USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 563 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 52 THR OG1 : rot 67:sc= 0.125 USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.205 K(o=-0.081,f=-0.75) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= -0.848 (180deg=-0.881) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.57! C(o=-1.6!,f=-5.5!) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.94 F(o=-2.7,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0168 X(o=-0.017,f=0.46) USER MOD Single : A 23 THR OG1 : rot 160:sc= -5.05! USER MOD Single : A 24 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.6!) USER MOD Single : A 25 ASN : amide:sc=-0.00745 X(o=-0.0075,f=-0.038) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 170:sc= -0.0367 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -52:sc= -0.695! USER MOD Single : A 64 THR OG1 : rot -90:sc= 1.33 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 30:sc= -1.37 USER MOD Single : A 73 ASN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -2.361 -10.239 -5.552 1.00 0.00 N ATOM 27 CA ILE A 3 -1.854 -9.445 -4.446 1.00 0.00 C ATOM 28 C ILE A 3 -2.334 -8.000 -4.599 1.00 0.00 C ATOM 29 O ILE A 3 -2.904 -7.430 -3.670 1.00 0.00 O ATOM 30 CB ILE A 3 -0.334 -9.581 -4.340 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.118 -9.570 -2.879 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.371 -8.503 -5.167 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.275 -8.137 -2.365 1.00 0.00 C ATOM 0 HA ILE A 3 -2.249 -9.814 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.048 -10.546 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.609 -10.103 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.065 -10.100 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.451 -8.622 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.083 -8.601 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.082 -7.517 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.597 -8.157 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.020 -7.615 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.680 -7.617 -2.439 1.00 0.00 H new ATOM 45 N GLU A 4 -2.085 -7.450 -5.778 1.00 0.00 N ATOM 46 CA GLU A 4 -2.484 -6.083 -6.065 1.00 0.00 C ATOM 47 C GLU A 4 -3.974 -5.893 -5.775 1.00 0.00 C ATOM 48 O GLU A 4 -4.365 -4.925 -5.123 1.00 0.00 O ATOM 49 CB GLU A 4 -2.155 -5.708 -7.512 1.00 0.00 C ATOM 50 CG GLU A 4 -3.186 -6.295 -8.478 1.00 0.00 C ATOM 51 CD GLU A 4 -2.804 -6.003 -9.931 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.730 -5.440 -10.188 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.669 -6.384 -10.809 1.00 0.00 O ATOM 0 H GLU A 4 -1.612 -7.926 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.919 -5.416 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.132 -4.623 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.161 -6.073 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.259 -7.372 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.169 -5.875 -8.265 1.00 0.00 H new ATOM 61 N GLU A 5 -4.766 -6.832 -6.272 1.00 0.00 N ATOM 62 CA GLU A 5 -6.204 -6.780 -6.074 1.00 0.00 C ATOM 63 C GLU A 5 -6.531 -6.647 -4.585 1.00 0.00 C ATOM 64 O GLU A 5 -7.495 -5.980 -4.214 1.00 0.00 O ATOM 65 CB GLU A 5 -6.886 -8.009 -6.677 1.00 0.00 C ATOM 66 CG GLU A 5 -6.124 -9.288 -6.321 1.00 0.00 C ATOM 67 CD GLU A 5 -7.007 -10.523 -6.509 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.209 -11.292 -5.558 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.494 -10.670 -7.695 1.00 0.00 O ATOM 0 H GLU A 5 -4.439 -7.633 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.590 -5.901 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.910 -8.078 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.941 -7.904 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.236 -9.373 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.781 -9.236 -5.288 1.00 0.00 H new ATOM 77 N ARG A 6 -5.708 -7.292 -3.771 1.00 0.00 N ATOM 78 CA ARG A 6 -5.896 -7.255 -2.331 1.00 0.00 C ATOM 79 C ARG A 6 -5.198 -6.031 -1.736 1.00 0.00 C ATOM 80 O ARG A 6 -5.568 -5.563 -0.660 1.00 0.00 O ATOM 81 CB ARG A 6 -5.345 -8.520 -1.670 1.00 0.00 C ATOM 82 CG ARG A 6 -6.265 -9.716 -1.922 1.00 0.00 C ATOM 83 CD ARG A 6 -5.507 -11.035 -1.758 1.00 0.00 C ATOM 84 NE ARG A 6 -5.359 -11.358 -0.321 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.089 -12.593 0.153 1.00 0.00 C ATOM 86 NH1 ARG A 6 -4.934 -13.633 -0.694 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.978 -12.768 1.456 1.00 0.00 N ATOM 0 H ARG A 6 -4.909 -7.844 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.967 -7.196 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.350 -8.734 -2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.239 -8.358 -0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.105 -9.686 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.681 -9.654 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.042 -11.837 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.525 -10.960 -2.226 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.468 -10.600 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.021 -13.489 -1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.730 -14.563 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.096 -11.977 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.774 -13.695 1.831 1.00 0.00 H new ATOM 100 N VAL A 7 -4.201 -5.547 -2.462 1.00 0.00 N ATOM 101 CA VAL A 7 -3.448 -4.386 -2.019 1.00 0.00 C ATOM 102 C VAL A 7 -4.375 -3.170 -1.969 1.00 0.00 C ATOM 103 O VAL A 7 -4.266 -2.338 -1.070 1.00 0.00 O ATOM 104 CB VAL A 7 -2.232 -4.174 -2.925 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.611 -2.795 -2.694 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.198 -5.283 -2.722 1.00 0.00 C ATOM 0 H VAL A 7 -3.897 -5.938 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.063 -4.543 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.572 -4.219 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.749 -2.670 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.348 -2.023 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.292 -2.709 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.344 -5.109 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.865 -5.284 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.647 -6.247 -2.960 1.00 0.00 H new ATOM 116 N LYS A 8 -5.267 -3.106 -2.947 1.00 0.00 N ATOM 117 CA LYS A 8 -6.213 -2.005 -3.026 1.00 0.00 C ATOM 118 C LYS A 8 -7.037 -1.954 -1.738 1.00 0.00 C ATOM 119 O LYS A 8 -7.500 -0.888 -1.335 1.00 0.00 O ATOM 120 CB LYS A 8 -7.061 -2.118 -4.294 1.00 0.00 C ATOM 121 CG LYS A 8 -6.176 -2.218 -5.538 1.00 0.00 C ATOM 122 CD LYS A 8 -4.959 -1.298 -5.421 1.00 0.00 C ATOM 123 CE LYS A 8 -4.369 -0.992 -6.799 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.326 -0.207 -7.610 1.00 0.00 N ATOM 0 H LYS A 8 -5.355 -3.798 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.686 -1.054 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.704 -2.996 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.715 -1.250 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.846 -3.248 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.754 -1.951 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.247 -0.368 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.202 -1.768 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.437 -0.437 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.126 -1.923 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.890 0.035 -8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.185 -0.770 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.576 0.666 -7.103 1.00 0.00 H new ATOM 137 N LYS A 9 -7.196 -3.119 -1.127 1.00 0.00 N ATOM 138 CA LYS A 9 -7.956 -3.220 0.107 1.00 0.00 C ATOM 139 C LYS A 9 -7.148 -2.604 1.251 1.00 0.00 C ATOM 140 O LYS A 9 -7.619 -1.691 1.926 1.00 0.00 O ATOM 141 CB LYS A 9 -8.375 -4.670 0.361 1.00 0.00 C ATOM 142 CG LYS A 9 -9.351 -5.155 -0.713 1.00 0.00 C ATOM 143 CD LYS A 9 -9.583 -6.663 -0.602 1.00 0.00 C ATOM 144 CE LYS A 9 -10.694 -7.118 -1.552 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.012 -7.036 -0.884 1.00 0.00 N ATOM 0 H LYS A 9 -6.811 -4.001 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.884 -2.653 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.493 -5.311 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.840 -4.751 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.300 -4.629 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.958 -4.916 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.660 -7.195 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.849 -6.919 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.694 -6.495 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.507 -8.142 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.755 -7.348 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.014 -7.649 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.195 -6.053 -0.596 1.00 0.00 H new ATOM 158 N ILE A 10 -5.945 -3.129 1.432 1.00 0.00 N ATOM 159 CA ILE A 10 -5.067 -2.642 2.483 1.00 0.00 C ATOM 160 C ILE A 10 -4.991 -1.116 2.411 1.00 0.00 C ATOM 161 O ILE A 10 -5.484 -0.424 3.300 1.00 0.00 O ATOM 162 CB ILE A 10 -3.703 -3.331 2.403 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.802 -4.796 2.832 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.655 -2.566 3.213 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.537 -5.566 2.450 1.00 0.00 C ATOM 0 H ILE A 10 -5.558 -3.886 0.869 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.469 -2.895 3.464 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.376 -3.322 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.955 -4.853 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.670 -5.259 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.695 -3.076 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.559 -1.554 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.964 -2.522 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.634 -6.605 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.400 -5.527 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.675 -5.116 2.942 1.00 0.00 H new ATOM 177 N ILE A 11 -4.369 -0.636 1.344 1.00 0.00 N ATOM 178 CA ILE A 11 -4.222 0.796 1.145 1.00 0.00 C ATOM 179 C ILE A 11 -5.552 1.488 1.448 1.00 0.00 C ATOM 180 O ILE A 11 -5.573 2.645 1.865 1.00 0.00 O ATOM 181 CB ILE A 11 -3.681 1.089 -0.256 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.428 0.261 -0.545 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.435 2.587 -0.447 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.468 0.285 0.646 1.00 0.00 C ATOM 0 H ILE A 11 -3.961 -1.213 0.608 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.486 1.203 1.838 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.437 0.792 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.711 -0.768 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.925 0.652 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.051 2.768 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.371 3.129 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.708 2.933 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.586 -0.311 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.168 1.313 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.966 -0.129 1.523 1.00 0.00 H new ATOM 196 N GLY A 12 -6.630 0.751 1.226 1.00 0.00 N ATOM 197 CA GLY A 12 -7.962 1.279 1.471 1.00 0.00 C ATOM 198 C GLY A 12 -8.235 1.404 2.971 1.00 0.00 C ATOM 199 O GLY A 12 -7.954 2.439 3.573 1.00 0.00 O ATOM 0 H GLY A 12 -6.609 -0.208 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.063 2.255 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.706 0.625 1.016 1.00 0.00 H new ATOM 203 N GLN A 13 -8.780 0.334 3.532 1.00 0.00 N ATOM 204 CA GLN A 13 -9.094 0.311 4.950 1.00 0.00 C ATOM 205 C GLN A 13 -8.014 1.047 5.745 1.00 0.00 C ATOM 206 O GLN A 13 -8.321 1.777 6.687 1.00 0.00 O ATOM 207 CB GLN A 13 -9.261 -1.125 5.451 1.00 0.00 C ATOM 208 CG GLN A 13 -10.571 -1.287 6.225 1.00 0.00 C ATOM 209 CD GLN A 13 -10.681 -0.245 7.341 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.816 0.944 7.103 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.616 -0.756 8.567 1.00 0.00 N ATOM 0 H GLN A 13 -9.012 -0.523 3.030 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.043 0.826 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.247 -1.813 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.420 -1.390 6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.415 -1.185 5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.624 -2.289 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.502 -1.762 8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.680 -0.142 9.379 1.00 0.00 H new ATOM 220 N GLN A 14 -6.773 0.829 5.338 1.00 0.00 N ATOM 221 CA GLN A 14 -5.646 1.463 6.001 1.00 0.00 C ATOM 222 C GLN A 14 -5.686 2.977 5.786 1.00 0.00 C ATOM 223 O GLN A 14 -6.234 3.710 6.608 1.00 0.00 O ATOM 224 CB GLN A 14 -4.320 0.875 5.511 1.00 0.00 C ATOM 225 CG GLN A 14 -4.187 -0.592 5.923 1.00 0.00 C ATOM 226 CD GLN A 14 -4.520 -0.779 7.404 1.00 0.00 C ATOM 227 OE1 GLN A 14 -3.462 -0.725 8.208 1.00 0.00 O flip ATOM 228 NE2 GLN A 14 -5.663 -0.961 7.791 1.00 0.00 N flip ATOM 0 H GLN A 14 -6.522 0.222 4.557 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.721 1.265 7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.259 0.959 4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.489 1.449 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.854 -1.205 5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.171 -0.937 5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.430 -0.991 7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.851 -1.083 8.786 1.00 0.00 H new ATOM 237 N LEU A 15 -5.100 3.401 4.676 1.00 0.00 N ATOM 238 CA LEU A 15 -5.062 4.815 4.343 1.00 0.00 C ATOM 239 C LEU A 15 -6.472 5.399 4.458 1.00 0.00 C ATOM 240 O LEU A 15 -6.708 6.306 5.255 1.00 0.00 O ATOM 241 CB LEU A 15 -4.420 5.025 2.970 1.00 0.00 C ATOM 242 CG LEU A 15 -3.127 4.249 2.709 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.236 4.989 1.709 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.394 3.950 4.018 1.00 0.00 C ATOM 0 H LEU A 15 -4.648 2.790 3.996 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.433 5.356 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.146 4.750 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.214 6.088 2.846 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.388 3.291 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.324 4.416 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.769 5.108 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.980 5.971 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.479 3.398 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.145 4.886 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.035 3.353 4.666 1.00 0.00 H new ATOM 256 N GLY A 16 -7.371 4.856 3.650 1.00 0.00 N ATOM 257 CA GLY A 16 -8.750 5.313 3.651 1.00 0.00 C ATOM 258 C GLY A 16 -9.115 5.960 2.314 1.00 0.00 C ATOM 259 O GLY A 16 -9.072 7.182 2.179 1.00 0.00 O ATOM 0 H GLY A 16 -7.171 4.104 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.415 4.472 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.898 6.030 4.458 1.00 0.00 H new ATOM 263 N VAL A 17 -9.466 5.111 1.358 1.00 0.00 N ATOM 264 CA VAL A 17 -9.838 5.585 0.036 1.00 0.00 C ATOM 265 C VAL A 17 -11.007 4.750 -0.490 1.00 0.00 C ATOM 266 O VAL A 17 -11.321 3.697 0.063 1.00 0.00 O ATOM 267 CB VAL A 17 -8.620 5.560 -0.890 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.766 6.588 -2.015 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.328 5.787 -0.104 1.00 0.00 C ATOM 0 H VAL A 17 -9.500 4.098 1.473 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.174 6.621 0.081 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.565 4.571 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.887 6.550 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.656 6.361 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.859 7.586 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.478 5.764 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.369 6.757 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.214 5.002 0.643 1.00 0.00 H new ATOM 279 N LYS A 18 -11.619 5.251 -1.553 1.00 0.00 N ATOM 280 CA LYS A 18 -12.747 4.564 -2.160 1.00 0.00 C ATOM 281 C LYS A 18 -12.228 3.505 -3.134 1.00 0.00 C ATOM 282 O LYS A 18 -11.025 3.407 -3.368 1.00 0.00 O ATOM 283 CB LYS A 18 -13.706 5.570 -2.798 1.00 0.00 C ATOM 284 CG LYS A 18 -14.516 6.309 -1.731 1.00 0.00 C ATOM 285 CD LYS A 18 -13.738 7.508 -1.185 1.00 0.00 C ATOM 286 CE LYS A 18 -14.279 7.937 0.180 1.00 0.00 C ATOM 287 NZ LYS A 18 -15.059 9.189 0.058 1.00 0.00 N ATOM 0 H LYS A 18 -11.355 6.124 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.329 4.042 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.142 6.288 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.382 5.052 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.461 6.647 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.759 5.627 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.682 7.252 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.807 8.340 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.908 7.148 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.453 8.083 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.419 9.466 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.448 9.943 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.858 9.038 -0.590 1.00 0.00 H new ATOM 300 N GLN A 19 -13.163 2.738 -3.677 1.00 0.00 N ATOM 301 CA GLN A 19 -12.815 1.690 -4.621 1.00 0.00 C ATOM 302 C GLN A 19 -12.675 2.269 -6.030 1.00 0.00 C ATOM 303 O GLN A 19 -12.287 1.563 -6.960 1.00 0.00 O ATOM 304 CB GLN A 19 -13.848 0.561 -4.593 1.00 0.00 C ATOM 305 CG GLN A 19 -15.152 0.995 -5.266 1.00 0.00 C ATOM 306 CD GLN A 19 -15.503 0.068 -6.431 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.785 -0.038 -7.412 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.644 -0.596 -6.269 1.00 0.00 N ATOM 0 H GLN A 19 -14.160 2.822 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.855 1.267 -4.326 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.447 -0.316 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.046 0.270 -3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.961 0.990 -4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.056 2.019 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.197 -0.461 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.966 -1.241 -6.991 1.00 0.00 H new ATOM 317 N GLU A 20 -12.998 3.549 -6.144 1.00 0.00 N ATOM 318 CA GLU A 20 -12.913 4.232 -7.424 1.00 0.00 C ATOM 319 C GLU A 20 -11.843 5.324 -7.373 1.00 0.00 C ATOM 320 O GLU A 20 -11.666 6.070 -8.335 1.00 0.00 O ATOM 321 CB GLU A 20 -14.270 4.813 -7.827 1.00 0.00 C ATOM 322 CG GLU A 20 -14.752 5.842 -6.802 1.00 0.00 C ATOM 323 CD GLU A 20 -15.984 5.332 -6.051 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.036 4.151 -5.675 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.908 6.211 -5.859 1.00 0.00 O ATOM 0 H GLU A 20 -13.319 4.131 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.626 3.504 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.192 5.281 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.002 4.010 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.952 6.056 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.991 6.778 -7.306 1.00 0.00 H new ATOM 333 N GLU A 21 -11.157 5.383 -6.241 1.00 0.00 N ATOM 334 CA GLU A 21 -10.109 6.372 -6.052 1.00 0.00 C ATOM 335 C GLU A 21 -8.776 5.681 -5.755 1.00 0.00 C ATOM 336 O GLU A 21 -7.793 6.340 -5.418 1.00 0.00 O ATOM 337 CB GLU A 21 -10.476 7.355 -4.939 1.00 0.00 C ATOM 338 CG GLU A 21 -11.747 8.131 -5.291 1.00 0.00 C ATOM 339 CD GLU A 21 -11.508 9.640 -5.212 1.00 0.00 C ATOM 340 OE1 GLU A 21 -10.634 10.090 -4.456 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.269 10.353 -5.971 1.00 0.00 O ATOM 0 H GLU A 21 -11.306 4.762 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.004 6.942 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.623 6.814 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.653 8.051 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.074 7.863 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.549 7.850 -4.609 1.00 0.00 H new ATOM 349 N VAL A 22 -8.785 4.364 -5.893 1.00 0.00 N ATOM 350 CA VAL A 22 -7.588 3.577 -5.643 1.00 0.00 C ATOM 351 C VAL A 22 -7.088 2.986 -6.963 1.00 0.00 C ATOM 352 O VAL A 22 -7.581 1.952 -7.411 1.00 0.00 O ATOM 353 CB VAL A 22 -7.874 2.513 -4.582 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.788 1.435 -4.581 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.020 3.146 -3.197 1.00 0.00 C ATOM 0 H VAL A 22 -9.601 3.821 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.792 4.207 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.821 2.035 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.015 0.691 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.752 0.953 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.822 1.892 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.223 2.368 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.097 3.663 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.844 3.859 -3.208 1.00 0.00 H new ATOM 365 N THR A 23 -6.114 3.668 -7.548 1.00 0.00 N ATOM 366 CA THR A 23 -5.542 3.224 -8.808 1.00 0.00 C ATOM 367 C THR A 23 -4.102 2.748 -8.600 1.00 0.00 C ATOM 368 O THR A 23 -3.671 2.537 -7.468 1.00 0.00 O ATOM 369 CB THR A 23 -5.664 4.370 -9.813 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.902 5.425 -9.233 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.084 4.934 -9.888 1.00 0.00 C ATOM 0 H THR A 23 -5.707 4.525 -7.173 1.00 0.00 H new ATOM 0 HA THR A 23 -6.081 2.365 -9.207 1.00 0.00 H new ATOM 0 HB THR A 23 -5.359 4.021 -10.799 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.656 6.071 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.116 5.745 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.773 4.146 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.377 5.314 -8.909 1.00 0.00 H new ATOM 379 N ASN A 24 -3.398 2.594 -9.712 1.00 0.00 N ATOM 380 CA ASN A 24 -2.016 2.148 -9.667 1.00 0.00 C ATOM 381 C ASN A 24 -1.089 3.358 -9.799 1.00 0.00 C ATOM 382 O ASN A 24 0.002 3.373 -9.231 1.00 0.00 O ATOM 383 CB ASN A 24 -1.709 1.189 -10.819 1.00 0.00 C ATOM 384 CG ASN A 24 -2.123 -0.242 -10.467 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.127 -0.649 -9.317 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.469 -0.979 -11.518 1.00 0.00 N ATOM 0 H ASN A 24 -3.759 2.770 -10.650 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.858 1.635 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.235 1.513 -11.717 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.643 1.218 -11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.760 -1.948 -11.388 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.443 -0.576 -12.454 1.00 0.00 H new ATOM 393 N ASN A 25 -1.557 4.342 -10.552 1.00 0.00 N ATOM 394 CA ASN A 25 -0.784 5.553 -10.766 1.00 0.00 C ATOM 395 C ASN A 25 -1.433 6.709 -10.002 1.00 0.00 C ATOM 396 O ASN A 25 -1.656 7.781 -10.564 1.00 0.00 O ATOM 397 CB ASN A 25 -0.746 5.928 -12.249 1.00 0.00 C ATOM 398 CG ASN A 25 0.030 4.887 -13.058 1.00 0.00 C ATOM 399 OD1 ASN A 25 -0.428 3.781 -13.297 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.226 5.300 -13.465 1.00 0.00 N ATOM 0 H ASN A 25 -2.462 4.325 -11.022 1.00 0.00 H new ATOM 0 HA ASN A 25 0.232 5.371 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.763 6.009 -12.634 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.281 6.907 -12.368 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.821 4.678 -14.012 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.549 6.239 -13.230 1.00 0.00 H new ATOM 407 N ALA A 26 -1.719 6.453 -8.734 1.00 0.00 N ATOM 408 CA ALA A 26 -2.338 7.459 -7.888 1.00 0.00 C ATOM 409 C ALA A 26 -1.371 7.840 -6.766 1.00 0.00 C ATOM 410 O ALA A 26 -1.197 7.087 -5.809 1.00 0.00 O ATOM 411 CB ALA A 26 -3.670 6.927 -7.355 1.00 0.00 C ATOM 0 H ALA A 26 -1.533 5.563 -8.272 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.553 8.363 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.135 7.681 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.331 6.698 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.494 6.022 -6.774 1.00 0.00 H new ATOM 417 N SER A 27 -0.768 9.010 -6.920 1.00 0.00 N ATOM 418 CA SER A 27 0.177 9.500 -5.931 1.00 0.00 C ATOM 419 C SER A 27 -0.564 9.906 -4.655 1.00 0.00 C ATOM 420 O SER A 27 -0.636 11.088 -4.324 1.00 0.00 O ATOM 421 CB SER A 27 0.981 10.682 -6.476 1.00 0.00 C ATOM 422 OG SER A 27 1.439 10.449 -7.805 1.00 0.00 O ATOM 0 H SER A 27 -0.916 9.632 -7.714 1.00 0.00 H new ATOM 0 HA SER A 27 0.876 8.696 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.363 11.580 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.835 10.870 -5.826 1.00 0.00 H new ATOM 0 HG SER A 27 1.946 11.227 -8.117 1.00 0.00 H new ATOM 428 N PHE A 28 -1.096 8.902 -3.973 1.00 0.00 N ATOM 429 CA PHE A 28 -1.829 9.139 -2.741 1.00 0.00 C ATOM 430 C PHE A 28 -1.223 10.306 -1.959 1.00 0.00 C ATOM 431 O PHE A 28 -1.946 11.180 -1.482 1.00 0.00 O ATOM 432 CB PHE A 28 -1.716 7.865 -1.902 1.00 0.00 C ATOM 433 CG PHE A 28 -2.821 6.842 -2.173 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.239 6.613 -3.446 1.00 0.00 C ATOM 435 CD2 PHE A 28 -3.385 6.160 -1.140 1.00 0.00 C ATOM 436 CE1 PHE A 28 -4.264 5.664 -3.698 1.00 0.00 C ATOM 437 CE2 PHE A 28 -4.410 5.210 -1.391 1.00 0.00 C ATOM 438 CZ PHE A 28 -4.828 4.982 -2.665 1.00 0.00 C ATOM 0 H PHE A 28 -1.034 7.922 -4.250 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.866 9.387 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.749 7.400 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.735 8.135 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.791 7.154 -4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.053 6.341 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.596 5.483 -4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.858 4.669 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.608 4.260 -2.856 1.00 0.00 H new ATOM 448 N VAL A 29 0.097 10.283 -1.852 1.00 0.00 N ATOM 449 CA VAL A 29 0.808 11.328 -1.136 1.00 0.00 C ATOM 450 C VAL A 29 0.174 12.683 -1.456 1.00 0.00 C ATOM 451 O VAL A 29 -0.484 13.281 -0.606 1.00 0.00 O ATOM 452 CB VAL A 29 2.300 11.272 -1.473 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.051 10.373 -0.488 1.00 0.00 C ATOM 454 CG2 VAL A 29 2.519 10.810 -2.914 1.00 0.00 C ATOM 0 H VAL A 29 0.693 9.557 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 29 0.725 11.177 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 29 2.703 12.280 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.109 10.350 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.936 10.764 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.644 9.363 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.587 10.779 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.093 9.815 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.032 11.506 -3.597 1.00 0.00 H new ATOM 464 N GLU A 30 0.393 13.127 -2.686 1.00 0.00 N ATOM 465 CA GLU A 30 -0.150 14.399 -3.129 1.00 0.00 C ATOM 466 C GLU A 30 -1.630 14.250 -3.485 1.00 0.00 C ATOM 467 O GLU A 30 -2.489 14.865 -2.854 1.00 0.00 O ATOM 468 CB GLU A 30 0.646 14.951 -4.314 1.00 0.00 C ATOM 469 CG GLU A 30 0.094 16.307 -4.761 1.00 0.00 C ATOM 470 CD GLU A 30 -0.928 16.138 -5.887 1.00 0.00 C ATOM 471 OE1 GLU A 30 -0.777 15.244 -6.732 1.00 0.00 O ATOM 472 OE2 GLU A 30 -1.907 16.978 -5.865 1.00 0.00 O ATOM 0 H GLU A 30 0.939 12.628 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.064 15.113 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.695 15.055 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.605 14.246 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.372 16.811 -3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.912 16.943 -5.100 1.00 0.00 H new ATOM 480 N ASP A 31 -1.884 13.430 -4.494 1.00 0.00 N ATOM 481 CA ASP A 31 -3.246 13.193 -4.941 1.00 0.00 C ATOM 482 C ASP A 31 -4.173 13.129 -3.726 1.00 0.00 C ATOM 483 O ASP A 31 -5.094 13.934 -3.600 1.00 0.00 O ATOM 484 CB ASP A 31 -3.356 11.863 -5.690 1.00 0.00 C ATOM 485 CG ASP A 31 -3.637 11.987 -7.189 1.00 0.00 C ATOM 486 OD1 ASP A 31 -2.769 11.703 -8.028 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.822 12.400 -7.489 1.00 0.00 O ATOM 0 H ASP A 31 -1.170 12.921 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.529 14.007 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.427 11.309 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.150 11.271 -5.234 1.00 0.00 H new ATOM 493 N LEU A 32 -3.898 12.163 -2.862 1.00 0.00 N ATOM 494 CA LEU A 32 -4.696 11.983 -1.661 1.00 0.00 C ATOM 495 C LEU A 32 -4.026 12.712 -0.495 1.00 0.00 C ATOM 496 O LEU A 32 -3.970 13.941 -0.476 1.00 0.00 O ATOM 497 CB LEU A 32 -4.939 10.496 -1.397 1.00 0.00 C ATOM 498 CG LEU A 32 -5.902 9.793 -2.357 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.368 8.416 -2.759 1.00 0.00 C ATOM 500 CD2 LEU A 32 -7.308 9.711 -1.762 1.00 0.00 C ATOM 0 H LEU A 32 -3.133 11.496 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.683 12.426 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.980 9.979 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.323 10.385 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.972 10.389 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.071 7.938 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.403 8.530 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.249 7.798 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.972 9.207 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.276 9.150 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.681 10.717 -1.569 1.00 0.00 H new ATOM 512 N GLY A 33 -3.534 11.924 0.450 1.00 0.00 N ATOM 513 CA GLY A 33 -2.870 12.480 1.617 1.00 0.00 C ATOM 514 C GLY A 33 -2.462 11.375 2.594 1.00 0.00 C ATOM 515 O GLY A 33 -3.183 11.089 3.549 1.00 0.00 O ATOM 0 H GLY A 33 -3.582 10.905 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.988 13.039 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.534 13.185 2.117 1.00 0.00 H new ATOM 519 N ALA A 34 -1.308 10.785 2.321 1.00 0.00 N ATOM 520 CA ALA A 34 -0.796 9.718 3.164 1.00 0.00 C ATOM 521 C ALA A 34 0.005 10.325 4.318 1.00 0.00 C ATOM 522 O ALA A 34 1.139 9.921 4.571 1.00 0.00 O ATOM 523 CB ALA A 34 0.040 8.755 2.317 1.00 0.00 C ATOM 0 H ALA A 34 -0.713 11.025 1.528 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.615 9.145 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.424 7.954 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.582 8.329 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.874 9.295 1.868 1.00 0.00 H new ATOM 529 N ASP A 35 -0.617 11.285 4.986 1.00 0.00 N ATOM 530 CA ASP A 35 0.024 11.952 6.107 1.00 0.00 C ATOM 531 C ASP A 35 -0.574 11.428 7.415 1.00 0.00 C ATOM 532 O ASP A 35 -0.684 12.168 8.391 1.00 0.00 O ATOM 533 CB ASP A 35 -0.207 13.463 6.054 1.00 0.00 C ATOM 534 CG ASP A 35 1.063 14.314 6.124 1.00 0.00 C ATOM 535 OD1 ASP A 35 2.155 13.808 6.420 1.00 0.00 O ATOM 536 OD2 ASP A 35 0.897 15.564 5.855 1.00 0.00 O ATOM 0 H ASP A 35 -1.558 11.617 4.773 1.00 0.00 H new ATOM 0 HA ASP A 35 1.094 11.749 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.736 13.702 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.861 13.745 6.879 1.00 0.00 H new ATOM 542 N SER A 36 -0.943 10.156 7.392 1.00 0.00 N ATOM 543 CA SER A 36 -1.527 9.525 8.564 1.00 0.00 C ATOM 544 C SER A 36 -1.880 8.069 8.253 1.00 0.00 C ATOM 545 O SER A 36 -2.718 7.800 7.394 1.00 0.00 O ATOM 546 CB SER A 36 -2.768 10.283 9.037 1.00 0.00 C ATOM 547 OG SER A 36 -2.915 10.236 10.454 1.00 0.00 O ATOM 0 H SER A 36 -0.849 9.545 6.581 1.00 0.00 H new ATOM 0 HA SER A 36 -0.792 9.550 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.703 11.322 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.654 9.857 8.566 1.00 0.00 H new ATOM 0 HG SER A 36 -3.718 10.733 10.716 1.00 0.00 H new ATOM 553 N LEU A 37 -1.223 7.169 8.969 1.00 0.00 N ATOM 554 CA LEU A 37 -1.457 5.747 8.780 1.00 0.00 C ATOM 555 C LEU A 37 -1.161 5.374 7.326 1.00 0.00 C ATOM 556 O LEU A 37 -1.722 4.414 6.801 1.00 0.00 O ATOM 557 CB LEU A 37 -2.868 5.371 9.236 1.00 0.00 C ATOM 558 CG LEU A 37 -3.413 6.145 10.438 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.932 6.305 10.345 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.985 5.489 11.752 1.00 0.00 C ATOM 0 H LEU A 37 -0.529 7.396 9.681 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.779 5.164 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.550 5.514 8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.879 4.308 9.478 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.983 7.146 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.293 6.859 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.186 6.849 9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.401 5.321 10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.385 6.059 12.590 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.367 4.469 11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.897 5.471 11.812 1.00 0.00 H new ATOM 572 N ASP A 38 -0.280 6.154 6.716 1.00 0.00 N ATOM 573 CA ASP A 38 0.097 5.918 5.333 1.00 0.00 C ATOM 574 C ASP A 38 0.968 4.663 5.253 1.00 0.00 C ATOM 575 O ASP A 38 0.459 3.561 5.055 1.00 0.00 O ATOM 576 CB ASP A 38 0.905 7.091 4.774 1.00 0.00 C ATOM 577 CG ASP A 38 1.717 6.776 3.516 1.00 0.00 C ATOM 578 OD1 ASP A 38 1.229 6.108 2.593 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.915 7.254 3.506 1.00 0.00 O ATOM 0 H ASP A 38 0.183 6.950 7.155 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.817 5.800 4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.221 7.910 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.586 7.445 5.548 1.00 0.00 H new ATOM 585 N THR A 39 2.267 4.872 5.412 1.00 0.00 N ATOM 586 CA THR A 39 3.214 3.771 5.361 1.00 0.00 C ATOM 587 C THR A 39 3.022 2.846 6.564 1.00 0.00 C ATOM 588 O THR A 39 2.800 1.647 6.401 1.00 0.00 O ATOM 589 CB THR A 39 4.622 4.362 5.268 1.00 0.00 C ATOM 590 OG1 THR A 39 4.836 4.529 3.869 1.00 0.00 O ATOM 591 CG2 THR A 39 5.704 3.368 5.695 1.00 0.00 C ATOM 0 H THR A 39 2.686 5.787 5.576 1.00 0.00 H new ATOM 0 HA THR A 39 3.049 3.148 4.482 1.00 0.00 H new ATOM 0 HB THR A 39 4.683 5.254 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.652 5.052 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.684 3.838 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.534 3.067 6.729 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.666 2.490 5.051 1.00 0.00 H new ATOM 599 N VAL A 40 3.114 3.438 7.746 1.00 0.00 N ATOM 600 CA VAL A 40 2.953 2.682 8.976 1.00 0.00 C ATOM 601 C VAL A 40 1.852 1.637 8.788 1.00 0.00 C ATOM 602 O VAL A 40 2.134 0.485 8.461 1.00 0.00 O ATOM 603 CB VAL A 40 2.681 3.633 10.143 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.300 2.857 11.406 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.884 4.543 10.401 1.00 0.00 C ATOM 0 H VAL A 40 3.298 4.433 7.878 1.00 0.00 H new ATOM 0 HA VAL A 40 3.871 2.146 9.217 1.00 0.00 H new ATOM 0 HB VAL A 40 1.836 4.264 9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.112 3.557 12.220 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.401 2.271 11.216 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.116 2.189 11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.664 5.209 11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.755 3.934 10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.090 5.135 9.509 1.00 0.00 H new ATOM 615 N GLU A 41 0.620 2.077 9.001 1.00 0.00 N ATOM 616 CA GLU A 41 -0.525 1.194 8.859 1.00 0.00 C ATOM 617 C GLU A 41 -0.320 0.246 7.675 1.00 0.00 C ATOM 618 O GLU A 41 -0.432 -0.970 7.823 1.00 0.00 O ATOM 619 CB GLU A 41 -1.819 1.995 8.702 1.00 0.00 C ATOM 620 CG GLU A 41 -2.686 1.887 9.958 1.00 0.00 C ATOM 621 CD GLU A 41 -4.161 2.123 9.628 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.020 2.017 10.516 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.402 2.428 8.398 1.00 0.00 O ATOM 0 H GLU A 41 0.390 3.033 9.271 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.614 0.597 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.582 3.041 8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.375 1.629 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.563 0.901 10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.354 2.616 10.697 1.00 0.00 H new ATOM 631 N LEU A 42 -0.023 0.838 6.528 1.00 0.00 N ATOM 632 CA LEU A 42 0.198 0.062 5.320 1.00 0.00 C ATOM 633 C LEU A 42 1.126 -1.113 5.637 1.00 0.00 C ATOM 634 O LEU A 42 0.795 -2.264 5.353 1.00 0.00 O ATOM 635 CB LEU A 42 0.708 0.960 4.192 1.00 0.00 C ATOM 636 CG LEU A 42 1.351 0.244 3.002 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.476 1.181 1.800 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.697 -0.369 3.394 1.00 0.00 C ATOM 0 H LEU A 42 0.070 1.847 6.410 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.741 -0.360 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.127 1.556 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.437 1.655 4.609 1.00 0.00 H new ATOM 0 HG LEU A 42 0.698 -0.576 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.936 0.647 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.486 1.528 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.095 2.037 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.133 -0.872 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.370 0.418 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.548 -1.091 4.197 1.00 0.00 H new ATOM 650 N VAL A 43 2.268 -0.783 6.221 1.00 0.00 N ATOM 651 CA VAL A 43 3.245 -1.797 6.580 1.00 0.00 C ATOM 652 C VAL A 43 2.523 -3.010 7.170 1.00 0.00 C ATOM 653 O VAL A 43 2.404 -4.045 6.516 1.00 0.00 O ATOM 654 CB VAL A 43 4.290 -1.204 7.527 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.434 -2.192 7.769 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.821 0.128 6.994 1.00 0.00 C ATOM 0 H VAL A 43 2.539 0.172 6.455 1.00 0.00 H new ATOM 0 HA VAL A 43 3.783 -2.138 5.696 1.00 0.00 H new ATOM 0 HB VAL A 43 3.804 -1.012 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.163 -1.746 8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.038 -3.105 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.916 -2.429 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.562 0.527 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.282 -0.028 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.997 0.835 6.896 1.00 0.00 H new ATOM 666 N MET A 44 2.059 -2.841 8.400 1.00 0.00 N ATOM 667 CA MET A 44 1.351 -3.909 9.085 1.00 0.00 C ATOM 668 C MET A 44 0.359 -4.600 8.148 1.00 0.00 C ATOM 669 O MET A 44 0.375 -5.822 8.013 1.00 0.00 O ATOM 670 CB MET A 44 0.601 -3.334 10.289 1.00 0.00 C ATOM 671 CG MET A 44 1.557 -3.065 11.453 1.00 0.00 C ATOM 672 SD MET A 44 2.220 -4.605 12.067 1.00 0.00 S ATOM 673 CE MET A 44 3.931 -4.143 12.278 1.00 0.00 C ATOM 0 H MET A 44 2.160 -1.981 8.939 1.00 0.00 H new ATOM 0 HA MET A 44 2.081 -4.647 9.418 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.101 -2.408 10.003 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.175 -4.031 10.605 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.368 -2.415 11.125 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.032 -2.541 12.252 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.494 -4.995 12.658 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.345 -3.834 11.318 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.000 -3.317 12.986 1.00 0.00 H new ATOM 683 N ALA A 45 -0.480 -3.787 7.523 1.00 0.00 N ATOM 684 CA ALA A 45 -1.477 -4.304 6.602 1.00 0.00 C ATOM 685 C ALA A 45 -0.786 -5.148 5.529 1.00 0.00 C ATOM 686 O ALA A 45 -0.885 -6.374 5.539 1.00 0.00 O ATOM 687 CB ALA A 45 -2.274 -3.142 6.006 1.00 0.00 C ATOM 0 H ALA A 45 -0.490 -2.773 7.637 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.183 -4.949 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.022 -3.530 5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.770 -2.593 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.599 -2.474 5.472 1.00 0.00 H new ATOM 693 N LEU A 46 -0.100 -4.457 4.630 1.00 0.00 N ATOM 694 CA LEU A 46 0.608 -5.127 3.553 1.00 0.00 C ATOM 695 C LEU A 46 1.420 -6.290 4.127 1.00 0.00 C ATOM 696 O LEU A 46 1.726 -7.248 3.419 1.00 0.00 O ATOM 697 CB LEU A 46 1.448 -4.125 2.758 1.00 0.00 C ATOM 698 CG LEU A 46 0.711 -3.354 1.661 1.00 0.00 C ATOM 699 CD1 LEU A 46 1.607 -2.272 1.055 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.162 -4.306 0.596 1.00 0.00 C ATOM 0 H LEU A 46 -0.020 -3.440 4.626 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.099 -5.552 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.876 -3.405 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.281 -4.660 2.302 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.143 -2.849 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.059 -1.739 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.908 -1.571 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.494 -2.735 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.357 -3.732 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.985 -4.858 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.534 -5.007 1.058 1.00 0.00 H new ATOM 712 N GLU A 47 1.746 -6.168 5.406 1.00 0.00 N ATOM 713 CA GLU A 47 2.516 -7.196 6.084 1.00 0.00 C ATOM 714 C GLU A 47 1.623 -8.393 6.419 1.00 0.00 C ATOM 715 O GLU A 47 1.962 -9.533 6.102 1.00 0.00 O ATOM 716 CB GLU A 47 3.184 -6.641 7.343 1.00 0.00 C ATOM 717 CG GLU A 47 4.556 -6.046 7.019 1.00 0.00 C ATOM 718 CD GLU A 47 5.672 -6.840 7.700 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.200 -6.405 8.734 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.988 -7.947 7.118 1.00 0.00 O ATOM 0 H GLU A 47 1.490 -5.372 5.990 1.00 0.00 H new ATOM 0 HA GLU A 47 3.306 -7.533 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.548 -5.876 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.293 -7.435 8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.711 -6.046 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.592 -5.007 7.346 1.00 0.00 H new ATOM 728 N GLU A 48 0.501 -8.094 7.055 1.00 0.00 N ATOM 729 CA GLU A 48 -0.443 -9.131 7.437 1.00 0.00 C ATOM 730 C GLU A 48 -0.868 -9.939 6.209 1.00 0.00 C ATOM 731 O GLU A 48 -0.963 -11.164 6.271 1.00 0.00 O ATOM 732 CB GLU A 48 -1.659 -8.532 8.147 1.00 0.00 C ATOM 733 CG GLU A 48 -1.734 -9.007 9.599 1.00 0.00 C ATOM 734 CD GLU A 48 -2.837 -10.053 9.777 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.853 -10.009 9.068 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.609 -10.936 10.690 1.00 0.00 O ATOM 0 H GLU A 48 0.223 -7.148 7.316 1.00 0.00 H new ATOM 0 HA GLU A 48 0.050 -9.804 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.602 -7.444 8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.569 -8.817 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.775 -9.430 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.925 -8.157 10.254 1.00 0.00 H new ATOM 744 N GLU A 49 -1.113 -9.221 5.123 1.00 0.00 N ATOM 745 CA GLU A 49 -1.526 -9.856 3.883 1.00 0.00 C ATOM 746 C GLU A 49 -0.699 -11.119 3.633 1.00 0.00 C ATOM 747 O GLU A 49 -1.253 -12.199 3.437 1.00 0.00 O ATOM 748 CB GLU A 49 -1.415 -8.885 2.706 1.00 0.00 C ATOM 749 CG GLU A 49 -2.602 -9.039 1.754 1.00 0.00 C ATOM 750 CD GLU A 49 -2.144 -8.987 0.294 1.00 0.00 C ATOM 751 OE1 GLU A 49 -1.288 -8.162 -0.058 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.711 -9.844 -0.486 1.00 0.00 O ATOM 0 H GLU A 49 -1.033 -8.205 5.076 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.573 -10.144 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.373 -7.861 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.486 -9.067 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.107 -9.985 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.327 -8.247 1.940 1.00 0.00 H new ATOM 760 N PHE A 50 0.614 -10.940 3.647 1.00 0.00 N ATOM 761 CA PHE A 50 1.522 -12.052 3.424 1.00 0.00 C ATOM 762 C PHE A 50 2.617 -12.088 4.492 1.00 0.00 C ATOM 763 O PHE A 50 2.587 -12.931 5.388 1.00 0.00 O ATOM 764 CB PHE A 50 2.169 -11.833 2.055 1.00 0.00 C ATOM 765 CG PHE A 50 1.635 -12.756 0.959 1.00 0.00 C ATOM 766 CD1 PHE A 50 0.293 -12.893 0.780 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.500 -13.440 0.163 1.00 0.00 C ATOM 768 CE1 PHE A 50 -0.203 -13.751 -0.238 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.004 -14.297 -0.854 1.00 0.00 C ATOM 770 CZ PHE A 50 0.663 -14.435 -1.033 1.00 0.00 C ATOM 0 H PHE A 50 1.070 -10.042 3.809 1.00 0.00 H new ATOM 0 HA PHE A 50 0.975 -12.994 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.012 -10.798 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.245 -11.979 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.395 -12.350 1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.565 -13.331 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.268 -13.860 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.692 -14.840 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.286 -15.088 -1.806 1.00 0.00 H new ATOM 780 N ASP A 51 3.557 -11.164 4.362 1.00 0.00 N ATOM 781 CA ASP A 51 4.659 -11.080 5.305 1.00 0.00 C ATOM 782 C ASP A 51 5.850 -10.394 4.632 1.00 0.00 C ATOM 783 O ASP A 51 6.601 -11.029 3.894 1.00 0.00 O ATOM 784 CB ASP A 51 5.108 -12.472 5.754 1.00 0.00 C ATOM 785 CG ASP A 51 6.553 -12.558 6.248 1.00 0.00 C ATOM 786 OD1 ASP A 51 7.464 -12.932 5.494 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.730 -12.217 7.479 1.00 0.00 O ATOM 0 H ASP A 51 3.578 -10.467 3.618 1.00 0.00 H new ATOM 0 HA ASP A 51 4.318 -10.514 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.447 -12.811 6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.983 -13.164 4.921 1.00 0.00 H new ATOM 793 N THR A 52 5.985 -9.106 4.911 1.00 0.00 N ATOM 794 CA THR A 52 7.071 -8.327 4.341 1.00 0.00 C ATOM 795 C THR A 52 7.028 -6.890 4.864 1.00 0.00 C ATOM 796 O THR A 52 6.244 -6.073 4.382 1.00 0.00 O ATOM 797 CB THR A 52 6.973 -8.422 2.818 1.00 0.00 C ATOM 798 OG1 THR A 52 8.186 -9.064 2.431 1.00 0.00 O ATOM 799 CG2 THR A 52 7.044 -7.053 2.139 1.00 0.00 C ATOM 0 H THR A 52 5.360 -8.582 5.524 1.00 0.00 H new ATOM 0 HA THR A 52 8.041 -8.721 4.644 1.00 0.00 H new ATOM 0 HB THR A 52 6.039 -8.914 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.189 -9.986 2.764 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.970 -7.178 1.059 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.221 -6.430 2.489 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.992 -6.574 2.384 1.00 0.00 H new ATOM 807 N GLU A 53 7.880 -6.624 5.843 1.00 0.00 N ATOM 808 CA GLU A 53 7.949 -5.299 6.437 1.00 0.00 C ATOM 809 C GLU A 53 8.446 -4.282 5.408 1.00 0.00 C ATOM 810 O GLU A 53 9.453 -4.511 4.740 1.00 0.00 O ATOM 811 CB GLU A 53 8.840 -5.301 7.680 1.00 0.00 C ATOM 812 CG GLU A 53 10.158 -6.029 7.409 1.00 0.00 C ATOM 813 CD GLU A 53 11.338 -5.273 8.023 1.00 0.00 C ATOM 814 OE1 GLU A 53 11.235 -4.776 9.155 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.392 -5.213 7.282 1.00 0.00 O ATOM 0 H GLU A 53 8.529 -7.304 6.240 1.00 0.00 H new ATOM 0 HA GLU A 53 6.946 -5.010 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.044 -4.275 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.317 -5.783 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.113 -7.037 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.307 -6.131 6.334 1.00 0.00 H new ATOM 823 N ILE A 54 7.716 -3.180 5.312 1.00 0.00 N ATOM 824 CA ILE A 54 8.070 -2.127 4.376 1.00 0.00 C ATOM 825 C ILE A 54 8.526 -0.891 5.154 1.00 0.00 C ATOM 826 O ILE A 54 7.713 -0.212 5.779 1.00 0.00 O ATOM 827 CB ILE A 54 6.913 -1.855 3.412 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.034 -0.463 2.789 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.564 -2.059 4.104 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.432 -0.241 2.210 1.00 0.00 C ATOM 0 H ILE A 54 6.881 -2.994 5.867 1.00 0.00 H new ATOM 0 HA ILE A 54 8.908 -2.438 3.752 1.00 0.00 H new ATOM 0 HB ILE A 54 6.969 -2.577 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.288 -0.347 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.824 0.296 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.759 -1.859 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.489 -3.087 4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.482 -1.376 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.491 0.756 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.173 -0.334 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.629 -0.987 1.440 1.00 0.00 H new ATOM 842 N PRO A 55 9.859 -0.629 5.088 1.00 0.00 N ATOM 843 CA PRO A 55 10.432 0.514 5.778 1.00 0.00 C ATOM 844 C PRO A 55 10.104 1.817 5.047 1.00 0.00 C ATOM 845 O PRO A 55 10.047 1.847 3.819 1.00 0.00 O ATOM 846 CB PRO A 55 11.923 0.227 5.842 1.00 0.00 C ATOM 847 CG PRO A 55 12.190 -0.831 4.784 1.00 0.00 C ATOM 848 CD PRO A 55 10.851 -1.411 4.357 1.00 0.00 C ATOM 0 HA PRO A 55 10.023 0.650 6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.503 1.129 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.210 -0.129 6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.707 -0.394 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.836 -1.614 5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.708 -1.325 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.781 -2.470 4.605 1.00 0.00 H new ATOM 856 N ASP A 56 9.898 2.864 5.833 1.00 0.00 N ATOM 857 CA ASP A 56 9.578 4.167 5.276 1.00 0.00 C ATOM 858 C ASP A 56 10.609 4.526 4.205 1.00 0.00 C ATOM 859 O ASP A 56 10.249 4.963 3.113 1.00 0.00 O ATOM 860 CB ASP A 56 9.618 5.252 6.354 1.00 0.00 C ATOM 861 CG ASP A 56 10.853 5.221 7.256 1.00 0.00 C ATOM 862 OD1 ASP A 56 10.984 4.352 8.131 1.00 0.00 O ATOM 863 OD2 ASP A 56 11.716 6.153 7.030 1.00 0.00 O ATOM 0 H ASP A 56 9.947 2.836 6.851 1.00 0.00 H new ATOM 0 HA ASP A 56 8.575 4.116 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.565 6.227 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.729 5.157 6.977 1.00 0.00 H new ATOM 869 N GLU A 57 11.872 4.328 4.555 1.00 0.00 N ATOM 870 CA GLU A 57 12.958 4.626 3.637 1.00 0.00 C ATOM 871 C GLU A 57 12.702 3.967 2.280 1.00 0.00 C ATOM 872 O GLU A 57 13.258 4.388 1.267 1.00 0.00 O ATOM 873 CB GLU A 57 14.303 4.183 4.217 1.00 0.00 C ATOM 874 CG GLU A 57 14.636 4.965 5.489 1.00 0.00 C ATOM 875 CD GLU A 57 15.575 6.133 5.185 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.208 7.042 4.425 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.723 6.077 5.770 1.00 0.00 O ATOM 0 H GLU A 57 12.167 3.965 5.461 1.00 0.00 H new ATOM 0 HA GLU A 57 13.000 5.706 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.274 3.116 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.089 4.333 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.717 5.340 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.101 4.300 6.217 1.00 0.00 H new ATOM 885 N GLU A 58 11.860 2.944 2.304 1.00 0.00 N ATOM 886 CA GLU A 58 11.524 2.223 1.088 1.00 0.00 C ATOM 887 C GLU A 58 10.052 2.439 0.733 1.00 0.00 C ATOM 888 O GLU A 58 9.640 2.192 -0.399 1.00 0.00 O ATOM 889 CB GLU A 58 11.842 0.733 1.229 1.00 0.00 C ATOM 890 CG GLU A 58 12.780 0.264 0.116 1.00 0.00 C ATOM 891 CD GLU A 58 12.265 -1.023 -0.531 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.068 -1.330 -0.431 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.156 -1.714 -1.156 1.00 0.00 O ATOM 0 H GLU A 58 11.401 2.597 3.146 1.00 0.00 H new ATOM 0 HA GLU A 58 12.135 2.616 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.302 0.546 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.918 0.156 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.871 1.044 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.777 0.097 0.523 1.00 0.00 H new ATOM 901 N ALA A 59 9.298 2.896 1.722 1.00 0.00 N ATOM 902 CA ALA A 59 7.880 3.148 1.529 1.00 0.00 C ATOM 903 C ALA A 59 7.652 4.651 1.360 1.00 0.00 C ATOM 904 O ALA A 59 6.515 5.119 1.403 1.00 0.00 O ATOM 905 CB ALA A 59 7.093 2.567 2.705 1.00 0.00 C ATOM 0 H ALA A 59 9.643 3.098 2.660 1.00 0.00 H new ATOM 0 HA ALA A 59 7.523 2.657 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.029 2.756 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.266 1.492 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.422 3.038 3.631 1.00 0.00 H new ATOM 911 N GLU A 60 8.751 5.367 1.171 1.00 0.00 N ATOM 912 CA GLU A 60 8.685 6.807 0.995 1.00 0.00 C ATOM 913 C GLU A 60 8.853 7.170 -0.482 1.00 0.00 C ATOM 914 O GLU A 60 8.195 8.083 -0.979 1.00 0.00 O ATOM 915 CB GLU A 60 9.735 7.513 1.856 1.00 0.00 C ATOM 916 CG GLU A 60 9.454 9.015 1.941 1.00 0.00 C ATOM 917 CD GLU A 60 10.649 9.826 1.438 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.781 9.611 1.894 1.00 0.00 O ATOM 919 OE2 GLU A 60 10.370 10.707 0.538 1.00 0.00 O ATOM 0 H GLU A 60 9.692 4.976 1.136 1.00 0.00 H new ATOM 0 HA GLU A 60 7.703 7.149 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.738 7.083 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.727 7.348 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.571 9.257 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.232 9.289 2.972 1.00 0.00 H new ATOM 927 N LYS A 61 9.737 6.437 -1.142 1.00 0.00 N ATOM 928 CA LYS A 61 9.999 6.670 -2.552 1.00 0.00 C ATOM 929 C LYS A 61 8.824 6.145 -3.379 1.00 0.00 C ATOM 930 O LYS A 61 8.792 6.314 -4.597 1.00 0.00 O ATOM 931 CB LYS A 61 11.349 6.071 -2.952 1.00 0.00 C ATOM 932 CG LYS A 61 11.326 4.545 -2.839 1.00 0.00 C ATOM 933 CD LYS A 61 12.135 3.900 -3.966 1.00 0.00 C ATOM 934 CE LYS A 61 13.512 3.456 -3.468 1.00 0.00 C ATOM 935 NZ LYS A 61 14.358 3.021 -4.602 1.00 0.00 N ATOM 0 H LYS A 61 10.281 5.681 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 61 10.078 7.738 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.591 6.360 -3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.134 6.475 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.733 4.242 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.296 4.189 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.593 3.041 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.252 4.609 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.996 4.277 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.401 2.639 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.289 2.723 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.902 2.223 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.478 3.811 -5.268 1.00 0.00 H new ATOM 948 N ILE A 62 7.886 5.518 -2.683 1.00 0.00 N ATOM 949 CA ILE A 62 6.712 4.967 -3.338 1.00 0.00 C ATOM 950 C ILE A 62 5.799 6.111 -3.785 1.00 0.00 C ATOM 951 O ILE A 62 5.479 6.229 -4.967 1.00 0.00 O ATOM 952 CB ILE A 62 6.021 3.948 -2.430 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.383 4.634 -1.220 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.989 2.838 -2.015 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.891 3.604 -0.202 1.00 0.00 C ATOM 0 H ILE A 62 7.916 5.380 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 62 6.998 4.418 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 62 5.216 3.479 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.108 5.298 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.549 5.254 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.472 2.127 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.354 2.323 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.831 3.272 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.442 4.118 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.148 2.957 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.732 3.001 0.141 1.00 0.00 H new ATOM 967 N THR A 63 5.404 6.924 -2.816 1.00 0.00 N ATOM 968 CA THR A 63 4.534 8.054 -3.095 1.00 0.00 C ATOM 969 C THR A 63 3.365 7.620 -3.982 1.00 0.00 C ATOM 970 O THR A 63 2.745 8.449 -4.648 1.00 0.00 O ATOM 971 CB THR A 63 5.385 9.165 -3.713 1.00 0.00 C ATOM 972 OG1 THR A 63 5.592 8.737 -5.056 1.00 0.00 O ATOM 973 CG2 THR A 63 6.794 9.222 -3.118 1.00 0.00 C ATOM 0 H THR A 63 5.670 6.823 -1.837 1.00 0.00 H new ATOM 0 HA THR A 63 4.083 8.441 -2.181 1.00 0.00 H new ATOM 0 HB THR A 63 4.890 10.125 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.939 7.820 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.356 10.027 -3.591 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.729 9.406 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.302 8.273 -3.293 1.00 0.00 H new ATOM 981 N THR A 64 3.098 6.323 -3.961 1.00 0.00 N ATOM 982 CA THR A 64 2.014 5.769 -4.755 1.00 0.00 C ATOM 983 C THR A 64 1.517 4.459 -4.140 1.00 0.00 C ATOM 984 O THR A 64 1.987 4.050 -3.080 1.00 0.00 O ATOM 985 CB THR A 64 2.512 5.615 -6.193 1.00 0.00 C ATOM 986 OG1 THR A 64 3.660 4.779 -6.075 1.00 0.00 O ATOM 987 CG2 THR A 64 3.060 6.923 -6.767 1.00 0.00 C ATOM 0 H THR A 64 3.613 5.639 -3.407 1.00 0.00 H new ATOM 0 HA THR A 64 1.151 6.435 -4.764 1.00 0.00 H new ATOM 0 HB THR A 64 1.698 5.256 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.458 5.334 -5.950 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.400 6.758 -7.789 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.275 7.679 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.896 7.266 -6.158 1.00 0.00 H new ATOM 995 N VAL A 65 0.573 3.838 -4.832 1.00 0.00 N ATOM 996 CA VAL A 65 0.007 2.583 -4.367 1.00 0.00 C ATOM 997 C VAL A 65 0.683 1.422 -5.099 1.00 0.00 C ATOM 998 O VAL A 65 0.928 0.371 -4.509 1.00 0.00 O ATOM 999 CB VAL A 65 -1.513 2.597 -4.542 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.120 1.243 -4.170 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.148 3.726 -3.728 1.00 0.00 C ATOM 0 H VAL A 65 0.186 4.181 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 65 0.196 2.450 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.728 2.782 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.201 1.280 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.702 0.468 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.890 1.015 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.229 3.714 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.919 3.586 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.749 4.684 -4.062 1.00 0.00 H new ATOM 1011 N GLN A 66 0.965 1.652 -6.373 1.00 0.00 N ATOM 1012 CA GLN A 66 1.608 0.638 -7.191 1.00 0.00 C ATOM 1013 C GLN A 66 2.901 0.161 -6.527 1.00 0.00 C ATOM 1014 O GLN A 66 3.099 -1.038 -6.336 1.00 0.00 O ATOM 1015 CB GLN A 66 1.878 1.163 -8.603 1.00 0.00 C ATOM 1016 CG GLN A 66 2.816 0.226 -9.366 1.00 0.00 C ATOM 1017 CD GLN A 66 2.304 -0.026 -10.786 1.00 0.00 C ATOM 1018 OE1 GLN A 66 2.676 0.643 -11.736 1.00 0.00 O ATOM 1019 NE2 GLN A 66 1.432 -1.026 -10.876 1.00 0.00 N ATOM 0 H GLN A 66 0.760 2.525 -6.859 1.00 0.00 H new ATOM 0 HA GLN A 66 0.932 -0.213 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.937 1.261 -9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.319 2.158 -8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.815 0.660 -9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.902 -0.721 -8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.164 -1.545 -10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.032 -1.274 -11.781 1.00 0.00 H new ATOM 1028 N ALA A 67 3.748 1.124 -6.194 1.00 0.00 N ATOM 1029 CA ALA A 67 5.016 0.817 -5.555 1.00 0.00 C ATOM 1030 C ALA A 67 4.816 -0.324 -4.555 1.00 0.00 C ATOM 1031 O ALA A 67 5.442 -1.376 -4.676 1.00 0.00 O ATOM 1032 CB ALA A 67 5.574 2.080 -4.895 1.00 0.00 C ATOM 0 H ALA A 67 3.581 2.117 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 67 5.747 0.484 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.525 1.850 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.726 2.849 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.869 2.442 -4.147 1.00 0.00 H new ATOM 1038 N ALA A 68 3.942 -0.077 -3.591 1.00 0.00 N ATOM 1039 CA ALA A 68 3.652 -1.070 -2.571 1.00 0.00 C ATOM 1040 C ALA A 68 3.473 -2.438 -3.234 1.00 0.00 C ATOM 1041 O ALA A 68 3.996 -3.439 -2.748 1.00 0.00 O ATOM 1042 CB ALA A 68 2.416 -0.641 -1.777 1.00 0.00 C ATOM 0 H ALA A 68 3.425 0.797 -3.495 1.00 0.00 H new ATOM 0 HA ALA A 68 4.480 -1.150 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.198 -1.386 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.605 0.322 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.563 -0.553 -2.450 1.00 0.00 H new ATOM 1048 N ILE A 69 2.733 -2.435 -4.333 1.00 0.00 N ATOM 1049 CA ILE A 69 2.479 -3.663 -5.067 1.00 0.00 C ATOM 1050 C ILE A 69 3.784 -4.154 -5.698 1.00 0.00 C ATOM 1051 O ILE A 69 4.318 -5.189 -5.302 1.00 0.00 O ATOM 1052 CB ILE A 69 1.347 -3.460 -6.075 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.040 -3.098 -5.366 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.189 -4.686 -6.976 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.704 -1.994 -6.119 1.00 0.00 C ATOM 0 H ILE A 69 2.301 -1.602 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 69 2.136 -4.447 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 69 1.609 -2.619 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.593 -3.982 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.253 -2.770 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.377 -4.515 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.116 -4.858 -7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.960 -5.559 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.629 -1.756 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.077 -1.104 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.937 -2.335 -7.128 1.00 0.00 H new ATOM 1067 N ASP A 70 4.259 -3.388 -6.669 1.00 0.00 N ATOM 1068 CA ASP A 70 5.490 -3.732 -7.359 1.00 0.00 C ATOM 1069 C ASP A 70 6.548 -4.140 -6.332 1.00 0.00 C ATOM 1070 O ASP A 70 7.463 -4.900 -6.646 1.00 0.00 O ATOM 1071 CB ASP A 70 6.032 -2.538 -8.147 1.00 0.00 C ATOM 1072 CG ASP A 70 6.530 -2.866 -9.556 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.644 -2.483 -9.945 1.00 0.00 O ATOM 1074 OD2 ASP A 70 5.712 -3.554 -10.278 1.00 0.00 O ATOM 0 H ASP A 70 3.813 -2.530 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 70 5.274 -4.550 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.248 -1.785 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.851 -2.091 -7.583 1.00 0.00 H new ATOM 1080 N TYR A 71 6.388 -3.616 -5.125 1.00 0.00 N ATOM 1081 CA TYR A 71 7.319 -3.916 -4.050 1.00 0.00 C ATOM 1082 C TYR A 71 7.043 -5.298 -3.456 1.00 0.00 C ATOM 1083 O TYR A 71 7.972 -6.058 -3.186 1.00 0.00 O ATOM 1084 CB TYR A 71 7.077 -2.854 -2.975 1.00 0.00 C ATOM 1085 CG TYR A 71 7.496 -3.287 -1.569 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.834 -3.416 -1.257 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.536 -3.547 -0.611 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.229 -3.823 0.067 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.931 -3.953 0.712 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.258 -4.071 0.986 1.00 0.00 C ATOM 1091 OH TYR A 71 8.631 -4.456 2.236 1.00 0.00 O ATOM 0 H TYR A 71 5.628 -2.986 -4.868 1.00 0.00 H new ATOM 0 HA TYR A 71 8.345 -3.913 -4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.622 -1.949 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.018 -2.597 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.585 -3.212 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.489 -3.446 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.273 -3.929 0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.190 -4.159 1.470 1.00 0.00 H new ATOM 0 HH TYR A 71 9.503 -4.064 2.453 1.00 0.00 H new ATOM 1101 N ILE A 72 5.762 -5.583 -3.271 1.00 0.00 N ATOM 1102 CA ILE A 72 5.353 -6.861 -2.714 1.00 0.00 C ATOM 1103 C ILE A 72 5.570 -7.960 -3.756 1.00 0.00 C ATOM 1104 O ILE A 72 5.758 -9.124 -3.406 1.00 0.00 O ATOM 1105 CB ILE A 72 3.916 -6.782 -2.193 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.842 -5.951 -0.911 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.324 -8.181 -2.004 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.705 -6.566 0.193 1.00 0.00 C ATOM 0 H ILE A 72 4.994 -4.951 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 72 5.968 -7.115 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 72 3.309 -6.273 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.176 -4.933 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.807 -5.886 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.303 -8.097 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.321 -8.707 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.926 -8.737 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.634 -5.955 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.353 -7.575 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.743 -6.607 -0.137 1.00 0.00 H new ATOM 1120 N ASN A 73 5.536 -7.551 -5.016 1.00 0.00 N ATOM 1121 CA ASN A 73 5.727 -8.486 -6.111 1.00 0.00 C ATOM 1122 C ASN A 73 7.219 -8.591 -6.433 1.00 0.00 C ATOM 1123 O ASN A 73 7.691 -9.639 -6.870 1.00 0.00 O ATOM 1124 CB ASN A 73 5.003 -8.011 -7.373 1.00 0.00 C ATOM 1125 CG ASN A 73 3.713 -8.802 -7.596 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.723 -9.969 -7.952 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.604 -8.104 -7.367 1.00 0.00 N ATOM 0 H ASN A 73 5.379 -6.585 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 73 5.323 -9.451 -5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.772 -6.949 -7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.658 -8.125 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.691 -8.543 -7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.666 -7.130 -7.071 1.00 0.00 H new ATOM 1134 N GLY A 74 7.920 -7.490 -6.204 1.00 0.00 N ATOM 1135 CA GLY A 74 9.348 -7.445 -6.464 1.00 0.00 C ATOM 1136 C GLY A 74 10.140 -7.987 -5.272 1.00 0.00 C ATOM 1137 O GLY A 74 11.366 -7.889 -5.240 1.00 0.00 O ATOM 0 H GLY A 74 7.525 -6.622 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.578 -8.030 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.651 -6.419 -6.670 1.00 0.00 H new ATOM 1141 N HIS A 75 9.407 -8.548 -4.322 1.00 0.00 N ATOM 1142 CA HIS A 75 10.025 -9.106 -3.131 1.00 0.00 C ATOM 1143 C HIS A 75 9.894 -10.631 -3.151 1.00 0.00 C ATOM 1144 O HIS A 75 10.865 -11.337 -3.418 1.00 0.00 O ATOM 1145 CB HIS A 75 9.435 -8.478 -1.867 1.00 0.00 C ATOM 1146 CG HIS A 75 10.290 -8.657 -0.635 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.862 -9.870 -0.290 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.665 -7.767 0.327 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.547 -9.704 0.832 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.423 -8.401 1.213 1.00 0.00 N ATOM 0 H HIS A 75 8.391 -8.628 -4.353 1.00 0.00 H new ATOM 0 HA HIS A 75 11.088 -8.867 -3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.284 -7.412 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.453 -8.914 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.392 -6.723 0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.106 -10.467 1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.844 -7.982 2.043 1.00 0.00 H new