USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 571 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 24 ASN : amide:sc= -2.47! C(o=-2!,f=-15!) USER MOD Set 1.2: A 26 SER OG : rot -59:sc= 0.486 USER MOD Set 2.1: A 5 THR OG1 : rot 74:sc= -0.33 USER MOD Set 2.2: A 8 GLN : amide:sc= -2.7! C(o=-3!,f=-7.9!) USER MOD Single : A 1 SER N :NH3+ 172:sc=-0.000636 (180deg=-0.0866) USER MOD Single : A 1 SER OG : rot -67:sc= 1.14 USER MOD Single : A 2 SER OG : rot 64:sc= 0.807 USER MOD Single : A 3 ASN : amide:sc= -1.77 K(o=-1.8,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -111:sc=-0.000599 (180deg=-0.0932) USER MOD Single : A 23 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 88:sc= 0.86 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -130:sc= -4.84! (180deg=-11.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -6:sc= 0.711 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl -146:sc= -1.5 (180deg=-2.78) USER MOD Single : A 53 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.91) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 61 HIS : no HE2:sc= -11.6! C(o=-12!,f=-11!) USER MOD Single : A 62 GLN : amide:sc= 0.0315 K(o=0.031,f=-0.52) USER MOD Single : A 66 SER OG : rot 113:sc= 0.0249 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.468 K(o=-0.47,f=-4.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.613 1.993 -21.235 1.00 0.00 N ATOM 2 CA SER A 1 -8.004 1.597 -20.871 1.00 0.00 C ATOM 3 C SER A 1 -8.001 0.237 -20.169 1.00 0.00 C ATOM 4 O SER A 1 -8.893 -0.568 -20.350 1.00 0.00 O ATOM 5 CB SER A 1 -8.753 1.514 -22.200 1.00 0.00 C ATOM 6 OG SER A 1 -10.013 0.890 -21.991 1.00 0.00 O ATOM 0 H1 SER A 1 -6.639 2.847 -21.828 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.070 2.188 -20.370 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.159 1.220 -21.762 1.00 0.00 H new ATOM 0 HA SER A 1 -8.469 2.306 -20.186 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.893 2.512 -22.615 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.169 0.947 -22.925 1.00 0.00 H new ATOM 0 HG SER A 1 -9.876 -0.047 -21.740 1.00 0.00 H new ATOM 14 N SER A 2 -7.004 -0.027 -19.370 1.00 0.00 N ATOM 15 CA SER A 2 -6.945 -1.336 -18.658 1.00 0.00 C ATOM 16 C SER A 2 -8.311 -1.672 -18.054 1.00 0.00 C ATOM 17 O SER A 2 -8.638 -1.254 -16.962 1.00 0.00 O ATOM 18 CB SER A 2 -5.906 -1.141 -17.556 1.00 0.00 C ATOM 19 OG SER A 2 -6.493 -0.424 -16.479 1.00 0.00 O ATOM 0 H SER A 2 -6.228 0.606 -19.179 1.00 0.00 H new ATOM 0 HA SER A 2 -6.682 -2.157 -19.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.542 -2.108 -17.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.045 -0.597 -17.944 1.00 0.00 H new ATOM 0 HG SER A 2 -7.220 -0.954 -16.091 1.00 0.00 H new ATOM 25 N ASN A 3 -9.113 -2.425 -18.759 1.00 0.00 N ATOM 26 CA ASN A 3 -10.456 -2.786 -18.224 1.00 0.00 C ATOM 27 C ASN A 3 -10.313 -3.713 -17.013 1.00 0.00 C ATOM 28 O ASN A 3 -11.183 -3.785 -16.168 1.00 0.00 O ATOM 29 CB ASN A 3 -11.157 -3.511 -19.373 1.00 0.00 C ATOM 30 CG ASN A 3 -10.308 -4.703 -19.820 1.00 0.00 C ATOM 31 OD1 ASN A 3 -9.684 -4.661 -20.861 1.00 0.00 O ATOM 32 ND2 ASN A 3 -10.258 -5.769 -19.071 1.00 0.00 N ATOM 0 H ASN A 3 -8.896 -2.805 -19.680 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.016 -1.912 -17.890 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -12.142 -3.852 -19.054 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -11.311 -2.827 -20.208 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.694 -6.569 -19.359 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.782 -5.803 -18.197 1.00 0.00 H new ATOM 39 N LEU A 4 -9.221 -4.421 -16.923 1.00 0.00 N ATOM 40 CA LEU A 4 -9.023 -5.342 -15.766 1.00 0.00 C ATOM 41 C LEU A 4 -10.217 -6.293 -15.638 1.00 0.00 C ATOM 42 O LEU A 4 -11.227 -6.129 -16.293 1.00 0.00 O ATOM 43 CB LEU A 4 -8.931 -4.428 -14.543 1.00 0.00 C ATOM 44 CG LEU A 4 -7.904 -4.992 -13.561 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.561 -4.287 -13.765 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.388 -4.758 -12.128 1.00 0.00 C ATOM 0 H LEU A 4 -8.458 -4.402 -17.599 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.134 -5.962 -15.878 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.644 -3.422 -14.848 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.905 -4.349 -14.061 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.784 -6.061 -13.736 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.829 -4.689 -13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.215 -4.451 -14.786 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.681 -3.218 -13.590 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.657 -5.160 -11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.508 -3.689 -11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.345 -5.259 -11.981 1.00 0.00 H new ATOM 58 N THR A 5 -10.110 -7.286 -14.798 1.00 0.00 N ATOM 59 CA THR A 5 -11.238 -8.246 -14.629 1.00 0.00 C ATOM 60 C THR A 5 -11.188 -8.883 -13.239 1.00 0.00 C ATOM 61 O THR A 5 -10.516 -8.402 -12.348 1.00 0.00 O ATOM 62 CB THR A 5 -11.025 -9.303 -15.713 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.221 -8.759 -16.750 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.377 -9.733 -16.284 1.00 0.00 C ATOM 0 H THR A 5 -9.290 -7.474 -14.221 1.00 0.00 H new ATOM 0 HA THR A 5 -12.210 -7.761 -14.719 1.00 0.00 H new ATOM 0 HB THR A 5 -10.525 -10.170 -15.282 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.292 -8.694 -16.444 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.223 -10.486 -17.056 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.992 -10.151 -15.487 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.881 -8.868 -16.716 1.00 0.00 H new ATOM 72 N GLU A 6 -11.893 -9.964 -13.045 1.00 0.00 N ATOM 73 CA GLU A 6 -11.885 -10.631 -11.712 1.00 0.00 C ATOM 74 C GLU A 6 -10.480 -11.145 -11.386 1.00 0.00 C ATOM 75 O GLU A 6 -9.800 -10.621 -10.527 1.00 0.00 O ATOM 76 CB GLU A 6 -12.865 -11.797 -11.846 1.00 0.00 C ATOM 77 CG GLU A 6 -14.283 -11.310 -11.538 1.00 0.00 C ATOM 78 CD GLU A 6 -15.105 -11.286 -12.828 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.121 -12.292 -13.516 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.705 -10.260 -13.106 1.00 0.00 O ATOM 0 H GLU A 6 -12.474 -10.414 -13.752 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.168 -9.951 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.821 -12.209 -12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.588 -12.599 -11.162 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.754 -11.967 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.249 -10.314 -11.097 1.00 0.00 H new ATOM 87 N GLU A 7 -10.040 -12.169 -12.066 1.00 0.00 N ATOM 88 CA GLU A 7 -8.680 -12.715 -11.795 1.00 0.00 C ATOM 89 C GLU A 7 -7.676 -11.572 -11.626 1.00 0.00 C ATOM 90 O GLU A 7 -6.864 -11.575 -10.722 1.00 0.00 O ATOM 91 CB GLU A 7 -8.336 -13.552 -13.029 1.00 0.00 C ATOM 92 CG GLU A 7 -9.459 -14.556 -13.294 1.00 0.00 C ATOM 93 CD GLU A 7 -8.865 -15.957 -13.449 1.00 0.00 C ATOM 94 OE1 GLU A 7 -8.444 -16.515 -12.448 1.00 0.00 O ATOM 95 OE2 GLU A 7 -8.840 -16.449 -14.565 1.00 0.00 O ATOM 0 H GLU A 7 -10.563 -12.651 -12.797 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.647 -13.305 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.201 -12.904 -13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.393 -14.077 -12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.175 -14.542 -12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.004 -14.279 -14.196 1.00 0.00 H new ATOM 102 N GLN A 8 -7.725 -10.593 -12.487 1.00 0.00 N ATOM 103 CA GLN A 8 -6.774 -9.450 -12.371 1.00 0.00 C ATOM 104 C GLN A 8 -6.770 -8.911 -10.939 1.00 0.00 C ATOM 105 O GLN A 8 -5.754 -8.903 -10.272 1.00 0.00 O ATOM 106 CB GLN A 8 -7.304 -8.394 -13.341 1.00 0.00 C ATOM 107 CG GLN A 8 -6.129 -7.687 -14.019 1.00 0.00 C ATOM 108 CD GLN A 8 -6.399 -7.571 -15.521 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.430 -8.001 -15.998 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.510 -7.005 -16.290 1.00 0.00 N ATOM 0 H GLN A 8 -8.382 -10.534 -13.265 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.749 -9.739 -12.604 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.942 -8.862 -14.091 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.918 -7.670 -12.806 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.989 -6.696 -13.587 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.208 -8.243 -13.846 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.644 -6.644 -15.889 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.681 -6.923 -17.292 1.00 0.00 H new ATOM 119 N ILE A 9 -7.897 -8.461 -10.461 1.00 0.00 N ATOM 120 CA ILE A 9 -7.957 -7.924 -9.072 1.00 0.00 C ATOM 121 C ILE A 9 -7.379 -8.944 -8.088 1.00 0.00 C ATOM 122 O ILE A 9 -6.718 -8.593 -7.130 1.00 0.00 O ATOM 123 CB ILE A 9 -9.444 -7.697 -8.798 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.991 -6.663 -9.784 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.628 -7.184 -7.369 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.478 -6.431 -9.508 1.00 0.00 C ATOM 0 H ILE A 9 -8.779 -8.442 -10.972 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.378 -7.008 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.983 -8.637 -8.919 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.442 -5.726 -9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.850 -7.011 -10.807 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.688 -7.022 -7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.238 -7.919 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.089 -6.244 -7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.868 -5.694 -10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.021 -7.369 -9.627 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.606 -6.064 -8.490 1.00 0.00 H new ATOM 138 N ALA A 10 -7.622 -10.206 -8.316 1.00 0.00 N ATOM 139 CA ALA A 10 -7.086 -11.248 -7.395 1.00 0.00 C ATOM 140 C ALA A 10 -5.557 -11.173 -7.344 1.00 0.00 C ATOM 141 O ALA A 10 -4.971 -10.937 -6.307 1.00 0.00 O ATOM 142 CB ALA A 10 -7.538 -12.578 -7.996 1.00 0.00 C ATOM 0 H ALA A 10 -8.169 -10.560 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.444 -11.120 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.181 -13.399 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.627 -12.605 -8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.129 -12.681 -9.001 1.00 0.00 H new ATOM 148 N GLU A 11 -4.907 -11.371 -8.459 1.00 0.00 N ATOM 149 CA GLU A 11 -3.418 -11.309 -8.474 1.00 0.00 C ATOM 150 C GLU A 11 -2.935 -10.051 -7.750 1.00 0.00 C ATOM 151 O GLU A 11 -1.911 -10.052 -7.097 1.00 0.00 O ATOM 152 CB GLU A 11 -3.039 -11.255 -9.955 1.00 0.00 C ATOM 153 CG GLU A 11 -2.722 -12.666 -10.452 1.00 0.00 C ATOM 154 CD GLU A 11 -3.205 -12.819 -11.896 1.00 0.00 C ATOM 155 OE1 GLU A 11 -3.538 -11.811 -12.498 1.00 0.00 O ATOM 156 OE2 GLU A 11 -3.235 -13.942 -12.374 1.00 0.00 O ATOM 0 H GLU A 11 -5.343 -11.573 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.963 -12.161 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.857 -10.829 -10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.175 -10.605 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.649 -12.851 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.207 -13.405 -9.815 1.00 0.00 H new ATOM 163 N PHE A 12 -3.668 -8.975 -7.858 1.00 0.00 N ATOM 164 CA PHE A 12 -3.250 -7.717 -7.174 1.00 0.00 C ATOM 165 C PHE A 12 -3.256 -7.918 -5.656 1.00 0.00 C ATOM 166 O PHE A 12 -2.303 -7.598 -4.975 1.00 0.00 O ATOM 167 CB PHE A 12 -4.295 -6.679 -7.583 1.00 0.00 C ATOM 168 CG PHE A 12 -3.953 -6.129 -8.946 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.765 -6.999 -10.026 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.823 -4.747 -9.131 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.448 -6.489 -11.291 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.506 -4.236 -10.396 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.319 -5.107 -11.475 1.00 0.00 C ATOM 0 H PHE A 12 -4.536 -8.913 -8.389 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.242 -7.409 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.286 -7.133 -7.601 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.327 -5.872 -6.851 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.865 -8.065 -9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.967 -4.075 -8.298 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.303 -7.161 -12.124 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.406 -3.170 -10.539 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.075 -4.713 -12.451 1.00 0.00 H new ATOM 183 N LYS A 13 -4.323 -8.448 -5.123 1.00 0.00 N ATOM 184 CA LYS A 13 -4.386 -8.670 -3.650 1.00 0.00 C ATOM 185 C LYS A 13 -3.170 -9.477 -3.190 1.00 0.00 C ATOM 186 O LYS A 13 -2.444 -9.073 -2.304 1.00 0.00 O ATOM 187 CB LYS A 13 -5.674 -9.461 -3.423 1.00 0.00 C ATOM 188 CG LYS A 13 -6.036 -9.434 -1.936 1.00 0.00 C ATOM 189 CD LYS A 13 -7.557 -9.373 -1.780 1.00 0.00 C ATOM 190 CE LYS A 13 -7.915 -9.303 -0.295 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.340 -10.685 0.062 1.00 0.00 N ATOM 0 H LYS A 13 -5.152 -8.736 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.380 -7.736 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.485 -9.033 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.545 -10.490 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.645 -10.322 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.576 -8.571 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.952 -8.501 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.015 -10.251 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.061 -8.986 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.715 -8.585 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.602 -10.719 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.159 -10.957 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.556 -11.346 -0.114 1.00 0.00 H new ATOM 205 N GLU A 14 -2.940 -10.614 -3.789 1.00 0.00 N ATOM 206 CA GLU A 14 -1.768 -11.442 -3.387 1.00 0.00 C ATOM 207 C GLU A 14 -0.504 -10.580 -3.363 1.00 0.00 C ATOM 208 O GLU A 14 0.333 -10.710 -2.492 1.00 0.00 O ATOM 209 CB GLU A 14 -1.660 -12.525 -4.460 1.00 0.00 C ATOM 210 CG GLU A 14 -1.265 -13.852 -3.809 1.00 0.00 C ATOM 211 CD GLU A 14 -1.995 -15.000 -4.507 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.190 -15.131 -4.297 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.348 -15.730 -5.240 1.00 0.00 O ATOM 0 H GLU A 14 -3.512 -11.004 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.883 -11.870 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.612 -12.632 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.919 -12.239 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.187 -13.997 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.517 -13.838 -2.749 1.00 0.00 H new ATOM 220 N ALA A 15 -0.363 -9.697 -4.314 1.00 0.00 N ATOM 221 CA ALA A 15 0.844 -8.822 -4.347 1.00 0.00 C ATOM 222 C ALA A 15 0.786 -7.803 -3.206 1.00 0.00 C ATOM 223 O ALA A 15 1.539 -7.877 -2.255 1.00 0.00 O ATOM 224 CB ALA A 15 0.782 -8.115 -5.701 1.00 0.00 C ATOM 0 H ALA A 15 -1.031 -9.544 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 15 1.769 -9.386 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.639 -7.450 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.800 -8.856 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.138 -7.534 -5.766 1.00 0.00 H new ATOM 230 N PHE A 16 -0.104 -6.853 -3.294 1.00 0.00 N ATOM 231 CA PHE A 16 -0.215 -5.828 -2.216 1.00 0.00 C ATOM 232 C PHE A 16 -0.097 -6.489 -0.839 1.00 0.00 C ATOM 233 O PHE A 16 0.643 -6.040 0.014 1.00 0.00 O ATOM 234 CB PHE A 16 -1.604 -5.219 -2.399 1.00 0.00 C ATOM 235 CG PHE A 16 -1.809 -4.112 -1.393 1.00 0.00 C ATOM 236 CD1 PHE A 16 -2.313 -4.409 -0.122 1.00 0.00 C ATOM 237 CD2 PHE A 16 -1.498 -2.789 -1.732 1.00 0.00 C ATOM 238 CE1 PHE A 16 -2.506 -3.384 0.812 1.00 0.00 C ATOM 239 CE2 PHE A 16 -1.691 -1.765 -0.799 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.194 -2.061 0.473 1.00 0.00 C ATOM 0 H PHE A 16 -0.760 -6.742 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 16 0.574 -5.078 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.710 -4.828 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.368 -5.986 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.553 -5.429 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.109 -2.560 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.895 -3.613 1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.452 -0.745 -1.060 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.342 -1.270 1.193 1.00 0.00 H new ATOM 250 N ALA A 17 -0.821 -7.552 -0.616 1.00 0.00 N ATOM 251 CA ALA A 17 -0.752 -8.238 0.707 1.00 0.00 C ATOM 252 C ALA A 17 0.600 -8.937 0.875 1.00 0.00 C ATOM 253 O ALA A 17 1.045 -9.191 1.977 1.00 0.00 O ATOM 254 CB ALA A 17 -1.885 -9.264 0.678 1.00 0.00 C ATOM 0 H ALA A 17 -1.457 -7.975 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.852 -7.540 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.903 -9.813 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.837 -8.751 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.725 -9.960 -0.145 1.00 0.00 H new ATOM 260 N LEU A 18 1.258 -9.250 -0.207 1.00 0.00 N ATOM 261 CA LEU A 18 2.580 -9.934 -0.104 1.00 0.00 C ATOM 262 C LEU A 18 3.578 -9.048 0.648 1.00 0.00 C ATOM 263 O LEU A 18 4.629 -9.494 1.062 1.00 0.00 O ATOM 264 CB LEU A 18 3.032 -10.146 -1.549 1.00 0.00 C ATOM 265 CG LEU A 18 3.377 -11.620 -1.764 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.460 -11.913 -3.263 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.725 -11.930 -1.110 1.00 0.00 C ATOM 0 H LEU A 18 0.939 -9.062 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 18 2.516 -10.874 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.243 -9.842 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.900 -9.523 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 18 2.603 -12.242 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.706 -12.964 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.500 -11.694 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.233 -11.290 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.971 -12.981 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.499 -11.307 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.667 -11.723 -0.041 1.00 0.00 H new ATOM 279 N PHE A 19 3.257 -7.795 0.828 1.00 0.00 N ATOM 280 CA PHE A 19 4.190 -6.885 1.554 1.00 0.00 C ATOM 281 C PHE A 19 3.453 -6.170 2.690 1.00 0.00 C ATOM 282 O PHE A 19 3.976 -5.262 3.306 1.00 0.00 O ATOM 283 CB PHE A 19 4.660 -5.879 0.504 1.00 0.00 C ATOM 284 CG PHE A 19 5.049 -6.611 -0.759 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.081 -6.898 -1.727 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.378 -7.002 -0.960 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.440 -7.577 -2.897 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.737 -7.681 -2.131 1.00 0.00 C ATOM 289 CZ PHE A 19 5.769 -7.968 -3.100 1.00 0.00 C ATOM 0 H PHE A 19 2.391 -7.363 0.505 1.00 0.00 H new ATOM 0 HA PHE A 19 5.024 -7.423 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.867 -5.162 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.509 -5.311 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.056 -6.595 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.126 -6.780 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.692 -7.799 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.762 -7.983 -2.286 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.047 -8.491 -4.003 1.00 0.00 H new ATOM 299 N ASP A 20 2.245 -6.573 2.973 1.00 0.00 N ATOM 300 CA ASP A 20 1.479 -5.915 4.070 1.00 0.00 C ATOM 301 C ASP A 20 2.137 -6.203 5.422 1.00 0.00 C ATOM 302 O ASP A 20 1.805 -7.159 6.093 1.00 0.00 O ATOM 303 CB ASP A 20 0.084 -6.541 4.008 1.00 0.00 C ATOM 304 CG ASP A 20 0.192 -8.051 4.220 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.305 -8.553 4.214 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.839 -8.682 4.385 1.00 0.00 O ATOM 0 H ASP A 20 1.755 -7.328 2.493 1.00 0.00 H new ATOM 0 HA ASP A 20 1.446 -4.831 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.558 -6.101 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.378 -6.331 3.043 1.00 0.00 H new ATOM 311 N LYS A 21 3.068 -5.383 5.826 1.00 0.00 N ATOM 312 CA LYS A 21 3.747 -5.610 7.133 1.00 0.00 C ATOM 313 C LYS A 21 2.725 -5.580 8.272 1.00 0.00 C ATOM 314 O LYS A 21 2.755 -6.400 9.168 1.00 0.00 O ATOM 315 CB LYS A 21 4.738 -4.455 7.272 1.00 0.00 C ATOM 316 CG LYS A 21 5.767 -4.527 6.141 1.00 0.00 C ATOM 317 CD LYS A 21 6.963 -5.369 6.591 1.00 0.00 C ATOM 318 CE LYS A 21 6.957 -6.704 5.843 1.00 0.00 C ATOM 319 NZ LYS A 21 7.458 -6.382 4.478 1.00 0.00 N ATOM 0 H LYS A 21 3.388 -4.565 5.307 1.00 0.00 H new ATOM 0 HA LYS A 21 4.243 -6.579 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.210 -3.502 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.240 -4.506 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.315 -4.965 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.096 -3.524 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.892 -4.834 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.916 -5.542 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.597 -7.436 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.955 -7.131 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.684 -6.485 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.810 -5.403 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.231 -7.032 4.229 1.00 0.00 H new ATOM 333 N ASP A 22 1.819 -4.640 8.245 1.00 0.00 N ATOM 334 CA ASP A 22 0.796 -4.559 9.327 1.00 0.00 C ATOM 335 C ASP A 22 -0.119 -5.786 9.283 1.00 0.00 C ATOM 336 O ASP A 22 -0.760 -6.128 10.257 1.00 0.00 O ATOM 337 CB ASP A 22 0.002 -3.287 9.025 1.00 0.00 C ATOM 338 CG ASP A 22 0.487 -2.155 9.934 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.455 -2.335 11.140 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.881 -1.127 9.408 1.00 0.00 O ATOM 0 H ASP A 22 1.743 -3.925 7.521 1.00 0.00 H new ATOM 0 HA ASP A 22 1.245 -4.534 10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.127 -3.007 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.062 -3.464 9.182 1.00 0.00 H new ATOM 345 N ASN A 23 -0.182 -6.450 8.161 1.00 0.00 N ATOM 346 CA ASN A 23 -1.055 -7.655 8.057 1.00 0.00 C ATOM 347 C ASN A 23 -2.526 -7.256 8.214 1.00 0.00 C ATOM 348 O ASN A 23 -3.353 -8.049 8.621 1.00 0.00 O ATOM 349 CB ASN A 23 -0.619 -8.561 9.208 1.00 0.00 C ATOM 350 CG ASN A 23 -0.219 -9.930 8.658 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.903 -10.484 7.819 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.867 -10.505 9.096 1.00 0.00 N ATOM 0 H ASN A 23 0.332 -6.211 7.313 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.962 -8.151 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.220 -8.112 9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.431 -8.670 9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.142 -11.418 8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.441 -10.041 9.800 1.00 0.00 H new ATOM 359 N ASN A 24 -2.858 -6.036 7.894 1.00 0.00 N ATOM 360 CA ASN A 24 -4.274 -5.589 8.025 1.00 0.00 C ATOM 361 C ASN A 24 -4.832 -5.194 6.655 1.00 0.00 C ATOM 362 O ASN A 24 -5.949 -4.729 6.540 1.00 0.00 O ATOM 363 CB ASN A 24 -4.223 -4.376 8.954 1.00 0.00 C ATOM 364 CG ASN A 24 -3.349 -3.289 8.326 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.926 -3.412 7.193 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.059 -2.221 9.019 1.00 0.00 N ATOM 0 H ASN A 24 -2.210 -5.329 7.547 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.921 -6.374 8.417 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.229 -3.994 9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.821 -4.665 9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.477 -1.490 8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.414 -2.118 9.970 1.00 0.00 H new ATOM 373 N GLY A 25 -4.065 -5.377 5.616 1.00 0.00 N ATOM 374 CA GLY A 25 -4.552 -5.012 4.255 1.00 0.00 C ATOM 375 C GLY A 25 -3.992 -3.644 3.861 1.00 0.00 C ATOM 376 O GLY A 25 -4.538 -2.960 3.019 1.00 0.00 O ATOM 0 H GLY A 25 -3.122 -5.764 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.241 -5.766 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.642 -4.988 4.242 1.00 0.00 H new ATOM 380 N SER A 26 -2.908 -3.240 4.463 1.00 0.00 N ATOM 381 CA SER A 26 -2.314 -1.916 4.121 1.00 0.00 C ATOM 382 C SER A 26 -0.792 -2.035 3.997 1.00 0.00 C ATOM 383 O SER A 26 -0.148 -2.717 4.770 1.00 0.00 O ATOM 384 CB SER A 26 -2.688 -1.002 5.286 1.00 0.00 C ATOM 385 OG SER A 26 -1.977 -1.408 6.449 1.00 0.00 O ATOM 0 H SER A 26 -2.407 -3.769 5.177 1.00 0.00 H new ATOM 0 HA SER A 26 -2.680 -1.532 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.449 0.033 5.042 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.762 -1.047 5.468 1.00 0.00 H new ATOM 0 HG SER A 26 -2.194 -2.341 6.656 1.00 0.00 H new ATOM 391 N ILE A 27 -0.213 -1.377 3.032 1.00 0.00 N ATOM 392 CA ILE A 27 1.267 -1.453 2.859 1.00 0.00 C ATOM 393 C ILE A 27 1.868 -0.045 2.816 1.00 0.00 C ATOM 394 O ILE A 27 1.196 0.918 2.504 1.00 0.00 O ATOM 395 CB ILE A 27 1.473 -2.164 1.521 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.135 -1.205 0.375 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.558 -3.388 1.445 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.385 -1.899 -0.965 1.00 0.00 C ATOM 0 H ILE A 27 -0.699 -0.789 2.355 1.00 0.00 H new ATOM 0 HA ILE A 27 1.752 -1.980 3.680 1.00 0.00 H new ATOM 0 HB ILE A 27 2.512 -2.481 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.093 -0.891 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.745 -0.304 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.706 -3.894 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.797 -4.072 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.481 -3.071 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.144 -1.216 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.433 -2.190 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.756 -2.786 -1.038 1.00 0.00 H new ATOM 410 N SER A 28 3.129 0.080 3.122 1.00 0.00 N ATOM 411 CA SER A 28 3.771 1.425 3.091 1.00 0.00 C ATOM 412 C SER A 28 4.072 1.826 1.644 1.00 0.00 C ATOM 413 O SER A 28 4.217 0.988 0.777 1.00 0.00 O ATOM 414 CB SER A 28 5.067 1.265 3.885 1.00 0.00 C ATOM 415 OG SER A 28 4.775 1.318 5.275 1.00 0.00 O ATOM 0 H SER A 28 3.742 -0.689 3.392 1.00 0.00 H new ATOM 0 HA SER A 28 3.132 2.201 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.544 0.317 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.770 2.054 3.619 1.00 0.00 H new ATOM 0 HG SER A 28 5.604 1.214 5.788 1.00 0.00 H new ATOM 421 N SER A 29 4.166 3.099 1.376 1.00 0.00 N ATOM 422 CA SER A 29 4.457 3.544 -0.017 1.00 0.00 C ATOM 423 C SER A 29 5.642 2.761 -0.586 1.00 0.00 C ATOM 424 O SER A 29 5.590 2.248 -1.686 1.00 0.00 O ATOM 425 CB SER A 29 4.802 5.028 0.105 1.00 0.00 C ATOM 426 OG SER A 29 5.866 5.336 -0.786 1.00 0.00 O ATOM 0 H SER A 29 4.054 3.849 2.058 1.00 0.00 H new ATOM 0 HA SER A 29 3.615 3.376 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.929 5.637 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.090 5.263 1.130 1.00 0.00 H new ATOM 0 HG SER A 29 5.500 5.565 -1.666 1.00 0.00 H new ATOM 432 N SER A 30 6.712 2.662 0.156 1.00 0.00 N ATOM 433 CA SER A 30 7.898 1.910 -0.345 1.00 0.00 C ATOM 434 C SER A 30 7.491 0.491 -0.751 1.00 0.00 C ATOM 435 O SER A 30 8.134 -0.141 -1.563 1.00 0.00 O ATOM 436 CB SER A 30 8.869 1.873 0.834 1.00 0.00 C ATOM 437 OG SER A 30 10.077 1.243 0.428 1.00 0.00 O ATOM 0 H SER A 30 6.816 3.069 1.086 1.00 0.00 H new ATOM 0 HA SER A 30 8.342 2.376 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.073 2.885 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.425 1.330 1.669 1.00 0.00 H new ATOM 0 HG SER A 30 10.703 1.219 1.182 1.00 0.00 H new ATOM 443 N GLU A 31 6.426 -0.012 -0.189 1.00 0.00 N ATOM 444 CA GLU A 31 5.977 -1.390 -0.543 1.00 0.00 C ATOM 445 C GLU A 31 5.123 -1.359 -1.813 1.00 0.00 C ATOM 446 O GLU A 31 5.164 -2.266 -2.623 1.00 0.00 O ATOM 447 CB GLU A 31 5.144 -1.854 0.653 1.00 0.00 C ATOM 448 CG GLU A 31 5.945 -1.657 1.942 1.00 0.00 C ATOM 449 CD GLU A 31 6.953 -2.795 2.097 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.646 -3.082 1.135 1.00 0.00 O ATOM 451 OE2 GLU A 31 7.015 -3.363 3.175 1.00 0.00 O ATOM 0 H GLU A 31 5.848 0.470 0.499 1.00 0.00 H new ATOM 0 HA GLU A 31 6.814 -2.059 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.213 -1.290 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.875 -2.904 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.464 -0.699 1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.273 -1.633 2.800 1.00 0.00 H new ATOM 458 N LEU A 32 4.350 -0.323 -1.996 1.00 0.00 N ATOM 459 CA LEU A 32 3.497 -0.237 -3.216 1.00 0.00 C ATOM 460 C LEU A 32 4.366 -0.333 -4.473 1.00 0.00 C ATOM 461 O LEU A 32 3.986 -0.932 -5.459 1.00 0.00 O ATOM 462 CB LEU A 32 2.817 1.129 -3.135 1.00 0.00 C ATOM 463 CG LEU A 32 2.063 1.400 -4.437 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.043 0.287 -4.677 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.336 2.743 -4.334 1.00 0.00 C ATOM 0 H LEU A 32 4.272 0.466 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 32 2.770 -1.047 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.128 1.155 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.560 1.908 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 32 2.770 1.430 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.505 0.480 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.559 -0.670 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.336 0.256 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.798 2.938 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.630 2.712 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.062 3.538 -4.162 1.00 0.00 H new ATOM 477 N ALA A 33 5.535 0.247 -4.444 1.00 0.00 N ATOM 478 CA ALA A 33 6.425 0.180 -5.636 1.00 0.00 C ATOM 479 C ALA A 33 6.695 -1.281 -5.999 1.00 0.00 C ATOM 480 O ALA A 33 6.670 -1.661 -7.153 1.00 0.00 O ATOM 481 CB ALA A 33 7.717 0.877 -5.209 1.00 0.00 C ATOM 0 H ALA A 33 5.911 0.763 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 33 5.984 0.653 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.426 0.868 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.499 1.908 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.149 0.353 -4.356 1.00 0.00 H new ATOM 487 N THR A 34 6.944 -2.106 -5.018 1.00 0.00 N ATOM 488 CA THR A 34 7.206 -3.544 -5.306 1.00 0.00 C ATOM 489 C THR A 34 5.952 -4.192 -5.899 1.00 0.00 C ATOM 490 O THR A 34 5.939 -4.614 -7.037 1.00 0.00 O ATOM 491 CB THR A 34 7.543 -4.168 -3.952 1.00 0.00 C ATOM 492 OG1 THR A 34 8.793 -3.666 -3.499 1.00 0.00 O ATOM 493 CG2 THR A 34 7.623 -5.687 -4.099 1.00 0.00 C ATOM 0 H THR A 34 6.977 -1.847 -4.032 1.00 0.00 H new ATOM 0 HA THR A 34 8.012 -3.683 -6.026 1.00 0.00 H new ATOM 0 HB THR A 34 6.768 -3.915 -3.229 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.010 -4.064 -2.630 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.863 -6.134 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.664 -6.070 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.399 -5.942 -4.820 1.00 0.00 H new ATOM 501 N VAL A 35 4.894 -4.268 -5.136 1.00 0.00 N ATOM 502 CA VAL A 35 3.642 -4.882 -5.663 1.00 0.00 C ATOM 503 C VAL A 35 3.376 -4.372 -7.082 1.00 0.00 C ATOM 504 O VAL A 35 2.875 -5.085 -7.930 1.00 0.00 O ATOM 505 CB VAL A 35 2.538 -4.415 -4.712 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.802 -4.967 -3.312 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.523 -2.886 -4.660 1.00 0.00 C ATOM 0 H VAL A 35 4.843 -3.933 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 35 3.699 -5.969 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 35 1.574 -4.778 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.015 -4.634 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.814 -6.056 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.766 -4.605 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.737 -2.553 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.487 -2.525 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.334 -2.490 -5.658 1.00 0.00 H new ATOM 517 N MET A 36 3.712 -3.137 -7.341 1.00 0.00 N ATOM 518 CA MET A 36 3.485 -2.564 -8.699 1.00 0.00 C ATOM 519 C MET A 36 4.237 -3.379 -9.756 1.00 0.00 C ATOM 520 O MET A 36 3.645 -3.941 -10.655 1.00 0.00 O ATOM 521 CB MET A 36 4.039 -1.140 -8.620 1.00 0.00 C ATOM 522 CG MET A 36 3.501 -0.314 -9.788 1.00 0.00 C ATOM 523 SD MET A 36 1.693 -0.270 -9.717 1.00 0.00 S ATOM 524 CE MET A 36 1.403 0.044 -11.475 1.00 0.00 C ATOM 0 H MET A 36 4.135 -2.498 -6.668 1.00 0.00 H new ATOM 0 HA MET A 36 2.433 -2.579 -8.984 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.753 -0.680 -7.674 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.128 -1.161 -8.648 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.902 0.699 -9.746 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.828 -0.747 -10.734 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.717 0.884 -11.586 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.348 0.280 -11.963 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.968 -0.843 -11.936 1.00 0.00 H new ATOM 534 N ARG A 37 5.537 -3.443 -9.659 1.00 0.00 N ATOM 535 CA ARG A 37 6.322 -4.219 -10.664 1.00 0.00 C ATOM 536 C ARG A 37 6.087 -5.722 -10.478 1.00 0.00 C ATOM 537 O ARG A 37 6.359 -6.515 -11.357 1.00 0.00 O ATOM 538 CB ARG A 37 7.782 -3.866 -10.383 1.00 0.00 C ATOM 539 CG ARG A 37 7.970 -2.351 -10.481 1.00 0.00 C ATOM 540 CD ARG A 37 9.340 -1.968 -9.918 1.00 0.00 C ATOM 541 NE ARG A 37 9.850 -0.912 -10.835 1.00 0.00 N ATOM 542 CZ ARG A 37 10.770 -0.081 -10.426 1.00 0.00 C ATOM 543 NH1 ARG A 37 11.990 -0.501 -10.233 1.00 0.00 N ATOM 544 NH2 ARG A 37 10.468 1.171 -10.209 1.00 0.00 N ATOM 0 H ARG A 37 6.090 -2.993 -8.929 1.00 0.00 H new ATOM 0 HA ARG A 37 6.033 -3.979 -11.687 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.067 -4.215 -9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.433 -4.371 -11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.890 -2.031 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.182 -1.840 -9.928 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.258 -1.598 -8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.011 -2.827 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 37 9.481 -0.838 -11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.225 -1.479 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.708 0.149 -9.913 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.514 1.499 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.186 1.821 -9.889 1.00 0.00 H new ATOM 558 N SER A 38 5.589 -6.121 -9.339 1.00 0.00 N ATOM 559 CA SER A 38 5.343 -7.571 -9.098 1.00 0.00 C ATOM 560 C SER A 38 4.199 -8.072 -9.982 1.00 0.00 C ATOM 561 O SER A 38 4.203 -9.198 -10.438 1.00 0.00 O ATOM 562 CB SER A 38 4.960 -7.668 -7.622 1.00 0.00 C ATOM 563 OG SER A 38 5.864 -8.542 -6.959 1.00 0.00 O ATOM 0 H SER A 38 5.342 -5.505 -8.565 1.00 0.00 H new ATOM 0 HA SER A 38 6.215 -8.180 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.987 -6.680 -7.162 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.940 -8.038 -7.523 1.00 0.00 H new ATOM 0 HG SER A 38 5.622 -8.605 -6.011 1.00 0.00 H new ATOM 569 N LEU A 39 3.221 -7.247 -10.229 1.00 0.00 N ATOM 570 CA LEU A 39 2.079 -7.683 -11.084 1.00 0.00 C ATOM 571 C LEU A 39 2.575 -8.015 -12.495 1.00 0.00 C ATOM 572 O LEU A 39 1.991 -8.818 -13.195 1.00 0.00 O ATOM 573 CB LEU A 39 1.120 -6.492 -11.118 1.00 0.00 C ATOM 574 CG LEU A 39 0.282 -6.466 -9.837 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.803 -5.395 -9.959 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.378 -7.832 -9.629 1.00 0.00 C ATOM 0 H LEU A 39 3.161 -6.291 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 39 1.594 -8.579 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.682 -5.563 -11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.468 -6.563 -11.989 1.00 0.00 H new ATOM 0 HG LEU A 39 0.927 -6.239 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.400 -5.376 -9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.337 -4.421 -10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.446 -5.624 -10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.974 -7.813 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.022 -8.058 -10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.392 -8.599 -9.543 1.00 0.00 H new ATOM 588 N GLY A 40 3.648 -7.403 -12.917 1.00 0.00 N ATOM 589 CA GLY A 40 4.178 -7.688 -14.280 1.00 0.00 C ATOM 590 C GLY A 40 4.451 -6.373 -15.013 1.00 0.00 C ATOM 591 O GLY A 40 4.281 -6.273 -16.211 1.00 0.00 O ATOM 0 H GLY A 40 4.179 -6.719 -12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.095 -8.273 -14.209 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.461 -8.286 -14.842 1.00 0.00 H new ATOM 595 N LEU A 41 4.875 -5.363 -14.303 1.00 0.00 N ATOM 596 CA LEU A 41 5.159 -4.056 -14.964 1.00 0.00 C ATOM 597 C LEU A 41 6.450 -3.451 -14.406 1.00 0.00 C ATOM 598 O LEU A 41 7.066 -3.995 -13.511 1.00 0.00 O ATOM 599 CB LEU A 41 3.960 -3.167 -14.630 1.00 0.00 C ATOM 600 CG LEU A 41 3.582 -3.341 -13.158 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.127 -1.998 -12.585 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.442 -4.355 -13.044 1.00 0.00 C ATOM 0 H LEU A 41 5.037 -5.385 -13.296 1.00 0.00 H new ATOM 0 HA LEU A 41 5.296 -4.161 -16.040 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.201 -2.124 -14.832 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.114 -3.427 -15.266 1.00 0.00 H new ATOM 0 HG LEU A 41 4.447 -3.699 -12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.858 -2.122 -11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.937 -1.274 -12.668 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.261 -1.639 -13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.171 -4.481 -11.996 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.578 -3.995 -13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.765 -5.313 -13.453 1.00 0.00 H new ATOM 614 N SER A 42 6.864 -2.330 -14.928 1.00 0.00 N ATOM 615 CA SER A 42 8.114 -1.690 -14.428 1.00 0.00 C ATOM 616 C SER A 42 8.218 -0.255 -14.949 1.00 0.00 C ATOM 617 O SER A 42 8.813 -0.008 -15.979 1.00 0.00 O ATOM 618 CB SER A 42 9.248 -2.548 -14.988 1.00 0.00 C ATOM 619 OG SER A 42 9.280 -3.791 -14.301 1.00 0.00 O ATOM 0 H SER A 42 6.391 -1.829 -15.680 1.00 0.00 H new ATOM 0 HA SER A 42 8.144 -1.635 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.101 -2.713 -16.055 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.201 -2.031 -14.873 1.00 0.00 H new ATOM 0 HG SER A 42 8.634 -3.774 -13.564 1.00 0.00 H new ATOM 625 N PRO A 43 7.629 0.647 -14.212 1.00 0.00 N ATOM 626 CA PRO A 43 7.649 2.081 -14.598 1.00 0.00 C ATOM 627 C PRO A 43 9.049 2.669 -14.399 1.00 0.00 C ATOM 628 O PRO A 43 10.031 1.955 -14.337 1.00 0.00 O ATOM 629 CB PRO A 43 6.647 2.721 -13.641 1.00 0.00 C ATOM 630 CG PRO A 43 6.608 1.809 -12.457 1.00 0.00 C ATOM 631 CD PRO A 43 6.897 0.420 -12.963 1.00 0.00 C ATOM 0 HA PRO A 43 7.397 2.248 -15.645 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.960 3.725 -13.356 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.663 2.812 -14.102 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.346 2.110 -11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.633 1.848 -11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.492 -0.150 -12.249 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.979 -0.142 -13.134 1.00 0.00 H new ATOM 639 N SER A 44 9.149 3.967 -14.299 1.00 0.00 N ATOM 640 CA SER A 44 10.487 4.598 -14.105 1.00 0.00 C ATOM 641 C SER A 44 10.434 5.614 -12.962 1.00 0.00 C ATOM 642 O SER A 44 9.377 5.949 -12.465 1.00 0.00 O ATOM 643 CB SER A 44 10.788 5.298 -15.430 1.00 0.00 C ATOM 644 OG SER A 44 10.622 4.375 -16.497 1.00 0.00 O ATOM 0 H SER A 44 8.364 4.617 -14.343 1.00 0.00 H new ATOM 0 HA SER A 44 11.254 3.868 -13.844 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.121 6.150 -15.564 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.806 5.687 -15.426 1.00 0.00 H new ATOM 0 HG SER A 44 10.813 4.821 -17.348 1.00 0.00 H new ATOM 650 N GLU A 45 11.566 6.106 -12.539 1.00 0.00 N ATOM 651 CA GLU A 45 11.580 7.099 -11.428 1.00 0.00 C ATOM 652 C GLU A 45 10.479 8.141 -11.637 1.00 0.00 C ATOM 653 O GLU A 45 9.554 8.247 -10.856 1.00 0.00 O ATOM 654 CB GLU A 45 12.960 7.755 -11.500 1.00 0.00 C ATOM 655 CG GLU A 45 13.982 6.875 -10.777 1.00 0.00 C ATOM 656 CD GLU A 45 15.335 7.587 -10.740 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.678 8.218 -11.727 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.006 7.491 -9.726 1.00 0.00 O ATOM 0 H GLU A 45 12.482 5.863 -12.915 1.00 0.00 H new ATOM 0 HA GLU A 45 11.399 6.636 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.255 7.893 -12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.928 8.744 -11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.643 6.664 -9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.078 5.917 -11.287 1.00 0.00 H new ATOM 665 N ALA A 46 10.569 8.913 -12.686 1.00 0.00 N ATOM 666 CA ALA A 46 9.526 9.945 -12.944 1.00 0.00 C ATOM 667 C ALA A 46 8.134 9.362 -12.689 1.00 0.00 C ATOM 668 O ALA A 46 7.365 9.882 -11.905 1.00 0.00 O ATOM 669 CB ALA A 46 9.691 10.318 -14.417 1.00 0.00 C ATOM 0 H ALA A 46 11.320 8.873 -13.375 1.00 0.00 H new ATOM 0 HA ALA A 46 9.632 10.812 -12.292 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.955 11.076 -14.685 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.694 10.711 -14.583 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.541 9.433 -15.035 1.00 0.00 H new ATOM 675 N GLU A 47 7.806 8.282 -13.345 1.00 0.00 N ATOM 676 CA GLU A 47 6.465 7.664 -13.138 1.00 0.00 C ATOM 677 C GLU A 47 6.215 7.439 -11.645 1.00 0.00 C ATOM 678 O GLU A 47 5.104 7.552 -11.166 1.00 0.00 O ATOM 679 CB GLU A 47 6.525 6.328 -13.880 1.00 0.00 C ATOM 680 CG GLU A 47 5.263 6.156 -14.728 1.00 0.00 C ATOM 681 CD GLU A 47 4.274 5.251 -13.992 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.707 4.524 -13.114 1.00 0.00 O ATOM 683 OE2 GLU A 47 3.099 5.303 -14.319 1.00 0.00 O ATOM 0 H GLU A 47 8.407 7.802 -14.014 1.00 0.00 H new ATOM 0 HA GLU A 47 5.656 8.296 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.410 6.293 -14.515 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.611 5.508 -13.167 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.808 7.127 -14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.518 5.723 -15.695 1.00 0.00 H new ATOM 690 N VAL A 48 7.242 7.120 -10.905 1.00 0.00 N ATOM 691 CA VAL A 48 7.066 6.888 -9.442 1.00 0.00 C ATOM 692 C VAL A 48 6.780 8.214 -8.731 1.00 0.00 C ATOM 693 O VAL A 48 5.881 8.314 -7.922 1.00 0.00 O ATOM 694 CB VAL A 48 8.395 6.301 -8.970 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.216 5.687 -7.580 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.852 5.218 -9.949 1.00 0.00 C ATOM 0 H VAL A 48 8.196 7.010 -11.250 1.00 0.00 H new ATOM 0 HA VAL A 48 6.230 6.223 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 48 9.145 7.091 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.164 5.268 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.891 6.457 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.466 4.898 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.800 4.799 -9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.102 4.428 -9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.980 5.654 -10.940 1.00 0.00 H new ATOM 706 N ASN A 49 7.541 9.232 -9.029 1.00 0.00 N ATOM 707 CA ASN A 49 7.313 10.551 -8.371 1.00 0.00 C ATOM 708 C ASN A 49 5.834 10.935 -8.460 1.00 0.00 C ATOM 709 O ASN A 49 5.242 11.390 -7.501 1.00 0.00 O ATOM 710 CB ASN A 49 8.173 11.540 -9.159 1.00 0.00 C ATOM 711 CG ASN A 49 7.825 12.968 -8.737 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.856 13.292 -7.566 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.494 13.842 -9.647 1.00 0.00 N ATOM 0 H ASN A 49 8.310 9.208 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 49 7.575 10.537 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.230 11.343 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.004 11.414 -10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.261 14.797 -9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.468 13.570 -10.630 1.00 0.00 H new ATOM 720 N ASP A 50 5.232 10.754 -9.604 1.00 0.00 N ATOM 721 CA ASP A 50 3.792 11.109 -9.752 1.00 0.00 C ATOM 722 C ASP A 50 2.916 10.054 -9.072 1.00 0.00 C ATOM 723 O ASP A 50 1.892 10.361 -8.493 1.00 0.00 O ATOM 724 CB ASP A 50 3.541 11.123 -11.260 1.00 0.00 C ATOM 725 CG ASP A 50 3.503 12.568 -11.759 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.566 13.130 -11.965 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.412 13.088 -11.926 1.00 0.00 O ATOM 0 H ASP A 50 5.675 10.376 -10.442 1.00 0.00 H new ATOM 0 HA ASP A 50 3.552 12.067 -9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.327 10.570 -11.775 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.599 10.624 -11.487 1.00 0.00 H new ATOM 732 N LEU A 51 3.309 8.811 -9.135 1.00 0.00 N ATOM 733 CA LEU A 51 2.499 7.738 -8.492 1.00 0.00 C ATOM 734 C LEU A 51 2.212 8.096 -7.031 1.00 0.00 C ATOM 735 O LEU A 51 1.076 8.117 -6.599 1.00 0.00 O ATOM 736 CB LEU A 51 3.367 6.481 -8.575 1.00 0.00 C ATOM 737 CG LEU A 51 2.834 5.563 -9.675 1.00 0.00 C ATOM 738 CD1 LEU A 51 2.627 6.368 -10.958 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.842 4.442 -9.935 1.00 0.00 C ATOM 0 H LEU A 51 4.157 8.492 -9.604 1.00 0.00 H new ATOM 0 HA LEU A 51 1.535 7.600 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.401 6.754 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.362 5.959 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 51 1.883 5.133 -9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.247 5.712 -11.742 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.909 7.168 -10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.577 6.799 -11.274 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.463 3.787 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.792 4.873 -10.250 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.990 3.866 -9.021 1.00 0.00 H new ATOM 751 N MET A 52 3.233 8.376 -6.268 1.00 0.00 N ATOM 752 CA MET A 52 3.017 8.733 -4.836 1.00 0.00 C ATOM 753 C MET A 52 2.333 10.099 -4.728 1.00 0.00 C ATOM 754 O MET A 52 1.377 10.269 -3.997 1.00 0.00 O ATOM 755 CB MET A 52 4.418 8.786 -4.226 1.00 0.00 C ATOM 756 CG MET A 52 4.894 7.365 -3.919 1.00 0.00 C ATOM 757 SD MET A 52 4.166 6.809 -2.357 1.00 0.00 S ATOM 758 CE MET A 52 3.091 5.529 -3.053 1.00 0.00 C ATOM 0 H MET A 52 4.206 8.373 -6.573 1.00 0.00 H new ATOM 0 HA MET A 52 2.376 8.016 -4.324 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.109 9.271 -4.916 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.407 9.382 -3.314 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.607 6.691 -4.726 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.982 7.340 -3.855 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.172 5.470 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.850 5.778 -4.086 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.603 4.567 -3.022 1.00 0.00 H new ATOM 768 N ASN A 53 2.813 11.072 -5.452 1.00 0.00 N ATOM 769 CA ASN A 53 2.189 12.425 -5.391 1.00 0.00 C ATOM 770 C ASN A 53 0.672 12.318 -5.567 1.00 0.00 C ATOM 771 O ASN A 53 -0.072 13.194 -5.174 1.00 0.00 O ATOM 772 CB ASN A 53 2.811 13.202 -6.552 1.00 0.00 C ATOM 773 CG ASN A 53 4.110 13.862 -6.088 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.775 13.365 -5.201 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.502 14.970 -6.655 1.00 0.00 N ATOM 0 H ASN A 53 3.610 10.989 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 53 2.362 12.916 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.010 12.531 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.114 13.959 -6.911 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.367 15.419 -6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.944 15.387 -7.400 1.00 0.00 H new ATOM 782 N GLU A 54 0.208 11.248 -6.154 1.00 0.00 N ATOM 783 CA GLU A 54 -1.260 11.085 -6.355 1.00 0.00 C ATOM 784 C GLU A 54 -1.905 10.496 -5.098 1.00 0.00 C ATOM 785 O GLU A 54 -3.105 10.320 -5.029 1.00 0.00 O ATOM 786 CB GLU A 54 -1.394 10.119 -7.532 1.00 0.00 C ATOM 787 CG GLU A 54 -2.382 10.688 -8.552 1.00 0.00 C ATOM 788 CD GLU A 54 -2.093 10.090 -9.930 1.00 0.00 C ATOM 789 OE1 GLU A 54 -0.938 10.079 -10.320 1.00 0.00 O ATOM 790 OE2 GLU A 54 -3.034 9.654 -10.573 1.00 0.00 O ATOM 0 H GLU A 54 0.782 10.480 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.758 12.035 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.422 9.963 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.738 9.147 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.404 10.459 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.297 11.774 -8.590 1.00 0.00 H new ATOM 797 N ILE A 55 -1.117 10.187 -4.104 1.00 0.00 N ATOM 798 CA ILE A 55 -1.687 9.609 -2.854 1.00 0.00 C ATOM 799 C ILE A 55 -0.822 9.993 -1.650 1.00 0.00 C ATOM 800 O ILE A 55 -1.320 10.397 -0.619 1.00 0.00 O ATOM 801 CB ILE A 55 -1.663 8.096 -3.071 1.00 0.00 C ATOM 802 CG1 ILE A 55 -2.071 7.390 -1.775 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.251 7.659 -3.466 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.791 5.891 -1.900 1.00 0.00 C ATOM 0 H ILE A 55 -0.104 10.310 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.693 9.976 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.360 7.831 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.518 7.805 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.129 7.558 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.234 6.580 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.041 8.162 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.447 7.923 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.081 5.388 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.364 5.482 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.728 5.733 -2.080 1.00 0.00 H new ATOM 816 N ASP A 56 0.471 9.869 -1.773 1.00 0.00 N ATOM 817 CA ASP A 56 1.367 10.227 -0.637 1.00 0.00 C ATOM 818 C ASP A 56 0.979 11.594 -0.067 1.00 0.00 C ATOM 819 O ASP A 56 0.884 12.571 -0.783 1.00 0.00 O ATOM 820 CB ASP A 56 2.771 10.276 -1.239 1.00 0.00 C ATOM 821 CG ASP A 56 3.778 10.672 -0.158 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.473 11.573 0.607 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.836 10.066 -0.111 1.00 0.00 O ATOM 0 H ASP A 56 0.946 9.535 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 56 1.300 9.511 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.033 9.304 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.801 10.993 -2.059 1.00 0.00 H new ATOM 828 N VAL A 57 0.755 11.670 1.217 1.00 0.00 N ATOM 829 CA VAL A 57 0.374 12.974 1.831 1.00 0.00 C ATOM 830 C VAL A 57 1.457 13.435 2.809 1.00 0.00 C ATOM 831 O VAL A 57 1.479 14.571 3.237 1.00 0.00 O ATOM 832 CB VAL A 57 -0.934 12.696 2.571 1.00 0.00 C ATOM 833 CG1 VAL A 57 -1.601 14.021 2.947 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.872 11.894 1.667 1.00 0.00 C ATOM 0 H VAL A 57 0.819 10.886 1.867 1.00 0.00 H new ATOM 0 HA VAL A 57 0.262 13.763 1.088 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.723 12.125 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.534 13.822 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.934 14.594 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.811 14.592 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.805 11.696 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.081 12.465 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.399 10.949 1.399 1.00 0.00 H new ATOM 844 N ASP A 58 2.357 12.559 3.166 1.00 0.00 N ATOM 845 CA ASP A 58 3.439 12.947 4.117 1.00 0.00 C ATOM 846 C ASP A 58 4.662 12.047 3.920 1.00 0.00 C ATOM 847 O ASP A 58 4.699 11.218 3.033 1.00 0.00 O ATOM 848 CB ASP A 58 2.838 12.739 5.507 1.00 0.00 C ATOM 849 CG ASP A 58 3.434 13.759 6.478 1.00 0.00 C ATOM 850 OD1 ASP A 58 4.280 14.529 6.054 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.034 13.753 7.631 1.00 0.00 O ATOM 0 H ASP A 58 2.390 11.593 2.841 1.00 0.00 H new ATOM 0 HA ASP A 58 3.773 13.974 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.754 12.850 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.042 11.727 5.856 1.00 0.00 H new ATOM 856 N GLY A 59 5.664 12.202 4.742 1.00 0.00 N ATOM 857 CA GLY A 59 6.882 11.355 4.602 1.00 0.00 C ATOM 858 C GLY A 59 6.469 9.902 4.360 1.00 0.00 C ATOM 859 O GLY A 59 6.804 9.311 3.353 1.00 0.00 O ATOM 0 H GLY A 59 5.692 12.879 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.493 11.713 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.492 11.425 5.502 1.00 0.00 H new ATOM 863 N ASN A 60 5.744 9.322 5.276 1.00 0.00 N ATOM 864 CA ASN A 60 5.310 7.906 5.099 1.00 0.00 C ATOM 865 C ASN A 60 3.808 7.776 5.366 1.00 0.00 C ATOM 866 O ASN A 60 3.152 8.724 5.749 1.00 0.00 O ATOM 867 CB ASN A 60 6.110 7.114 6.133 1.00 0.00 C ATOM 868 CG ASN A 60 7.452 6.694 5.529 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.314 7.520 5.301 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.666 5.436 5.257 1.00 0.00 N ATOM 0 H ASN A 60 5.433 9.767 6.140 1.00 0.00 H new ATOM 0 HA ASN A 60 5.484 7.544 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.274 7.721 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.549 6.234 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.557 5.146 4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.943 4.743 5.448 1.00 0.00 H new ATOM 877 N HIS A 61 3.259 6.608 5.167 1.00 0.00 N ATOM 878 CA HIS A 61 1.801 6.420 5.410 1.00 0.00 C ATOM 879 C HIS A 61 1.409 4.959 5.178 1.00 0.00 C ATOM 880 O HIS A 61 2.207 4.155 4.739 1.00 0.00 O ATOM 881 CB HIS A 61 1.108 7.330 4.394 1.00 0.00 C ATOM 882 CG HIS A 61 1.240 6.739 3.017 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.171 5.756 2.721 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.565 6.982 1.846 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.032 5.445 1.420 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.067 6.163 0.838 1.00 0.00 N ATOM 0 H HIS A 61 3.757 5.777 4.847 1.00 0.00 H new ATOM 0 HA HIS A 61 1.519 6.665 6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.055 7.445 4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.553 8.325 4.418 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.840 5.344 3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.234 7.699 1.725 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.628 4.704 0.908 1.00 0.00 H new ATOM 894 N GLN A 62 0.186 4.608 5.467 1.00 0.00 N ATOM 895 CA GLN A 62 -0.255 3.200 5.262 1.00 0.00 C ATOM 896 C GLN A 62 -1.198 3.113 4.058 1.00 0.00 C ATOM 897 O GLN A 62 -2.351 3.489 4.132 1.00 0.00 O ATOM 898 CB GLN A 62 -0.990 2.821 6.548 1.00 0.00 C ATOM 899 CG GLN A 62 0.021 2.653 7.683 1.00 0.00 C ATOM 900 CD GLN A 62 -0.711 2.666 9.026 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.534 3.524 9.275 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.446 1.742 9.909 1.00 0.00 N ATOM 0 H GLN A 62 -0.527 5.236 5.837 1.00 0.00 H new ATOM 0 HA GLN A 62 0.581 2.531 5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.716 3.592 6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.546 1.895 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.566 1.717 7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.757 3.456 7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.245 1.021 9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.930 1.741 10.807 1.00 0.00 H new ATOM 911 N ILE A 63 -0.717 2.622 2.949 1.00 0.00 N ATOM 912 CA ILE A 63 -1.586 2.514 1.742 1.00 0.00 C ATOM 913 C ILE A 63 -2.648 1.431 1.948 1.00 0.00 C ATOM 914 O ILE A 63 -2.440 0.472 2.664 1.00 0.00 O ATOM 915 CB ILE A 63 -0.638 2.124 0.608 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.391 3.238 0.400 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.437 1.924 -0.681 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.311 2.874 -0.766 1.00 0.00 C ATOM 0 H ILE A 63 0.240 2.291 2.826 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.117 3.442 1.531 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.126 1.197 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.115 4.181 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.977 3.380 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.760 1.646 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.172 1.132 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.949 2.851 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.043 3.668 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.828 1.940 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.719 2.754 -1.673 1.00 0.00 H new ATOM 930 N GLU A 64 -3.786 1.578 1.327 1.00 0.00 N ATOM 931 CA GLU A 64 -4.861 0.557 1.488 1.00 0.00 C ATOM 932 C GLU A 64 -5.076 -0.195 0.172 1.00 0.00 C ATOM 933 O GLU A 64 -5.281 0.401 -0.868 1.00 0.00 O ATOM 934 CB GLU A 64 -6.111 1.353 1.862 1.00 0.00 C ATOM 935 CG GLU A 64 -6.745 0.750 3.117 1.00 0.00 C ATOM 936 CD GLU A 64 -7.436 -0.567 2.758 1.00 0.00 C ATOM 937 OE1 GLU A 64 -6.746 -1.569 2.666 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.642 -0.552 2.580 1.00 0.00 O ATOM 0 H GLU A 64 -4.018 2.360 0.715 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.613 -0.189 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.851 2.397 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.825 1.338 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.982 0.577 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.466 1.447 3.543 1.00 0.00 H new ATOM 945 N PHE A 65 -5.031 -1.499 0.208 1.00 0.00 N ATOM 946 CA PHE A 65 -5.232 -2.287 -1.043 1.00 0.00 C ATOM 947 C PHE A 65 -6.389 -1.700 -1.857 1.00 0.00 C ATOM 948 O PHE A 65 -6.378 -1.723 -3.072 1.00 0.00 O ATOM 949 CB PHE A 65 -5.572 -3.700 -0.569 1.00 0.00 C ATOM 950 CG PHE A 65 -5.745 -4.603 -1.766 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.726 -4.702 -2.721 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.923 -5.343 -1.921 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.885 -5.540 -3.831 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.083 -6.180 -3.032 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.064 -6.279 -3.987 1.00 0.00 C ATOM 0 H PHE A 65 -4.864 -2.053 1.048 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.352 -2.273 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.779 -4.080 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.486 -3.686 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.817 -4.132 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.709 -5.268 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.098 -5.617 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.993 -6.749 -3.152 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.187 -6.925 -4.844 1.00 0.00 H new ATOM 965 N SER A 66 -7.385 -1.176 -1.199 1.00 0.00 N ATOM 966 CA SER A 66 -8.541 -0.590 -1.937 1.00 0.00 C ATOM 967 C SER A 66 -8.078 0.595 -2.790 1.00 0.00 C ATOM 968 O SER A 66 -7.863 0.469 -3.979 1.00 0.00 O ATOM 969 CB SER A 66 -9.508 -0.122 -0.850 1.00 0.00 C ATOM 970 OG SER A 66 -10.087 -1.257 -0.219 1.00 0.00 O ATOM 0 H SER A 66 -7.450 -1.128 -0.182 1.00 0.00 H new ATOM 0 HA SER A 66 -9.005 -1.307 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.981 0.488 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.287 0.504 -1.285 1.00 0.00 H new ATOM 0 HG SER A 66 -9.782 -1.305 0.711 1.00 0.00 H new ATOM 976 N GLU A 67 -7.923 1.744 -2.191 1.00 0.00 N ATOM 977 CA GLU A 67 -7.475 2.935 -2.968 1.00 0.00 C ATOM 978 C GLU A 67 -6.340 2.550 -3.922 1.00 0.00 C ATOM 979 O GLU A 67 -6.310 2.962 -5.064 1.00 0.00 O ATOM 980 CB GLU A 67 -6.979 3.930 -1.918 1.00 0.00 C ATOM 981 CG GLU A 67 -5.947 3.248 -1.016 1.00 0.00 C ATOM 982 CD GLU A 67 -5.641 4.149 0.181 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.581 4.661 0.768 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.472 4.313 0.491 1.00 0.00 O ATOM 0 H GLU A 67 -8.087 1.910 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.275 3.353 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.535 4.798 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.816 4.293 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.328 2.286 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.034 3.048 -1.577 1.00 0.00 H new ATOM 991 N PHE A 68 -5.407 1.762 -3.460 1.00 0.00 N ATOM 992 CA PHE A 68 -4.276 1.352 -4.342 1.00 0.00 C ATOM 993 C PHE A 68 -4.799 0.958 -5.725 1.00 0.00 C ATOM 994 O PHE A 68 -4.487 1.585 -6.719 1.00 0.00 O ATOM 995 CB PHE A 68 -3.647 0.147 -3.644 1.00 0.00 C ATOM 996 CG PHE A 68 -2.724 -0.567 -4.602 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.075 0.151 -5.615 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.516 -1.946 -4.480 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.220 -0.510 -6.504 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.661 -2.607 -5.368 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.012 -1.889 -6.381 1.00 0.00 C ATOM 0 H PHE A 68 -5.379 1.385 -2.513 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.557 2.157 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.093 0.472 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.425 -0.533 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.235 1.215 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.016 -2.500 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.720 0.044 -7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.501 -3.671 -5.273 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.352 -2.399 -7.067 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.592 -0.076 -5.799 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.132 -0.509 -7.119 1.00 0.00 C ATOM 1013 C LEU A 69 -7.207 0.470 -7.597 1.00 0.00 C ATOM 1014 O LEU A 69 -7.357 0.713 -8.779 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.737 -1.890 -6.864 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.697 -2.968 -7.172 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.369 -2.606 -6.504 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.184 -4.315 -6.634 1.00 0.00 C ATOM 0 H LEU A 69 -5.889 -0.640 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.364 -0.537 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.063 -1.970 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.620 -2.033 -7.487 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.555 -3.035 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.629 -3.375 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.020 -1.647 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.511 -2.538 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.443 -5.084 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.327 -4.246 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.129 -4.576 -7.109 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.955 1.034 -6.690 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.018 1.999 -7.096 1.00 0.00 C ATOM 1032 C ALA A 70 -8.412 3.135 -7.923 1.00 0.00 C ATOM 1033 O ALA A 70 -9.082 3.764 -8.717 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.588 2.535 -5.782 1.00 0.00 C ATOM 0 H ALA A 70 -7.877 0.870 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.786 1.533 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.379 3.254 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.996 1.709 -5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.796 3.024 -5.215 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.148 3.403 -7.742 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.498 4.499 -8.517 1.00 0.00 C ATOM 1042 C LEU A 71 -5.567 3.914 -9.582 1.00 0.00 C ATOM 1043 O LEU A 71 -5.290 4.535 -10.588 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.699 5.294 -7.484 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.625 6.280 -6.771 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.883 5.550 -6.297 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.899 6.877 -5.562 1.00 0.00 C ATOM 0 H LEU A 71 -6.536 2.911 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.224 5.123 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.245 4.617 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.886 5.831 -7.972 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.905 7.077 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.542 6.254 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.401 5.123 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.603 4.753 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.558 7.580 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.620 6.079 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.002 7.398 -5.897 1.00 0.00 H new ATOM 1059 N MET A 72 -5.081 2.722 -9.368 1.00 0.00 N ATOM 1060 CA MET A 72 -4.168 2.097 -10.368 1.00 0.00 C ATOM 1061 C MET A 72 -4.926 1.796 -11.663 1.00 0.00 C ATOM 1062 O MET A 72 -4.354 1.750 -12.734 1.00 0.00 O ATOM 1063 CB MET A 72 -3.691 0.801 -9.713 1.00 0.00 C ATOM 1064 CG MET A 72 -2.219 0.939 -9.315 1.00 0.00 C ATOM 1065 SD MET A 72 -1.991 2.462 -8.363 1.00 0.00 S ATOM 1066 CE MET A 72 -0.580 3.103 -9.296 1.00 0.00 C ATOM 0 H MET A 72 -5.276 2.153 -8.544 1.00 0.00 H new ATOM 0 HA MET A 72 -3.337 2.751 -10.632 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.297 0.581 -8.834 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.815 -0.034 -10.402 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.909 0.078 -8.723 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.591 0.957 -10.205 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.267 4.057 -8.872 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.245 2.393 -9.241 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.867 3.245 -10.338 1.00 0.00 H new ATOM 1076 N SER A 73 -6.212 1.591 -11.575 1.00 0.00 N ATOM 1077 CA SER A 73 -7.006 1.292 -12.801 1.00 0.00 C ATOM 1078 C SER A 73 -7.062 2.524 -13.710 1.00 0.00 C ATOM 1079 O SER A 73 -7.541 2.464 -14.825 1.00 0.00 O ATOM 1080 CB SER A 73 -8.403 0.938 -12.292 1.00 0.00 C ATOM 1081 OG SER A 73 -9.145 2.134 -12.091 1.00 0.00 O ATOM 0 H SER A 73 -6.747 1.618 -10.707 1.00 0.00 H new ATOM 0 HA SER A 73 -6.569 0.484 -13.388 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.913 0.296 -13.010 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.332 0.379 -11.359 1.00 0.00 H new ATOM 0 HG SER A 73 -10.042 1.912 -11.766 1.00 0.00 H new ATOM 1087 N ARG A 74 -6.575 3.641 -13.241 1.00 0.00 N ATOM 1088 CA ARG A 74 -6.601 4.874 -14.079 1.00 0.00 C ATOM 1089 C ARG A 74 -5.469 4.838 -15.109 1.00 0.00 C ATOM 1090 O ARG A 74 -5.585 5.372 -16.194 1.00 0.00 O ATOM 1091 CB ARG A 74 -6.395 6.026 -13.095 1.00 0.00 C ATOM 1092 CG ARG A 74 -7.615 6.949 -13.126 1.00 0.00 C ATOM 1093 CD ARG A 74 -7.157 8.394 -13.331 1.00 0.00 C ATOM 1094 NE ARG A 74 -7.528 9.097 -12.071 1.00 0.00 N ATOM 1095 CZ ARG A 74 -6.779 10.065 -11.619 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -5.488 9.899 -11.522 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -7.320 11.197 -11.261 1.00 0.00 N ATOM 0 H ARG A 74 -6.161 3.753 -12.316 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.533 4.975 -14.636 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.247 5.636 -12.088 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.496 6.585 -13.356 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.288 6.652 -13.930 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.174 6.862 -12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.083 8.446 -13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.647 8.845 -14.194 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.368 8.822 -11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.065 9.013 -11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.902 10.655 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.329 11.326 -11.334 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.734 11.953 -10.908 1.00 0.00 H new ATOM 1111 N GLN A 75 -4.372 4.213 -14.777 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.234 4.143 -15.737 1.00 0.00 C ATOM 1113 C GLN A 75 -2.279 3.012 -15.346 1.00 0.00 C ATOM 1114 O GLN A 75 -1.080 3.196 -15.273 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.535 5.499 -15.622 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.909 5.635 -14.232 1.00 0.00 C ATOM 1117 CD GLN A 75 -2.518 6.841 -13.514 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -3.359 7.526 -14.060 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -2.124 7.130 -12.304 1.00 0.00 N ATOM 0 H GLN A 75 -4.215 3.748 -13.883 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.565 3.940 -16.755 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.766 5.590 -16.389 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.250 6.304 -15.791 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.082 4.728 -13.653 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.829 5.757 -14.318 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.418 6.554 -11.846 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.523 7.932 -11.816 1.00 0.00 H new ATOM 1128 N LEU A 76 -2.802 1.844 -15.092 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.923 0.702 -14.705 1.00 0.00 C ATOM 1130 C LEU A 76 -0.756 0.577 -15.687 1.00 0.00 C ATOM 1131 O LEU A 76 0.395 0.546 -15.298 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.823 -0.533 -14.779 1.00 0.00 C ATOM 1133 CG LEU A 76 -3.068 -1.072 -13.370 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -4.374 -1.868 -13.347 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -1.908 -1.985 -12.966 1.00 0.00 C ATOM 0 H LEU A 76 -3.798 1.630 -15.135 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.490 0.831 -13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.771 -0.277 -15.252 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.356 -1.300 -15.397 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.138 -0.240 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.548 -2.252 -12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.201 -1.219 -13.636 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.305 -2.701 -14.047 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.081 -2.370 -11.961 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.839 -2.817 -13.667 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.977 -1.419 -12.982 1.00 0.00 H new ATOM 1147 N LYS A 77 -1.042 0.504 -16.958 1.00 0.00 N ATOM 1148 CA LYS A 77 0.052 0.381 -17.963 1.00 0.00 C ATOM 1149 C LYS A 77 -0.011 1.543 -18.958 1.00 0.00 C ATOM 1150 O LYS A 77 -0.611 1.369 -20.006 1.00 0.00 O ATOM 1151 CB LYS A 77 -0.211 -0.948 -18.673 1.00 0.00 C ATOM 1152 CG LYS A 77 1.104 -1.718 -18.818 1.00 0.00 C ATOM 1153 CD LYS A 77 1.962 -1.064 -19.902 1.00 0.00 C ATOM 1154 CE LYS A 77 3.180 -0.397 -19.258 1.00 0.00 C ATOM 1155 NZ LYS A 77 4.085 -0.069 -20.394 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.543 2.587 -18.654 1.00 0.00 O ATOM 0 H LYS A 77 -1.986 0.524 -17.344 1.00 0.00 H new ATOM 0 HA LYS A 77 1.040 0.410 -17.504 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.930 -1.539 -18.106 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.649 -0.768 -19.655 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.641 -1.724 -17.869 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.902 -2.757 -19.077 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.285 -1.812 -20.626 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.376 -0.325 -20.448 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.894 0.500 -18.709 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.666 -1.065 -18.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.944 0.392 -20.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.346 -0.943 -20.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.598 0.574 -21.051 1.00 0.00 H new TER 1170 LYS A 77