USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 Single : A 1 MET CE :methyl -157:sc= -0.982 (180deg=-1.69) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.95! C(o=-2!,f=-1.9!) USER MOD Single : A 3 HIS : no HE2:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= 1.29 (180deg=0.92) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 23 THR OG1 : rot -26:sc= 0.0796 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -30:sc= 0.0188 USER MOD Single : A 28 SER OG : rot -78:sc= 1.05 USER MOD Single : A 33 ASN : amide:sc= 0.713 K(o=0.71,f=-0.17) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.898 X(o=-0.9,f=-0.83) USER MOD Single : A 47 THR OG1 : rot 77:sc= 0.681 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 58:sc= 0.0407 USER MOD Single : A 63 SER OG : rot 180:sc= -0.248 USER MOD Single : A 65 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 66 THR OG1 : rot -165:sc= 1.32 USER MOD Single : A 69 THR OG1 : rot 34:sc= 0.815 USER MOD Single : A 72 SER OG : rot -160:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc=-0.00756 X(o=-0.0076,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 0.665 (180deg=0.576) USER MOD Single : A 82 SER OG : rot 90:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.197 -9.091 -2.871 1.00 0.00 N ATOM 2 CA MET A 1 -7.348 -8.530 -3.940 1.00 0.00 C ATOM 3 C MET A 1 -5.895 -8.915 -3.645 1.00 0.00 C ATOM 4 O MET A 1 -5.298 -8.328 -2.764 1.00 0.00 O ATOM 5 CB MET A 1 -7.517 -6.983 -4.020 1.00 0.00 C ATOM 6 CG MET A 1 -7.084 -6.388 -5.357 1.00 0.00 C ATOM 7 SD MET A 1 -8.101 -7.043 -6.704 1.00 0.00 S ATOM 8 CE MET A 1 -7.526 -6.108 -8.115 1.00 0.00 C ATOM 0 H1 MET A 1 -9.191 -8.842 -3.050 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.097 -10.126 -2.855 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.902 -8.701 -1.953 1.00 0.00 H new ATOM 0 HA MET A 1 -7.644 -8.934 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.562 -6.731 -3.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.937 -6.521 -3.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.171 -5.302 -5.323 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.035 -6.618 -5.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.299 -6.098 -8.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.305 -5.086 -7.808 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.623 -6.570 -8.514 1.00 0.00 H new ATOM 18 N GLN A 2 -5.361 -9.866 -4.428 1.00 0.00 N ATOM 19 CA GLN A 2 -4.133 -10.668 -4.132 1.00 0.00 C ATOM 20 C GLN A 2 -2.985 -9.910 -3.406 1.00 0.00 C ATOM 21 O GLN A 2 -2.464 -10.421 -2.408 1.00 0.00 O ATOM 22 CB GLN A 2 -3.592 -11.373 -5.434 1.00 0.00 C ATOM 23 CG GLN A 2 -3.632 -10.511 -6.720 1.00 0.00 C ATOM 24 CD GLN A 2 -5.009 -10.519 -7.426 1.00 0.00 C ATOM 25 OE1 GLN A 2 -5.694 -11.540 -7.471 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.464 -9.370 -7.869 1.00 0.00 N ATOM 0 H GLN A 2 -5.779 -10.118 -5.324 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.470 -11.413 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.563 -11.684 -5.257 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.174 -12.279 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.368 -9.484 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.874 -10.874 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.878 -8.537 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.404 -9.311 -8.261 1.00 0.00 H new ATOM 35 N HIS A 3 -2.620 -8.696 -3.874 1.00 0.00 N ATOM 36 CA HIS A 3 -1.471 -7.940 -3.328 1.00 0.00 C ATOM 37 C HIS A 3 -1.708 -7.437 -1.886 1.00 0.00 C ATOM 38 O HIS A 3 -0.730 -7.249 -1.159 1.00 0.00 O ATOM 39 CB HIS A 3 -1.083 -6.756 -4.250 1.00 0.00 C ATOM 40 CG HIS A 3 -0.170 -7.119 -5.404 1.00 0.00 C ATOM 41 ND1 HIS A 3 1.118 -7.552 -5.215 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.340 -7.079 -6.744 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.689 -7.758 -6.373 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.831 -7.477 -7.321 1.00 0.00 N ATOM 0 H HIS A 3 -3.107 -8.217 -4.632 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.642 -8.646 -3.290 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.994 -6.314 -4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.596 -5.990 -3.647 1.00 0.00 H new ATOM 0 HD1 HIS A 3 1.563 -7.692 -4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.240 -6.785 -7.264 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.701 -8.103 -6.523 1.00 0.00 H new ATOM 53 N LEU A 4 -2.996 -7.234 -1.489 1.00 0.00 N ATOM 54 CA LEU A 4 -3.383 -6.731 -0.133 1.00 0.00 C ATOM 55 C LEU A 4 -2.693 -7.505 1.011 1.00 0.00 C ATOM 56 O LEU A 4 -2.441 -6.940 2.067 1.00 0.00 O ATOM 57 CB LEU A 4 -4.951 -6.740 0.084 1.00 0.00 C ATOM 58 CG LEU A 4 -5.606 -7.951 0.876 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.071 -7.644 1.247 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.522 -9.307 0.122 1.00 0.00 C ATOM 0 H LEU A 4 -3.796 -7.413 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.034 -5.699 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.217 -5.821 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.421 -6.696 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.015 -8.060 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.494 -8.490 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.108 -6.755 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.647 -7.469 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.989 -10.087 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.041 -9.225 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.477 -9.561 -0.054 1.00 0.00 H new ATOM 72 N GLU A 5 -2.415 -8.804 0.760 1.00 0.00 N ATOM 73 CA GLU A 5 -1.826 -9.729 1.738 1.00 0.00 C ATOM 74 C GLU A 5 -0.401 -9.292 2.113 1.00 0.00 C ATOM 75 O GLU A 5 -0.072 -9.160 3.298 1.00 0.00 O ATOM 76 CB GLU A 5 -1.829 -11.176 1.166 1.00 0.00 C ATOM 77 CG GLU A 5 -1.247 -12.255 2.105 1.00 0.00 C ATOM 78 CD GLU A 5 -2.079 -12.437 3.381 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.028 -13.244 3.369 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.818 -11.751 4.388 1.00 0.00 O ATOM 0 H GLU A 5 -2.599 -9.240 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.429 -9.710 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.854 -11.449 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.262 -11.183 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.193 -13.204 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.227 -11.983 2.376 1.00 0.00 H new ATOM 87 N ALA A 6 0.427 -9.044 1.085 1.00 0.00 N ATOM 88 CA ALA A 6 1.824 -8.635 1.273 1.00 0.00 C ATOM 89 C ALA A 6 1.911 -7.161 1.688 1.00 0.00 C ATOM 90 O ALA A 6 2.874 -6.772 2.349 1.00 0.00 O ATOM 91 CB ALA A 6 2.645 -8.911 0.016 1.00 0.00 C ATOM 0 H ALA A 6 0.147 -9.121 0.107 1.00 0.00 H new ATOM 0 HA ALA A 6 2.248 -9.230 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.677 -8.600 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.619 -9.977 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.226 -8.353 -0.822 1.00 0.00 H new ATOM 97 N VAL A 7 0.895 -6.347 1.320 1.00 0.00 N ATOM 98 CA VAL A 7 0.829 -4.938 1.748 1.00 0.00 C ATOM 99 C VAL A 7 0.599 -4.872 3.277 1.00 0.00 C ATOM 100 O VAL A 7 1.338 -4.188 3.981 1.00 0.00 O ATOM 101 CB VAL A 7 -0.299 -4.114 1.021 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.314 -2.653 1.533 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.152 -4.145 -0.523 1.00 0.00 C ATOM 0 H VAL A 7 0.116 -6.643 0.731 1.00 0.00 H new ATOM 0 HA VAL A 7 1.782 -4.485 1.474 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.250 -4.589 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.099 -2.096 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.505 -2.645 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.651 -2.187 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.954 -3.562 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.811 -3.719 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.210 -5.176 -0.873 1.00 0.00 H new ATOM 113 N ARG A 8 -0.405 -5.630 3.771 1.00 0.00 N ATOM 114 CA ARG A 8 -0.769 -5.656 5.212 1.00 0.00 C ATOM 115 C ARG A 8 0.301 -6.389 6.015 1.00 0.00 C ATOM 116 O ARG A 8 0.433 -6.163 7.213 1.00 0.00 O ATOM 117 CB ARG A 8 -2.166 -6.283 5.463 1.00 0.00 C ATOM 118 CG ARG A 8 -2.306 -7.772 5.092 1.00 0.00 C ATOM 119 CD ARG A 8 -3.751 -8.289 5.254 1.00 0.00 C ATOM 120 NE ARG A 8 -3.952 -9.602 4.609 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.149 -10.204 4.431 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.263 -9.693 4.947 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.222 -11.335 3.749 1.00 0.00 N ATOM 0 H ARG A 8 -0.984 -6.237 3.191 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.824 -4.620 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.412 -6.166 6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.906 -5.716 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.985 -7.918 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.640 -8.364 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.990 -8.367 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.444 -7.566 4.824 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.124 -10.092 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.225 -8.830 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.156 -10.164 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.376 -11.751 3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.124 -11.791 3.613 1.00 0.00 H new ATOM 137 N ASN A 9 1.049 -7.283 5.336 1.00 0.00 N ATOM 138 CA ASN A 9 2.238 -7.940 5.906 1.00 0.00 C ATOM 139 C ASN A 9 3.291 -6.878 6.273 1.00 0.00 C ATOM 140 O ASN A 9 3.785 -6.834 7.407 1.00 0.00 O ATOM 141 CB ASN A 9 2.799 -8.970 4.882 1.00 0.00 C ATOM 142 CG ASN A 9 4.164 -9.568 5.242 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.257 -10.559 5.963 1.00 0.00 O ATOM 144 ND2 ASN A 9 5.229 -8.983 4.713 1.00 0.00 N ATOM 0 H ASN A 9 0.844 -7.568 4.378 1.00 0.00 H new ATOM 0 HA ASN A 9 1.970 -8.476 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.080 -9.783 4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.877 -8.486 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.160 -9.354 4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.117 -8.162 4.119 1.00 0.00 H new ATOM 151 N ILE A 10 3.563 -6.005 5.289 1.00 0.00 N ATOM 152 CA ILE A 10 4.497 -4.873 5.420 1.00 0.00 C ATOM 153 C ILE A 10 4.040 -3.890 6.507 1.00 0.00 C ATOM 154 O ILE A 10 4.839 -3.476 7.335 1.00 0.00 O ATOM 155 CB ILE A 10 4.650 -4.126 4.037 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.418 -5.027 3.023 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.319 -2.739 4.188 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.536 -4.457 1.625 1.00 0.00 C ATOM 0 H ILE A 10 3.134 -6.066 4.366 1.00 0.00 H new ATOM 0 HA ILE A 10 5.466 -5.274 5.718 1.00 0.00 H new ATOM 0 HB ILE A 10 3.649 -3.939 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.420 -5.212 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.916 -5.993 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.401 -2.266 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.714 -2.113 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.314 -2.860 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.085 -5.155 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.540 -4.299 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.068 -3.506 1.663 1.00 0.00 H new ATOM 170 N LEU A 11 2.746 -3.531 6.482 1.00 0.00 N ATOM 171 CA LEU A 11 2.150 -2.600 7.462 1.00 0.00 C ATOM 172 C LEU A 11 2.230 -3.188 8.881 1.00 0.00 C ATOM 173 O LEU A 11 2.581 -2.497 9.839 1.00 0.00 O ATOM 174 CB LEU A 11 0.681 -2.294 7.073 1.00 0.00 C ATOM 175 CG LEU A 11 0.472 -1.612 5.683 1.00 0.00 C ATOM 176 CD1 LEU A 11 -1.010 -1.615 5.287 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.056 -0.176 5.654 1.00 0.00 C ATOM 0 H LEU A 11 2.084 -3.875 5.786 1.00 0.00 H new ATOM 0 HA LEU A 11 2.713 -1.667 7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.120 -3.228 7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.248 -1.652 7.840 1.00 0.00 H new ATOM 0 HG LEU A 11 1.020 -2.199 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.128 -1.135 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.369 -2.643 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.587 -1.070 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.891 0.264 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.563 0.433 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.126 -0.214 5.859 1.00 0.00 H new ATOM 189 N GLY A 12 1.932 -4.493 8.982 1.00 0.00 N ATOM 190 CA GLY A 12 1.997 -5.222 10.240 1.00 0.00 C ATOM 191 C GLY A 12 3.409 -5.390 10.761 1.00 0.00 C ATOM 192 O GLY A 12 3.604 -5.622 11.957 1.00 0.00 O ATOM 0 H GLY A 12 1.640 -5.064 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.401 -4.698 10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.547 -6.206 10.106 1.00 0.00 H new ATOM 196 N ASP A 13 4.399 -5.292 9.853 1.00 0.00 N ATOM 197 CA ASP A 13 5.827 -5.359 10.202 1.00 0.00 C ATOM 198 C ASP A 13 6.365 -3.983 10.652 1.00 0.00 C ATOM 199 O ASP A 13 7.024 -3.879 11.690 1.00 0.00 O ATOM 200 CB ASP A 13 6.632 -5.896 8.983 1.00 0.00 C ATOM 201 CG ASP A 13 8.125 -6.134 9.284 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.447 -7.063 10.049 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.982 -5.384 8.776 1.00 0.00 O ATOM 0 H ASP A 13 4.228 -5.164 8.856 1.00 0.00 H new ATOM 0 HA ASP A 13 5.948 -6.041 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.184 -6.831 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.545 -5.187 8.160 1.00 0.00 H new ATOM 208 N VAL A 14 6.048 -2.933 9.870 1.00 0.00 N ATOM 209 CA VAL A 14 6.571 -1.569 10.087 1.00 0.00 C ATOM 210 C VAL A 14 5.884 -0.917 11.296 1.00 0.00 C ATOM 211 O VAL A 14 6.547 -0.549 12.267 1.00 0.00 O ATOM 212 CB VAL A 14 6.389 -0.657 8.810 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.842 0.797 9.079 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.135 -1.237 7.588 1.00 0.00 C ATOM 0 H VAL A 14 5.421 -3.006 9.069 1.00 0.00 H new ATOM 0 HA VAL A 14 7.639 -1.660 10.283 1.00 0.00 H new ATOM 0 HB VAL A 14 5.323 -0.642 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.702 1.394 8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.248 1.219 9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.895 0.804 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.988 -0.584 6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.199 -1.308 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.745 -2.229 7.361 1.00 0.00 H new ATOM 224 N LEU A 15 4.540 -0.812 11.235 1.00 0.00 N ATOM 225 CA LEU A 15 3.738 -0.128 12.282 1.00 0.00 C ATOM 226 C LEU A 15 3.512 -1.057 13.482 1.00 0.00 C ATOM 227 O LEU A 15 3.066 -0.605 14.543 1.00 0.00 O ATOM 228 CB LEU A 15 2.358 0.364 11.743 1.00 0.00 C ATOM 229 CG LEU A 15 2.360 1.395 10.560 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.507 2.414 10.684 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.358 0.703 9.186 1.00 0.00 C ATOM 0 H LEU A 15 3.982 -1.192 10.471 1.00 0.00 H new ATOM 0 HA LEU A 15 4.310 0.746 12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.792 -0.511 11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.813 0.810 12.575 1.00 0.00 H new ATOM 0 HG LEU A 15 1.427 1.954 10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.470 3.108 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.402 2.968 11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.462 1.889 10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.359 1.457 8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.246 0.078 9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.467 0.083 9.092 1.00 0.00 H new ATOM 243 N ASN A 16 3.795 -2.359 13.268 1.00 0.00 N ATOM 244 CA ASN A 16 3.644 -3.414 14.274 1.00 0.00 C ATOM 245 C ASN A 16 2.149 -3.614 14.598 1.00 0.00 C ATOM 246 O ASN A 16 1.665 -3.245 15.672 1.00 0.00 O ATOM 247 CB ASN A 16 4.519 -3.166 15.552 1.00 0.00 C ATOM 248 CG ASN A 16 4.524 -4.352 16.533 1.00 0.00 C ATOM 249 OD1 ASN A 16 3.667 -4.464 17.416 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.490 -5.240 16.382 1.00 0.00 N ATOM 0 H ASN A 16 4.141 -2.706 12.373 1.00 0.00 H new ATOM 0 HA ASN A 16 4.027 -4.344 13.854 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.543 -2.954 15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.151 -2.279 16.068 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.543 -6.046 17.004 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.183 -5.119 15.643 1.00 0.00 H new ATOM 257 N LEU A 17 1.392 -4.063 13.578 1.00 0.00 N ATOM 258 CA LEU A 17 0.041 -4.618 13.785 1.00 0.00 C ATOM 259 C LEU A 17 0.169 -6.073 14.280 1.00 0.00 C ATOM 260 O LEU A 17 -0.717 -6.573 14.972 1.00 0.00 O ATOM 261 CB LEU A 17 -0.848 -4.546 12.496 1.00 0.00 C ATOM 262 CG LEU A 17 -1.375 -3.130 12.050 1.00 0.00 C ATOM 263 CD1 LEU A 17 -2.110 -2.403 13.198 1.00 0.00 C ATOM 264 CD2 LEU A 17 -0.259 -2.248 11.451 1.00 0.00 C ATOM 0 H LEU A 17 1.693 -4.052 12.604 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.464 -4.009 14.535 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.275 -4.967 11.669 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.712 -5.193 12.647 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.100 -3.308 11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.458 -1.431 12.849 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.964 -3.000 13.519 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.428 -2.265 14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.675 -1.283 11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.523 -2.096 12.195 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.163 -2.741 10.575 1.00 0.00 H new ATOM 276 N GLY A 18 1.291 -6.732 13.906 1.00 0.00 N ATOM 277 CA GLY A 18 1.639 -8.069 14.387 1.00 0.00 C ATOM 278 C GLY A 18 0.658 -9.150 13.950 1.00 0.00 C ATOM 279 O GLY A 18 0.706 -9.603 12.812 1.00 0.00 O ATOM 0 H GLY A 18 1.976 -6.341 13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.635 -8.327 14.027 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.687 -8.053 15.476 1.00 0.00 H new ATOM 283 N GLU A 19 -0.241 -9.544 14.860 1.00 0.00 N ATOM 284 CA GLU A 19 -1.301 -10.549 14.597 1.00 0.00 C ATOM 285 C GLU A 19 -2.574 -9.872 14.054 1.00 0.00 C ATOM 286 O GLU A 19 -3.381 -10.502 13.369 1.00 0.00 O ATOM 287 CB GLU A 19 -1.618 -11.314 15.911 1.00 0.00 C ATOM 288 CG GLU A 19 -2.097 -10.410 17.063 1.00 0.00 C ATOM 289 CD GLU A 19 -2.414 -11.173 18.357 1.00 0.00 C ATOM 290 OE1 GLU A 19 -1.502 -11.365 19.190 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.579 -11.583 18.554 1.00 0.00 O ATOM 0 H GLU A 19 -0.261 -9.176 15.811 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.945 -11.251 13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.384 -12.062 15.708 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.725 -11.851 16.231 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.330 -9.664 17.270 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.988 -9.870 16.743 1.00 0.00 H new ATOM 298 N ARG A 20 -2.725 -8.573 14.361 1.00 0.00 N ATOM 299 CA ARG A 20 -3.913 -7.782 13.995 1.00 0.00 C ATOM 300 C ARG A 20 -3.956 -7.519 12.472 1.00 0.00 C ATOM 301 O ARG A 20 -5.032 -7.295 11.910 1.00 0.00 O ATOM 302 CB ARG A 20 -3.963 -6.469 14.845 1.00 0.00 C ATOM 303 CG ARG A 20 -5.282 -5.642 14.751 1.00 0.00 C ATOM 304 CD ARG A 20 -5.302 -4.618 13.600 1.00 0.00 C ATOM 305 NE ARG A 20 -6.660 -4.114 13.338 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.035 -2.827 13.337 1.00 0.00 C ATOM 307 NH1 ARG A 20 -6.177 -1.868 13.658 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.283 -2.516 13.024 1.00 0.00 N ATOM 0 H ARG A 20 -2.023 -8.039 14.873 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.813 -8.351 14.228 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.795 -6.730 15.890 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.135 -5.830 14.539 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.120 -6.328 14.627 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.437 -5.116 15.693 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.646 -3.783 13.845 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.905 -5.080 12.696 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.381 -4.807 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.218 -2.105 13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.477 -0.893 13.653 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.948 -3.252 12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.580 -1.540 13.020 1.00 0.00 H new ATOM 322 N LYS A 21 -2.789 -7.588 11.791 1.00 0.00 N ATOM 323 CA LYS A 21 -2.737 -7.484 10.313 1.00 0.00 C ATOM 324 C LYS A 21 -3.482 -8.672 9.647 1.00 0.00 C ATOM 325 O LYS A 21 -3.961 -8.556 8.517 1.00 0.00 O ATOM 326 CB LYS A 21 -1.285 -7.396 9.799 1.00 0.00 C ATOM 327 CG LYS A 21 -0.453 -8.659 10.037 1.00 0.00 C ATOM 328 CD LYS A 21 0.873 -8.646 9.262 1.00 0.00 C ATOM 329 CE LYS A 21 1.556 -10.005 9.247 1.00 0.00 C ATOM 330 NZ LYS A 21 2.103 -10.387 10.566 1.00 0.00 N ATOM 0 H LYS A 21 -1.879 -7.714 12.235 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.243 -6.560 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.303 -7.183 8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.791 -6.554 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.246 -8.758 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.034 -9.533 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.687 -8.326 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.543 -7.912 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.842 -10.762 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.363 -9.993 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.087 -11.422 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.082 -10.047 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.525 -9.961 11.318 1.00 0.00 H new ATOM 344 N HIS A 22 -3.602 -9.795 10.392 1.00 0.00 N ATOM 345 CA HIS A 22 -4.246 -11.029 9.902 1.00 0.00 C ATOM 346 C HIS A 22 -5.783 -10.941 9.999 1.00 0.00 C ATOM 347 O HIS A 22 -6.497 -11.646 9.272 1.00 0.00 O ATOM 348 CB HIS A 22 -3.710 -12.251 10.695 1.00 0.00 C ATOM 349 CG HIS A 22 -4.197 -13.586 10.196 1.00 0.00 C ATOM 350 ND1 HIS A 22 -5.305 -14.226 10.707 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.708 -14.404 9.235 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.482 -15.367 10.074 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.522 -15.501 9.185 1.00 0.00 N ATOM 0 H HIS A 22 -3.255 -9.868 11.348 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.996 -11.152 8.848 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.621 -12.240 10.660 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.997 -12.143 11.741 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.837 -14.224 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.280 -16.073 10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.404 -16.297 8.558 1.00 0.00 H new ATOM 362 N THR A 23 -6.300 -10.084 10.901 1.00 0.00 N ATOM 363 CA THR A 23 -7.761 -9.946 11.113 1.00 0.00 C ATOM 364 C THR A 23 -8.361 -8.795 10.276 1.00 0.00 C ATOM 365 O THR A 23 -9.585 -8.730 10.097 1.00 0.00 O ATOM 366 CB THR A 23 -8.126 -9.771 12.630 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.540 -9.918 12.826 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.671 -8.418 13.204 1.00 0.00 C ATOM 0 H THR A 23 -5.733 -9.478 11.494 1.00 0.00 H new ATOM 0 HA THR A 23 -8.206 -10.880 10.769 1.00 0.00 H new ATOM 0 HB THR A 23 -7.589 -10.553 13.167 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.011 -9.682 12.000 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.951 -8.356 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.589 -8.329 13.111 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.150 -7.609 12.652 1.00 0.00 H new ATOM 376 N LEU A 24 -7.508 -7.893 9.752 1.00 0.00 N ATOM 377 CA LEU A 24 -7.980 -6.768 8.919 1.00 0.00 C ATOM 378 C LEU A 24 -7.979 -7.178 7.433 1.00 0.00 C ATOM 379 O LEU A 24 -7.161 -7.999 7.003 1.00 0.00 O ATOM 380 CB LEU A 24 -7.168 -5.456 9.200 1.00 0.00 C ATOM 381 CG LEU A 24 -5.606 -5.454 8.999 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.185 -5.376 7.514 1.00 0.00 C ATOM 383 CD2 LEU A 24 -4.947 -4.305 9.801 1.00 0.00 C ATOM 0 H LEU A 24 -6.498 -7.920 9.889 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.009 -6.533 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.580 -4.674 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.365 -5.164 10.232 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.251 -6.411 9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.097 -5.378 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.585 -6.236 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.575 -4.459 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.868 -4.325 9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.345 -3.349 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.163 -4.431 10.862 1.00 0.00 H new ATOM 395 N THR A 25 -8.906 -6.595 6.662 1.00 0.00 N ATOM 396 CA THR A 25 -9.098 -6.884 5.225 1.00 0.00 C ATOM 397 C THR A 25 -8.853 -5.601 4.409 1.00 0.00 C ATOM 398 O THR A 25 -8.376 -4.612 4.966 1.00 0.00 O ATOM 399 CB THR A 25 -10.543 -7.439 4.970 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.526 -6.462 5.358 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.797 -8.757 5.733 1.00 0.00 C ATOM 0 H THR A 25 -9.557 -5.897 7.020 1.00 0.00 H new ATOM 0 HA THR A 25 -8.385 -7.645 4.909 1.00 0.00 H new ATOM 0 HB THR A 25 -10.628 -7.645 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.424 -6.818 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.809 -9.107 5.529 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.080 -9.510 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.682 -8.586 6.803 1.00 0.00 H new ATOM 409 N ALA A 26 -9.183 -5.611 3.096 1.00 0.00 N ATOM 410 CA ALA A 26 -9.006 -4.432 2.210 1.00 0.00 C ATOM 411 C ALA A 26 -9.830 -3.217 2.685 1.00 0.00 C ATOM 412 O ALA A 26 -9.503 -2.078 2.352 1.00 0.00 O ATOM 413 CB ALA A 26 -9.370 -4.792 0.764 1.00 0.00 C ATOM 0 H ALA A 26 -9.575 -6.426 2.624 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.955 -4.148 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.235 -3.918 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.724 -5.598 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.410 -5.116 0.720 1.00 0.00 H new ATOM 419 N SER A 27 -10.886 -3.480 3.473 1.00 0.00 N ATOM 420 CA SER A 27 -11.803 -2.450 3.992 1.00 0.00 C ATOM 421 C SER A 27 -11.168 -1.612 5.134 1.00 0.00 C ATOM 422 O SER A 27 -11.675 -0.527 5.456 1.00 0.00 O ATOM 423 CB SER A 27 -13.108 -3.137 4.464 1.00 0.00 C ATOM 424 OG SER A 27 -14.102 -2.194 4.843 1.00 0.00 O ATOM 0 H SER A 27 -11.130 -4.424 3.771 1.00 0.00 H new ATOM 0 HA SER A 27 -12.023 -1.747 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.494 -3.769 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.888 -3.791 5.308 1.00 0.00 H new ATOM 0 HG SER A 27 -13.670 -1.384 5.187 1.00 0.00 H new ATOM 430 N SER A 28 -10.064 -2.116 5.730 1.00 0.00 N ATOM 431 CA SER A 28 -9.396 -1.461 6.872 1.00 0.00 C ATOM 432 C SER A 28 -8.776 -0.120 6.453 1.00 0.00 C ATOM 433 O SER A 28 -7.967 -0.066 5.524 1.00 0.00 O ATOM 434 CB SER A 28 -8.307 -2.379 7.483 1.00 0.00 C ATOM 435 OG SER A 28 -7.245 -2.634 6.575 1.00 0.00 O ATOM 0 H SER A 28 -9.615 -2.983 5.434 1.00 0.00 H new ATOM 0 HA SER A 28 -10.156 -1.272 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.908 -1.915 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.759 -3.324 7.785 1.00 0.00 H new ATOM 0 HG SER A 28 -7.523 -3.317 5.930 1.00 0.00 H new ATOM 441 N VAL A 29 -9.180 0.951 7.136 1.00 0.00 N ATOM 442 CA VAL A 29 -8.625 2.293 6.935 1.00 0.00 C ATOM 443 C VAL A 29 -7.238 2.338 7.613 1.00 0.00 C ATOM 444 O VAL A 29 -7.003 1.618 8.591 1.00 0.00 O ATOM 445 CB VAL A 29 -9.607 3.381 7.530 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.068 4.828 7.400 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.007 3.251 6.880 1.00 0.00 C ATOM 0 H VAL A 29 -9.907 0.913 7.850 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.512 2.514 5.874 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.686 3.184 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.789 5.525 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.121 4.913 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.914 5.066 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.674 4.005 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.923 3.397 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.411 2.259 7.081 1.00 0.00 H new ATOM 457 N LEU A 30 -6.306 3.131 7.075 1.00 0.00 N ATOM 458 CA LEU A 30 -4.940 3.226 7.616 1.00 0.00 C ATOM 459 C LEU A 30 -4.695 4.622 8.183 1.00 0.00 C ATOM 460 O LEU A 30 -4.524 4.778 9.395 1.00 0.00 O ATOM 461 CB LEU A 30 -3.903 2.870 6.530 1.00 0.00 C ATOM 462 CG LEU A 30 -4.063 1.473 5.859 1.00 0.00 C ATOM 463 CD1 LEU A 30 -2.961 1.262 4.820 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.084 0.320 6.903 1.00 0.00 C ATOM 0 H LEU A 30 -6.471 3.721 6.260 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.829 2.507 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.947 3.631 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.909 2.925 6.974 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.029 1.452 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.081 0.283 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.028 2.036 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.987 1.316 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.197 -0.634 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.150 0.321 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.920 0.464 7.588 1.00 0.00 H new ATOM 476 N LEU A 31 -4.654 5.635 7.291 1.00 0.00 N ATOM 477 CA LEU A 31 -4.526 7.046 7.687 1.00 0.00 C ATOM 478 C LEU A 31 -5.676 7.461 8.623 1.00 0.00 C ATOM 479 O LEU A 31 -6.838 7.504 8.210 1.00 0.00 O ATOM 480 CB LEU A 31 -4.478 7.953 6.429 1.00 0.00 C ATOM 481 CG LEU A 31 -3.190 7.827 5.554 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.336 8.607 4.239 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.932 8.290 6.327 1.00 0.00 C ATOM 0 H LEU A 31 -4.709 5.494 6.282 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.592 7.168 8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.343 7.725 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.579 8.991 6.747 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.063 6.772 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.425 8.501 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.181 8.213 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.506 9.661 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.055 8.189 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.049 9.333 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.805 7.675 7.218 1.00 0.00 H new ATOM 495 N GLY A 32 -5.318 7.716 9.889 1.00 0.00 N ATOM 496 CA GLY A 32 -6.257 8.148 10.921 1.00 0.00 C ATOM 497 C GLY A 32 -6.751 7.006 11.798 1.00 0.00 C ATOM 498 O GLY A 32 -6.994 7.203 12.996 1.00 0.00 O ATOM 0 H GLY A 32 -4.359 7.626 10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.777 8.898 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.112 8.629 10.447 1.00 0.00 H new ATOM 502 N ASN A 33 -6.915 5.806 11.202 1.00 0.00 N ATOM 503 CA ASN A 33 -7.444 4.616 11.905 1.00 0.00 C ATOM 504 C ASN A 33 -6.342 3.934 12.732 1.00 0.00 C ATOM 505 O ASN A 33 -6.569 3.561 13.889 1.00 0.00 O ATOM 506 CB ASN A 33 -8.030 3.607 10.895 1.00 0.00 C ATOM 507 CG ASN A 33 -8.721 2.402 11.553 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.426 2.545 12.549 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.502 1.196 11.038 1.00 0.00 N ATOM 0 H ASN A 33 -6.686 5.634 10.223 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.234 4.950 12.578 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.748 4.122 10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.229 3.247 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.922 0.373 11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.914 1.094 10.211 1.00 0.00 H new ATOM 516 N ILE A 34 -5.158 3.765 12.113 1.00 0.00 N ATOM 517 CA ILE A 34 -3.984 3.188 12.775 1.00 0.00 C ATOM 518 C ILE A 34 -3.180 4.341 13.404 1.00 0.00 C ATOM 519 O ILE A 34 -2.669 5.205 12.671 1.00 0.00 O ATOM 520 CB ILE A 34 -3.050 2.378 11.789 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.878 1.402 10.878 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.949 1.612 12.571 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.693 0.341 11.613 1.00 0.00 C ATOM 0 H ILE A 34 -4.994 4.026 11.141 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.335 2.479 13.525 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.561 3.099 11.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.557 1.995 10.265 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.191 0.899 10.198 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.320 1.063 11.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.338 2.322 13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.415 0.912 13.265 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.224 -0.276 10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.025 -0.286 12.204 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.412 0.827 12.272 1.00 0.00 H new ATOM 535 N PRO A 35 -3.047 4.381 14.765 1.00 0.00 N ATOM 536 CA PRO A 35 -2.342 5.476 15.460 1.00 0.00 C ATOM 537 C PRO A 35 -0.809 5.330 15.383 1.00 0.00 C ATOM 538 O PRO A 35 -0.069 6.221 15.819 1.00 0.00 O ATOM 539 CB PRO A 35 -2.876 5.360 16.906 1.00 0.00 C ATOM 540 CG PRO A 35 -3.154 3.900 17.092 1.00 0.00 C ATOM 541 CD PRO A 35 -3.549 3.362 15.725 1.00 0.00 C ATOM 0 HA PRO A 35 -2.526 6.454 15.015 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.143 5.719 17.629 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.778 5.956 17.044 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.274 3.382 17.474 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.954 3.746 17.816 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.101 2.386 15.538 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.629 3.238 15.644 1.00 0.00 H new ATOM 549 N GLU A 36 -0.346 4.208 14.803 1.00 0.00 N ATOM 550 CA GLU A 36 1.084 3.905 14.655 1.00 0.00 C ATOM 551 C GLU A 36 1.612 4.477 13.330 1.00 0.00 C ATOM 552 O GLU A 36 2.823 4.658 13.164 1.00 0.00 O ATOM 553 CB GLU A 36 1.298 2.365 14.704 1.00 0.00 C ATOM 554 CG GLU A 36 0.563 1.639 15.853 1.00 0.00 C ATOM 555 CD GLU A 36 0.892 2.200 17.248 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.004 1.951 17.749 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.043 2.889 17.851 1.00 0.00 O ATOM 0 H GLU A 36 -0.957 3.485 14.423 1.00 0.00 H new ATOM 0 HA GLU A 36 1.636 4.367 15.474 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.971 1.938 13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.366 2.164 14.792 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.512 1.709 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.821 0.580 15.826 1.00 0.00 H new ATOM 564 N LEU A 37 0.681 4.779 12.402 1.00 0.00 N ATOM 565 CA LEU A 37 1.015 5.282 11.068 1.00 0.00 C ATOM 566 C LEU A 37 1.232 6.808 11.141 1.00 0.00 C ATOM 567 O LEU A 37 0.295 7.600 11.022 1.00 0.00 O ATOM 568 CB LEU A 37 -0.091 4.892 10.051 1.00 0.00 C ATOM 569 CG LEU A 37 0.166 5.298 8.562 1.00 0.00 C ATOM 570 CD1 LEU A 37 1.423 4.601 7.985 1.00 0.00 C ATOM 571 CD2 LEU A 37 -1.079 5.021 7.695 1.00 0.00 C ATOM 0 H LEU A 37 -0.321 4.679 12.563 1.00 0.00 H new ATOM 0 HA LEU A 37 1.941 4.826 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.229 3.812 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.028 5.346 10.373 1.00 0.00 H new ATOM 0 HG LEU A 37 0.359 6.371 8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.567 4.909 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.297 4.883 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.291 3.520 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.876 5.311 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.319 3.958 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.923 5.597 8.075 1.00 0.00 H new ATOM 583 N ASP A 38 2.474 7.188 11.443 1.00 0.00 N ATOM 584 CA ASP A 38 2.942 8.585 11.488 1.00 0.00 C ATOM 585 C ASP A 38 3.374 9.054 10.072 1.00 0.00 C ATOM 586 O ASP A 38 3.385 8.260 9.130 1.00 0.00 O ATOM 587 CB ASP A 38 4.132 8.648 12.497 1.00 0.00 C ATOM 588 CG ASP A 38 4.708 10.059 12.709 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.098 10.848 13.458 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.761 10.392 12.107 1.00 0.00 O ATOM 0 H ASP A 38 3.208 6.517 11.671 1.00 0.00 H new ATOM 0 HA ASP A 38 2.145 9.253 11.815 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.799 8.256 13.458 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.928 7.993 12.144 1.00 0.00 H new ATOM 595 N SER A 39 3.687 10.354 9.947 1.00 0.00 N ATOM 596 CA SER A 39 4.321 10.970 8.764 1.00 0.00 C ATOM 597 C SER A 39 5.582 10.180 8.291 1.00 0.00 C ATOM 598 O SER A 39 5.593 9.579 7.217 1.00 0.00 O ATOM 599 CB SER A 39 4.685 12.418 9.151 1.00 0.00 C ATOM 600 OG SER A 39 5.368 13.108 8.113 1.00 0.00 O ATOM 0 H SER A 39 3.501 11.029 10.689 1.00 0.00 H new ATOM 0 HA SER A 39 3.630 10.952 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.775 12.961 9.405 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.309 12.405 10.045 1.00 0.00 H new ATOM 0 HG SER A 39 5.574 14.020 8.407 1.00 0.00 H new ATOM 605 N MET A 40 6.632 10.143 9.119 1.00 0.00 N ATOM 606 CA MET A 40 7.865 9.377 8.802 1.00 0.00 C ATOM 607 C MET A 40 7.581 7.862 8.639 1.00 0.00 C ATOM 608 O MET A 40 8.324 7.157 7.946 1.00 0.00 O ATOM 609 CB MET A 40 8.958 9.620 9.863 1.00 0.00 C ATOM 610 CG MET A 40 9.393 11.087 9.985 1.00 0.00 C ATOM 611 SD MET A 40 9.967 11.783 8.418 1.00 0.00 S ATOM 612 CE MET A 40 10.488 13.425 8.923 1.00 0.00 C ATOM 0 H MET A 40 6.663 10.630 10.015 1.00 0.00 H new ATOM 0 HA MET A 40 8.232 9.744 7.843 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.593 9.278 10.831 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.829 9.012 9.618 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.556 11.679 10.355 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.190 11.164 10.725 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.866 13.969 8.057 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.639 13.962 9.347 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.276 13.343 9.672 1.00 0.00 H new ATOM 622 N ALA A 41 6.484 7.389 9.257 1.00 0.00 N ATOM 623 CA ALA A 41 6.024 5.998 9.119 1.00 0.00 C ATOM 624 C ALA A 41 5.396 5.713 7.736 1.00 0.00 C ATOM 625 O ALA A 41 5.445 4.569 7.278 1.00 0.00 O ATOM 626 CB ALA A 41 5.055 5.645 10.236 1.00 0.00 C ATOM 0 H ALA A 41 5.894 7.959 9.864 1.00 0.00 H new ATOM 0 HA ALA A 41 6.905 5.361 9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.725 4.613 10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.553 5.759 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.192 6.309 10.192 1.00 0.00 H new ATOM 632 N VAL A 42 4.797 6.743 7.067 1.00 0.00 N ATOM 633 CA VAL A 42 4.334 6.593 5.665 1.00 0.00 C ATOM 634 C VAL A 42 5.562 6.395 4.764 1.00 0.00 C ATOM 635 O VAL A 42 5.534 5.597 3.836 1.00 0.00 O ATOM 636 CB VAL A 42 3.446 7.791 5.094 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.312 8.210 6.055 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.277 9.028 4.643 1.00 0.00 C ATOM 0 H VAL A 42 4.629 7.664 7.471 1.00 0.00 H new ATOM 0 HA VAL A 42 3.670 5.729 5.664 1.00 0.00 H new ATOM 0 HB VAL A 42 2.984 7.381 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.743 9.028 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.651 7.361 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.740 8.537 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.606 9.800 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.839 9.418 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.969 8.733 3.854 1.00 0.00 H new ATOM 648 N VAL A 43 6.656 7.111 5.093 1.00 0.00 N ATOM 649 CA VAL A 43 7.918 7.024 4.312 1.00 0.00 C ATOM 650 C VAL A 43 8.536 5.624 4.472 1.00 0.00 C ATOM 651 O VAL A 43 9.060 5.041 3.518 1.00 0.00 O ATOM 652 CB VAL A 43 8.952 8.119 4.755 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.061 8.343 3.692 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.223 9.426 5.100 1.00 0.00 C ATOM 0 H VAL A 43 6.697 7.752 5.886 1.00 0.00 H new ATOM 0 HA VAL A 43 7.675 7.201 3.264 1.00 0.00 H new ATOM 0 HB VAL A 43 9.458 7.759 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.752 9.109 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.603 7.411 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.607 8.666 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.950 10.178 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.679 9.781 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.521 9.247 5.915 1.00 0.00 H new ATOM 664 N ASN A 44 8.444 5.116 5.707 1.00 0.00 N ATOM 665 CA ASN A 44 8.903 3.772 6.089 1.00 0.00 C ATOM 666 C ASN A 44 8.197 2.656 5.301 1.00 0.00 C ATOM 667 O ASN A 44 8.858 1.746 4.797 1.00 0.00 O ATOM 668 CB ASN A 44 8.694 3.574 7.611 1.00 0.00 C ATOM 669 CG ASN A 44 9.702 4.327 8.482 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.838 4.544 8.081 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.298 4.718 9.682 1.00 0.00 N ATOM 0 H ASN A 44 8.040 5.637 6.485 1.00 0.00 H new ATOM 0 HA ASN A 44 9.963 3.701 5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.688 3.900 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.755 2.510 7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.940 5.215 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.345 4.522 9.988 1.00 0.00 H new ATOM 678 N VAL A 45 6.855 2.734 5.205 1.00 0.00 N ATOM 679 CA VAL A 45 6.060 1.698 4.513 1.00 0.00 C ATOM 680 C VAL A 45 6.237 1.768 2.990 1.00 0.00 C ATOM 681 O VAL A 45 6.168 0.738 2.335 1.00 0.00 O ATOM 682 CB VAL A 45 4.537 1.743 4.899 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.350 1.499 6.406 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.872 3.060 4.473 1.00 0.00 C ATOM 0 H VAL A 45 6.301 3.497 5.594 1.00 0.00 H new ATOM 0 HA VAL A 45 6.450 0.740 4.857 1.00 0.00 H new ATOM 0 HB VAL A 45 4.041 0.941 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.289 1.534 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.751 0.520 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.878 2.270 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.821 3.046 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.371 3.895 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.951 3.175 3.392 1.00 0.00 H new ATOM 694 N ILE A 46 6.487 2.984 2.442 1.00 0.00 N ATOM 695 CA ILE A 46 6.779 3.160 0.997 1.00 0.00 C ATOM 696 C ILE A 46 8.096 2.453 0.647 1.00 0.00 C ATOM 697 O ILE A 46 8.153 1.685 -0.312 1.00 0.00 O ATOM 698 CB ILE A 46 6.855 4.680 0.577 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.475 5.369 0.787 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.342 4.852 -0.896 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.482 6.879 0.641 1.00 0.00 C ATOM 0 H ILE A 46 6.492 3.853 2.976 1.00 0.00 H new ATOM 0 HA ILE A 46 5.955 2.714 0.440 1.00 0.00 H new ATOM 0 HB ILE A 46 7.591 5.165 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.766 4.953 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.108 5.117 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.380 5.912 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.336 4.418 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.650 4.346 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.476 7.265 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.161 7.312 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.814 7.146 -0.362 1.00 0.00 H new ATOM 713 N THR A 47 9.129 2.713 1.474 1.00 0.00 N ATOM 714 CA THR A 47 10.461 2.095 1.335 1.00 0.00 C ATOM 715 C THR A 47 10.356 0.560 1.419 1.00 0.00 C ATOM 716 O THR A 47 10.930 -0.158 0.607 1.00 0.00 O ATOM 717 CB THR A 47 11.451 2.631 2.426 1.00 0.00 C ATOM 718 OG1 THR A 47 11.541 4.062 2.324 1.00 0.00 O ATOM 719 CG2 THR A 47 12.864 2.021 2.296 1.00 0.00 C ATOM 0 H THR A 47 9.061 3.360 2.260 1.00 0.00 H new ATOM 0 HA THR A 47 10.855 2.368 0.356 1.00 0.00 H new ATOM 0 HB THR A 47 11.056 2.336 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.743 4.469 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.509 2.427 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.804 0.938 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.278 2.267 1.318 1.00 0.00 H new ATOM 727 N ALA A 48 9.575 0.086 2.394 1.00 0.00 N ATOM 728 CA ALA A 48 9.325 -1.345 2.600 1.00 0.00 C ATOM 729 C ALA A 48 8.585 -1.963 1.387 1.00 0.00 C ATOM 730 O ALA A 48 8.905 -3.077 0.972 1.00 0.00 O ATOM 731 CB ALA A 48 8.561 -1.546 3.907 1.00 0.00 C ATOM 0 H ALA A 48 9.096 0.686 3.066 1.00 0.00 H new ATOM 0 HA ALA A 48 10.277 -1.870 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.375 -2.609 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.151 -1.158 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.610 -1.015 3.858 1.00 0.00 H new ATOM 737 N LEU A 49 7.636 -1.199 0.791 1.00 0.00 N ATOM 738 CA LEU A 49 6.923 -1.608 -0.447 1.00 0.00 C ATOM 739 C LEU A 49 7.950 -1.856 -1.582 1.00 0.00 C ATOM 740 O LEU A 49 7.882 -2.894 -2.269 1.00 0.00 O ATOM 741 CB LEU A 49 5.837 -0.538 -0.869 1.00 0.00 C ATOM 742 CG LEU A 49 4.330 -0.884 -0.591 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.894 -2.136 -1.372 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.034 -1.039 0.916 1.00 0.00 C ATOM 0 H LEU A 49 7.345 -0.290 1.150 1.00 0.00 H new ATOM 0 HA LEU A 49 6.388 -2.538 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.068 0.396 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.947 -0.350 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 49 3.740 -0.039 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.847 -2.351 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.019 -1.960 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.507 -2.985 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.980 -1.278 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.646 -1.842 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.267 -0.107 1.430 1.00 0.00 H new ATOM 756 N GLU A 50 8.916 -0.904 -1.721 1.00 0.00 N ATOM 757 CA GLU A 50 10.042 -1.005 -2.683 1.00 0.00 C ATOM 758 C GLU A 50 10.756 -2.356 -2.518 1.00 0.00 C ATOM 759 O GLU A 50 10.983 -3.072 -3.494 1.00 0.00 O ATOM 760 CB GLU A 50 11.112 0.114 -2.463 1.00 0.00 C ATOM 761 CG GLU A 50 10.602 1.564 -2.326 1.00 0.00 C ATOM 762 CD GLU A 50 10.284 2.259 -3.647 1.00 0.00 C ATOM 763 OE1 GLU A 50 11.197 2.370 -4.496 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.146 2.734 -3.825 1.00 0.00 O ATOM 0 H GLU A 50 8.932 -0.047 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 50 9.609 -0.899 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.677 -0.131 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.812 0.080 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.704 1.561 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.353 2.150 -1.795 1.00 0.00 H new ATOM 771 N GLU A 51 11.081 -2.678 -1.245 1.00 0.00 N ATOM 772 CA GLU A 51 11.885 -3.860 -0.889 1.00 0.00 C ATOM 773 C GLU A 51 11.186 -5.172 -1.305 1.00 0.00 C ATOM 774 O GLU A 51 11.648 -5.867 -2.216 1.00 0.00 O ATOM 775 CB GLU A 51 12.198 -3.891 0.644 1.00 0.00 C ATOM 776 CG GLU A 51 12.771 -2.581 1.234 1.00 0.00 C ATOM 777 CD GLU A 51 13.934 -1.980 0.427 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.992 -2.625 0.329 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.796 -0.864 -0.118 1.00 0.00 O ATOM 0 H GLU A 51 10.791 -2.123 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 51 12.823 -3.781 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.281 -4.139 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.907 -4.696 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.970 -1.844 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.111 -2.773 2.252 1.00 0.00 H new ATOM 786 N TYR A 52 10.042 -5.467 -0.658 1.00 0.00 N ATOM 787 CA TYR A 52 9.381 -6.791 -0.753 1.00 0.00 C ATOM 788 C TYR A 52 8.754 -7.036 -2.134 1.00 0.00 C ATOM 789 O TYR A 52 8.772 -8.169 -2.627 1.00 0.00 O ATOM 790 CB TYR A 52 8.314 -6.956 0.359 1.00 0.00 C ATOM 791 CG TYR A 52 8.885 -6.867 1.789 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.404 -7.988 2.449 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.912 -5.658 2.472 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.915 -7.884 3.734 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.419 -5.549 3.741 1.00 0.00 C ATOM 796 CZ TYR A 52 9.921 -6.657 4.374 1.00 0.00 C ATOM 797 OH TYR A 52 10.412 -6.549 5.662 1.00 0.00 O ATOM 0 H TYR A 52 9.551 -4.804 -0.059 1.00 0.00 H new ATOM 0 HA TYR A 52 10.159 -7.541 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.551 -6.188 0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.819 -7.919 0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.406 -8.946 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.521 -4.775 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.307 -8.758 4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.423 -4.592 4.241 1.00 0.00 H new ATOM 0 HH TYR A 52 10.344 -5.618 5.961 1.00 0.00 H new ATOM 807 N PHE A 53 8.182 -5.990 -2.751 1.00 0.00 N ATOM 808 CA PHE A 53 7.547 -6.119 -4.083 1.00 0.00 C ATOM 809 C PHE A 53 8.572 -5.893 -5.219 1.00 0.00 C ATOM 810 O PHE A 53 8.274 -6.204 -6.375 1.00 0.00 O ATOM 811 CB PHE A 53 6.362 -5.135 -4.226 1.00 0.00 C ATOM 812 CG PHE A 53 5.120 -5.422 -3.372 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.214 -5.618 -1.995 1.00 0.00 C ATOM 814 CD2 PHE A 53 3.853 -5.473 -3.952 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.084 -5.858 -1.239 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.729 -5.707 -3.191 1.00 0.00 C ATOM 817 CZ PHE A 53 2.844 -5.900 -1.837 1.00 0.00 C ATOM 0 H PHE A 53 8.143 -5.050 -2.357 1.00 0.00 H new ATOM 0 HA PHE A 53 7.166 -7.137 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.719 -4.135 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.058 -5.118 -5.273 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.181 -5.582 -1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.751 -5.326 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.173 -6.014 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.757 -5.739 -3.660 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.963 -6.085 -1.241 1.00 0.00 H new ATOM 827 N ASP A 54 9.760 -5.322 -4.875 1.00 0.00 N ATOM 828 CA ASP A 54 10.891 -5.111 -5.816 1.00 0.00 C ATOM 829 C ASP A 54 10.513 -4.132 -6.945 1.00 0.00 C ATOM 830 O ASP A 54 10.800 -4.370 -8.128 1.00 0.00 O ATOM 831 CB ASP A 54 11.432 -6.463 -6.379 1.00 0.00 C ATOM 832 CG ASP A 54 12.072 -7.364 -5.312 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.215 -7.082 -4.890 1.00 0.00 O ATOM 834 OD2 ASP A 54 11.449 -8.363 -4.898 1.00 0.00 O ATOM 0 H ASP A 54 9.958 -4.994 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 54 11.702 -4.653 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.613 -7.003 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.168 -6.255 -7.155 1.00 0.00 H new ATOM 839 N PHE A 55 9.883 -3.012 -6.560 1.00 0.00 N ATOM 840 CA PHE A 55 9.438 -1.970 -7.512 1.00 0.00 C ATOM 841 C PHE A 55 9.656 -0.574 -6.914 1.00 0.00 C ATOM 842 O PHE A 55 10.296 -0.436 -5.868 1.00 0.00 O ATOM 843 CB PHE A 55 7.939 -2.195 -7.891 1.00 0.00 C ATOM 844 CG PHE A 55 6.892 -1.732 -6.863 1.00 0.00 C ATOM 845 CD1 PHE A 55 6.987 -2.073 -5.520 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.790 -0.977 -7.261 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.025 -1.673 -4.616 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.833 -0.578 -6.353 1.00 0.00 C ATOM 849 CZ PHE A 55 4.949 -0.933 -5.033 1.00 0.00 C ATOM 0 H PHE A 55 9.666 -2.799 -5.586 1.00 0.00 H new ATOM 0 HA PHE A 55 10.033 -2.041 -8.422 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.744 -1.680 -8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.790 -3.259 -8.074 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.827 -2.660 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.684 -0.700 -8.299 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.120 -1.944 -3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.992 0.014 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.194 -0.630 -4.323 1.00 0.00 H new ATOM 859 N SER A 56 9.143 0.456 -7.601 1.00 0.00 N ATOM 860 CA SER A 56 9.073 1.814 -7.063 1.00 0.00 C ATOM 861 C SER A 56 7.630 2.343 -7.145 1.00 0.00 C ATOM 862 O SER A 56 6.972 2.214 -8.186 1.00 0.00 O ATOM 863 CB SER A 56 10.059 2.742 -7.808 1.00 0.00 C ATOM 864 OG SER A 56 10.241 3.959 -7.101 1.00 0.00 O ATOM 0 H SER A 56 8.766 0.367 -8.545 1.00 0.00 H new ATOM 0 HA SER A 56 9.366 1.796 -6.013 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.019 2.239 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.682 2.951 -8.809 1.00 0.00 H new ATOM 0 HG SER A 56 10.571 3.767 -6.198 1.00 0.00 H new ATOM 870 N VAL A 57 7.143 2.889 -6.019 1.00 0.00 N ATOM 871 CA VAL A 57 5.856 3.588 -5.936 1.00 0.00 C ATOM 872 C VAL A 57 6.112 5.061 -6.330 1.00 0.00 C ATOM 873 O VAL A 57 6.894 5.742 -5.662 1.00 0.00 O ATOM 874 CB VAL A 57 5.231 3.521 -4.473 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.708 3.798 -4.495 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.534 2.181 -3.759 1.00 0.00 C ATOM 0 H VAL A 57 7.641 2.855 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 57 5.140 3.110 -6.605 1.00 0.00 H new ATOM 0 HB VAL A 57 5.715 4.309 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.314 3.744 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.525 4.792 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.212 3.053 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.085 2.188 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.118 1.357 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.613 2.053 -3.669 1.00 0.00 H new ATOM 886 N ASP A 58 5.474 5.531 -7.410 1.00 0.00 N ATOM 887 CA ASP A 58 5.767 6.851 -8.022 1.00 0.00 C ATOM 888 C ASP A 58 5.168 8.012 -7.198 1.00 0.00 C ATOM 889 O ASP A 58 4.085 7.881 -6.648 1.00 0.00 O ATOM 890 CB ASP A 58 5.228 6.865 -9.471 1.00 0.00 C ATOM 891 CG ASP A 58 5.440 8.201 -10.198 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.563 8.456 -10.675 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.493 9.001 -10.282 1.00 0.00 O ATOM 0 H ASP A 58 4.738 5.013 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 58 6.847 7.000 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.716 6.072 -10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.162 6.636 -9.455 1.00 0.00 H new ATOM 898 N ASP A 59 5.875 9.148 -7.152 1.00 0.00 N ATOM 899 CA ASP A 59 5.485 10.341 -6.357 1.00 0.00 C ATOM 900 C ASP A 59 4.052 10.859 -6.682 1.00 0.00 C ATOM 901 O ASP A 59 3.306 11.232 -5.767 1.00 0.00 O ATOM 902 CB ASP A 59 6.543 11.455 -6.582 1.00 0.00 C ATOM 903 CG ASP A 59 6.227 12.787 -5.872 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.169 12.811 -4.624 1.00 0.00 O ATOM 905 OD2 ASP A 59 6.053 13.818 -6.550 1.00 0.00 O ATOM 0 H ASP A 59 6.745 9.276 -7.668 1.00 0.00 H new ATOM 0 HA ASP A 59 5.457 10.049 -5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.512 11.094 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.635 11.641 -7.652 1.00 0.00 H new ATOM 910 N ASP A 60 3.679 10.850 -7.980 1.00 0.00 N ATOM 911 CA ASP A 60 2.358 11.352 -8.455 1.00 0.00 C ATOM 912 C ASP A 60 1.207 10.419 -8.051 1.00 0.00 C ATOM 913 O ASP A 60 0.080 10.879 -7.818 1.00 0.00 O ATOM 914 CB ASP A 60 2.356 11.531 -10.000 1.00 0.00 C ATOM 915 CG ASP A 60 3.213 12.708 -10.470 1.00 0.00 C ATOM 916 OD1 ASP A 60 4.452 12.621 -10.387 1.00 0.00 O ATOM 917 OD2 ASP A 60 2.654 13.741 -10.904 1.00 0.00 O ATOM 0 H ASP A 60 4.276 10.498 -8.729 1.00 0.00 H new ATOM 0 HA ASP A 60 2.200 12.318 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.720 10.615 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.331 11.677 -10.341 1.00 0.00 H new ATOM 922 N GLU A 61 1.487 9.105 -7.982 1.00 0.00 N ATOM 923 CA GLU A 61 0.459 8.098 -7.637 1.00 0.00 C ATOM 924 C GLU A 61 0.352 7.957 -6.111 1.00 0.00 C ATOM 925 O GLU A 61 -0.673 7.517 -5.612 1.00 0.00 O ATOM 926 CB GLU A 61 0.747 6.725 -8.288 1.00 0.00 C ATOM 927 CG GLU A 61 1.946 5.983 -7.687 1.00 0.00 C ATOM 928 CD GLU A 61 2.315 4.690 -8.398 1.00 0.00 C ATOM 929 OE1 GLU A 61 2.448 4.715 -9.644 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.547 3.671 -7.720 1.00 0.00 O ATOM 0 H GLU A 61 2.412 8.714 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.493 8.449 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.139 6.097 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.921 6.871 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.810 6.647 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.731 5.759 -6.642 1.00 0.00 H new ATOM 937 N ILE A 62 1.437 8.319 -5.394 1.00 0.00 N ATOM 938 CA ILE A 62 1.446 8.388 -3.934 1.00 0.00 C ATOM 939 C ILE A 62 0.623 9.607 -3.486 1.00 0.00 C ATOM 940 O ILE A 62 1.018 10.751 -3.720 1.00 0.00 O ATOM 941 CB ILE A 62 2.916 8.498 -3.355 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.751 7.212 -3.632 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.906 8.795 -1.846 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.191 7.259 -3.131 1.00 0.00 C ATOM 0 H ILE A 62 2.329 8.570 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 62 1.009 7.467 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 62 3.389 9.331 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.248 6.363 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.762 7.028 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.931 8.864 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.392 9.739 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.388 7.993 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.690 6.320 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.717 8.083 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.196 7.408 -2.051 1.00 0.00 H new ATOM 956 N SER A 63 -0.531 9.343 -2.889 1.00 0.00 N ATOM 957 CA SER A 63 -1.361 10.362 -2.235 1.00 0.00 C ATOM 958 C SER A 63 -1.929 9.776 -0.937 1.00 0.00 C ATOM 959 O SER A 63 -1.714 8.593 -0.631 1.00 0.00 O ATOM 960 CB SER A 63 -2.497 10.810 -3.196 1.00 0.00 C ATOM 961 OG SER A 63 -3.344 11.780 -2.600 1.00 0.00 O ATOM 0 H SER A 63 -0.928 8.405 -2.841 1.00 0.00 H new ATOM 0 HA SER A 63 -0.763 11.241 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.061 11.220 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.088 9.942 -3.488 1.00 0.00 H new ATOM 0 HG SER A 63 -4.044 12.038 -3.235 1.00 0.00 H new ATOM 967 N ALA A 64 -2.645 10.612 -0.169 1.00 0.00 N ATOM 968 CA ALA A 64 -3.440 10.148 0.976 1.00 0.00 C ATOM 969 C ALA A 64 -4.542 9.194 0.484 1.00 0.00 C ATOM 970 O ALA A 64 -4.894 8.244 1.173 1.00 0.00 O ATOM 971 CB ALA A 64 -4.030 11.337 1.752 1.00 0.00 C ATOM 0 H ALA A 64 -2.689 11.619 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.793 9.605 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.614 10.968 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.221 11.969 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.673 11.919 1.092 1.00 0.00 H new ATOM 977 N GLN A 65 -5.014 9.439 -0.761 1.00 0.00 N ATOM 978 CA GLN A 65 -6.006 8.589 -1.455 1.00 0.00 C ATOM 979 C GLN A 65 -5.468 7.169 -1.731 1.00 0.00 C ATOM 980 O GLN A 65 -6.242 6.240 -1.950 1.00 0.00 O ATOM 981 CB GLN A 65 -6.455 9.252 -2.784 1.00 0.00 C ATOM 982 CG GLN A 65 -7.035 10.672 -2.637 1.00 0.00 C ATOM 983 CD GLN A 65 -8.174 10.761 -1.617 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.344 10.578 -1.946 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.835 11.043 -0.367 1.00 0.00 N ATOM 0 H GLN A 65 -4.713 10.240 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.864 8.493 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.601 9.292 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.204 8.616 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.238 11.353 -2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.399 11.010 -3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.855 11.190 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.554 11.113 0.353 1.00 0.00 H new ATOM 994 N THR A 66 -4.139 7.021 -1.741 1.00 0.00 N ATOM 995 CA THR A 66 -3.476 5.720 -1.901 1.00 0.00 C ATOM 996 C THR A 66 -3.426 4.982 -0.555 1.00 0.00 C ATOM 997 O THR A 66 -3.666 3.783 -0.499 1.00 0.00 O ATOM 998 CB THR A 66 -2.033 5.918 -2.458 1.00 0.00 C ATOM 999 OG1 THR A 66 -2.100 6.774 -3.598 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.346 4.588 -2.843 1.00 0.00 C ATOM 0 H THR A 66 -3.490 7.801 -1.638 1.00 0.00 H new ATOM 0 HA THR A 66 -4.047 5.120 -2.609 1.00 0.00 H new ATOM 0 HB THR A 66 -1.429 6.362 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.259 6.718 -4.099 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.345 4.792 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.276 3.947 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.932 4.086 -3.613 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.131 5.730 0.533 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.888 5.147 1.881 1.00 0.00 C ATOM 1010 C PHE A 67 -4.108 5.274 2.810 1.00 0.00 C ATOM 1011 O PHE A 67 -4.015 4.960 4.006 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.637 5.805 2.528 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.316 5.438 1.847 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.070 6.046 0.648 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.524 4.465 2.388 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.253 5.702 0.024 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.704 4.120 1.759 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.064 4.734 0.576 1.00 0.00 C ATOM 0 H PHE A 67 -3.054 6.747 0.507 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.708 4.081 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.757 6.888 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.587 5.512 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.567 6.796 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.248 3.975 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.542 6.191 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.346 3.368 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.983 4.455 0.082 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.244 5.737 2.256 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.500 5.910 3.020 1.00 0.00 C ATOM 1030 C GLU A 68 -7.016 4.564 3.568 1.00 0.00 C ATOM 1031 O GLU A 68 -7.464 4.488 4.708 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.588 6.605 2.160 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.947 5.880 0.851 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.193 6.458 0.165 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -10.313 6.089 0.563 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.063 7.284 -0.763 1.00 0.00 O ATOM 0 H GLU A 68 -5.320 6.001 1.274 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.277 6.554 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.492 6.708 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.249 7.612 1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.101 5.940 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.113 4.823 1.061 1.00 0.00 H new ATOM 1043 N THR A 69 -6.932 3.508 2.747 1.00 0.00 N ATOM 1044 CA THR A 69 -7.382 2.155 3.114 1.00 0.00 C ATOM 1045 C THR A 69 -6.514 1.099 2.404 1.00 0.00 C ATOM 1046 O THR A 69 -5.940 1.379 1.338 1.00 0.00 O ATOM 1047 CB THR A 69 -8.906 1.958 2.778 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.343 0.628 3.101 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.228 2.248 1.303 1.00 0.00 C ATOM 0 H THR A 69 -6.548 3.567 1.804 1.00 0.00 H new ATOM 0 HA THR A 69 -7.266 2.029 4.190 1.00 0.00 H new ATOM 0 HB THR A 69 -9.443 2.680 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.857 0.306 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.293 2.097 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.964 3.279 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.655 1.574 0.666 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.432 -0.115 3.007 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.605 -1.240 2.507 1.00 0.00 C ATOM 1059 C LEU A 70 -5.963 -1.605 1.056 1.00 0.00 C ATOM 1060 O LEU A 70 -5.094 -2.021 0.271 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.787 -2.486 3.425 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.914 -3.735 3.056 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.416 -3.445 3.244 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.342 -4.988 3.843 1.00 0.00 C ATOM 0 H LEU A 70 -6.943 -0.341 3.861 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.563 -0.920 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.558 -2.196 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.836 -2.780 3.404 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.084 -3.944 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.838 -4.331 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.123 -2.615 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.224 -3.183 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.712 -5.830 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.235 -4.801 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.383 -5.221 3.618 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.257 -1.435 0.725 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.773 -1.688 -0.611 1.00 0.00 C ATOM 1078 C GLY A 71 -7.128 -0.802 -1.661 1.00 0.00 C ATOM 1079 O GLY A 71 -6.746 -1.279 -2.728 1.00 0.00 O ATOM 0 H GLY A 71 -7.966 -1.117 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.605 -2.733 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.851 -1.527 -0.617 1.00 0.00 H new ATOM 1083 N SER A 72 -6.973 0.488 -1.328 1.00 0.00 N ATOM 1084 CA SER A 72 -6.342 1.472 -2.216 1.00 0.00 C ATOM 1085 C SER A 72 -4.875 1.093 -2.510 1.00 0.00 C ATOM 1086 O SER A 72 -4.462 1.122 -3.671 1.00 0.00 O ATOM 1087 CB SER A 72 -6.454 2.878 -1.600 1.00 0.00 C ATOM 1088 OG SER A 72 -7.807 3.233 -1.375 1.00 0.00 O ATOM 0 H SER A 72 -7.281 0.877 -0.437 1.00 0.00 H new ATOM 0 HA SER A 72 -6.867 1.475 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.906 2.910 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.990 3.607 -2.264 1.00 0.00 H new ATOM 0 HG SER A 72 -7.880 4.207 -1.292 1.00 0.00 H new ATOM 1094 N LEU A 73 -4.109 0.678 -1.462 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.711 0.217 -1.636 1.00 0.00 C ATOM 1096 C LEU A 73 -2.661 -0.975 -2.586 1.00 0.00 C ATOM 1097 O LEU A 73 -1.846 -0.993 -3.504 1.00 0.00 O ATOM 1098 CB LEU A 73 -2.041 -0.200 -0.295 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.609 0.927 0.686 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.758 1.997 -0.027 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.812 1.528 1.407 1.00 0.00 C ATOM 0 H LEU A 73 -4.438 0.655 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.161 1.064 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.732 -0.856 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.158 -0.793 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.975 0.479 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.473 2.770 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.139 1.534 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.338 2.445 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.475 2.312 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.500 1.951 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.321 0.750 1.976 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.562 -1.959 -2.335 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.660 -3.185 -3.135 1.00 0.00 C ATOM 1115 C ALA A 74 -3.811 -2.834 -4.614 1.00 0.00 C ATOM 1116 O ALA A 74 -2.975 -3.231 -5.399 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.821 -4.075 -2.654 1.00 0.00 C ATOM 0 H ALA A 74 -4.236 -1.915 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.740 -3.755 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.867 -4.975 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.659 -4.353 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.760 -3.528 -2.742 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.801 -1.976 -4.931 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.176 -1.614 -6.322 1.00 0.00 C ATOM 1125 C LEU A 75 -4.025 -0.891 -7.071 1.00 0.00 C ATOM 1126 O LEU A 75 -3.718 -1.236 -8.230 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.498 -0.770 -6.328 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.845 -1.572 -6.427 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.954 -2.306 -7.775 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.025 -2.548 -5.249 1.00 0.00 C ATOM 0 H LEU A 75 -5.371 -1.508 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.360 -2.539 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.524 -0.172 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.454 -0.074 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.656 -0.846 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.896 -2.853 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.919 -1.581 -8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.124 -3.005 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.970 -3.081 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.203 -3.264 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.030 -1.991 -4.312 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.373 0.085 -6.405 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.225 0.815 -6.995 1.00 0.00 C ATOM 1144 C PHE A 76 -1.067 -0.157 -7.331 1.00 0.00 C ATOM 1145 O PHE A 76 -0.578 -0.180 -8.469 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.745 1.969 -6.060 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.547 3.277 -6.199 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.770 3.456 -5.552 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -2.063 4.331 -6.978 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -4.481 4.636 -5.682 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.775 5.508 -7.108 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.983 5.665 -6.456 1.00 0.00 C ATOM 0 H PHE A 76 -3.619 0.387 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.561 1.270 -7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.803 1.630 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.696 2.177 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.168 2.661 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.117 4.224 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.428 4.752 -5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.386 6.308 -7.721 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.535 6.588 -6.551 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.685 -1.004 -6.353 1.00 0.00 N ATOM 1163 CA VAL A 77 0.428 -1.964 -6.522 1.00 0.00 C ATOM 1164 C VAL A 77 0.033 -3.115 -7.487 1.00 0.00 C ATOM 1165 O VAL A 77 0.910 -3.743 -8.086 1.00 0.00 O ATOM 1166 CB VAL A 77 0.997 -2.490 -5.149 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.410 -1.308 -4.231 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.017 -3.425 -4.430 1.00 0.00 C ATOM 0 H VAL A 77 -1.131 -1.043 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 77 1.251 -1.421 -6.986 1.00 0.00 H new ATOM 0 HB VAL A 77 1.886 -3.078 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.799 -1.697 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.180 -0.715 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.541 -0.681 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.456 -3.759 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.912 -2.892 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.191 -4.289 -5.061 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.296 -3.393 -7.633 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.808 -4.309 -8.686 1.00 0.00 C ATOM 1180 C GLU A 78 -1.347 -3.789 -10.054 1.00 0.00 C ATOM 1181 O GLU A 78 -0.762 -4.533 -10.840 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.367 -4.417 -8.712 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.051 -5.091 -7.508 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.698 -6.565 -7.281 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.358 -7.270 -8.250 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.807 -7.042 -6.133 1.00 0.00 O ATOM 0 H GLU A 78 -2.023 -2.997 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.414 -5.300 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.773 -3.410 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.652 -4.964 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.794 -4.532 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.131 -5.011 -7.635 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.598 -2.475 -10.292 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.236 -1.793 -11.557 1.00 0.00 C ATOM 1195 C HIS A 79 0.278 -1.906 -11.824 1.00 0.00 C ATOM 1196 O HIS A 79 0.703 -2.275 -12.921 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.617 -0.288 -11.508 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.078 0.022 -11.316 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.545 1.308 -11.184 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.172 -0.775 -11.241 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -4.847 1.288 -11.030 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.256 0.039 -11.069 1.00 0.00 N ATOM 0 H HIS A 79 -2.055 -1.864 -9.615 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.790 -2.283 -12.358 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.058 0.181 -10.698 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.287 0.179 -12.436 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.185 -1.853 -11.305 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.478 2.154 -10.894 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.224 -0.271 -10.985 1.00 0.00 H new ATOM 1211 N LYS A 80 1.062 -1.601 -10.775 1.00 0.00 N ATOM 1212 CA LYS A 80 2.533 -1.491 -10.849 1.00 0.00 C ATOM 1213 C LYS A 80 3.216 -2.802 -11.232 1.00 0.00 C ATOM 1214 O LYS A 80 3.980 -2.850 -12.188 1.00 0.00 O ATOM 1215 CB LYS A 80 3.080 -0.997 -9.493 1.00 0.00 C ATOM 1216 CG LYS A 80 2.513 0.355 -9.046 1.00 0.00 C ATOM 1217 CD LYS A 80 2.792 1.467 -10.064 1.00 0.00 C ATOM 1218 CE LYS A 80 4.287 1.838 -10.163 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.493 3.058 -10.983 1.00 0.00 N ATOM 0 H LYS A 80 0.690 -1.422 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 80 2.760 -0.776 -11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.857 -1.743 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.165 -0.921 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.437 0.264 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.947 0.629 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.437 1.151 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.221 2.354 -9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.690 1.999 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.841 1.007 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.474 3.385 -10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.306 2.840 -11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.843 3.805 -10.664 1.00 0.00 H new ATOM 1233 N LEU A 81 2.929 -3.856 -10.464 1.00 0.00 N ATOM 1234 CA LEU A 81 3.550 -5.184 -10.658 1.00 0.00 C ATOM 1235 C LEU A 81 3.000 -5.888 -11.919 1.00 0.00 C ATOM 1236 O LEU A 81 3.548 -6.907 -12.346 1.00 0.00 O ATOM 1237 CB LEU A 81 3.409 -6.064 -9.374 1.00 0.00 C ATOM 1238 CG LEU A 81 4.324 -5.692 -8.144 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.819 -5.675 -8.530 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.910 -4.360 -7.482 1.00 0.00 C ATOM 0 H LEU A 81 2.264 -3.821 -9.692 1.00 0.00 H new ATOM 0 HA LEU A 81 4.617 -5.036 -10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.370 -6.022 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.615 -7.098 -9.649 1.00 0.00 H new ATOM 0 HG LEU A 81 4.176 -6.478 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.417 -5.415 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.113 -6.661 -8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.984 -4.937 -9.316 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.571 -4.151 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.983 -3.553 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.883 -4.435 -7.126 1.00 0.00 H new ATOM 1252 N SER A 82 1.901 -5.352 -12.494 1.00 0.00 N ATOM 1253 CA SER A 82 1.376 -5.799 -13.798 1.00 0.00 C ATOM 1254 C SER A 82 2.009 -5.002 -14.969 1.00 0.00 C ATOM 1255 O SER A 82 2.102 -5.519 -16.090 1.00 0.00 O ATOM 1256 CB SER A 82 -0.157 -5.656 -13.821 1.00 0.00 C ATOM 1257 OG SER A 82 -0.761 -6.441 -12.799 1.00 0.00 O ATOM 0 H SER A 82 1.357 -4.602 -12.068 1.00 0.00 H new ATOM 0 HA SER A 82 1.643 -6.848 -13.930 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.430 -4.609 -13.688 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.539 -5.964 -14.794 1.00 0.00 H new ATOM 0 HG SER A 82 -0.847 -5.905 -11.983 1.00 0.00 H new