USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 530 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 NoAdj-H: A 14 CYS H : A 14 CYS N : A 73 AGAG :(H bumps) USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 1.06 USER MOD Set 1.2: A 56 THR OG1 : rot 80:sc= 0.992 USER MOD Set 2.1: A 3 GLN : amide:sc= 0.293 K(o=0.6,f=1.2) USER MOD Set 2.2: A 47 TYR OH : rot 30:sc= 0.31 USER MOD Set 3.1: A 37 SER OG : rot 100:sc= 0.94 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.732 X(o=1.7,f=1.4) USER MOD Set 4.1: A 8 ASN : amide:sc= 0.904 X(o=1.7,f=1.8) USER MOD Set 4.2: A 71 SER OG : rot 180:sc= 0.785 USER MOD Single : A 1 LEU N :NH3+ -117:sc= -0.154 (180deg=-1.52) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00566 USER MOD Single : A 5 THR OG1 : rot -130:sc= -0.187 USER MOD Single : A 12 MET CE :methyl 173:sc= 0 (180deg=-0.119) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00773 X(o=-0.0077,f=-0.0077) USER MOD Single : A 16 SER OG : rot 95:sc= 0.0531 USER MOD Single : A 19 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 20 SER OG : rot 74:sc= 0.891 USER MOD Single : A 26 SER OG : rot -55:sc= 0.514 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0.315 (180deg=0.294) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0.453 (180deg=0.301) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 0.0898 (180deg=-0.795) USER MOD Single : A 33 SER OG : rot -95:sc= 0.392 USER MOD Single : A 41 SER OG : rot 12:sc= 0.795 USER MOD Single : A 42 ASN : amide:sc= -0.164 K(o=-0.16,f=-2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 64 MET CE :methyl 170:sc= 0 (180deg=-0.146) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.616 -18.557 -2.492 1.00 0.00 N ATOM 2 CA LEU A 1 6.220 -17.450 -3.257 1.00 0.00 C ATOM 3 C LEU A 1 5.503 -16.133 -2.955 1.00 0.00 C ATOM 4 O LEU A 1 4.318 -16.134 -2.627 1.00 0.00 O ATOM 5 CB LEU A 1 6.197 -17.727 -4.772 1.00 0.00 C ATOM 6 CG LEU A 1 7.338 -18.605 -5.320 1.00 0.00 C ATOM 7 CD1 LEU A 1 8.693 -17.888 -5.266 1.00 0.00 C ATOM 8 CD2 LEU A 1 7.440 -19.974 -4.640 1.00 0.00 C ATOM 0 H1 LEU A 1 6.320 -18.950 -1.835 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.800 -18.202 -1.953 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.301 -19.301 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 1 7.261 -17.369 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.249 -18.204 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 1 6.218 -16.771 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 1 7.077 -18.785 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.468 -18.544 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.647 -16.978 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.928 -17.631 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.265 -20.537 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.618 -19.838 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.509 -20.523 -4.785 1.00 0.00 H new ATOM 22 N THR A 2 6.231 -15.017 -3.077 1.00 0.00 N ATOM 23 CA THR A 2 5.736 -13.672 -2.815 1.00 0.00 C ATOM 24 C THR A 2 5.367 -12.987 -4.134 1.00 0.00 C ATOM 25 O THR A 2 5.756 -13.445 -5.208 1.00 0.00 O ATOM 26 CB THR A 2 6.807 -12.883 -2.047 1.00 0.00 C ATOM 27 OG1 THR A 2 8.032 -12.917 -2.751 1.00 0.00 O ATOM 28 CG2 THR A 2 7.013 -13.471 -0.647 1.00 0.00 C ATOM 0 H THR A 2 7.208 -15.031 -3.369 1.00 0.00 H new ATOM 0 HA THR A 2 4.835 -13.715 -2.203 1.00 0.00 H new ATOM 0 HB THR A 2 6.467 -11.852 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.708 -12.410 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.776 -12.897 -0.120 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.076 -13.425 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.334 -14.509 -0.732 1.00 0.00 H new ATOM 36 N GLN A 3 4.601 -11.893 -4.043 1.00 0.00 N ATOM 37 CA GLN A 3 4.110 -11.125 -5.182 1.00 0.00 C ATOM 38 C GLN A 3 4.236 -9.631 -4.892 1.00 0.00 C ATOM 39 O GLN A 3 4.525 -9.238 -3.763 1.00 0.00 O ATOM 40 CB GLN A 3 2.642 -11.484 -5.455 1.00 0.00 C ATOM 41 CG GLN A 3 2.472 -12.964 -5.814 1.00 0.00 C ATOM 42 CD GLN A 3 1.104 -13.283 -6.417 1.00 0.00 C ATOM 43 OE1 GLN A 3 1.017 -14.046 -7.375 1.00 0.00 O ATOM 44 NE2 GLN A 3 0.029 -12.709 -5.873 1.00 0.00 N ATOM 0 H GLN A 3 4.300 -11.511 -3.147 1.00 0.00 H new ATOM 0 HA GLN A 3 4.706 -11.367 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.042 -11.253 -4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.263 -10.867 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 3 3.250 -13.251 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.617 -13.568 -4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.135 -12.080 -5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.898 -12.900 -6.253 1.00 0.00 H new ATOM 53 N GLU A 4 4.000 -8.806 -5.921 1.00 0.00 N ATOM 54 CA GLU A 4 3.920 -7.357 -5.814 1.00 0.00 C ATOM 55 C GLU A 4 2.578 -6.877 -6.366 1.00 0.00 C ATOM 56 O GLU A 4 1.978 -7.546 -7.207 1.00 0.00 O ATOM 57 CB GLU A 4 5.095 -6.686 -6.538 1.00 0.00 C ATOM 58 CG GLU A 4 6.436 -7.089 -5.914 1.00 0.00 C ATOM 59 CD GLU A 4 7.580 -6.216 -6.420 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.948 -6.389 -7.602 1.00 0.00 O ATOM 61 OE2 GLU A 4 8.066 -5.391 -5.616 1.00 0.00 O ATOM 0 H GLU A 4 3.857 -9.145 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 4 3.987 -7.074 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.083 -6.965 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.982 -5.603 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.371 -7.010 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.646 -8.133 -6.145 1.00 0.00 H new ATOM 68 N THR A 5 2.106 -5.725 -5.875 1.00 0.00 N ATOM 69 CA THR A 5 0.817 -5.151 -6.234 1.00 0.00 C ATOM 70 C THR A 5 0.907 -3.625 -6.213 1.00 0.00 C ATOM 71 O THR A 5 1.518 -3.054 -5.312 1.00 0.00 O ATOM 72 CB THR A 5 -0.276 -5.684 -5.291 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.534 -5.173 -5.666 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.039 -5.354 -3.812 1.00 0.00 C ATOM 0 H THR A 5 2.625 -5.159 -5.204 1.00 0.00 H new ATOM 0 HA THR A 5 0.546 -5.450 -7.247 1.00 0.00 H new ATOM 0 HB THR A 5 -0.243 -6.769 -5.391 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.983 -4.799 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.852 -5.764 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.906 -5.791 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.002 -4.272 -3.682 1.00 0.00 H new ATOM 82 N VAL A 6 0.290 -2.981 -7.212 1.00 0.00 N ATOM 83 CA VAL A 6 0.189 -1.534 -7.326 1.00 0.00 C ATOM 84 C VAL A 6 -1.247 -1.148 -6.979 1.00 0.00 C ATOM 85 O VAL A 6 -2.173 -1.488 -7.713 1.00 0.00 O ATOM 86 CB VAL A 6 0.576 -1.077 -8.744 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.485 0.452 -8.861 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.005 -1.515 -9.090 1.00 0.00 C ATOM 0 H VAL A 6 -0.163 -3.473 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 6 0.878 -1.039 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.122 -1.541 -9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.762 0.757 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.536 0.773 -8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.164 0.913 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.254 -1.180 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.703 -1.075 -8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.074 -2.602 -9.042 1.00 0.00 H new ATOM 98 N ILE A 7 -1.421 -0.443 -5.857 1.00 0.00 N ATOM 99 CA ILE A 7 -2.708 0.033 -5.373 1.00 0.00 C ATOM 100 C ILE A 7 -2.681 1.557 -5.459 1.00 0.00 C ATOM 101 O ILE A 7 -1.768 2.185 -4.931 1.00 0.00 O ATOM 102 CB ILE A 7 -2.945 -0.470 -3.934 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.848 -2.008 -3.896 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.314 0.002 -3.421 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.076 -2.592 -2.500 1.00 0.00 C ATOM 0 H ILE A 7 -0.645 -0.184 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.534 -0.348 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.177 -0.055 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.582 -2.429 -4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.865 -2.313 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.467 -0.361 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.349 1.091 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.099 -0.389 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.994 -3.678 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.326 -2.198 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.070 -2.316 -2.148 1.00 0.00 H new ATOM 117 N ASN A 8 -3.672 2.153 -6.127 1.00 0.00 N ATOM 118 CA ASN A 8 -3.815 3.597 -6.245 1.00 0.00 C ATOM 119 C ASN A 8 -4.234 4.159 -4.889 1.00 0.00 C ATOM 120 O ASN A 8 -5.101 3.581 -4.236 1.00 0.00 O ATOM 121 CB ASN A 8 -4.871 3.963 -7.297 1.00 0.00 C ATOM 122 CG ASN A 8 -4.731 3.160 -8.587 1.00 0.00 C ATOM 123 OD1 ASN A 8 -4.003 3.547 -9.499 1.00 0.00 O ATOM 124 ND2 ASN A 8 -5.438 2.032 -8.660 1.00 0.00 N ATOM 0 H ASN A 8 -4.407 1.633 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.861 4.022 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.864 3.799 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.794 5.026 -7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.387 1.452 -9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.029 1.749 -7.879 1.00 0.00 H new ATOM 131 N ILE A 9 -3.618 5.273 -4.478 1.00 0.00 N ATOM 132 CA ILE A 9 -3.870 5.941 -3.210 1.00 0.00 C ATOM 133 C ILE A 9 -4.105 7.415 -3.522 1.00 0.00 C ATOM 134 O ILE A 9 -3.160 8.202 -3.566 1.00 0.00 O ATOM 135 CB ILE A 9 -2.696 5.735 -2.231 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.368 4.238 -2.088 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.065 6.368 -0.878 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.318 3.942 -1.014 1.00 0.00 C ATOM 0 H ILE A 9 -2.910 5.744 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.746 5.521 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.799 6.222 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.283 3.695 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.013 3.859 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.243 6.230 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.251 7.433 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.962 5.890 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.137 2.868 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.390 4.457 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.679 4.290 -0.046 1.00 0.00 H new ATOM 150 N ASP A 10 -5.370 7.781 -3.741 1.00 0.00 N ATOM 151 CA ASP A 10 -5.763 9.136 -4.090 1.00 0.00 C ATOM 152 C ASP A 10 -6.276 9.858 -2.842 1.00 0.00 C ATOM 153 O ASP A 10 -6.750 9.230 -1.895 1.00 0.00 O ATOM 154 CB ASP A 10 -6.802 9.079 -5.218 1.00 0.00 C ATOM 155 CG ASP A 10 -7.344 10.458 -5.582 1.00 0.00 C ATOM 156 OD1 ASP A 10 -6.535 11.276 -6.071 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.555 10.672 -5.357 1.00 0.00 O ATOM 0 H ASP A 10 -6.155 7.132 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.911 9.708 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.351 8.625 -6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.628 8.436 -4.915 1.00 0.00 H new ATOM 162 N GLY A 11 -6.163 11.190 -2.846 1.00 0.00 N ATOM 163 CA GLY A 11 -6.622 12.044 -1.765 1.00 0.00 C ATOM 164 C GLY A 11 -5.667 12.024 -0.573 1.00 0.00 C ATOM 165 O GLY A 11 -6.118 11.940 0.568 1.00 0.00 O ATOM 0 H GLY A 11 -5.741 11.706 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.725 13.066 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.611 11.720 -1.442 1.00 0.00 H new ATOM 169 N MET A 12 -4.355 12.124 -0.831 1.00 0.00 N ATOM 170 CA MET A 12 -3.365 12.335 0.216 1.00 0.00 C ATOM 171 C MET A 12 -3.354 13.819 0.594 1.00 0.00 C ATOM 172 O MET A 12 -3.687 14.675 -0.225 1.00 0.00 O ATOM 173 CB MET A 12 -1.964 11.931 -0.256 1.00 0.00 C ATOM 174 CG MET A 12 -1.782 10.451 -0.594 1.00 0.00 C ATOM 175 SD MET A 12 -0.032 10.052 -0.871 1.00 0.00 S ATOM 176 CE MET A 12 -0.154 8.395 -1.575 1.00 0.00 C ATOM 0 H MET A 12 -3.959 12.060 -1.769 1.00 0.00 H new ATOM 0 HA MET A 12 -3.631 11.718 1.074 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.713 12.520 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.247 12.199 0.520 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.173 9.839 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.359 10.205 -1.485 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.830 8.069 -1.911 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.526 7.705 -0.818 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.840 8.409 -2.422 1.00 0.00 H new ATOM 186 N THR A 13 -2.958 14.119 1.834 1.00 0.00 N ATOM 187 CA THR A 13 -2.885 15.478 2.354 1.00 0.00 C ATOM 188 C THR A 13 -1.549 16.114 1.962 1.00 0.00 C ATOM 189 O THR A 13 -1.525 17.211 1.408 1.00 0.00 O ATOM 190 CB THR A 13 -3.070 15.452 3.880 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.260 14.761 4.199 1.00 0.00 O ATOM 192 CG2 THR A 13 -3.145 16.867 4.463 1.00 0.00 C ATOM 0 H THR A 13 -2.676 13.410 2.511 1.00 0.00 H new ATOM 0 HA THR A 13 -3.682 16.084 1.923 1.00 0.00 H new ATOM 0 HB THR A 13 -2.207 14.947 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.377 14.743 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.276 16.809 5.544 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.223 17.403 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.990 17.397 4.023 1.00 0.00 H new ATOM 200 N CYS A 14 -0.441 15.425 2.261 1.00 0.00 N ATOM 201 CA CYS A 14 0.919 15.907 2.051 1.00 0.00 C ATOM 202 C CYS A 14 1.881 14.714 2.127 1.00 0.00 C ATOM 203 O CYS A 14 1.449 13.576 2.316 1.00 0.00 O ATOM 204 CB CYS A 14 1.259 16.968 3.112 1.00 0.00 C ATOM 205 SG CYS A 14 1.389 16.253 4.765 1.00 0.00 S ATOM 0 HA CYS A 14 1.013 16.372 1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.200 17.453 2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.491 17.741 3.111 1.00 0.00 H new ATOM 210 N ASN A 15 3.187 14.975 1.991 1.00 0.00 N ATOM 211 CA ASN A 15 4.230 13.953 1.981 1.00 0.00 C ATOM 212 C ASN A 15 4.289 13.135 3.278 1.00 0.00 C ATOM 213 O ASN A 15 4.736 11.992 3.253 1.00 0.00 O ATOM 214 CB ASN A 15 5.583 14.610 1.681 1.00 0.00 C ATOM 215 CG ASN A 15 6.699 13.576 1.542 1.00 0.00 C ATOM 216 OD1 ASN A 15 7.603 13.520 2.373 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.641 12.754 0.493 1.00 0.00 N ATOM 0 H ASN A 15 3.551 15.922 1.883 1.00 0.00 H new ATOM 0 HA ASN A 15 3.983 13.240 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.509 15.190 0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.833 15.309 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.364 12.047 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.874 12.833 -0.175 1.00 0.00 H new ATOM 224 N SER A 16 3.835 13.689 4.409 1.00 0.00 N ATOM 225 CA SER A 16 3.761 12.957 5.669 1.00 0.00 C ATOM 226 C SER A 16 2.958 11.660 5.518 1.00 0.00 C ATOM 227 O SER A 16 3.308 10.652 6.129 1.00 0.00 O ATOM 228 CB SER A 16 3.156 13.836 6.767 1.00 0.00 C ATOM 229 OG SER A 16 3.892 15.034 6.905 1.00 0.00 O ATOM 0 H SER A 16 3.511 14.654 4.471 1.00 0.00 H new ATOM 0 HA SER A 16 4.778 12.688 5.956 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.118 14.066 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.151 13.294 7.713 1.00 0.00 H new ATOM 0 HG SER A 16 3.474 15.739 6.367 1.00 0.00 H new ATOM 235 N CYS A 17 1.896 11.679 4.700 1.00 0.00 N ATOM 236 CA CYS A 17 1.077 10.502 4.439 1.00 0.00 C ATOM 237 C CYS A 17 1.900 9.389 3.792 1.00 0.00 C ATOM 238 O CYS A 17 1.736 8.231 4.162 1.00 0.00 O ATOM 239 CB CYS A 17 -0.119 10.855 3.555 1.00 0.00 C ATOM 240 SG CYS A 17 -1.256 12.073 4.257 1.00 0.00 S ATOM 0 H CYS A 17 1.586 12.515 4.204 1.00 0.00 H new ATOM 0 HA CYS A 17 0.706 10.140 5.398 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.252 11.233 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.675 9.942 3.341 1.00 0.00 H new ATOM 245 N VAL A 18 2.783 9.730 2.842 1.00 0.00 N ATOM 246 CA VAL A 18 3.659 8.772 2.175 1.00 0.00 C ATOM 247 C VAL A 18 4.433 7.975 3.228 1.00 0.00 C ATOM 248 O VAL A 18 4.383 6.745 3.238 1.00 0.00 O ATOM 249 CB VAL A 18 4.600 9.494 1.189 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.572 8.525 0.509 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.802 10.226 0.103 1.00 0.00 C ATOM 0 H VAL A 18 2.906 10.689 2.516 1.00 0.00 H new ATOM 0 HA VAL A 18 3.062 8.073 1.589 1.00 0.00 H new ATOM 0 HB VAL A 18 5.170 10.211 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.215 9.076 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.184 8.033 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.009 7.775 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.490 10.727 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.199 9.507 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.149 10.965 0.567 1.00 0.00 H new ATOM 261 N GLN A 19 5.126 8.687 4.124 1.00 0.00 N ATOM 262 CA GLN A 19 5.896 8.091 5.204 1.00 0.00 C ATOM 263 C GLN A 19 5.006 7.252 6.127 1.00 0.00 C ATOM 264 O GLN A 19 5.378 6.136 6.481 1.00 0.00 O ATOM 265 CB GLN A 19 6.633 9.200 5.970 1.00 0.00 C ATOM 266 CG GLN A 19 7.504 8.661 7.115 1.00 0.00 C ATOM 267 CD GLN A 19 8.516 7.618 6.645 1.00 0.00 C ATOM 268 OE1 GLN A 19 8.462 6.464 7.061 1.00 0.00 O ATOM 269 NE2 GLN A 19 9.444 8.020 5.774 1.00 0.00 N ATOM 0 H GLN A 19 5.164 9.706 4.113 1.00 0.00 H new ATOM 0 HA GLN A 19 6.634 7.407 4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.260 9.759 5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.903 9.901 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.034 9.490 7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.862 8.221 7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.456 8.988 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.141 7.359 5.431 1.00 0.00 H new ATOM 278 N SER A 20 3.840 7.783 6.516 1.00 0.00 N ATOM 279 CA SER A 20 2.921 7.113 7.428 1.00 0.00 C ATOM 280 C SER A 20 2.469 5.760 6.873 1.00 0.00 C ATOM 281 O SER A 20 2.572 4.750 7.565 1.00 0.00 O ATOM 282 CB SER A 20 1.712 8.008 7.721 1.00 0.00 C ATOM 283 OG SER A 20 2.126 9.228 8.297 1.00 0.00 O ATOM 0 H SER A 20 3.511 8.696 6.201 1.00 0.00 H new ATOM 0 HA SER A 20 3.452 6.926 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.164 8.202 6.799 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.027 7.494 8.396 1.00 0.00 H new ATOM 0 HG SER A 20 2.536 9.792 7.609 1.00 0.00 H new ATOM 289 N ILE A 21 1.970 5.743 5.631 1.00 0.00 N ATOM 290 CA ILE A 21 1.475 4.545 4.963 1.00 0.00 C ATOM 291 C ILE A 21 2.579 3.486 4.925 1.00 0.00 C ATOM 292 O ILE A 21 2.345 2.349 5.331 1.00 0.00 O ATOM 293 CB ILE A 21 0.947 4.901 3.559 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.278 5.835 3.652 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.538 3.633 2.793 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.513 6.592 2.341 1.00 0.00 C ATOM 0 H ILE A 21 1.900 6.582 5.055 1.00 0.00 H new ATOM 0 HA ILE A 21 0.637 4.125 5.520 1.00 0.00 H new ATOM 0 HB ILE A 21 1.753 5.407 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.164 5.250 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.131 6.548 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.168 3.908 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.402 2.977 2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.247 3.113 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.384 7.239 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.363 7.197 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.686 5.879 1.535 1.00 0.00 H new ATOM 308 N GLU A 22 3.776 3.863 4.455 1.00 0.00 N ATOM 309 CA GLU A 22 4.932 2.977 4.400 1.00 0.00 C ATOM 310 C GLU A 22 5.219 2.374 5.777 1.00 0.00 C ATOM 311 O GLU A 22 5.254 1.154 5.916 1.00 0.00 O ATOM 312 CB GLU A 22 6.151 3.738 3.860 1.00 0.00 C ATOM 313 CG GLU A 22 5.973 4.047 2.369 1.00 0.00 C ATOM 314 CD GLU A 22 7.048 4.979 1.815 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.464 5.895 2.558 1.00 0.00 O ATOM 316 OE2 GLU A 22 7.431 4.764 0.644 1.00 0.00 O ATOM 0 H GLU A 22 3.964 4.801 4.101 1.00 0.00 H new ATOM 0 HA GLU A 22 4.713 2.153 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.284 4.666 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.053 3.145 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.986 3.113 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.994 4.499 2.213 1.00 0.00 H new ATOM 323 N GLY A 23 5.410 3.229 6.787 1.00 0.00 N ATOM 324 CA GLY A 23 5.725 2.826 8.149 1.00 0.00 C ATOM 325 C GLY A 23 4.719 1.814 8.696 1.00 0.00 C ATOM 326 O GLY A 23 5.106 0.725 9.112 1.00 0.00 O ATOM 0 H GLY A 23 5.347 4.240 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.725 2.394 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.740 3.706 8.793 1.00 0.00 H new ATOM 330 N VAL A 24 3.432 2.174 8.691 1.00 0.00 N ATOM 331 CA VAL A 24 2.357 1.349 9.227 1.00 0.00 C ATOM 332 C VAL A 24 2.289 0.004 8.497 1.00 0.00 C ATOM 333 O VAL A 24 2.371 -1.046 9.133 1.00 0.00 O ATOM 334 CB VAL A 24 1.028 2.127 9.157 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.177 1.249 9.523 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.058 3.314 10.131 1.00 0.00 C ATOM 0 H VAL A 24 3.108 3.062 8.307 1.00 0.00 H new ATOM 0 HA VAL A 24 2.556 1.122 10.274 1.00 0.00 H new ATOM 0 HB VAL A 24 0.919 2.468 8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.091 1.840 9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.239 0.410 8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.058 0.873 10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.114 3.856 10.073 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.204 2.947 11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.877 3.982 9.865 1.00 0.00 H new ATOM 346 N ILE A 25 2.125 0.034 7.170 1.00 0.00 N ATOM 347 CA ILE A 25 1.830 -1.157 6.384 1.00 0.00 C ATOM 348 C ILE A 25 3.034 -2.105 6.299 1.00 0.00 C ATOM 349 O ILE A 25 2.833 -3.318 6.263 1.00 0.00 O ATOM 350 CB ILE A 25 1.232 -0.766 5.018 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.085 0.003 5.257 1.00 0.00 C ATOM 352 CG2 ILE A 25 0.976 -2.003 4.144 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.831 0.354 3.969 1.00 0.00 C ATOM 0 H ILE A 25 2.194 0.887 6.616 1.00 0.00 H new ATOM 0 HA ILE A 25 1.064 -1.737 6.898 1.00 0.00 H new ATOM 0 HB ILE A 25 1.944 -0.134 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.736 -0.597 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.134 0.921 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.554 -1.692 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.916 -2.528 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.276 -2.668 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.746 0.893 4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.198 0.981 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.082 -0.561 3.433 1.00 0.00 H new ATOM 365 N SER A 26 4.271 -1.585 6.289 1.00 0.00 N ATOM 366 CA SER A 26 5.483 -2.404 6.229 1.00 0.00 C ATOM 367 C SER A 26 5.535 -3.488 7.313 1.00 0.00 C ATOM 368 O SER A 26 6.113 -4.548 7.083 1.00 0.00 O ATOM 369 CB SER A 26 6.742 -1.531 6.294 1.00 0.00 C ATOM 370 OG SER A 26 6.803 -0.810 7.506 1.00 0.00 O ATOM 0 H SER A 26 4.455 -0.582 6.322 1.00 0.00 H new ATOM 0 HA SER A 26 5.450 -2.917 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.628 -2.159 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.749 -0.836 5.454 1.00 0.00 H new ATOM 0 HG SER A 26 5.978 -0.293 7.621 1.00 0.00 H new ATOM 376 N LYS A 27 4.933 -3.231 8.482 1.00 0.00 N ATOM 377 CA LYS A 27 4.987 -4.127 9.630 1.00 0.00 C ATOM 378 C LYS A 27 3.851 -5.159 9.623 1.00 0.00 C ATOM 379 O LYS A 27 3.838 -6.042 10.479 1.00 0.00 O ATOM 380 CB LYS A 27 4.924 -3.296 10.919 1.00 0.00 C ATOM 381 CG LYS A 27 6.090 -2.304 11.024 1.00 0.00 C ATOM 382 CD LYS A 27 6.192 -1.683 12.425 1.00 0.00 C ATOM 383 CE LYS A 27 4.954 -0.879 12.843 1.00 0.00 C ATOM 384 NZ LYS A 27 4.726 0.283 11.969 1.00 0.00 N ATOM 0 H LYS A 27 4.391 -2.384 8.652 1.00 0.00 H new ATOM 0 HA LYS A 27 5.924 -4.681 9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.981 -2.751 10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.937 -3.963 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.023 -2.814 10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.961 -1.513 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.359 -2.478 13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.065 -1.031 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.077 -1.526 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.073 -0.540 13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.818 0.728 12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.495 0.971 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.704 -0.028 10.977 1.00 0.00 H new ATOM 398 N LYS A 28 2.898 -5.067 8.684 1.00 0.00 N ATOM 399 CA LYS A 28 1.751 -5.966 8.641 1.00 0.00 C ATOM 400 C LYS A 28 2.176 -7.344 8.114 1.00 0.00 C ATOM 401 O LYS A 28 3.086 -7.414 7.286 1.00 0.00 O ATOM 402 CB LYS A 28 0.639 -5.360 7.771 1.00 0.00 C ATOM 403 CG LYS A 28 0.136 -4.010 8.303 1.00 0.00 C ATOM 404 CD LYS A 28 -0.732 -4.156 9.560 1.00 0.00 C ATOM 405 CE LYS A 28 -1.138 -2.786 10.112 1.00 0.00 C ATOM 406 NZ LYS A 28 0.009 -2.069 10.696 1.00 0.00 N ATOM 0 H LYS A 28 2.906 -4.369 7.940 1.00 0.00 H new ATOM 0 HA LYS A 28 1.361 -6.096 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.010 -5.229 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.196 -6.059 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.990 -3.372 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.440 -3.509 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.625 -4.735 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.184 -4.711 10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.572 -2.186 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.911 -2.914 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.330 -1.229 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.511 -2.696 11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.657 -1.775 9.938 1.00 0.00 H new ATOM 420 N PRO A 29 1.539 -8.438 8.576 1.00 0.00 N ATOM 421 CA PRO A 29 1.825 -9.800 8.142 1.00 0.00 C ATOM 422 C PRO A 29 1.962 -9.934 6.625 1.00 0.00 C ATOM 423 O PRO A 29 1.084 -9.503 5.879 1.00 0.00 O ATOM 424 CB PRO A 29 0.667 -10.652 8.666 1.00 0.00 C ATOM 425 CG PRO A 29 0.277 -9.927 9.949 1.00 0.00 C ATOM 426 CD PRO A 29 0.498 -8.456 9.595 1.00 0.00 C ATOM 0 HA PRO A 29 2.789 -10.124 8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.159 -10.694 7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.974 -11.680 8.858 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.759 -10.124 10.225 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.896 -10.237 10.791 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.420 -8.003 9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.802 -7.885 10.473 1.00 0.00 H new ATOM 434 N GLY A 30 3.072 -10.530 6.176 1.00 0.00 N ATOM 435 CA GLY A 30 3.325 -10.800 4.772 1.00 0.00 C ATOM 436 C GLY A 30 4.059 -9.673 4.057 1.00 0.00 C ATOM 437 O GLY A 30 4.801 -9.955 3.119 1.00 0.00 O ATOM 0 H GLY A 30 3.824 -10.839 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.910 -11.715 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.375 -10.981 4.268 1.00 0.00 H new ATOM 441 N VAL A 31 3.853 -8.415 4.471 1.00 0.00 N ATOM 442 CA VAL A 31 4.432 -7.263 3.796 1.00 0.00 C ATOM 443 C VAL A 31 5.945 -7.232 4.014 1.00 0.00 C ATOM 444 O VAL A 31 6.416 -7.462 5.127 1.00 0.00 O ATOM 445 CB VAL A 31 3.771 -5.954 4.261 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.313 -4.774 3.441 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.251 -6.023 4.073 1.00 0.00 C ATOM 0 H VAL A 31 3.281 -8.176 5.281 1.00 0.00 H new ATOM 0 HA VAL A 31 4.241 -7.357 2.727 1.00 0.00 H new ATOM 0 HB VAL A 31 4.001 -5.814 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.840 -3.851 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.392 -4.700 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.092 -4.933 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.800 -5.089 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.021 -6.180 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.849 -6.850 4.659 1.00 0.00 H new ATOM 457 N LYS A 32 6.690 -6.945 2.940 1.00 0.00 N ATOM 458 CA LYS A 32 8.134 -6.787 2.955 1.00 0.00 C ATOM 459 C LYS A 32 8.461 -5.338 2.584 1.00 0.00 C ATOM 460 O LYS A 32 8.341 -4.460 3.437 1.00 0.00 O ATOM 461 CB LYS A 32 8.778 -7.845 2.045 1.00 0.00 C ATOM 462 CG LYS A 32 8.461 -9.255 2.564 1.00 0.00 C ATOM 463 CD LYS A 32 9.389 -10.348 2.017 1.00 0.00 C ATOM 464 CE LYS A 32 9.346 -10.500 0.492 1.00 0.00 C ATOM 465 NZ LYS A 32 10.237 -9.546 -0.188 1.00 0.00 N ATOM 0 H LYS A 32 6.285 -6.814 2.013 1.00 0.00 H new ATOM 0 HA LYS A 32 8.557 -6.962 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.408 -7.733 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.857 -7.697 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.523 -9.252 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.432 -9.503 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.412 -10.126 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.120 -11.300 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.631 -11.517 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.324 -10.352 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.644 -9.993 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.695 -8.704 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.003 -9.266 0.457 1.00 0.00 H new ATOM 479 N SER A 33 8.861 -5.068 1.333 1.00 0.00 N ATOM 480 CA SER A 33 9.134 -3.713 0.873 1.00 0.00 C ATOM 481 C SER A 33 7.827 -3.012 0.494 1.00 0.00 C ATOM 482 O SER A 33 6.859 -3.659 0.096 1.00 0.00 O ATOM 483 CB SER A 33 10.119 -3.737 -0.301 1.00 0.00 C ATOM 484 OG SER A 33 9.581 -4.449 -1.393 1.00 0.00 O ATOM 0 H SER A 33 9.002 -5.784 0.620 1.00 0.00 H new ATOM 0 HA SER A 33 9.596 -3.147 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.353 -2.717 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.055 -4.198 0.014 1.00 0.00 H new ATOM 0 HG SER A 33 9.893 -5.378 -1.364 1.00 0.00 H new ATOM 490 N ILE A 34 7.808 -1.682 0.623 1.00 0.00 N ATOM 491 CA ILE A 34 6.682 -0.848 0.235 1.00 0.00 C ATOM 492 C ILE A 34 7.204 0.526 -0.186 1.00 0.00 C ATOM 493 O ILE A 34 8.019 1.122 0.516 1.00 0.00 O ATOM 494 CB ILE A 34 5.619 -0.792 1.350 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.472 0.130 0.905 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.195 -0.347 2.702 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.222 0.002 1.778 1.00 0.00 C ATOM 0 H ILE A 34 8.591 -1.152 1.007 1.00 0.00 H new ATOM 0 HA ILE A 34 6.170 -1.282 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 34 5.242 -1.803 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.817 1.164 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.211 -0.099 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.400 -0.327 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.969 -1.047 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.626 0.649 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.451 0.679 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.854 -1.023 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.470 0.259 2.808 1.00 0.00 H new ATOM 509 N ARG A 35 6.740 1.006 -1.347 1.00 0.00 N ATOM 510 CA ARG A 35 7.182 2.239 -1.981 1.00 0.00 C ATOM 511 C ARG A 35 5.941 3.049 -2.359 1.00 0.00 C ATOM 512 O ARG A 35 5.283 2.740 -3.351 1.00 0.00 O ATOM 513 CB ARG A 35 8.034 1.914 -3.219 1.00 0.00 C ATOM 514 CG ARG A 35 9.329 1.156 -2.877 1.00 0.00 C ATOM 515 CD ARG A 35 9.429 -0.197 -3.595 1.00 0.00 C ATOM 516 NE ARG A 35 8.321 -1.094 -3.242 1.00 0.00 N ATOM 517 CZ ARG A 35 8.189 -2.358 -3.671 1.00 0.00 C ATOM 518 NH1 ARG A 35 9.129 -2.934 -4.433 1.00 0.00 N ATOM 519 NH2 ARG A 35 7.095 -3.051 -3.337 1.00 0.00 N ATOM 0 H ARG A 35 6.020 0.523 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 35 7.801 2.823 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.443 1.317 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.287 2.842 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.187 1.771 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.378 0.996 -1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.434 -0.035 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.376 -0.673 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 35 7.597 -0.728 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.963 -2.410 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.010 -3.896 -4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.372 -2.618 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.983 -4.013 -3.657 1.00 0.00 H new ATOM 533 N VAL A 36 5.625 4.076 -1.560 1.00 0.00 N ATOM 534 CA VAL A 36 4.490 4.967 -1.772 1.00 0.00 C ATOM 535 C VAL A 36 4.989 6.269 -2.403 1.00 0.00 C ATOM 536 O VAL A 36 6.127 6.675 -2.170 1.00 0.00 O ATOM 537 CB VAL A 36 3.747 5.187 -0.440 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.545 6.132 -0.571 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.224 3.856 0.114 1.00 0.00 C ATOM 0 H VAL A 36 6.168 4.311 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 36 3.771 4.525 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 36 4.479 5.637 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.064 6.246 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.884 7.106 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.831 5.716 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.703 4.033 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.536 3.408 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.061 3.179 0.285 1.00 0.00 H new ATOM 549 N SER A 37 4.135 6.912 -3.210 1.00 0.00 N ATOM 550 CA SER A 37 4.445 8.153 -3.903 1.00 0.00 C ATOM 551 C SER A 37 3.229 9.077 -3.876 1.00 0.00 C ATOM 552 O SER A 37 2.131 8.666 -4.247 1.00 0.00 O ATOM 553 CB SER A 37 4.852 7.839 -5.345 1.00 0.00 C ATOM 554 OG SER A 37 5.046 9.032 -6.080 1.00 0.00 O ATOM 0 H SER A 37 3.192 6.571 -3.398 1.00 0.00 H new ATOM 0 HA SER A 37 5.273 8.658 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.769 7.250 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.082 7.233 -5.822 1.00 0.00 H new ATOM 0 HG SER A 37 6.004 9.231 -6.133 1.00 0.00 H new ATOM 560 N LEU A 38 3.448 10.329 -3.456 1.00 0.00 N ATOM 561 CA LEU A 38 2.473 11.407 -3.536 1.00 0.00 C ATOM 562 C LEU A 38 2.285 11.811 -4.999 1.00 0.00 C ATOM 563 O LEU A 38 1.155 11.905 -5.474 1.00 0.00 O ATOM 564 CB LEU A 38 2.963 12.588 -2.682 1.00 0.00 C ATOM 565 CG LEU A 38 2.064 13.835 -2.731 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.668 13.551 -2.167 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.716 14.953 -1.910 1.00 0.00 C ATOM 0 H LEU A 38 4.333 10.621 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 38 1.507 11.081 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.048 12.259 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.964 12.866 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 38 1.954 14.132 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.063 14.456 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.193 12.763 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.753 13.231 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.085 15.841 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.833 14.625 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.694 15.189 -2.329 1.00 0.00 H new ATOM 579 N ALA A 39 3.401 12.042 -5.703 1.00 0.00 N ATOM 580 CA ALA A 39 3.430 12.465 -7.097 1.00 0.00 C ATOM 581 C ALA A 39 2.596 11.543 -7.987 1.00 0.00 C ATOM 582 O ALA A 39 1.793 12.022 -8.785 1.00 0.00 O ATOM 583 CB ALA A 39 4.882 12.524 -7.582 1.00 0.00 C ATOM 0 H ALA A 39 4.332 11.935 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 39 2.986 13.458 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.905 12.840 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.440 13.237 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.336 11.537 -7.492 1.00 0.00 H new ATOM 589 N ASN A 40 2.779 10.225 -7.840 1.00 0.00 N ATOM 590 CA ASN A 40 2.046 9.226 -8.610 1.00 0.00 C ATOM 591 C ASN A 40 0.742 8.821 -7.913 1.00 0.00 C ATOM 592 O ASN A 40 -0.089 8.165 -8.539 1.00 0.00 O ATOM 593 CB ASN A 40 2.934 8.001 -8.859 1.00 0.00 C ATOM 594 CG ASN A 40 4.176 8.345 -9.678 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.159 8.257 -10.903 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.262 8.733 -9.005 1.00 0.00 N ATOM 0 H ASN A 40 3.444 9.825 -7.179 1.00 0.00 H new ATOM 0 HA ASN A 40 1.776 9.668 -9.569 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.238 7.575 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.358 7.237 -9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.117 8.969 -9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.237 8.794 -7.987 1.00 0.00 H new ATOM 603 N SER A 41 0.554 9.206 -6.641 1.00 0.00 N ATOM 604 CA SER A 41 -0.643 8.932 -5.851 1.00 0.00 C ATOM 605 C SER A 41 -0.952 7.434 -5.844 1.00 0.00 C ATOM 606 O SER A 41 -2.040 7.012 -6.235 1.00 0.00 O ATOM 607 CB SER A 41 -1.814 9.789 -6.353 1.00 0.00 C ATOM 608 OG SER A 41 -1.539 11.158 -6.137 1.00 0.00 O ATOM 0 H SER A 41 1.257 9.733 -6.123 1.00 0.00 H new ATOM 0 HA SER A 41 -0.469 9.213 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.980 9.606 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.730 9.507 -5.834 1.00 0.00 H new ATOM 0 HG SER A 41 -0.598 11.267 -5.888 1.00 0.00 H new ATOM 614 N ASN A 42 0.025 6.630 -5.404 1.00 0.00 N ATOM 615 CA ASN A 42 -0.068 5.177 -5.406 1.00 0.00 C ATOM 616 C ASN A 42 0.889 4.559 -4.389 1.00 0.00 C ATOM 617 O ASN A 42 1.733 5.250 -3.819 1.00 0.00 O ATOM 618 CB ASN A 42 0.146 4.618 -6.825 1.00 0.00 C ATOM 619 CG ASN A 42 1.554 4.830 -7.382 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.420 5.417 -6.738 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.789 4.344 -8.602 1.00 0.00 N ATOM 0 H ASN A 42 0.909 6.981 -5.034 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.075 4.897 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.072 3.550 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.572 5.086 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.710 4.455 -9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.048 3.861 -9.110 1.00 0.00 H new ATOM 628 N GLY A 43 0.733 3.248 -4.179 1.00 0.00 N ATOM 629 CA GLY A 43 1.503 2.430 -3.262 1.00 0.00 C ATOM 630 C GLY A 43 1.849 1.107 -3.933 1.00 0.00 C ATOM 631 O GLY A 43 0.955 0.323 -4.251 1.00 0.00 O ATOM 0 H GLY A 43 0.025 2.708 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.414 2.951 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.932 2.250 -2.351 1.00 0.00 H new ATOM 635 N THR A 44 3.149 0.867 -4.136 1.00 0.00 N ATOM 636 CA THR A 44 3.682 -0.361 -4.703 1.00 0.00 C ATOM 637 C THR A 44 4.170 -1.215 -3.536 1.00 0.00 C ATOM 638 O THR A 44 5.197 -0.906 -2.934 1.00 0.00 O ATOM 639 CB THR A 44 4.806 -0.027 -5.694 1.00 0.00 C ATOM 640 OG1 THR A 44 4.308 0.843 -6.690 1.00 0.00 O ATOM 641 CG2 THR A 44 5.353 -1.291 -6.365 1.00 0.00 C ATOM 0 H THR A 44 3.874 1.545 -3.901 1.00 0.00 H new ATOM 0 HA THR A 44 2.928 -0.914 -5.263 1.00 0.00 H new ATOM 0 HB THR A 44 5.616 0.448 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.024 1.059 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.147 -1.019 -7.060 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.751 -1.963 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.551 -1.791 -6.908 1.00 0.00 H new ATOM 649 N VAL A 45 3.415 -2.271 -3.211 1.00 0.00 N ATOM 650 CA VAL A 45 3.636 -3.117 -2.047 1.00 0.00 C ATOM 651 C VAL A 45 4.147 -4.482 -2.507 1.00 0.00 C ATOM 652 O VAL A 45 3.621 -5.029 -3.473 1.00 0.00 O ATOM 653 CB VAL A 45 2.321 -3.281 -1.258 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.611 -3.905 0.113 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.579 -1.951 -1.066 1.00 0.00 C ATOM 0 H VAL A 45 2.613 -2.563 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 45 4.377 -2.654 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 45 1.676 -3.935 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.678 -4.018 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.074 -4.883 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.287 -3.258 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.661 -2.124 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.214 -1.256 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.334 -1.527 -2.040 1.00 0.00 H new ATOM 665 N GLU A 46 5.152 -5.026 -1.808 1.00 0.00 N ATOM 666 CA GLU A 46 5.623 -6.396 -1.958 1.00 0.00 C ATOM 667 C GLU A 46 5.128 -7.179 -0.747 1.00 0.00 C ATOM 668 O GLU A 46 5.292 -6.719 0.382 1.00 0.00 O ATOM 669 CB GLU A 46 7.149 -6.417 -2.068 1.00 0.00 C ATOM 670 CG GLU A 46 7.689 -7.827 -2.324 1.00 0.00 C ATOM 671 CD GLU A 46 9.120 -7.769 -2.850 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.991 -7.305 -2.083 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.318 -8.186 -4.012 1.00 0.00 O ATOM 0 H GLU A 46 5.671 -4.503 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 46 5.237 -6.853 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.463 -5.757 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.584 -6.024 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.659 -8.407 -1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.052 -8.341 -3.044 1.00 0.00 H new ATOM 680 N TYR A 47 4.502 -8.338 -0.983 1.00 0.00 N ATOM 681 CA TYR A 47 3.778 -9.065 0.047 1.00 0.00 C ATOM 682 C TYR A 47 3.774 -10.576 -0.185 1.00 0.00 C ATOM 683 O TYR A 47 4.065 -11.042 -1.285 1.00 0.00 O ATOM 684 CB TYR A 47 2.336 -8.542 0.088 1.00 0.00 C ATOM 685 CG TYR A 47 1.506 -8.949 -1.120 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.705 -8.317 -2.363 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.555 -9.981 -1.010 1.00 0.00 C ATOM 688 CE1 TYR A 47 1.012 -8.765 -3.499 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.155 -10.410 -2.145 1.00 0.00 C ATOM 690 CZ TYR A 47 0.074 -9.802 -3.389 1.00 0.00 C ATOM 691 OH TYR A 47 -0.611 -10.225 -4.490 1.00 0.00 O ATOM 0 H TYR A 47 4.488 -8.792 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 47 4.285 -8.897 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.851 -8.909 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.355 -7.454 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.391 -7.487 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.370 -10.444 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.202 -8.310 -4.460 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.877 -11.208 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.059 -10.095 -5.289 1.00 0.00 H new ATOM 701 N ASP A 48 3.408 -11.326 0.863 1.00 0.00 N ATOM 702 CA ASP A 48 3.147 -12.760 0.819 1.00 0.00 C ATOM 703 C ASP A 48 1.632 -13.008 0.707 1.00 0.00 C ATOM 704 O ASP A 48 0.913 -12.709 1.660 1.00 0.00 O ATOM 705 CB ASP A 48 3.707 -13.407 2.094 1.00 0.00 C ATOM 706 CG ASP A 48 3.517 -14.923 2.153 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.156 -15.517 1.113 1.00 0.00 O ATOM 708 OD2 ASP A 48 3.742 -15.469 3.255 1.00 0.00 O ATOM 0 H ASP A 48 3.283 -10.931 1.795 1.00 0.00 H new ATOM 0 HA ASP A 48 3.633 -13.202 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.771 -13.181 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.224 -12.956 2.961 1.00 0.00 H new ATOM 713 N PRO A 49 1.142 -13.567 -0.418 1.00 0.00 N ATOM 714 CA PRO A 49 -0.242 -13.994 -0.614 1.00 0.00 C ATOM 715 C PRO A 49 -0.847 -14.774 0.556 1.00 0.00 C ATOM 716 O PRO A 49 -2.029 -14.616 0.855 1.00 0.00 O ATOM 717 CB PRO A 49 -0.233 -14.851 -1.881 1.00 0.00 C ATOM 718 CG PRO A 49 0.888 -14.219 -2.696 1.00 0.00 C ATOM 719 CD PRO A 49 1.907 -13.846 -1.622 1.00 0.00 C ATOM 0 HA PRO A 49 -0.875 -13.111 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.033 -15.900 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.188 -14.812 -2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.303 -14.916 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.544 -13.346 -3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.613 -14.660 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.490 -12.976 -1.924 1.00 0.00 H new ATOM 727 N LEU A 50 -0.044 -15.624 1.206 1.00 0.00 N ATOM 728 CA LEU A 50 -0.500 -16.481 2.292 1.00 0.00 C ATOM 729 C LEU A 50 -0.972 -15.669 3.504 1.00 0.00 C ATOM 730 O LEU A 50 -1.896 -16.095 4.194 1.00 0.00 O ATOM 731 CB LEU A 50 0.622 -17.445 2.707 1.00 0.00 C ATOM 732 CG LEU A 50 1.164 -18.321 1.564 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.338 -19.155 2.089 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.089 -19.255 0.997 1.00 0.00 C ATOM 0 H LEU A 50 0.946 -15.733 0.987 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.354 -17.051 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.445 -16.866 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.252 -18.094 3.501 1.00 0.00 H new ATOM 0 HG LEU A 50 1.488 -17.663 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.729 -19.779 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.124 -18.491 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.997 -19.789 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.515 -19.855 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.275 -19.913 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.739 -18.663 0.608 1.00 0.00 H new ATOM 746 N LEU A 51 -0.335 -14.520 3.768 1.00 0.00 N ATOM 747 CA LEU A 51 -0.551 -13.726 4.973 1.00 0.00 C ATOM 748 C LEU A 51 -1.369 -12.459 4.701 1.00 0.00 C ATOM 749 O LEU A 51 -2.053 -11.984 5.607 1.00 0.00 O ATOM 750 CB LEU A 51 0.806 -13.391 5.604 1.00 0.00 C ATOM 751 CG LEU A 51 1.591 -14.629 6.075 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.984 -14.195 6.545 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.885 -15.364 7.221 1.00 0.00 C ATOM 0 H LEU A 51 0.355 -14.114 3.136 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.141 -14.318 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.409 -12.843 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.648 -12.727 6.454 1.00 0.00 H new ATOM 0 HG LEU A 51 1.660 -15.315 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.544 -15.068 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.514 -13.718 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.886 -13.489 7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.477 -16.229 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.774 -14.691 8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.099 -15.695 6.889 1.00 0.00 H new ATOM 765 N THR A 52 -1.317 -11.908 3.481 1.00 0.00 N ATOM 766 CA THR A 52 -2.114 -10.747 3.092 1.00 0.00 C ATOM 767 C THR A 52 -2.385 -10.780 1.584 1.00 0.00 C ATOM 768 O THR A 52 -1.899 -11.667 0.888 1.00 0.00 O ATOM 769 CB THR A 52 -1.429 -9.451 3.561 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.292 -8.346 3.396 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.124 -9.176 2.812 1.00 0.00 C ATOM 0 H THR A 52 -0.716 -12.260 2.736 1.00 0.00 H new ATOM 0 HA THR A 52 -3.086 -10.778 3.585 1.00 0.00 H new ATOM 0 HB THR A 52 -1.194 -9.590 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.841 -7.531 3.701 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.319 -8.251 3.180 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.570 -10.001 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.330 -9.080 1.746 1.00 0.00 H new ATOM 779 N SER A 53 -3.171 -9.820 1.083 1.00 0.00 N ATOM 780 CA SER A 53 -3.615 -9.757 -0.305 1.00 0.00 C ATOM 781 C SER A 53 -3.794 -8.293 -0.725 1.00 0.00 C ATOM 782 O SER A 53 -3.886 -7.430 0.147 1.00 0.00 O ATOM 783 CB SER A 53 -4.935 -10.529 -0.442 1.00 0.00 C ATOM 784 OG SER A 53 -5.990 -9.829 0.187 1.00 0.00 O ATOM 0 H SER A 53 -3.522 -9.048 1.650 1.00 0.00 H new ATOM 0 HA SER A 53 -2.869 -10.210 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.168 -10.677 -1.496 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.832 -11.518 0.004 1.00 0.00 H new ATOM 0 HG SER A 53 -6.823 -10.335 0.088 1.00 0.00 H new ATOM 790 N PRO A 54 -3.870 -7.986 -2.033 1.00 0.00 N ATOM 791 CA PRO A 54 -4.164 -6.645 -2.522 1.00 0.00 C ATOM 792 C PRO A 54 -5.443 -6.062 -1.914 1.00 0.00 C ATOM 793 O PRO A 54 -5.504 -4.866 -1.643 1.00 0.00 O ATOM 794 CB PRO A 54 -4.278 -6.766 -4.043 1.00 0.00 C ATOM 795 CG PRO A 54 -3.414 -7.985 -4.357 1.00 0.00 C ATOM 796 CD PRO A 54 -3.677 -8.890 -3.156 1.00 0.00 C ATOM 0 HA PRO A 54 -3.373 -5.954 -2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.311 -6.911 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.912 -5.872 -4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.705 -8.459 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.360 -7.724 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.558 -9.512 -3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.839 -9.564 -2.980 1.00 0.00 H new ATOM 804 N GLU A 55 -6.456 -6.909 -1.696 1.00 0.00 N ATOM 805 CA GLU A 55 -7.736 -6.526 -1.120 1.00 0.00 C ATOM 806 C GLU A 55 -7.562 -6.130 0.348 1.00 0.00 C ATOM 807 O GLU A 55 -8.112 -5.120 0.781 1.00 0.00 O ATOM 808 CB GLU A 55 -8.748 -7.675 -1.258 1.00 0.00 C ATOM 809 CG GLU A 55 -9.126 -7.988 -2.716 1.00 0.00 C ATOM 810 CD GLU A 55 -7.993 -8.612 -3.532 1.00 0.00 C ATOM 811 OE1 GLU A 55 -7.302 -9.493 -2.976 1.00 0.00 O ATOM 812 OE2 GLU A 55 -7.835 -8.193 -4.699 1.00 0.00 O ATOM 0 H GLU A 55 -6.400 -7.902 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.121 -5.663 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.333 -8.572 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.651 -7.422 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.980 -8.665 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.446 -7.067 -3.203 1.00 0.00 H new ATOM 819 N THR A 56 -6.795 -6.918 1.112 1.00 0.00 N ATOM 820 CA THR A 56 -6.489 -6.625 2.507 1.00 0.00 C ATOM 821 C THR A 56 -5.728 -5.299 2.617 1.00 0.00 C ATOM 822 O THR A 56 -6.066 -4.459 3.447 1.00 0.00 O ATOM 823 CB THR A 56 -5.676 -7.779 3.110 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.320 -9.011 2.859 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.485 -7.617 4.621 1.00 0.00 C ATOM 0 H THR A 56 -6.370 -7.781 0.772 1.00 0.00 H new ATOM 0 HA THR A 56 -7.418 -6.525 3.068 1.00 0.00 H new ATOM 0 HB THR A 56 -4.695 -7.762 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.121 -9.304 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.905 -8.455 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.956 -6.686 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.459 -7.594 5.110 1.00 0.00 H new ATOM 833 N LEU A 57 -4.705 -5.119 1.774 1.00 0.00 N ATOM 834 CA LEU A 57 -3.872 -3.925 1.738 1.00 0.00 C ATOM 835 C LEU A 57 -4.705 -2.693 1.377 1.00 0.00 C ATOM 836 O LEU A 57 -4.588 -1.661 2.034 1.00 0.00 O ATOM 837 CB LEU A 57 -2.721 -4.134 0.746 1.00 0.00 C ATOM 838 CG LEU A 57 -1.719 -5.208 1.207 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.837 -5.627 0.026 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.837 -4.698 2.351 1.00 0.00 C ATOM 0 H LEU A 57 -4.432 -5.819 1.084 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.450 -3.751 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.131 -4.419 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.194 -3.190 0.604 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.285 -6.065 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.128 -6.387 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.462 -6.032 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.292 -4.760 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.142 -5.482 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.277 -3.824 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.464 -4.424 3.200 1.00 0.00 H new ATOM 852 N ARG A 58 -5.560 -2.803 0.353 1.00 0.00 N ATOM 853 CA ARG A 58 -6.534 -1.781 -0.008 1.00 0.00 C ATOM 854 C ARG A 58 -7.389 -1.420 1.210 1.00 0.00 C ATOM 855 O ARG A 58 -7.580 -0.241 1.499 1.00 0.00 O ATOM 856 CB ARG A 58 -7.386 -2.289 -1.178 1.00 0.00 C ATOM 857 CG ARG A 58 -8.498 -1.309 -1.574 1.00 0.00 C ATOM 858 CD ARG A 58 -9.300 -1.830 -2.768 1.00 0.00 C ATOM 859 NE ARG A 58 -9.947 -3.113 -2.466 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.718 -3.804 -3.321 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.962 -3.341 -4.555 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.252 -4.969 -2.933 1.00 0.00 N ATOM 0 H ARG A 58 -5.590 -3.621 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.026 -0.872 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.742 -2.468 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.831 -3.247 -0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.165 -1.151 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.062 -0.341 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.057 -1.097 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.640 -1.948 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.800 -3.509 -1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.560 -2.453 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.550 -3.877 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.072 -5.325 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.839 -5.500 -3.576 1.00 0.00 H new ATOM 876 N GLY A 59 -7.884 -2.437 1.927 1.00 0.00 N ATOM 877 CA GLY A 59 -8.635 -2.279 3.163 1.00 0.00 C ATOM 878 C GLY A 59 -7.864 -1.474 4.211 1.00 0.00 C ATOM 879 O GLY A 59 -8.433 -0.584 4.838 1.00 0.00 O ATOM 0 H GLY A 59 -7.767 -3.412 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.581 -1.782 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.876 -3.262 3.568 1.00 0.00 H new ATOM 883 N ALA A 60 -6.575 -1.778 4.404 1.00 0.00 N ATOM 884 CA ALA A 60 -5.723 -1.088 5.365 1.00 0.00 C ATOM 885 C ALA A 60 -5.558 0.389 4.997 1.00 0.00 C ATOM 886 O ALA A 60 -5.729 1.258 5.847 1.00 0.00 O ATOM 887 CB ALA A 60 -4.366 -1.792 5.464 1.00 0.00 C ATOM 0 H ALA A 60 -6.095 -2.517 3.890 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.202 -1.125 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.737 -1.269 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.513 -2.821 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.881 -1.787 4.488 1.00 0.00 H new ATOM 893 N ILE A 61 -5.236 0.674 3.730 1.00 0.00 N ATOM 894 CA ILE A 61 -5.071 2.031 3.220 1.00 0.00 C ATOM 895 C ILE A 61 -6.378 2.818 3.400 1.00 0.00 C ATOM 896 O ILE A 61 -6.360 3.964 3.849 1.00 0.00 O ATOM 897 CB ILE A 61 -4.619 1.975 1.748 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.231 1.318 1.616 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.563 3.387 1.150 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.971 0.778 0.206 1.00 0.00 C ATOM 0 H ILE A 61 -5.081 -0.045 3.024 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.298 2.554 3.783 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.348 1.374 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.462 2.047 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.148 0.503 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.242 3.329 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.552 3.843 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.855 3.994 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.980 0.326 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.722 0.028 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.025 1.596 -0.513 1.00 0.00 H new ATOM 912 N GLU A 62 -7.512 2.195 3.056 1.00 0.00 N ATOM 913 CA GLU A 62 -8.838 2.764 3.241 1.00 0.00 C ATOM 914 C GLU A 62 -9.064 3.111 4.715 1.00 0.00 C ATOM 915 O GLU A 62 -9.510 4.214 5.020 1.00 0.00 O ATOM 916 CB GLU A 62 -9.889 1.790 2.684 1.00 0.00 C ATOM 917 CG GLU A 62 -11.319 2.352 2.687 1.00 0.00 C ATOM 918 CD GLU A 62 -11.946 2.406 4.079 1.00 0.00 C ATOM 919 OE1 GLU A 62 -11.891 1.368 4.774 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.474 3.486 4.423 1.00 0.00 O ATOM 0 H GLU A 62 -7.526 1.266 2.635 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.932 3.698 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.617 1.521 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.868 0.872 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.308 3.356 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.944 1.738 2.038 1.00 0.00 H new ATOM 927 N ASP A 63 -8.749 2.176 5.620 1.00 0.00 N ATOM 928 CA ASP A 63 -8.900 2.355 7.058 1.00 0.00 C ATOM 929 C ASP A 63 -8.072 3.539 7.567 1.00 0.00 C ATOM 930 O ASP A 63 -8.563 4.308 8.392 1.00 0.00 O ATOM 931 CB ASP A 63 -8.542 1.055 7.788 1.00 0.00 C ATOM 932 CG ASP A 63 -8.740 1.186 9.295 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.910 1.094 9.726 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.718 1.378 9.990 1.00 0.00 O ATOM 0 H ASP A 63 -8.377 1.262 5.363 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.943 2.590 7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.160 0.241 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.505 0.792 7.578 1.00 0.00 H new ATOM 939 N MET A 64 -6.833 3.699 7.078 1.00 0.00 N ATOM 940 CA MET A 64 -6.004 4.856 7.402 1.00 0.00 C ATOM 941 C MET A 64 -6.694 6.156 6.971 1.00 0.00 C ATOM 942 O MET A 64 -6.669 7.129 7.722 1.00 0.00 O ATOM 943 CB MET A 64 -4.607 4.733 6.781 1.00 0.00 C ATOM 944 CG MET A 64 -3.777 3.642 7.468 1.00 0.00 C ATOM 945 SD MET A 64 -2.063 3.503 6.891 1.00 0.00 S ATOM 946 CE MET A 64 -1.372 5.018 7.607 1.00 0.00 C ATOM 0 H MET A 64 -6.385 3.031 6.451 1.00 0.00 H new ATOM 0 HA MET A 64 -5.876 4.886 8.484 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.699 4.506 5.719 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.088 5.689 6.859 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.769 3.835 8.541 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.273 2.683 7.320 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.287 5.007 7.503 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.778 5.885 7.086 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.635 5.074 8.663 1.00 0.00 H new ATOM 956 N GLY A 65 -7.318 6.163 5.785 1.00 0.00 N ATOM 957 CA GLY A 65 -8.193 7.240 5.338 1.00 0.00 C ATOM 958 C GLY A 65 -7.728 7.831 4.013 1.00 0.00 C ATOM 959 O GLY A 65 -7.440 9.025 3.941 1.00 0.00 O ATOM 0 H GLY A 65 -7.224 5.408 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.210 6.862 5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.222 8.023 6.095 1.00 0.00 H new ATOM 963 N PHE A 66 -7.668 6.997 2.967 1.00 0.00 N ATOM 964 CA PHE A 66 -7.339 7.414 1.609 1.00 0.00 C ATOM 965 C PHE A 66 -8.227 6.658 0.621 1.00 0.00 C ATOM 966 O PHE A 66 -8.711 5.571 0.935 1.00 0.00 O ATOM 967 CB PHE A 66 -5.856 7.149 1.326 1.00 0.00 C ATOM 968 CG PHE A 66 -4.914 7.742 2.355 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.655 9.123 2.345 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.319 6.925 3.337 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.857 9.697 3.348 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.499 7.497 4.324 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.277 8.885 4.337 1.00 0.00 C ATOM 0 H PHE A 66 -7.851 5.997 3.048 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.519 8.483 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.693 6.072 1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.606 7.553 0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.070 9.744 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.493 5.859 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.689 10.764 3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.039 6.870 5.073 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.661 9.327 5.106 1.00 0.00 H new ATOM 983 N ASP A 67 -8.436 7.223 -0.574 1.00 0.00 N ATOM 984 CA ASP A 67 -9.204 6.573 -1.626 1.00 0.00 C ATOM 985 C ASP A 67 -8.344 5.468 -2.241 1.00 0.00 C ATOM 986 O ASP A 67 -7.511 5.730 -3.108 1.00 0.00 O ATOM 987 CB ASP A 67 -9.666 7.604 -2.661 1.00 0.00 C ATOM 988 CG ASP A 67 -10.426 6.942 -3.809 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.570 6.507 -3.555 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.850 6.876 -4.917 1.00 0.00 O ATOM 0 H ASP A 67 -8.076 8.142 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.107 6.118 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.305 8.344 -2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.801 8.138 -3.055 1.00 0.00 H new ATOM 995 N ALA A 68 -8.553 4.236 -1.760 1.00 0.00 N ATOM 996 CA ALA A 68 -7.769 3.064 -2.108 1.00 0.00 C ATOM 997 C ALA A 68 -8.506 2.236 -3.161 1.00 0.00 C ATOM 998 O ALA A 68 -9.650 1.843 -2.937 1.00 0.00 O ATOM 999 CB ALA A 68 -7.529 2.239 -0.841 1.00 0.00 C ATOM 0 H ALA A 68 -9.300 4.030 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.810 3.367 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.941 1.355 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.989 2.842 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.486 1.932 -0.420 1.00 0.00 H new ATOM 1005 N THR A 69 -7.857 1.965 -4.300 1.00 0.00 N ATOM 1006 CA THR A 69 -8.403 1.099 -5.343 1.00 0.00 C ATOM 1007 C THR A 69 -7.264 0.405 -6.095 1.00 0.00 C ATOM 1008 O THR A 69 -6.137 0.891 -6.090 1.00 0.00 O ATOM 1009 CB THR A 69 -9.366 1.880 -6.253 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.958 0.999 -7.184 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.692 3.034 -7.002 1.00 0.00 C ATOM 0 H THR A 69 -6.936 2.343 -4.521 1.00 0.00 H new ATOM 0 HA THR A 69 -9.003 0.309 -4.892 1.00 0.00 H new ATOM 0 HB THR A 69 -10.121 2.322 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.572 1.498 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.428 3.542 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.275 3.740 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.893 2.642 -7.631 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.549 -0.741 -6.723 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.540 -1.631 -7.288 1.00 0.00 C ATOM 1021 C LEU A 70 -6.098 -1.223 -8.698 1.00 0.00 C ATOM 1022 O LEU A 70 -6.856 -0.609 -9.447 1.00 0.00 O ATOM 1023 CB LEU A 70 -7.091 -3.066 -7.335 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.581 -3.618 -5.986 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -8.084 -5.052 -6.178 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.489 -3.614 -4.910 1.00 0.00 C ATOM 0 H LEU A 70 -8.503 -1.077 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.665 -1.565 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.917 -3.099 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.313 -3.726 -7.719 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.382 -2.963 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.432 -5.446 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.906 -5.056 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.272 -5.675 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.893 -4.014 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.653 -4.232 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.144 -2.593 -4.746 1.00 0.00 H new ATOM 1038 N SER A 71 -4.861 -1.603 -9.041 1.00 0.00 N ATOM 1039 CA SER A 71 -4.284 -1.565 -10.381 1.00 0.00 C ATOM 1040 C SER A 71 -3.410 -2.814 -10.496 1.00 0.00 C ATOM 1041 O SER A 71 -2.197 -2.732 -10.681 1.00 0.00 O ATOM 1042 CB SER A 71 -3.491 -0.272 -10.624 1.00 0.00 C ATOM 1043 OG SER A 71 -4.371 0.787 -10.924 1.00 0.00 O ATOM 0 H SER A 71 -4.204 -1.964 -8.350 1.00 0.00 H new ATOM 0 HA SER A 71 -5.059 -1.564 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.902 -0.026 -9.741 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.789 -0.416 -11.445 1.00 0.00 H new ATOM 0 HG SER A 71 -3.856 1.607 -11.076 1.00 0.00 H new ATOM 1049 N ASP A 72 -4.053 -3.978 -10.353 1.00 0.00 N ATOM 1050 CA ASP A 72 -3.415 -5.277 -10.223 1.00 0.00 C ATOM 1051 C ASP A 72 -4.469 -6.371 -10.397 1.00 0.00 C ATOM 1052 O ASP A 72 -4.061 -7.501 -10.742 1.00 0.00 O ATOM 1053 CB ASP A 72 -2.732 -5.389 -8.851 1.00 0.00 C ATOM 1054 CG ASP A 72 -3.695 -5.100 -7.700 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -4.357 -6.060 -7.250 1.00 0.00 O ATOM 1056 OD2 ASP A 72 -3.748 -3.921 -7.285 1.00 0.00 O ATOM 1057 OXT ASP A 72 -5.663 -6.061 -10.180 1.00 0.00 O ATOM 0 H ASP A 72 -5.071 -4.035 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.652 -5.395 -10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.319 -6.391 -8.734 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.895 -4.692 -8.806 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 -0.009 14.190 4.680 1.00 0.00 AG