640 -6.201 3.907 1.00 0.00 C ATOM 0 H LEU A 60 -5.746 -2.880 2.781 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.116 -3.621 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.176 -4.201 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.577 -4.598 1.753 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.223 -5.815 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.057 -7.907 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.086 -6.725 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.599 -6.961 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.023 -7.178 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.550 -6.222 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.992 -5.446 4.610 1.00 0.00 H new ATOM 900 N ARG A 61 -1.912 -1.771 2.701 1.00 0.00 N ATOM 901 CA ARG A 61 -1.308 -0.543 2.191 1.00 0.00 C ATOM 902 C ARG A 61 0.140 -0.749 1.757 1.00 0.00 C ATOM 903 O ARG A 61 0.845 -1.609 2.285 1.00 0.00 O ATOM 904 CB ARG A 61 -1.355 0.538 3.271 1.00 0.00 C ATOM 905 CG ARG A 61 -0.861 1.898 2.804 1.00 0.00 C ATOM 906 CD ARG A 61 -0.900 2.922 3.927 1.00 0.00 C ATOM 907 NE ARG A 61 -0.234 2.442 5.134 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.301 3.058 6.313 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.002 4.178 6.444 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.333 2.554 7.362 1.00 0.00 N ATOM 0 H ARG A 61 -1.278 -2.366 3.234 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.881 -0.238 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.380 0.638 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.753 0.216 4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.158 1.807 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.476 2.244 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.423 3.843 3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.937 3.166 4.159 1.00 0.00 H new ATOM 0 HE ARG A 61 0.315 1.585 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.492 4.570 5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.051 4.646 7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.873 1.694 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.281 3.026 8.265 1.00 0.00 H new ATOM 924 N LEU A 62 0.581 0.072 0.808 1.00 0.00 N ATOM 925 CA LEU A 62 1.953 0.021 0.311 1.00 0.00 C ATOM 926 C LEU A 62 2.573 1.414 0.373 1.00 0.00 C ATOM 927 O LEU A 62 2.111 2.337 -0.297 1.00 0.00 O ATOM 928 CB LEU A 62 1.997 -0.503 -1.127 1.00 0.00 C ATOM 929 CG LEU A 62 1.395 -1.893 -1.335 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.180 -1.802 -2.233 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.422 -2.860 -1.918 1.00 0.00 C ATOM 0 H LEU A 62 0.003 0.786 0.365 1.00 0.00 H new ATOM 0 HA LEU A 62 2.522 -0.662 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.470 0.203 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.035 -0.522 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 62 1.090 -2.282 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.242 -2.797 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.565 -1.154 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.472 -1.390 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.963 -3.839 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.769 -2.485 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.268 -2.947 -1.236 1.00 0.00 H new ATOM 943 N ILE A 63 3.612 1.569 1.185 1.00 0.00 N ATOM 944 CA ILE A 63 4.276 2.860 1.333 1.00 0.00 C ATOM 945 C ILE A 63 5.173 3.163 0.140 1.00 0.00 C ATOM 946 O ILE A 63 5.612 2.256 -0.560 1.00 0.00 O ATOM 947 CB ILE A 63 5.125 2.915 2.617 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.326 2.389 3.810 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.600 4.337 2.877 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.100 3.213 4.125 1.00 0.00 C ATOM 0 H ILE A 63 4.012 0.820 1.750 1.00 0.00 H new ATOM 0 HA ILE A 63 3.486 3.609 1.392 1.00 0.00 H new ATOM 0 HB ILE A 63 5.999 2.278 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.022 1.362 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.972 2.364 4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.199 4.360 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.205 4.678 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.737 4.993 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.582 2.782 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.399 4.235 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.433 3.217 3.263 1.00 0.00 H new ATOM 962 N GLY A 64 5.440 4.447 -0.083 1.00 0.00 N ATOM 963 CA GLY A 64 6.286 4.850 -1.192 1.00 0.00 C ATOM 964 C GLY A 64 7.483 5.663 -0.737 1.00 0.00 C ATOM 965 O GLY A 64 7.338 6.625 0.017 1.00 0.00 O ATOM 0 H GLY A 64 5.085 5.216 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.632 3.963 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.699 5.436 -1.899 1.00 0.00 H new ATOM 969 N LYS A 65 8.671 5.274 -1.192 1.00 0.00 N ATOM 970 CA LYS A 65 9.898 5.972 -0.821 1.00 0.00 C ATOM 971 C LYS A 65 9.912 7.392 -1.379 1.00 0.00 C ATOM 972 O LYS A 65 9.745 7.602 -2.580 1.00 0.00 O ATOM 973 CB LYS A 65 11.121 5.203 -1.322 1.00 0.00 C ATOM 974 CG LYS A 65 11.032 4.797 -2.785 1.00 0.00 C ATOM 975 CD LYS A 65 11.277 3.308 -2.968 1.00 0.00 C ATOM 976 CE LYS A 65 12.727 2.943 -2.695 1.00 0.00 C ATOM 977 NZ LYS A 65 13.489 2.714 -3.953 1.00 0.00 N ATOM 0 H LYS A 65 8.810 4.480 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 65 9.934 6.030 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.009 5.818 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.251 4.308 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.048 5.055 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.763 5.361 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.627 2.746 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.013 3.017 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.201 3.741 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.765 2.045 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.473 2.468 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.053 1.935 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.475 3.579 -4.530 1.00 0.00 H new ATOM 991 N VAL A 66 10.112 8.364 -0.495 1.00 0.00 N ATOM 992 CA VAL A 66 10.148 9.766 -0.890 1.00 0.00 C ATOM 993 C VAL A 66 11.585 10.261 -1.033 1.00 0.00 C ATOM 994 O VAL A 66 12.518 9.649 -0.512 1.00 0.00 O ATOM 995 CB VAL A 66 9.409 10.649 0.133 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.090 10.587 1.490 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.314 12.085 -0.358 1.00 0.00 C ATOM 0 H VAL A 66 10.252 8.205 0.503 1.00 0.00 H new ATOM 0 HA VAL A 66 9.647 9.840 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 66 8.396 10.262 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.551 11.218 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.091 9.558 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.117 10.940 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.788 12.688 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.317 12.486 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.769 12.112 -1.302 1.00 0.00 H new ATOM 1007 N ASP A 67 11.755 11.374 -1.737 1.00 0.00 N ATOM 1008 CA ASP A 67 13.075 11.956 -1.944 1.00 0.00 C ATOM 1009 C ASP A 67 13.256 13.202 -1.082 1.00 0.00 C ATOM 1010 O ASP A 67 13.363 14.316 -1.594 1.00 0.00 O ATOM 1011 CB ASP A 67 13.276 12.305 -3.420 1.00 0.00 C ATOM 1012 CG ASP A 67 13.948 11.186 -4.192 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.332 10.110 -4.335 1.00 0.00 O ATOM 1014 OD2 ASP A 67 15.092 11.387 -4.655 1.00 0.00 O ATOM 0 H ASP A 67 10.993 11.892 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 67 13.823 11.220 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.310 12.526 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.879 13.210 -3.498 1.00 0.00 H new ATOM 1019 N GLU A 68 13.286 13.004 0.232 1.00 0.00 N ATOM 1020 CA GLU A 68 13.451 14.109 1.170 1.00 0.00 C ATOM 1021 C GLU A 68 14.811 14.784 1.003 1.00 0.00 C ATOM 1022 O GLU A 68 15.023 15.899 1.481 1.00 0.00 O ATOM 1023 CB GLU A 68 13.294 13.611 2.608 1.00 0.00 C ATOM 1024 CG GLU A 68 14.367 12.622 3.031 1.00 0.00 C ATOM 1025 CD GLU A 68 14.027 11.908 4.325 1.00 0.00 C ATOM 1026 OE1 GLU A 68 14.021 12.570 5.384 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.764 10.688 4.278 1.00 0.00 O ATOM 0 H GLU A 68 13.198 12.088 0.672 1.00 0.00 H new ATOM 0 HA GLU A 68 12.676 14.845 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.313 14.466 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.316 13.141 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.508 11.885 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.314 13.148 3.149 1.00 0.00 H new ATOM 1034 N SER A 69 15.732 14.106 0.322 1.00 0.00 N ATOM 1035 CA SER A 69 17.067 14.648 0.098 1.00 0.00 C ATOM 1036 C SER A 69 17.192 15.219 -1.311 1.00 0.00 C ATOM 1037 O SER A 69 18.277 15.228 -1.893 1.00 0.00 O ATOM 1038 CB SER A 69 18.122 13.563 0.316 1.00 0.00 C ATOM 1039 OG SER A 69 17.824 12.783 1.461 1.00 0.00 O ATOM 0 H SER A 69 15.578 13.183 -0.083 1.00 0.00 H new ATOM 0 HA SER A 69 17.231 15.454 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.173 12.920 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.103 14.024 0.431 1.00 0.00 H new ATOM 0 HG SER A 69 18.513 12.096 1.577 1.00 0.00 H new ATOM 1045 N LYS A 70 16.077 15.698 -1.852 1.00 0.00 N ATOM 1046 CA LYS A 70 16.064 16.273 -3.191 1.00 0.00 C ATOM 1047 C LYS A 70 15.723 17.758 -3.142 1.00 0.00 C ATOM 1048 O LYS A 70 16.534 18.604 -3.518 1.00 0.00 O ATOM 1049 CB LYS A 70 15.057 15.536 -4.077 1.00 0.00 C ATOM 1050 CG LYS A 70 15.655 14.355 -4.825 1.00 0.00 C ATOM 1051 CD LYS A 70 16.467 14.810 -6.026 1.00 0.00 C ATOM 1052 CE LYS A 70 15.612 14.891 -7.279 1.00 0.00 C ATOM 1053 NZ LYS A 70 16.250 15.725 -8.335 1.00 0.00 N ATOM 0 H LYS A 70 15.171 15.699 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 70 17.061 16.161 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.231 15.184 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.638 16.238 -4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.291 13.780 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.857 13.690 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.906 15.786 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.292 14.118 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.438 13.887 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.637 15.308 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.635 15.755 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.393 16.691 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.169 15.313 -8.595 1.00 0.00 H new ATOM 1067 N LYS A 71 14.516 18.070 -2.677 1.00 0.00 N ATOM 1068 CA LYS A 71 14.070 19.453 -2.582 1.00 0.00 C ATOM 1069 C LYS A 71 14.034 20.099 -3.962 1.00 0.00 C ATOM 1070 O LYS A 71 15.050 20.590 -4.455 1.00 0.00 O ATOM 1071 CB LYS A 71 14.991 20.248 -1.655 1.00 0.00 C ATOM 1072 CG LYS A 71 14.551 20.234 -0.200 1.00 0.00 C ATOM 1073 CD LYS A 71 15.471 21.076 0.669 1.00 0.00 C ATOM 1074 CE LYS A 71 14.702 21.785 1.771 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.380 23.193 1.407 1.00 0.00 N ATOM 0 H LYS A 71 13.832 17.383 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 71 13.062 19.460 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.000 19.842 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.038 21.280 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.531 20.611 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.540 19.208 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.238 20.440 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.984 21.812 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.779 21.243 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.289 21.773 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.572 23.522 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.204 23.798 1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.139 23.244 0.397 1.00 0.00 H new ATOM 1089 N ARG A 72 12.861 20.089 -4.582 1.00 0.00 N ATOM 1090 CA ARG A 72 12.694 20.669 -5.911 1.00 0.00 C ATOM 1091 C ARG A 72 12.043 22.047 -5.832 1.00 0.00 C ATOM 1092 O ARG A 72 10.963 22.203 -5.261 1.00 0.00 O ATOM 1093 CB ARG A 72 11.865 19.733 -6.799 1.00 0.00 C ATOM 1094 CG ARG A 72 10.364 19.832 -6.577 1.00 0.00 C ATOM 1095 CD ARG A 72 9.758 20.962 -7.392 1.00 0.00 C ATOM 1096 NE ARG A 72 8.963 20.466 -8.513 1.00 0.00 N ATOM 1097 CZ ARG A 72 7.729 19.984 -8.389 1.00 0.00 C ATOM 1098 NH1 ARG A 72 7.144 19.932 -7.198 1.00 0.00 N ATOM 1099 NH2 ARG A 72 7.076 19.552 -9.459 1.00 0.00 N ATOM 0 H ARG A 72 12.011 19.686 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 72 13.682 20.790 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.082 19.955 -7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.181 18.705 -6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.891 18.889 -6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.161 19.995 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.130 21.577 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.554 21.604 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 72 9.378 20.491 -9.444 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.641 20.263 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.198 19.561 -7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.520 19.589 -10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.130 19.182 -9.364 1.00 0.00 H new ATOM 1113 N LYS A 73 12.707 23.043 -6.409 1.00 0.00 N ATOM 1114 CA LYS A 73 12.194 24.408 -6.405 1.00 0.00 C ATOM 1115 C LYS A 73 11.132 24.593 -7.485 1.00 0.00 C ATOM 1116 O LYS A 73 10.935 23.721 -8.332 1.00 0.00 O ATOM 1117 CB LYS A 73 13.334 25.404 -6.619 1.00 0.00 C ATOM 1118 CG LYS A 73 14.211 25.597 -5.392 1.00 0.00 C ATOM 1119 CD LYS A 73 13.822 26.847 -4.619 1.00 0.00 C ATOM 1120 CE LYS A 73 14.960 27.330 -3.733 1.00 0.00 C ATOM 1121 NZ LYS A 73 14.464 28.118 -2.572 1.00 0.00 N ATOM 0 H LYS A 73 13.602 22.930 -6.885 1.00 0.00 H new ATOM 0 HA LYS A 73 11.736 24.595 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.953 25.062 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.914 26.367 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.127 24.726 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.255 25.667 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.543 27.636 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.945 26.639 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.529 26.473 -3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.644 27.942 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.086 28.937 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.497 28.449 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.461 27.519 -1.722 1.00 0.00 H new ATOM 1135 N ASP A 74 10.450 25.733 -7.448 1.00 0.00 N ATOM 1136 CA ASP A 74 9.408 26.033 -8.423 1.00 0.00 C ATOM 1137 C ASP A 74 9.712 27.333 -9.161 1.00 0.00 C ATOM 1138 O ASP A 74 10.792 27.905 -9.013 1.00 0.00 O ATOM 1139 CB ASP A 74 8.046 26.131 -7.732 1.00 0.00 C ATOM 1140 CG ASP A 74 6.932 25.527 -8.563 1.00 0.00 C ATOM 1141 OD1 ASP A 74 6.896 24.285 -8.696 1.00 0.00 O ATOM 1142 OD2 ASP A 74 6.095 26.296 -9.081 1.00 0.00 O ATOM 0 H ASP A 74 10.600 26.464 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 74 9.381 25.221 -9.150 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.093 25.623 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.818 27.178 -7.530 1.00 0.00 H new ATOM 1147 N ASN A 75 8.753 27.792 -9.959 1.00 0.00 N ATOM 1148 CA ASN A 75 8.918 29.025 -10.721 1.00 0.00 C ATOM 1149 C ASN A 75 8.962 30.241 -9.799 1.00 0.00 C ATOM 1150 O ASN A 75 9.470 31.297 -10.175 1.00 0.00 O ATOM 1151 CB ASN A 75 7.782 29.179 -11.734 1.00 0.00 C ATOM 1152 CG ASN A 75 8.129 28.587 -13.086 1.00 0.00 C ATOM 1153 OD1 ASN A 75 7.844 27.421 -13.358 1.00 0.00 O ATOM 1154 ND2 ASN A 75 8.750 29.391 -13.941 1.00 0.00 N ATOM 0 H ASN A 75 7.854 27.329 -10.095 1.00 0.00 H new ATOM 0 HA ASN A 75 9.867 28.965 -11.254 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.886 28.694 -11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.546 30.236 -11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.010 29.049 -14.866 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.967 30.351 -13.673 1.00 0.00 H new ATOM 1161 N GLU A 76 8.428 30.085 -8.594 1.00 0.00 N ATOM 1162 CA GLU A 76 8.408 31.171 -7.620 1.00 0.00 C ATOM 1163 C GLU A 76 9.515 30.997 -6.584 1.00 0.00 C ATOM 1164 O GLU A 76 9.391 31.454 -5.447 1.00 0.00 O ATOM 1165 CB GLU A 76 7.048 31.234 -6.924 1.00 0.00 C ATOM 1166 CG GLU A 76 5.976 31.934 -7.745 1.00 0.00 C ATOM 1167 CD GLU A 76 5.821 31.338 -9.130 1.00 0.00 C ATOM 1168 OE1 GLU A 76 5.038 30.377 -9.279 1.00 0.00 O ATOM 1169 OE2 GLU A 76 6.484 31.832 -10.067 1.00 0.00 O ATOM 0 H GLU A 76 8.003 29.217 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 76 8.580 32.106 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.717 30.220 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.160 31.752 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.023 31.874 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.225 32.992 -7.834 1.00 0.00 H new ATOM 1176 N GLY A 77 10.596 30.334 -6.983 1.00 0.00 N ATOM 1177 CA GLY A 77 11.707 30.112 -6.077 1.00 0.00 C ATOM 1178 C GLY A 77 11.289 29.400 -4.804 1.00 0.00 C ATOM 1179 O GLY A 77 11.927 29.552 -3.762 1.00 0.00 O ATOM 0 H GLY A 77 10.722 29.947 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.472 29.523 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.159 31.070 -5.821 1.00 0.00 H new ATOM 1183 N ASN A 78 10.214 28.622 -4.887 1.00 0.00 N ATOM 1184 CA ASN A 78 9.712 27.887 -3.732 1.00 0.00 C ATOM 1185 C ASN A 78 10.285 26.474 -3.695 1.00 0.00 C ATOM 1186 O ASN A 78 10.010 25.659 -4.575 1.00 0.00 O ATOM 1187 CB ASN A 78 8.184 27.829 -3.762 1.00 0.00 C ATOM 1188 CG ASN A 78 7.559 29.186 -4.020 1.00 0.00 C ATOM 1189 OD1 ASN A 78 8.130 30.220 -3.675 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.378 29.187 -4.628 1.00 0.00 N ATOM 0 H ASN A 78 9.674 28.485 -5.742 1.00 0.00 H new ATOM 0 HA ASN A 78 10.031 28.413 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.865 27.132 -4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.819 27.439 -2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.907 30.070 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.942 28.305 -4.896 1.00 0.00 H new ATOM 1197 N GLU A 79 11.080 26.191 -2.667 1.00 0.00 N ATOM 1198 CA GLU A 79 11.690 24.877 -2.511 1.00 0.00 C ATOM 1199 C GLU A 79 10.668 23.864 -2.010 1.00 0.00 C ATOM 1200 O GLU A 79 10.154 23.985 -0.897 1.00 0.00 O ATOM 1201 CB GLU A 79 12.871 24.951 -1.540 1.00 0.00 C ATOM 1202 CG GLU A 79 12.471 25.347 -0.128 1.00 0.00 C ATOM 1203 CD GLU A 79 13.449 26.319 0.504 1.00 0.00 C ATOM 1204 OE1 GLU A 79 13.691 27.389 -0.094 1.00 0.00 O ATOM 1205 OE2 GLU A 79 13.971 26.011 1.596 1.00 0.00 O ATOM 0 H GLU A 79 11.316 26.855 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 79 12.052 24.552 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.368 23.981 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.598 25.670 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.479 25.797 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.402 24.452 0.491 1.00 0.00 H new ATOM 1212 N VAL A 80 10.369 22.871 -2.840 1.00 0.00 N ATOM 1213 CA VAL A 80 9.401 21.846 -2.481 1.00 0.00 C ATOM 1214 C VAL A 80 10.047 20.475 -2.372 1.00 0.00 C ATOM 1215 O VAL A 80 10.601 19.960 -3.341 1.00 0.00 O ATOM 1216 CB VAL A 80 8.264 21.768 -3.503 1.00 0.00 C ATOM 1217 CG1 VAL A 80 7.132 20.892 -2.982 1.00 0.00 C ATOM 1218 CG2 VAL A 80 7.768 23.161 -3.858 1.00 0.00 C ATOM 0 H VAL A 80 10.784 22.756 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 80 9.000 22.133 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 80 8.647 21.308 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.334 20.850 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.507 19.886 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.744 21.313 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.960 23.085 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.401 23.657 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.587 23.741 -4.284 1.00 0.00 H new ATOM 1228 N VAL A 81 9.956 19.882 -1.190 1.00 0.00 N ATOM 1229 CA VAL A 81 10.513 18.562 -0.959 1.00 0.00 C ATOM 1230 C VAL A 81 9.400 17.513 -0.987 1.00 0.00 C ATOM 1231 O VAL A 81 8.702 17.307 0.005 1.00 0.00 O ATOM 1232 CB VAL A 81 11.272 18.498 0.383 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.323 18.663 1.562 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.053 17.199 0.489 1.00 0.00 C ATOM 0 H VAL A 81 9.501 20.297 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 81 11.226 18.352 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 81 11.979 19.327 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.887 18.613 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.821 19.628 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.580 17.866 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.583 17.170 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.365 16.355 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.772 17.139 -0.328 1.00 0.00 H new ATOM 1244 N PRO A 82 9.204 16.850 -2.144 1.00 0.00 N ATOM 1245 CA PRO A 82 8.161 15.840 -2.318 1.00 0.00 C ATOM 1246 C PRO A 82 7.931 14.990 -1.071 1.00 0.00 C ATOM 1247 O PRO A 82 8.841 14.783 -0.270 1.00 0.00 O ATOM 1248 CB PRO A 82 8.713 14.989 -3.455 1.00 0.00 C ATOM 1249 CG PRO A 82 9.484 15.947 -4.302 1.00 0.00 C ATOM 1250 CD PRO A 82 9.973 17.047 -3.389 1.00 0.00 C ATOM 0 HA PRO A 82 7.187 16.287 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.352 14.190 -3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.911 14.516 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.322 15.446 -4.786 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.856 16.354 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.046 16.970 -3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.791 18.032 -3.819 1.00 0.00 H new ATOM 1258 N LYS A 83 6.704 14.504 -0.918 1.00 0.00 N ATOM 1259 CA LYS A 83 6.339 13.676 0.228 1.00 0.00 C ATOM 1260 C LYS A 83 6.233 12.210 -0.166 1.00 0.00 C ATOM 1261 O LYS A 83 6.272 11.862 -1.346 1.00 0.00 O ATOM 1262 CB LYS A 83 5.014 14.154 0.827 1.00 0.00 C ATOM 1263 CG LYS A 83 5.181 15.200 1.917 1.00 0.00 C ATOM 1264 CD LYS A 83 3.838 15.730 2.391 1.00 0.00 C ATOM 1265 CE LYS A 83 3.905 17.216 2.705 1.00 0.00 C ATOM 1266 NZ LYS A 83 3.532 18.049 1.528 1.00 0.00 N ATOM 0 H LYS A 83 5.942 14.670 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 83 7.125 13.772 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.393 14.566 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.480 13.297 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.720 14.766 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.787 16.025 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.084 15.553 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.523 15.183 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.237 17.442 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.914 17.474 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.590 19.056 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.185 17.852 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.560 17.821 1.236 1.00 0.00 H new ATOM 1280 N PRO A 84 6.116 11.330 0.837 1.00 0.00 N ATOM 1281 CA PRO A 84 6.025 9.885 0.641 1.00 0.00 C ATOM 1282 C PRO A 84 4.620 9.443 0.246 1.00 0.00 C ATOM 1283 O PRO A 84 3.674 9.579 1.020 1.00 0.00 O ATOM 1284 CB PRO A 84 6.410 9.320 2.023 1.00 0.00 C ATOM 1285 CG PRO A 84 6.830 10.509 2.835 1.00 0.00 C ATOM 1286 CD PRO A 84 6.086 11.663 2.259 1.00 0.00 C ATOM 0 HA PRO A 84 6.665 9.536 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.568 8.806 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.220 8.595 1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.587 10.371 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.907 10.666 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.069 11.733 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.573 12.615 2.470 1.00 0.00 H new ATOM 1294 N GLN A 85 4.493 8.918 -0.968 1.00 0.00 N ATOM 1295 CA GLN A 85 3.204 8.460 -1.472 1.00 0.00 C ATOM 1296 C GLN A 85 2.918 7.028 -1.032 1.00 0.00 C ATOM 1297 O GLN A 85 3.611 6.093 -1.434 1.00 0.00 O ATOM 1298 CB GLN A 85 3.169 8.551 -2.999 1.00 0.00 C ATOM 1299 CG GLN A 85 3.629 9.895 -3.539 1.00 0.00 C ATOM 1300 CD GLN A 85 4.449 9.764 -4.807 1.00 0.00 C ATOM 1301 OE1 GLN A 85 4.038 10.216 -5.875 1.00 0.00 O ATOM 1302 NE2 GLN A 85 5.617 9.142 -4.694 1.00 0.00 N ATOM 0 H GLN A 85 5.267 8.799 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 85 2.432 9.107 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.800 7.766 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.153 8.359 -3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.758 10.520 -3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.221 10.404 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.918 8.783 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.213 9.023 -5.513 1.00 0.00 H new ATOM 1311 N ARG A 86 1.890 6.866 -0.207 1.00 0.00 N ATOM 1312 CA ARG A 86 1.503 5.551 0.288 1.00 0.00 C ATOM 1313 C ARG A 86 0.173 5.121 -0.322 1.00 0.00 C ATOM 1314 O ARG A 86 -0.793 5.884 -0.322 1.00 0.00 O ATOM 1315 CB ARG A 86 1.397 5.568 1.813 1.00 0.00 C ATOM 1316 CG ARG A 86 2.587 6.224 2.497 1.00 0.00 C ATOM 1317 CD ARG A 86 2.167 7.439 3.310 1.00 0.00 C ATOM 1318 NE ARG A 86 3.124 7.746 4.371 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.844 8.509 5.424 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.637 9.046 5.561 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.772 8.736 6.343 1.00 0.00 N ATOM 0 H ARG A 86 1.308 7.631 0.134 1.00 0.00 H new ATOM 0 HA ARG A 86 2.270 4.834 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.487 6.095 2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.300 4.544 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.076 5.501 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.319 6.523 1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.069 8.301 2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.185 7.260 3.748 1.00 0.00 H new ATOM 0 HE ARG A 86 4.062 7.352 4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.919 8.874 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.428 9.630 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.700 8.326 6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.558 9.321 7.151 1.00 0.00 H new ATOM 1335 N HIS A 87 0.126 3.898 -0.839 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.093 3.381 -1.447 1.00 0.00 C ATOM 1337 C HIS A 87 -1.882 2.561 -0.435 1.00 0.00 C ATOM 1338 O HIS A 87 -1.454 1.481 -0.028 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.750 2.527 -2.671 1.00 0.00 C ATOM 1340 CG HIS A 87 0.445 3.018 -3.428 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.357 3.873 -4.507 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.764 2.774 -3.249 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.571 4.132 -4.960 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.442 3.477 -4.214 1.00 0.00 N ATOM 0 H HIS A 87 0.914 3.250 -0.849 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.708 4.222 -1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.570 1.501 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.610 2.504 -3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.202 2.144 -2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.810 4.771 -5.798 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.455 3.491 -4.335 1.00 0.00 H new ATOM 1353 N MET A 88 -3.032 3.087 -0.025 1.00 0.00 N ATOM 1354 CA MET A 88 -3.877 2.411 0.952 1.00 0.00 C ATOM 1355 C MET A 88 -5.049 1.709 0.280 1.00 0.00 C ATOM 1356 O MET A 88 -5.632 2.224 -0.674 1.00 0.00 O ATOM 1357 CB MET A 88 -4.395 3.416 1.984 1.00 0.00 C ATOM 1358 CG MET A 88 -4.432 2.870 3.401 1.00 0.00 C ATOM 1359 SD MET A 88 -4.360 4.173 4.646 1.00 0.00 S ATOM 1360 CE MET A 88 -5.408 3.480 5.923 1.00 0.00 C ATOM 0 H MET A 88 -3.400 3.980 -0.355 1.00 0.00 H new ATOM 0 HA MET A 88 -3.271 1.656 1.453 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.763 4.304 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.399 3.732 1.699 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.344 2.290 3.540 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.595 2.187 3.546 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.201 4.187 6.167 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.849 2.549 5.566 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.813 3.281 6.814 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.391 0.531 0.789 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.496 -0.243 0.244 1.00 0.00 C ATOM 1372 C PHE A 89 -7.294 -0.916 1.355 1.00 0.00 C ATOM 1373 O PHE A 89 -6.776 -1.767 2.077 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.982 -1.297 -0.733 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.985 -0.767 -1.720 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.699 -0.452 -1.319 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.334 -0.587 -3.049 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.777 0.033 -2.225 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.415 -0.103 -3.959 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.134 0.206 -3.547 1.00 0.00 C ATOM 0 H PHE A 89 -4.918 0.092 1.579 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.153 0.445 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.525 -2.110 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.827 -1.720 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.413 -0.587 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.335 -0.828 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.777 0.277 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.698 0.034 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.413 0.582 -4.258 1.00 0.00 H new ATOM 1390 N SER A 90 -8.562 -0.537 1.479 1.00 0.00 N ATOM 1391 CA SER A 90 -9.433 -1.112 2.496 1.00 0.00 C ATOM 1392 C SER A 90 -10.089 -2.385 1.976 1.00 0.00 C ATOM 1393 O SER A 90 -10.872 -2.348 1.028 1.00 0.00 O ATOM 1394 CB SER A 90 -10.513 -0.110 2.908 1.00 0.00 C ATOM 1395 OG SER A 90 -10.027 1.220 2.845 1.00 0.00 O ATOM 0 H SER A 90 -9.008 0.165 0.888 1.00 0.00 H new ATOM 0 HA SER A 90 -8.824 -1.354 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.379 -0.215 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.850 -0.330 3.921 1.00 0.00 H new ATOM 0 HG SER A 90 -10.737 1.841 3.111 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.760 -3.508 2.597 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.312 -4.793 2.189 1.00 0.00 C ATOM 1403 C PHE A 91 -11.618 -5.094 2.917 1.00 0.00 C ATOM 1404 O PHE A 91 -11.720 -4.922 4.131 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.299 -5.905 2.453 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.282 -6.048 1.361 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.447 -4.993 1.032 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.164 -7.236 0.663 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.510 -5.123 0.024 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.231 -7.372 -0.345 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.402 -6.314 -0.666 1.00 0.00 C ATOM 0 H PHE A 91 -9.114 -3.556 3.385 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.525 -4.743 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.787 -5.705 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.829 -6.850 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.529 -4.059 1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.809 -8.066 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.863 -4.294 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.149 -8.305 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.672 -6.419 -1.455 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.610 -5.556 2.161 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.911 -5.896 2.726 1.00 0.00 C ATOM 1423 C ASN A 92 -14.014 -7.400 2.961 1.00 0.00 C ATOM 1424 O ASN A 92 -15.101 -7.975 2.912 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.030 -5.434 1.792 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.521 -4.038 2.123 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.522 -3.628 3.284 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.942 -3.302 1.102 1.00 0.00 N ATOM 0 H ASN A 92 -12.537 -5.703 1.154 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.016 -5.385 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.672 -5.456 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.864 -6.134 1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.285 -2.355 1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.923 -3.683 0.156 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.870 -8.030 3.210 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.816 -9.467 3.448 1.00 0.00 C ATOM 1437 C ASN A 93 -11.403 -9.895 3.814 1.00 0.00 C ATOM 1438 O ASN A 93 -10.486 -9.811 2.997 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.291 -10.228 2.209 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.744 -10.649 2.309 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.377 -10.493 3.353 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.280 -11.187 1.220 1.00 0.00 N ATOM 0 H ASN A 93 -11.964 -7.564 3.252 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.478 -9.703 4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.158 -9.601 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.669 -11.112 2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.254 -11.490 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.718 -11.297 0.376 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.234 -10.359 5.047 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.932 -10.807 5.523 1.00 0.00 C ATOM 1451 C ARG A 94 -9.368 -11.900 4.623 1.00 0.00 C ATOM 1452 O ARG A 94 -8.170 -12.180 4.648 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.038 -11.317 6.962 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.792 -11.056 7.794 1.00 0.00 C ATOM 1455 CD ARG A 94 -7.866 -12.261 7.807 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.359 -13.325 8.680 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.046 -14.385 8.254 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -9.334 -14.533 6.966 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.449 -15.303 9.123 1.00 0.00 N ATOM 0 H ARG A 94 -11.983 -10.435 5.735 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.252 -9.955 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.893 -10.843 7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.235 -12.389 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.261 -10.192 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.081 -10.807 8.815 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.758 -12.646 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.874 -11.952 8.138 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.165 -13.252 9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.029 -13.832 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.860 -15.348 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.233 -15.197 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.975 -16.115 8.800 1.00 0.00 H new ATOM 1473 N THR A 95 -10.233 -12.515 3.822 1.00 0.00 N ATOM 1474 CA THR A 95 -9.807 -13.569 2.917 1.00 0.00 C ATOM 1475 C THR A 95 -9.006 -12.985 1.760 1.00 0.00 C ATOM 1476 O THR A 95 -7.904 -13.444 1.459 1.00 0.00 O ATOM 1477 CB THR A 95 -11.027 -14.338 2.410 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.175 -15.560 3.109 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.983 -14.660 0.933 1.00 0.00 C ATOM 0 H THR A 95 -11.229 -12.300 3.784 1.00 0.00 H new ATOM 0 HA THR A 95 -9.159 -14.263 3.453 1.00 0.00 H new ATOM 0 HB THR A 95 -11.870 -13.670 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.962 -16.037 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.884 -15.206 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.927 -13.734 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.107 -15.272 0.720 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.561 -11.962 1.125 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.887 -11.305 0.011 1.00 0.00 C ATOM 1489 C VAL A 96 -7.630 -10.616 0.509 1.00 0.00 C ATOM 1490 O VAL A 96 -6.577 -10.677 -0.128 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.782 -10.263 -0.702 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.674 -10.409 -2.213 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.227 -10.384 -0.251 1.00 0.00 C ATOM 0 H VAL A 96 -10.473 -11.569 1.360 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.644 -12.082 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.428 -9.269 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.310 -9.668 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.640 -10.255 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.995 -11.409 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.833 -9.640 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.599 -11.381 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.288 -10.218 0.825 1.00 0.00 H new ATOM 1503 N MET A 97 -7.745 -9.969 1.663 1.00 0.00 N ATOM 1504 CA MET A 97 -6.611 -9.279 2.258 1.00 0.00 C ATOM 1505 C MET A 97 -5.553 -10.290 2.684 1.00 0.00 C ATOM 1506 O MET A 97 -4.355 -10.048 2.539 1.00 0.00 O ATOM 1507 CB MET A 97 -7.065 -8.421 3.446 1.00 0.00 C ATOM 1508 CG MET A 97 -7.047 -9.141 4.786 1.00 0.00 C ATOM 1509 SD MET A 97 -5.485 -8.941 5.659 1.00 0.00 S ATOM 1510 CE MET A 97 -6.035 -7.998 7.075 1.00 0.00 C ATOM 0 H MET A 97 -8.609 -9.909 2.202 1.00 0.00 H new ATOM 0 HA MET A 97 -6.172 -8.613 1.515 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.422 -7.543 3.511 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.076 -8.062 3.254 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.858 -8.763 5.408 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.236 -10.202 4.626 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.215 -7.379 7.441 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.870 -7.360 6.785 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.355 -8.679 7.864 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.006 -11.435 3.193 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.091 -12.486 3.615 1.00 0.00 C ATOM 1522 C ASP A 98 -4.294 -12.988 2.420 1.00 0.00 C ATOM 1523 O ASP A 98 -3.152 -13.425 2.559 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.859 -13.640 4.266 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.955 -14.795 4.654 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.042 -14.583 5.480 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.159 -15.910 4.131 1.00 0.00 O ATOM 0 H ASP A 98 -6.994 -11.654 3.321 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.402 -12.075 4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.375 -13.273 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.624 -13.997 3.577 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.905 -12.907 1.245 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.256 -13.338 0.016 1.00 0.00 C ATOM 1534 C ASN A 99 -3.333 -12.243 -0.509 1.00 0.00 C ATOM 1535 O ASN A 99 -2.115 -12.409 -0.534 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.301 -13.694 -1.044 1.00 0.00 C ATOM 1537 CG ASN A 99 -5.665 -15.165 -1.024 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.013 -15.987 -1.668 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -6.713 -15.506 -0.282 1.00 0.00 N ATOM 0 H ASN A 99 -5.851 -12.546 1.118 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.661 -14.225 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.199 -13.098 -0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.919 -13.430 -2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.005 -16.482 -0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.225 -14.792 0.236 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.922 -11.116 -0.910 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.153 -9.982 -1.424 1.00 0.00 C ATOM 1548 C ILE A 100 -1.961 -9.685 -0.523 1.00 0.00 C ATOM 1549 O ILE A 100 -0.814 -9.670 -0.969 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.021 -8.709 -1.529 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.199 -8.941 -2.480 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.183 -7.519 -1.989 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.813 -8.929 -3.941 1.00 0.00 C ATOM 0 H ILE A 100 -4.930 -10.964 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.806 -10.260 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.417 -8.482 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.662 -9.899 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.952 -8.172 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.815 -6.633 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.382 -7.340 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.753 -7.733 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.699 -9.100 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.378 -7.962 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.084 -9.716 -4.131 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.249 -9.451 0.751 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.216 -9.155 1.734 1.00 0.00 C ATOM 1567 C LYS A 101 -0.068 -10.155 1.638 1.00 0.00 C ATOM 1568 O LYS A 101 1.101 -9.782 1.707 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.815 -9.190 3.140 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.808 -8.928 4.244 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.503 -8.602 5.554 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.731 -9.847 6.392 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.488 -10.654 6.542 1.00 0.00 N ATOM 0 H LYS A 101 -3.196 -9.461 1.129 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.822 -8.160 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.611 -8.448 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.274 -10.165 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.172 -9.803 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.158 -8.101 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.902 -7.889 6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.459 -8.121 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.097 -9.559 7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.506 -10.458 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.559 -11.246 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.366 -11.262 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.330 -10.018 6.630 1.00 0.00 H new ATOM 1587 N MET A 102 -0.415 -11.428 1.476 1.00 0.00 N ATOM 1588 CA MET A 102 0.581 -12.482 1.368 1.00 0.00 C ATOM 1589 C MET A 102 1.237 -12.451 -0.005 1.00 0.00 C ATOM 1590 O MET A 102 2.446 -12.653 -0.131 1.00 0.00 O ATOM 1591 CB MET A 102 -0.056 -13.855 1.652 1.00 0.00 C ATOM 1592 CG MET A 102 -0.338 -14.700 0.414 1.00 0.00 C ATOM 1593 SD MET A 102 -1.655 -15.911 0.666 1.00 0.00 S ATOM 1594 CE MET A 102 -1.522 -16.227 2.425 1.00 0.00 C ATOM 0 H MET A 102 -1.380 -11.752 1.417 1.00 0.00 H new ATOM 0 HA MET A 102 1.356 -12.312 2.115 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.604 -14.416 2.314 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.991 -13.701 2.190 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.610 -14.043 -0.412 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.574 -15.220 0.121 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.062 -17.141 2.672 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.472 -16.341 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.951 -15.391 2.978 1.00 0.00 H new ATOM 1604 N THR A 103 0.436 -12.193 -1.033 1.00 0.00 N ATOM 1605 CA THR A 103 0.939 -12.132 -2.383 1.00 0.00 C ATOM 1606 C THR A 103 1.997 -11.048 -2.517 1.00 0.00 C ATOM 1607 O THR A 103 3.092 -11.294 -3.020 1.00 0.00 O ATOM 1608 CB THR A 103 -0.210 -11.862 -3.345 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.444 -12.273 -2.787 1.00 0.00 O ATOM 1610 CG2 THR A 103 -0.052 -12.568 -4.659 1.00 0.00 C ATOM 0 H THR A 103 -0.566 -12.024 -0.947 1.00 0.00 H new ATOM 0 HA THR A 103 1.399 -13.089 -2.627 1.00 0.00 H new ATOM 0 HB THR A 103 -0.196 -10.786 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.173 -12.040 -3.399 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.902 -12.336 -5.301 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.868 -12.238 -5.141 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.007 -13.644 -4.491 1.00 0.00 H new ATOM 1618 N LEU A 104 1.665 -9.849 -2.054 1.00 0.00 N ATOM 1619 CA LEU A 104 2.594 -8.732 -2.115 1.00 0.00 C ATOM 1620 C LEU A 104 3.922 -9.115 -1.475 1.00 0.00 C ATOM 1621 O LEU A 104 4.967 -9.083 -2.126 1.00 0.00 O ATOM 1622 CB LEU A 104 2.006 -7.507 -1.411 1.00 0.00 C ATOM 1623 CG LEU A 104 0.609 -7.093 -1.876 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.142 -6.408 -0.745 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.694 -6.176 -3.086 1.00 0.00 C ATOM 0 H LEU A 104 0.762 -9.628 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 104 2.766 -8.483 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.970 -7.707 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.683 -6.665 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 104 0.063 -7.991 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.135 -6.119 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.236 -7.094 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.406 -5.520 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.311 -5.894 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.258 -5.280 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.196 -6.696 -3.902 1.00 0.00 H new ATOM 1637 N GLN A 105 3.875 -9.490 -0.197 1.00 0.00 N ATOM 1638 CA GLN A 105 5.081 -9.889 0.519 1.00 0.00 C ATOM 1639 C GLN A 105 5.730 -11.093 -0.151 1.00 0.00 C ATOM 1640 O GLN A 105 6.955 -11.213 -0.171 1.00 0.00 O ATOM 1641 CB GLN A 105 4.773 -10.202 1.986 1.00 0.00 C ATOM 1642 CG GLN A 105 3.623 -11.174 2.187 1.00 0.00 C ATOM 1643 CD GLN A 105 2.905 -10.958 3.506 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.678 -11.900 4.266 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.543 -9.710 3.784 1.00 0.00 N ATOM 0 H GLN A 105 3.020 -9.525 0.358 1.00 0.00 H new ATOM 0 HA GLN A 105 5.779 -9.053 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.668 -10.613 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.542 -9.271 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.912 -11.066 1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.003 -12.195 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.751 -8.960 3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.057 -9.502 4.656 1.00 0.00 H new ATOM 1654 N GLN A 106 4.910 -11.978 -0.721 1.00 0.00 N ATOM 1655 CA GLN A 106 5.431 -13.154 -1.408 1.00 0.00 C ATOM 1656 C GLN A 106 6.399 -12.716 -2.500 1.00 0.00 C ATOM 1657 O GLN A 106 7.422 -13.357 -2.744 1.00 0.00 O ATOM 1658 CB GLN A 106 4.289 -13.976 -2.010 1.00 0.00 C ATOM 1659 CG GLN A 106 3.850 -15.139 -1.137 1.00 0.00 C ATOM 1660 CD GLN A 106 2.897 -16.077 -1.851 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.796 -16.063 -3.077 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.190 -16.899 -1.083 1.00 0.00 N ATOM 0 H GLN A 106 3.893 -11.902 -0.719 1.00 0.00 H new ATOM 0 HA GLN A 106 5.958 -13.781 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.435 -13.322 -2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.601 -14.360 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.728 -15.697 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.369 -14.753 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.306 -16.876 -0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.531 -17.553 -1.507 1.00 0.00 H new ATOM 1671 N ILE A 107 6.068 -11.596 -3.133 1.00 0.00 N ATOM 1672 CA ILE A 107 6.894 -11.023 -4.183 1.00 0.00 C ATOM 1673 C ILE A 107 7.970 -10.135 -3.573 1.00 0.00 C ATOM 1674 O ILE A 107 9.155 -10.287 -3.861 1.00 0.00 O ATOM 1675 CB ILE A 107 6.050 -10.203 -5.172 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.785 -10.969 -5.571 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.877 -9.870 -6.394 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.629 -10.069 -5.952 1.00 0.00 C ATOM 0 H ILE A 107 5.222 -11.063 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 107 7.360 -11.844 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 107 5.742 -9.276 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.016 -11.625 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.480 -11.608 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.276 -9.289 -7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.750 -9.289 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.203 -10.792 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.767 -10.679 -6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.371 -9.431 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.916 -9.448 -6.801 1.00 0.00 H new ATOM 1690 N ILE A 108 7.539 -9.215 -2.715 1.00 0.00 N ATOM 1691 CA ILE A 108 8.451 -8.295 -2.030 1.00 0.00 C ATOM 1692 C ILE A 108 9.695 -9.016 -1.548 1.00 0.00 C ATOM 1693 O ILE A 108 10.815 -8.661 -1.906 1.00 0.00 O ATOM 1694 CB ILE A 108 7.782 -7.623 -0.813 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.452 -6.972 -1.222 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.734 -6.613 -0.177 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.308 -5.514 -0.824 1.00 0.00 C ATOM 0 H ILE A 108 6.557 -9.084 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 108 8.720 -7.532 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 108 7.558 -8.384 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.342 -7.051 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.634 -7.538 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.249 -6.146 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.640 -7.123 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.994 -5.847 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.339 -5.141 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.381 -5.424 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.100 -4.929 -1.291 1.00 0.00 H new ATOM 1709 N SER A 109 9.479 -10.036 -0.737 1.00 0.00 N ATOM 1710 CA SER A 109 10.573 -10.834 -0.191 1.00 0.00 C ATOM 1711 C SER A 109 11.568 -11.224 -1.281 1.00 0.00 C ATOM 1712 O SER A 109 12.746 -11.456 -1.011 1.00 0.00 O ATOM 1713 CB SER A 109 10.026 -12.091 0.490 1.00 0.00 C ATOM 1714 OG SER A 109 9.253 -11.758 1.630 1.00 0.00 O ATOM 0 H SER A 109 8.551 -10.336 -0.438 1.00 0.00 H new ATOM 0 HA SER A 109 11.095 -10.225 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.415 -12.654 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.852 -12.738 0.784 1.00 0.00 H new ATOM 0 HG SER A 109 9.180 -12.540 2.216 1.00 0.00 H new ATOM 1720 N ARG A 110 11.082 -11.287 -2.514 1.00 0.00 N ATOM 1721 CA ARG A 110 11.918 -11.641 -3.653 1.00 0.00 C ATOM 1722 C ARG A 110 12.842 -10.490 -4.036 1.00 0.00 C ATOM 1723 O ARG A 110 13.900 -10.707 -4.622 1.00 0.00 O ATOM 1724 CB ARG A 110 11.052 -12.038 -4.851 1.00 0.00 C ATOM 1725 CG ARG A 110 9.920 -12.988 -4.495 1.00 0.00 C ATOM 1726 CD ARG A 110 9.088 -13.344 -5.717 1.00 0.00 C ATOM 1727 NE ARG A 110 7.984 -14.241 -5.385 1.00 0.00 N ATOM 1728 CZ ARG A 110 8.129 -15.546 -5.166 1.00 0.00 C ATOM 1729 NH1 ARG A 110 9.327 -16.110 -5.244 1.00 0.00 N ATOM 1730 NH2 ARG A 110 7.072 -16.290 -4.870 1.00 0.00 N ATOM 0 H ARG A 110 10.108 -11.096 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 110 12.533 -12.492 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.632 -11.138 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.684 -12.506 -5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.331 -13.897 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.282 -12.529 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.692 -12.432 -6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.726 -13.815 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 110 7.047 -13.844 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.144 -15.543 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.432 -17.110 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.148 -15.862 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.183 -17.290 -4.702 1.00 0.00 H new ATOM 1744 N TYR A 111 12.442 -9.268 -3.701 1.00 0.00 N ATOM 1745 CA TYR A 111 13.246 -8.092 -4.014 1.00 0.00 C ATOM 1746 C TYR A 111 14.420 -8.008 -3.052 1.00 0.00 C ATOM 1747 O TYR A 111 15.519 -7.601 -3.425 1.00 0.00 O ATOM 1748 CB TYR A 111 12.426 -6.795 -3.927 1.00 0.00 C ATOM 1749 CG TYR A 111 10.970 -6.903 -4.346 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.488 -7.989 -5.074 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.070 -5.898 -4.003 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.161 -8.065 -5.440 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.741 -5.970 -4.369 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.291 -7.055 -5.086 1.00 0.00 C ATOM 1755 OH TYR A 111 6.967 -7.130 -5.447 1.00 0.00 O ATOM 0 H TYR A 111 11.569 -9.066 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 111 13.600 -8.197 -5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.463 -6.433 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.908 -6.040 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.164 -8.783 -5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.418 -5.045 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.803 -8.914 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.058 -5.179 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 111 6.419 -7.286 -4.650 1.00 0.00 H new ATOM 1765 N LYS A 112 14.175 -8.420 -1.814 1.00 0.00 N ATOM 1766 CA LYS A 112 15.206 -8.418 -0.790 1.00 0.00 C ATOM 1767 C LYS A 112 16.044 -9.655 -0.976 1.00 0.00 C ATOM 1768 O LYS A 112 17.274 -9.620 -0.943 1.00 0.00 O ATOM 1769 CB LYS A 112 14.627 -8.397 0.631 1.00 0.00 C ATOM 1770 CG LYS A 112 13.140 -8.651 0.684 1.00 0.00 C ATOM 1771 CD LYS A 112 12.390 -7.505 0.049 1.00 0.00 C ATOM 1772 CE LYS A 112 12.446 -6.268 0.911 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.268 -5.382 0.695 1.00 0.00 N ATOM 0 H LYS A 112 13.267 -8.760 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 112 15.800 -7.511 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.137 -9.149 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.838 -7.429 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.904 -9.580 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.822 -8.774 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.816 -7.288 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.351 -7.792 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.493 -6.559 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.360 -5.715 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.546 -4.391 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.920 -5.499 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.515 -5.637 1.365 1.00 0.00 H new ATOM 1787 N ASP A 113 15.339 -10.748 -1.212 1.00 0.00 N ATOM 1788 CA ASP A 113 15.975 -12.029 -1.456 1.00 0.00 C ATOM 1789 C ASP A 113 16.830 -11.928 -2.707 1.00 0.00 C ATOM 1790 O ASP A 113 17.872 -12.574 -2.823 1.00 0.00 O ATOM 1791 CB ASP A 113 14.927 -13.133 -1.616 1.00 0.00 C ATOM 1792 CG ASP A 113 15.547 -14.514 -1.686 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.110 -14.964 -0.665 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.471 -15.147 -2.760 1.00 0.00 O ATOM 0 H ASP A 113 14.320 -10.772 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 113 16.603 -12.285 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.230 -13.093 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.348 -12.952 -2.521 1.00 0.00 H new ATOM 1799 N ALA A 114 16.386 -11.084 -3.633 1.00 0.00 N ATOM 1800 CA ALA A 114 17.108 -10.859 -4.870 1.00 0.00 C ATOM 1801 C ALA A 114 18.056 -9.672 -4.731 1.00 0.00 C ATOM 1802 O ALA A 114 18.996 -9.522 -5.512 1.00 0.00 O ATOM 1803 CB ALA A 114 16.144 -10.637 -6.026 1.00 0.00 C ATOM 0 H ALA A 114 15.525 -10.545 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 114 17.699 -11.750 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.708 -10.470 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.510 -11.515 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.522 -9.766 -5.819 1.00 0.00 H new ATOM 1809 N ASP A 115 17.804 -8.829 -3.729 1.00 0.00 N ATOM 1810 CA ASP A 115 18.638 -7.654 -3.489 1.00 0.00 C ATOM 1811 C ASP A 115 20.113 -8.038 -3.404 1.00 0.00 C ATOM 1812 O ASP A 115 20.967 -7.166 -3.669 1.00 0.00 O ATOM 1813 CB ASP A 115 18.209 -6.953 -2.198 1.00 0.00 C ATOM 1814 CG ASP A 115 19.002 -5.687 -1.935 1.00 0.00 C ATOM 1815 OD1 ASP A 115 18.908 -4.748 -2.753 1.00 0.00 O ATOM 1816 OD2 ASP A 115 19.716 -5.636 -0.912 1.00 0.00 O ATOM 0 H ASP A 115 17.031 -8.939 -3.073 1.00 0.00 H new ATOM 0 HA ASP A 115 18.507 -6.971 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.148 -6.708 -2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.333 -7.637 -1.358 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N ASP B 661 -17.241 -1.468 6.364 1.00 0.00 N ATOM 1823 CA ASP B 661 -16.755 -0.123 6.769 1.00 0.00 C ATOM 1824 C ASP B 661 -17.006 0.909 5.673 1.00 0.00 C ATOM 1825 O ASP B 661 -16.233 1.021 4.723 1.00 0.00 O ATOM 1826 CB ASP B 661 -15.258 -0.217 7.072 1.00 0.00 C ATOM 1827 CG ASP B 661 -14.457 -0.716 5.885 1.00 0.00 C ATOM 1828 OD1 ASP B 661 -15.061 -1.315 4.970 1.00 0.00 O ATOM 1829 OD2 ASP B 661 -13.226 -0.508 5.870 1.00 0.00 O ATOM 0 HA ASP B 661 -17.300 0.202 7.656 1.00 0.00 H new ATOM 0 HB2 ASP B 661 -14.888 0.764 7.369 1.00 0.00 H new ATOM 0 HB3 ASP B 661 -15.103 -0.886 7.918 1.00 0.00 H new ATOM 1834 N LEU B 662 -18.095 1.658 5.813 1.00 0.00 N ATOM 1835 CA LEU B 662 -18.450 2.680 4.835 1.00 0.00 C ATOM 1836 C LEU B 662 -17.867 4.035 5.227 1.00 0.00 C ATOM 1837 O LEU B 662 -17.569 4.865 4.369 1.00 0.00 O ATOM 1838 CB LEU B 662 -19.970 2.783 4.702 1.00 0.00 C ATOM 1839 CG LEU B 662 -20.696 3.288 5.951 1.00 0.00 C ATOM 1840 CD1 LEU B 662 -20.956 4.783 5.849 1.00 0.00 C ATOM 1841 CD2 LEU B 662 -22.002 2.532 6.151 1.00 0.00 C ATOM 0 H LEU B 662 -18.746 1.577 6.594 1.00 0.00 H new ATOM 0 HA LEU B 662 -18.028 2.389 3.873 1.00 0.00 H new ATOM 0 HB2 LEU B 662 -20.203 3.449 3.871 1.00 0.00 H new ATOM 0 HB3 LEU B 662 -20.364 1.800 4.443 1.00 0.00 H new ATOM 0 HG LEU B 662 -20.058 3.108 6.816 1.00 0.00 H new ATOM 0 HD11 LEU B 662 -21.473 5.124 6.746 1.00 0.00 H new ATOM 0 HD12 LEU B 662 -20.008 5.312 5.753 1.00 0.00 H new ATOM 0 HD13 LEU B 662 -21.574 4.986 4.974 1.00 0.00 H new ATOM 0 HD21 LEU B 662 -22.505 2.904 7.044 1.00 0.00 H new ATOM 0 HD22 LEU B 662 -22.645 2.681 5.284 1.00 0.00 H new ATOM 0 HD23 LEU B 662 -21.793 1.469 6.269 1.00 0.00 H new ATOM 1853 N GLU B 663 -17.707 4.252 6.528 1.00 0.00 N ATOM 1854 CA GLU B 663 -17.160 5.505 7.033 1.00 0.00 C ATOM 1855 C GLU B 663 -16.974 5.446 8.547 1.00 0.00 C ATOM 1856 O GLU B 663 -17.213 6.426 9.254 1.00 0.00 O ATOM 1857 CB GLU B 663 -18.075 6.674 6.655 1.00 0.00 C ATOM 1858 CG GLU B 663 -17.469 7.609 5.621 1.00 0.00 C ATOM 1859 CD GLU B 663 -16.107 8.132 6.034 1.00 0.00 C ATOM 1860 OE1 GLU B 663 -16.043 8.922 6.999 1.00 0.00 O ATOM 1861 OE2 GLU B 663 -15.106 7.752 5.393 1.00 0.00 O ATOM 0 H GLU B 663 -17.949 3.576 7.252 1.00 0.00 H new ATOM 0 HA GLU B 663 -16.183 5.660 6.575 1.00 0.00 H new ATOM 0 HB2 GLU B 663 -19.015 6.279 6.269 1.00 0.00 H new ATOM 0 HB3 GLU B 663 -18.313 7.244 7.553 1.00 0.00 H new ATOM 0 HG2 GLU B 663 -17.379 7.084 4.670 1.00 0.00 H new ATOM 0 HG3 GLU B 663 -18.143 8.450 5.458 1.00 0.00 H new ATOM 1868 N VAL B 664 -16.543 4.289 9.038 1.00 0.00 N ATOM 1869 CA VAL B 664 -16.321 4.098 10.466 1.00 0.00 C ATOM 1870 C VAL B 664 -15.380 2.925 10.722 1.00 0.00 C ATOM 1871 O VAL B 664 -15.822 1.793 10.915 1.00 0.00 O ATOM 1872 CB VAL B 664 -17.646 3.850 11.213 1.00 0.00 C ATOM 1873 CG1 VAL B 664 -18.434 5.144 11.348 1.00 0.00 C ATOM 1874 CG2 VAL B 664 -18.469 2.787 10.501 1.00 0.00 C ATOM 0 H VAL B 664 -16.340 3.469 8.467 1.00 0.00 H new ATOM 0 HA VAL B 664 -15.867 5.015 10.842 1.00 0.00 H new ATOM 0 HB VAL B 664 -17.415 3.487 12.215 1.00 0.00 H new ATOM 0 HG11 VAL B 664 -19.366 4.949 11.878 1.00 0.00 H new ATOM 0 HG12 VAL B 664 -17.845 5.872 11.906 1.00 0.00 H new ATOM 0 HG13 VAL B 664 -18.656 5.540 10.357 1.00 0.00 H new ATOM 0 HG21 VAL B 664 -19.401 2.625 11.043 1.00 0.00 H new ATOM 0 HG22 VAL B 664 -18.692 3.118 9.487 1.00 0.00 H new ATOM 0 HG23 VAL B 664 -17.905 1.855 10.463 1.00 0.00 H new ATOM 1884 N LEU B 665 -14.082 3.205 10.723 1.00 0.00 N ATOM 1885 CA LEU B 665 -13.078 2.173 10.954 1.00 0.00 C ATOM 1886 C LEU B 665 -11.959 2.694 11.854 1.00 0.00 C ATOM 1887 O LEU B 665 -12.091 3.746 12.479 1.00 0.00 O ATOM 1888 CB LEU B 665 -12.505 1.684 9.620 1.00 0.00 C ATOM 1889 CG LEU B 665 -11.814 2.756 8.774 1.00 0.00 C ATOM 1890 CD1 LEU B 665 -10.439 3.082 9.337 1.00 0.00 C ATOM 1891 CD2 LEU B 665 -11.701 2.297 7.328 1.00 0.00 C ATOM 0 H LEU B 665 -13.700 4.138 10.567 1.00 0.00 H new ATOM 0 HA LEU B 665 -13.558 1.335 11.459 1.00 0.00 H new ATOM 0 HB2 LEU B 665 -11.790 0.886 9.821 1.00 0.00 H new ATOM 0 HB3 LEU B 665 -13.314 1.247 9.034 1.00 0.00 H new ATOM 0 HG LEU B 665 -12.420 3.662 8.806 1.00 0.00 H new ATOM 0 HD11 LEU B 665 -9.965 3.846 8.721 1.00 0.00 H new ATOM 0 HD12 LEU B 665 -10.542 3.451 10.357 1.00 0.00 H new ATOM 0 HD13 LEU B 665 -9.823 2.183 9.337 1.00 0.00 H new ATOM 0 HD21 LEU B 665 -11.208 3.070 6.738 1.00 0.00 H new ATOM 0 HD22 LEU B 665 -11.117 1.378 7.283 1.00 0.00 H new ATOM 0 HD23 LEU B 665 -12.697 2.114 6.925 1.00 0.00 H new ATOM 1903 N SER B 666 -10.858 1.950 11.914 1.00 0.00 N ATOM 1904 CA SER B 666 -9.717 2.334 12.734 1.00 0.00 C ATOM 1905 C SER B 666 -8.413 2.067 11.991 1.00 0.00 C ATOM 1906 O SER B 666 -7.744 1.062 12.230 1.00 0.00 O ATOM 1907 CB SER B 666 -9.731 1.570 14.058 1.00 0.00 C ATOM 1908 OG SER B 666 -10.427 2.293 15.058 1.00 0.00 O ATOM 0 H SER B 666 -10.733 1.076 11.403 1.00 0.00 H new ATOM 0 HA SER B 666 -9.789 3.401 12.944 1.00 0.00 H new ATOM 0 HB2 SER B 666 -10.201 0.597 13.915 1.00 0.00 H new ATOM 0 HB3 SER B 666 -8.708 1.384 14.385 1.00 0.00 H new ATOM 0 HG SER B 666 -10.423 1.782 15.894 1.00 0.00 H new ATOM 1914 N GLU B 667 -8.064 2.972 11.083 1.00 0.00 N ATOM 1915 CA GLU B 667 -6.841 2.836 10.295 1.00 0.00 C ATOM 1916 C GLU B 667 -5.647 3.481 10.984 1.00 0.00 C ATOM 1917 O GLU B 667 -4.632 3.775 10.352 1.00 0.00 O ATOM 1918 CB GLU B 667 -7.032 3.429 8.898 1.00 0.00 C ATOM 1919 CG GLU B 667 -7.232 4.936 8.897 1.00 0.00 C ATOM 1920 CD GLU B 667 -7.783 5.451 7.582 1.00 0.00 C ATOM 1921 OE1 GLU B 667 -8.513 4.694 6.907 1.00 0.00 O ATOM 1922 OE2 GLU B 667 -7.484 6.610 7.226 1.00 0.00 O ATOM 0 H GLU B 667 -8.610 3.808 10.873 1.00 0.00 H new ATOM 0 HA GLU B 667 -6.632 1.770 10.202 1.00 0.00 H new ATOM 0 HB2 GLU B 667 -6.162 3.186 8.288 1.00 0.00 H new ATOM 0 HB3 GLU B 667 -7.894 2.956 8.427 1.00 0.00 H new ATOM 0 HG2 GLU B 667 -7.913 5.209 9.703 1.00 0.00 H new ATOM 0 HG3 GLU B 667 -6.280 5.425 9.104 1.00 0.00 H new ATOM 1929 N GLU B 668 -5.778 3.690 12.278 1.00 0.00 N ATOM 1930 CA GLU B 668 -4.714 4.293 13.073 1.00 0.00 C ATOM 1931 C GLU B 668 -3.830 3.222 13.711 1.00 0.00 C ATOM 1932 O GLU B 668 -2.956 3.530 14.521 1.00 0.00 O ATOM 1933 CB GLU B 668 -5.309 5.192 14.160 1.00 0.00 C ATOM 1934 CG GLU B 668 -6.392 4.514 14.983 1.00 0.00 C ATOM 1935 CD GLU B 668 -6.506 5.089 16.381 1.00 0.00 C ATOM 1936 OE1 GLU B 668 -5.461 5.449 16.963 1.00 0.00 O ATOM 1937 OE2 GLU B 668 -7.642 5.179 16.895 1.00 0.00 O ATOM 0 H GLU B 668 -6.615 3.451 12.810 1.00 0.00 H new ATOM 0 HA GLU B 668 -4.097 4.896 12.407 1.00 0.00 H new ATOM 0 HB2 GLU B 668 -4.511 5.521 14.825 1.00 0.00 H new ATOM 0 HB3 GLU B 668 -5.724 6.086 13.694 1.00 0.00 H new ATOM 0 HG2 GLU B 668 -7.349 4.617 14.472 1.00 0.00 H new ATOM 0 HG3 GLU B 668 -6.179 3.447 15.049 1.00 0.00 H new ATOM 1944 N LEU B 669 -4.060 1.963 13.340 1.00 0.00 N ATOM 1945 CA LEU B 669 -3.283 0.852 13.876 1.00 0.00 C ATOM 1946 C LEU B 669 -2.564 0.095 12.762 1.00 0.00 C ATOM 1947 O LEU B 669 -2.172 -1.058 12.938 1.00 0.00 O ATOM 1948 CB LEU B 669 -4.192 -0.107 14.652 1.00 0.00 C ATOM 1949 CG LEU B 669 -5.618 -0.239 14.108 1.00 0.00 C ATOM 1950 CD1 LEU B 669 -5.623 -1.000 12.788 1.00 0.00 C ATOM 1951 CD2 LEU B 669 -6.515 -0.923 15.130 1.00 0.00 C ATOM 0 H LEU B 669 -4.779 1.689 12.670 1.00 0.00 H new ATOM 0 HA LEU B 669 -2.533 1.263 14.552 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -3.730 -1.094 14.659 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -4.245 0.227 15.688 1.00 0.00 H new ATOM 0 HG LEU B 669 -6.010 0.761 13.922 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -6.645 -1.082 12.419 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -5.016 -0.465 12.058 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.211 -1.998 12.942 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -7.525 -1.009 14.728 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.125 -1.917 15.348 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.538 -0.333 16.046 1.00 0.00 H new ATOM 1963 N PHE B 670 -2.399 0.747 11.614 1.00 0.00 N ATOM 1964 CA PHE B 670 -1.733 0.129 10.473 1.00 0.00 C ATOM 1965 C PHE B 670 -0.327 -0.335 10.843 1.00 0.00 C ATOM 1966 O PHE B 670 0.498 0.454 11.306 1.00 0.00 O ATOM 1967 CB PHE B 670 -1.667 1.112 9.302 1.00 0.00 C ATOM 1968 CG PHE B 670 -2.681 0.833 8.229 1.00 0.00 C ATOM 1969 CD1 PHE B 670 -4.010 1.182 8.407 1.00 0.00 C ATOM 1970 CD2 PHE B 670 -2.304 0.221 7.045 1.00 0.00 C ATOM 1971 CE1 PHE B 670 -4.945 0.926 7.421 1.00 0.00 C ATOM 1972 CE2 PHE B 670 -3.235 -0.038 6.056 1.00 0.00 C ATOM 1973 CZ PHE B 670 -4.556 0.315 6.245 1.00 0.00 C ATOM 0 H PHE B 670 -2.717 1.702 11.450 1.00 0.00 H new ATOM 0 HA PHE B 670 -2.315 -0.744 10.176 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -1.817 2.124 9.678 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -0.669 1.079 8.865 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -4.319 1.659 9.325 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -1.272 -0.057 6.893 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -5.978 1.203 7.570 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -2.929 -0.516 5.137 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.285 0.114 5.474 1.00 0.00 H new ATOM 1983 N GLU B 671 -0.062 -1.621 10.634 1.00 0.00 N ATOM 1984 CA GLU B 671 1.242 -2.193 10.941 1.00 0.00 C ATOM 1985 C GLU B 671 1.972 -2.591 9.662 1.00 0.00 C ATOM 1986 O GLU B 671 1.396 -2.569 8.575 1.00 0.00 O ATOM 1987 CB GLU B 671 1.087 -3.412 11.854 1.00 0.00 C ATOM 1988 CG GLU B 671 2.249 -3.606 12.813 1.00 0.00 C ATOM 1989 CD GLU B 671 1.897 -4.508 13.980 1.00 0.00 C ATOM 1990 OE1 GLU B 671 1.511 -5.671 13.737 1.00 0.00 O ATOM 1991 OE2 GLU B 671 2.008 -4.051 15.137 1.00 0.00 O ATOM 0 H GLU B 671 -0.735 -2.286 10.253 1.00 0.00 H new ATOM 0 HA GLU B 671 1.832 -1.436 11.457 1.00 0.00 H new ATOM 0 HB2 GLU B 671 0.166 -3.310 12.428 1.00 0.00 H new ATOM 0 HB3 GLU B 671 0.982 -4.305 11.238 1.00 0.00 H new ATOM 0 HG2 GLU B 671 3.095 -4.031 12.272 1.00 0.00 H new ATOM 0 HG3 GLU B 671 2.568 -2.635 13.192 1.00 0.00 H new ATOM 1998 N ASP B 672 3.244 -2.954 9.800 1.00 0.00 N ATOM 1999 CA ASP B 672 4.049 -3.355 8.654 1.00 0.00 C ATOM 2000 C ASP B 672 4.279 -4.863 8.649 1.00 0.00 C ATOM 2001 O ASP B 672 5.020 -5.390 9.478 1.00 0.00 O ATOM 2002 CB ASP B 672 5.393 -2.623 8.668 1.00 0.00 C ATOM 2003 CG ASP B 672 6.212 -2.943 9.903 1.00 0.00 C ATOM 2004 OD1 ASP B 672 5.611 -3.137 10.981 1.00 0.00 O ATOM 2005 OD2 ASP B 672 7.455 -2.999 9.793 1.00 0.00 O ATOM 0 H ASP B 672 3.737 -2.978 10.692 1.00 0.00 H new ATOM 0 HA ASP B 672 3.505 -3.087 7.749 1.00 0.00 H new ATOM 0 HB2 ASP B 672 5.961 -2.895 7.778 1.00 0.00 H new ATOM 0 HB3 ASP B 672 5.219 -1.548 8.619 1.00 0.00 H new ATOM 2010 N VAL B 673 3.641 -5.552 7.708 1.00 0.00 N ATOM 2011 CA VAL B 673 3.777 -6.998 7.595 1.00 0.00 C ATOM 2012 C VAL B 673 5.239 -7.395 7.396 1.00 0.00 C ATOM 2013 O VAL B 673 6.039 -6.611 6.884 1.00 0.00 O ATOM 2014 CB VAL B 673 2.940 -7.555 6.427 1.00 0.00 C ATOM 2015 CG1 VAL B 673 1.456 -7.336 6.679 1.00 0.00 C ATOM 2016 CG2 VAL B 673 3.364 -6.916 5.114 1.00 0.00 C ATOM 0 H VAL B 673 3.025 -5.131 7.013 1.00 0.00 H new ATOM 0 HA VAL B 673 3.408 -7.425 8.528 1.00 0.00 H new ATOM 0 HB VAL B 673 3.118 -8.628 6.357 1.00 0.00 H new ATOM 0 HG11 VAL B 673 0.882 -7.736 5.843 1.00 0.00 H new ATOM 0 HG12 VAL B 673 1.164 -7.846 7.597 1.00 0.00 H new ATOM 0 HG13 VAL B 673 1.257 -6.269 6.778 1.00 0.00 H new ATOM 0 HG21 VAL B 673 2.762 -7.322 4.301 1.00 0.00 H new ATOM 0 HG22 VAL B 673 3.218 -5.837 5.170 1.00 0.00 H new ATOM 0 HG23 VAL B 673 4.416 -7.130 4.928 1.00 0.00 H new ATOM 2026 N PRO B 674 5.611 -8.622 7.802 1.00 0.00 N ATOM 2027 CA PRO B 674 6.985 -9.116 7.668 1.00 0.00 C ATOM 2028 C PRO B 674 7.383 -9.347 6.214 1.00 0.00 C ATOM 2029 O PRO B 674 6.604 -9.876 5.422 1.00 0.00 O ATOM 2030 CB PRO B 674 6.964 -10.442 8.433 1.00 0.00 C ATOM 2031 CG PRO B 674 5.542 -10.879 8.396 1.00 0.00 C ATOM 2032 CD PRO B 674 4.721 -9.620 8.425 1.00 0.00 C ATOM 0 HA PRO B 674 7.712 -8.399 8.050 1.00 0.00 H new ATOM 0 HB2 PRO B 674 7.617 -11.179 7.965 1.00 0.00 H new ATOM 0 HB3 PRO B 674 7.312 -10.313 9.458 1.00 0.00 H new ATOM 0 HG2 PRO B 674 5.335 -11.459 7.497 1.00 0.00 H new ATOM 0 HG3 PRO B 674 5.308 -11.517 9.248 1.00 0.00 H new ATOM 0 HD2 PRO B 674 3.791 -9.733 7.868 1.00 0.00 H new ATOM 0 HD3 PRO B 674 4.451 -9.339 9.443 1.00 0.00 H new ATOM 2040 N THR B 675 8.605 -8.948 5.872 1.00 0.00 N ATOM 2041 CA THR B 675 9.113 -9.112 4.514 1.00 0.00 C ATOM 2042 C THR B 675 10.485 -9.779 4.528 1.00 0.00 C ATOM 2043 O THR B 675 11.449 -9.228 5.060 1.00 0.00 O ATOM 2044 CB THR B 675 9.194 -7.757 3.809 1.00 0.00 C ATOM 2045 OG1 THR B 675 9.238 -6.702 4.753 1.00 0.00 O ATOM 2046 CG2 THR B 675 8.026 -7.495 2.882 1.00 0.00 C ATOM 0 H THR B 675 9.262 -8.509 6.517 1.00 0.00 H new ATOM 0 HA THR B 675 8.422 -9.753 3.966 1.00 0.00 H new ATOM 0 HB THR B 675 10.108 -7.794 3.216 1.00 0.00 H new ATOM 0 HG1 THR B 675 9.291 -5.844 4.282 1.00 0.00 H new ATOM 0 HG21 THR B 675 8.145 -6.518 2.414 1.00 0.00 H new ATOM 0 HG22 THR B 675 7.993 -8.265 2.111 1.00 0.00 H new ATOM 0 HG23 THR B 675 7.097 -7.513 3.453 1.00 0.00 H new ATOM 2054 N LYS B 676 10.565 -10.968 3.936 1.00 0.00 N ATOM 2055 CA LYS B 676 11.818 -11.712 3.878 1.00 0.00 C ATOM 2056 C LYS B 676 11.626 -13.038 3.148 1.00 0.00 C ATOM 2057 O LYS B 676 10.498 -13.478 2.926 1.00 0.00 O ATOM 2058 CB LYS B 676 12.354 -11.966 5.290 1.00 0.00 C ATOM 2059 CG LYS B 676 13.444 -10.993 5.712 1.00 0.00 C ATOM 2060 CD LYS B 676 14.542 -11.690 6.499 1.00 0.00 C ATOM 2061 CE LYS B 676 15.042 -10.824 7.642 1.00 0.00 C ATOM 2062 NZ LYS B 676 15.875 -11.599 8.603 1.00 0.00 N ATOM 0 H LYS B 676 9.776 -11.436 3.490 1.00 0.00 H new ATOM 0 HA LYS B 676 12.543 -11.113 3.326 1.00 0.00 H new ATOM 0 HB2 LYS B 676 11.529 -11.904 5.999 1.00 0.00 H new ATOM 0 HB3 LYS B 676 12.745 -12.982 5.344 1.00 0.00 H new ATOM 0 HG2 LYS B 676 13.873 -10.520 4.828 1.00 0.00 H new ATOM 0 HG3 LYS B 676 13.009 -10.199 6.319 1.00 0.00 H new ATOM 0 HD2 LYS B 676 14.165 -12.634 6.894 1.00 0.00 H new ATOM 0 HD3 LYS B 676 15.371 -11.931 5.834 1.00 0.00 H new ATOM 0 HE2 LYS B 676 15.626 -9.996 7.241 1.00 0.00 H new ATOM 0 HE3 LYS B 676 14.191 -10.389 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 16.197 -10.972 9.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 15.310 -12.374 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 16.701 -11.993 8.108 1.00 0.00 H new ATOM 2076 N SER B 677 12.734 -13.671 2.778 1.00 0.00 N ATOM 2077 CA SER B 677 12.687 -14.946 2.073 1.00 0.00 C ATOM 2078 C SER B 677 13.709 -15.923 2.646 1.00 0.00 C ATOM 2079 O SER B 677 14.846 -15.992 2.180 1.00 0.00 O ATOM 2080 CB SER B 677 12.944 -14.739 0.580 1.00 0.00 C ATOM 2081 OG SER B 677 12.372 -15.783 -0.187 1.00 0.00 O ATOM 0 H SER B 677 13.676 -13.322 2.955 1.00 0.00 H new ATOM 0 HA SER B 677 11.691 -15.369 2.207 1.00 0.00 H new ATOM 0 HB2 SER B 677 12.527 -13.782 0.266 1.00 0.00 H new ATOM 0 HB3 SER B 677 14.017 -14.695 0.396 1.00 0.00 H new ATOM 0 HG SER B 677 12.549 -15.625 -1.138 1.00 0.00 H new ATOM 2087 N GLN B 678 13.296 -16.677 3.660 1.00 0.00 N ATOM 2088 CA GLN B 678 14.176 -17.650 4.297 1.00 0.00 C ATOM 2089 C GLN B 678 13.461 -18.983 4.494 1.00 0.00 C ATOM 2090 O GLN B 678 12.982 -19.286 5.586 1.00 0.00 O ATOM 2091 CB GLN B 678 14.667 -17.118 5.645 1.00 0.00 C ATOM 2092 CG GLN B 678 15.964 -17.756 6.113 1.00 0.00 C ATOM 2093 CD GLN B 678 17.186 -17.146 5.454 1.00 0.00 C ATOM 2094 OE1 GLN B 678 17.571 -17.536 4.353 1.00 0.00 O ATOM 2095 NE2 GLN B 678 17.803 -16.182 6.128 1.00 0.00 N ATOM 0 H GLN B 678 12.358 -16.633 4.058 1.00 0.00 H new ATOM 0 HA GLN B 678 15.033 -17.811 3.643 1.00 0.00 H new ATOM 0 HB2 GLN B 678 14.808 -16.040 5.571 1.00 0.00 H new ATOM 0 HB3 GLN B 678 13.896 -17.288 6.396 1.00 0.00 H new ATOM 0 HG2 GLN B 678 16.048 -17.649 7.194 1.00 0.00 H new ATOM 0 HG3 GLN B 678 15.936 -18.825 5.900 1.00 0.00 H new ATOM 0 HE21 GLN B 678 17.449 -15.890 7.039 1.00 0.00 H new ATOM 0 HE22 GLN B 678 18.631 -15.734 5.735 1.00 0.00 H new ATOM 2104 N ILE B 679 13.393 -19.775 3.428 1.00 0.00 N ATOM 2105 CA ILE B 679 12.737 -21.075 3.484 1.00 0.00 C ATOM 2106 C ILE B 679 13.599 -22.102 4.216 1.00 0.00 C ATOM 2107 O ILE B 679 13.097 -23.118 4.694 1.00 0.00 O ATOM 2108 CB ILE B 679 12.411 -21.600 2.070 1.00 0.00 C ATOM 2109 CG1 ILE B 679 11.642 -22.920 2.154 1.00 0.00 C ATOM 2110 CG2 ILE B 679 13.687 -21.773 1.258 1.00 0.00 C ATOM 2111 CD1 ILE B 679 10.310 -22.800 2.863 1.00 0.00 C ATOM 0 H ILE B 679 13.784 -19.539 2.516 1.00 0.00 H new ATOM 0 HA ILE B 679 11.807 -20.936 4.035 1.00 0.00 H new ATOM 0 HB ILE B 679 11.781 -20.867 1.566 1.00 0.00 H new ATOM 0 HG12 ILE B 679 11.475 -23.298 1.146 1.00 0.00 H new ATOM 0 HG13 ILE B 679 12.256 -23.656 2.673 1.00 0.00 H new ATOM 0 HG21 ILE B 679 13.438 -22.144 0.264 1.00 0.00 H new ATOM 0 HG22 ILE B 679 14.195 -20.813 1.170 1.00 0.00 H new ATOM 0 HG23 ILE B 679 14.342 -22.486 1.758 1.00 0.00 H new ATOM 0 HD11 ILE B 679 9.821 -23.774 2.885 1.00 0.00 H new ATOM 0 HD12 ILE B 679 10.471 -22.451 3.883 1.00 0.00 H new ATOM 0 HD13 ILE B 679 9.678 -22.088 2.332 1.00 0.00 H new ATOM 2123 N SER B 680 14.896 -21.828 4.299 1.00 0.00 N ATOM 2124 CA SER B 680 15.826 -22.727 4.973 1.00 0.00 C ATOM 2125 C SER B 680 16.798 -21.947 5.851 1.00 0.00 C ATOM 2126 O SER B 680 17.222 -22.492 6.892 1.00 0.00 O ATOM 2127 CB SER B 680 16.600 -23.557 3.947 1.00 0.00 C ATOM 2128 OG SER B 680 17.563 -24.380 4.579 1.00 0.00 O ATOM 0 H SER B 680 15.328 -20.991 3.908 1.00 0.00 H new ATOM 0 HA SER B 680 15.248 -23.396 5.610 1.00 0.00 H new ATOM 0 HB2 SER B 680 15.906 -24.175 3.377 1.00 0.00 H new ATOM 0 HB3 SER B 680 17.094 -22.894 3.236 1.00 0.00 H new ATOM 0 HG SER B 680 18.043 -24.901 3.902 1.00 0.00 H new TER 2134 SER B 680