USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 28 THR OG1 : rot 180:sc= 0.174! USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.096 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.616 K(o=-0.62,f=-1.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 8 GLN : amide:sc= -3.52! C(o=-3.5!,f=-7.3!) USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= 0 (180deg=-1.21) USER MOD Single : A 17 SER OG : rot 63:sc= 0.499 USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -0.258 (180deg=-1.17!) USER MOD Single : A 26 THR OG1 : rot 36:sc= 0.85 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -48:sc= 0.0147 USER MOD Single : A 41 GLN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 49 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.69) USER MOD Single : A 51 MET CE :methyl 156:sc= -0.057 (180deg=-1.31) USER MOD Single : A 53 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.3!) USER MOD Single : A 60 ASN : amide:sc= -7.92! C(o=-7.9!,f=-13!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -104:sc= -0.233 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -28.907 -18.172 2.996 1.00 0.00 N ATOM 2 CA MET A 0 -29.023 -19.596 2.735 1.00 0.00 C ATOM 3 C MET A 0 -27.713 -20.161 2.181 1.00 0.00 C ATOM 4 O MET A 0 -27.198 -21.156 2.688 1.00 0.00 O ATOM 5 CB MET A 0 -30.150 -19.842 1.730 1.00 0.00 C ATOM 6 CG MET A 0 -31.486 -20.050 2.445 1.00 0.00 C ATOM 7 SD MET A 0 -32.705 -20.664 1.294 1.00 0.00 S ATOM 8 CE MET A 0 -34.037 -21.036 2.423 1.00 0.00 C ATOM 0 H1 MET A 0 -29.808 -17.813 3.371 1.00 0.00 H new ATOM 0 H2 MET A 0 -28.152 -18.007 3.692 1.00 0.00 H new ATOM 0 H3 MET A 0 -28.677 -17.675 2.112 1.00 0.00 H new ATOM 0 HA MET A 0 -29.246 -20.101 3.675 1.00 0.00 H new ATOM 0 HB2 MET A 0 -30.226 -18.994 1.049 1.00 0.00 H new ATOM 0 HB3 MET A 0 -29.917 -20.718 1.124 1.00 0.00 H new ATOM 0 HG2 MET A 0 -31.362 -20.755 3.267 1.00 0.00 H new ATOM 0 HG3 MET A 0 -31.825 -19.110 2.880 1.00 0.00 H new ATOM 0 HE1 MET A 0 -34.886 -21.433 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 0 -33.702 -21.776 3.150 1.00 0.00 H new ATOM 0 HE3 MET A 0 -34.338 -20.127 2.943 1.00 0.00 H new ATOM 18 N ALA A 1 -27.211 -19.500 1.147 1.00 0.00 N ATOM 19 CA ALA A 1 -25.971 -19.923 0.519 1.00 0.00 C ATOM 20 C ALA A 1 -25.831 -19.233 -0.839 1.00 0.00 C ATOM 21 O ALA A 1 -26.110 -19.832 -1.876 1.00 0.00 O ATOM 22 CB ALA A 1 -25.953 -21.449 0.402 1.00 0.00 C ATOM 0 H ALA A 1 -27.641 -18.675 0.729 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.114 -19.632 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -25.023 -21.767 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.026 -21.891 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -26.797 -21.777 -0.204 1.00 0.00 H new ATOM 28 N ASP A 2 -25.399 -17.981 -0.789 1.00 0.00 N ATOM 29 CA ASP A 2 -25.218 -17.202 -2.002 1.00 0.00 C ATOM 30 C ASP A 2 -24.729 -15.800 -1.635 1.00 0.00 C ATOM 31 O ASP A 2 -25.248 -14.806 -2.140 1.00 0.00 O ATOM 32 CB ASP A 2 -26.536 -17.059 -2.766 1.00 0.00 C ATOM 33 CG ASP A 2 -26.416 -16.413 -4.147 1.00 0.00 C ATOM 34 OD1 ASP A 2 -25.267 -16.110 -4.534 1.00 0.00 O ATOM 35 OD2 ASP A 2 -27.476 -16.237 -4.786 1.00 0.00 O ATOM 0 H ASP A 2 -25.169 -17.487 0.073 1.00 0.00 H new ATOM 0 HA ASP A 2 -24.492 -17.719 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -26.981 -18.047 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -27.225 -16.468 -2.164 1.00 0.00 H new ATOM 40 N GLN A 3 -23.737 -15.765 -0.758 1.00 0.00 N ATOM 41 CA GLN A 3 -23.172 -14.501 -0.317 1.00 0.00 C ATOM 42 C GLN A 3 -21.794 -14.725 0.309 1.00 0.00 C ATOM 43 O GLN A 3 -21.671 -15.426 1.312 1.00 0.00 O ATOM 44 CB GLN A 3 -24.110 -13.793 0.661 1.00 0.00 C ATOM 45 CG GLN A 3 -24.329 -14.636 1.919 1.00 0.00 C ATOM 46 CD GLN A 3 -23.530 -14.078 3.099 1.00 0.00 C ATOM 47 OE1 GLN A 3 -23.319 -12.884 3.230 1.00 0.00 O ATOM 48 NE2 GLN A 3 -23.099 -15.007 3.948 1.00 0.00 N ATOM 0 H GLN A 3 -23.310 -16.592 -0.341 1.00 0.00 H new ATOM 0 HA GLN A 3 -23.053 -13.855 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -23.691 -12.825 0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -25.067 -13.600 0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -25.390 -14.653 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -24.030 -15.666 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -23.311 -15.990 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -22.556 -14.736 4.768 1.00 0.00 H new ATOM 57 N LEU A 4 -20.792 -14.116 -0.308 1.00 0.00 N ATOM 58 CA LEU A 4 -19.428 -14.240 0.176 1.00 0.00 C ATOM 59 C LEU A 4 -19.286 -13.470 1.491 1.00 0.00 C ATOM 60 O LEU A 4 -20.230 -12.820 1.939 1.00 0.00 O ATOM 61 CB LEU A 4 -18.435 -13.803 -0.902 1.00 0.00 C ATOM 62 CG LEU A 4 -18.744 -12.478 -1.602 1.00 0.00 C ATOM 63 CD1 LEU A 4 -17.485 -11.619 -1.732 1.00 0.00 C ATOM 64 CD2 LEU A 4 -19.417 -12.717 -2.955 1.00 0.00 C ATOM 0 H LEU A 4 -20.898 -13.535 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.193 -15.283 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.446 -13.730 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.382 -14.587 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.450 -11.922 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.733 -10.683 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.086 -11.405 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.737 -12.156 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -19.626 -11.759 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.755 -13.303 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -20.351 -13.260 -2.806 1.00 0.00 H new ATOM 76 N THR A 5 -18.100 -13.569 2.072 1.00 0.00 N ATOM 77 CA THR A 5 -17.823 -12.890 3.327 1.00 0.00 C ATOM 78 C THR A 5 -16.334 -12.553 3.433 1.00 0.00 C ATOM 79 O THR A 5 -15.606 -12.621 2.444 1.00 0.00 O ATOM 80 CB THR A 5 -18.328 -13.777 4.466 1.00 0.00 C ATOM 81 OG1 THR A 5 -17.192 -14.557 4.829 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.353 -14.810 3.994 1.00 0.00 C ATOM 0 H THR A 5 -17.320 -14.109 1.698 1.00 0.00 H new ATOM 0 HA THR A 5 -18.345 -11.935 3.384 1.00 0.00 H new ATOM 0 HB THR A 5 -18.772 -13.153 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.431 -15.160 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.679 -15.413 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.213 -14.298 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.899 -15.456 3.242 1.00 0.00 H new ATOM 90 N GLU A 6 -15.925 -12.198 4.642 1.00 0.00 N ATOM 91 CA GLU A 6 -14.537 -11.851 4.891 1.00 0.00 C ATOM 92 C GLU A 6 -13.608 -12.870 4.228 1.00 0.00 C ATOM 93 O GLU A 6 -12.506 -12.526 3.803 1.00 0.00 O ATOM 94 CB GLU A 6 -14.257 -11.749 6.392 1.00 0.00 C ATOM 95 CG GLU A 6 -15.042 -10.594 7.019 1.00 0.00 C ATOM 96 CD GLU A 6 -14.565 -10.319 8.446 1.00 0.00 C ATOM 97 OE1 GLU A 6 -14.890 -11.148 9.323 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.886 -9.285 8.628 1.00 0.00 O ATOM 0 H GLU A 6 -16.531 -12.143 5.460 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.344 -10.872 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.528 -12.685 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.190 -11.600 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.922 -9.696 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.105 -10.834 7.027 1.00 0.00 H new ATOM 105 N GLU A 7 -14.087 -14.104 4.162 1.00 0.00 N ATOM 106 CA GLU A 7 -13.313 -15.175 3.558 1.00 0.00 C ATOM 107 C GLU A 7 -12.590 -14.669 2.308 1.00 0.00 C ATOM 108 O GLU A 7 -11.429 -15.004 2.080 1.00 0.00 O ATOM 109 CB GLU A 7 -14.203 -16.376 3.229 1.00 0.00 C ATOM 110 CG GLU A 7 -14.655 -17.089 4.504 1.00 0.00 C ATOM 111 CD GLU A 7 -14.210 -18.553 4.501 1.00 0.00 C ATOM 112 OE1 GLU A 7 -14.418 -19.207 3.456 1.00 0.00 O ATOM 113 OE2 GLU A 7 -13.673 -18.985 5.543 1.00 0.00 O ATOM 0 H GLU A 7 -15.001 -14.386 4.517 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.564 -15.506 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.075 -16.044 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.658 -17.073 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.241 -16.581 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.740 -17.035 4.590 1.00 0.00 H new ATOM 120 N GLN A 8 -13.308 -13.870 1.531 1.00 0.00 N ATOM 121 CA GLN A 8 -12.749 -13.315 0.310 1.00 0.00 C ATOM 122 C GLN A 8 -11.604 -12.355 0.639 1.00 0.00 C ATOM 123 O GLN A 8 -10.565 -12.375 -0.019 1.00 0.00 O ATOM 124 CB GLN A 8 -13.829 -12.616 -0.518 1.00 0.00 C ATOM 125 CG GLN A 8 -14.032 -13.321 -1.861 1.00 0.00 C ATOM 126 CD GLN A 8 -15.244 -14.253 -1.813 1.00 0.00 C ATOM 127 OE1 GLN A 8 -16.168 -14.154 -2.604 1.00 0.00 O ATOM 128 NE2 GLN A 8 -15.190 -15.161 -0.843 1.00 0.00 N ATOM 0 H GLN A 8 -14.271 -13.594 1.723 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.350 -14.134 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.767 -12.605 0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.547 -11.577 -0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.170 -12.579 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.139 -13.892 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.387 -15.189 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.952 -15.829 -0.727 1.00 0.00 H new ATOM 137 N ILE A 9 -11.833 -11.538 1.657 1.00 0.00 N ATOM 138 CA ILE A 9 -10.833 -10.573 2.081 1.00 0.00 C ATOM 139 C ILE A 9 -9.533 -11.306 2.419 1.00 0.00 C ATOM 140 O ILE A 9 -8.448 -10.853 2.057 1.00 0.00 O ATOM 141 CB ILE A 9 -11.370 -9.713 3.227 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.054 -8.234 2.998 1.00 0.00 C ATOM 143 CG2 ILE A 9 -10.846 -10.209 4.577 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.212 -7.529 2.289 1.00 0.00 C ATOM 0 H ILE A 9 -12.696 -11.525 2.200 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.607 -9.879 1.271 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.455 -9.810 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.858 -7.748 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.147 -8.141 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.243 -9.581 5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.165 -11.239 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.757 -10.161 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.961 -6.479 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.389 -8.002 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.112 -7.603 2.900 1.00 0.00 H new ATOM 156 N ALA A 10 -9.686 -12.427 3.109 1.00 0.00 N ATOM 157 CA ALA A 10 -8.538 -13.227 3.499 1.00 0.00 C ATOM 158 C ALA A 10 -7.578 -13.347 2.314 1.00 0.00 C ATOM 159 O ALA A 10 -6.361 -13.311 2.490 1.00 0.00 O ATOM 160 CB ALA A 10 -9.014 -14.590 4.005 1.00 0.00 C ATOM 0 H ALA A 10 -10.587 -12.800 3.408 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.996 -12.748 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.153 -15.191 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.668 -14.450 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.561 -15.102 3.213 1.00 0.00 H new ATOM 166 N GLU A 11 -8.162 -13.489 1.133 1.00 0.00 N ATOM 167 CA GLU A 11 -7.374 -13.615 -0.081 1.00 0.00 C ATOM 168 C GLU A 11 -6.636 -12.307 -0.373 1.00 0.00 C ATOM 169 O GLU A 11 -5.499 -12.323 -0.842 1.00 0.00 O ATOM 170 CB GLU A 11 -8.252 -14.025 -1.265 1.00 0.00 C ATOM 171 CG GLU A 11 -8.857 -15.413 -1.044 1.00 0.00 C ATOM 172 CD GLU A 11 -9.648 -15.868 -2.272 1.00 0.00 C ATOM 173 OE1 GLU A 11 -9.012 -16.467 -3.166 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.870 -15.607 -2.289 1.00 0.00 O ATOM 0 H GLU A 11 -9.172 -13.520 0.991 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.634 -14.401 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.049 -13.294 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.659 -14.024 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.064 -16.130 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.511 -15.394 -0.172 1.00 0.00 H new ATOM 181 N PHE A 12 -7.313 -11.205 -0.083 1.00 0.00 N ATOM 182 CA PHE A 12 -6.736 -9.891 -0.309 1.00 0.00 C ATOM 183 C PHE A 12 -5.652 -9.583 0.727 1.00 0.00 C ATOM 184 O PHE A 12 -4.677 -8.897 0.425 1.00 0.00 O ATOM 185 CB PHE A 12 -7.869 -8.874 -0.162 1.00 0.00 C ATOM 186 CG PHE A 12 -8.827 -8.834 -1.354 1.00 0.00 C ATOM 187 CD1 PHE A 12 -8.350 -9.005 -2.616 1.00 0.00 C ATOM 188 CD2 PHE A 12 -10.156 -8.626 -1.152 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.239 -8.967 -3.723 1.00 0.00 C ATOM 190 CE2 PHE A 12 -11.045 -8.589 -2.258 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.568 -8.760 -3.521 1.00 0.00 C ATOM 0 H PHE A 12 -8.256 -11.196 0.306 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.278 -9.850 -1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.436 -9.105 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.438 -7.883 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.295 -9.170 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.535 -8.489 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.860 -9.102 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.100 -8.425 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.244 -8.731 -4.362 1.00 0.00 H new ATOM 201 N LYS A 13 -5.860 -10.105 1.927 1.00 0.00 N ATOM 202 CA LYS A 13 -4.913 -9.895 3.008 1.00 0.00 C ATOM 203 C LYS A 13 -3.489 -9.978 2.457 1.00 0.00 C ATOM 204 O LYS A 13 -2.718 -9.027 2.573 1.00 0.00 O ATOM 205 CB LYS A 13 -5.187 -10.868 4.157 1.00 0.00 C ATOM 206 CG LYS A 13 -6.366 -10.394 5.009 1.00 0.00 C ATOM 207 CD LYS A 13 -6.168 -10.774 6.478 1.00 0.00 C ATOM 208 CE LYS A 13 -7.270 -11.724 6.951 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.580 -11.035 6.963 1.00 0.00 N ATOM 0 H LYS A 13 -6.671 -10.673 2.174 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.033 -8.898 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.399 -11.859 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.297 -10.960 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.472 -9.313 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.290 -10.836 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.195 -11.247 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.169 -9.874 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.316 -12.593 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.037 -12.092 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.982 -11.071 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.453 -10.043 6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.226 -11.507 6.299 1.00 0.00 H new ATOM 223 N GLU A 14 -3.182 -11.125 1.869 1.00 0.00 N ATOM 224 CA GLU A 14 -1.864 -11.345 1.300 1.00 0.00 C ATOM 225 C GLU A 14 -1.482 -10.184 0.380 1.00 0.00 C ATOM 226 O GLU A 14 -0.336 -9.738 0.380 1.00 0.00 O ATOM 227 CB GLU A 14 -1.805 -12.679 0.552 1.00 0.00 C ATOM 228 CG GLU A 14 -1.968 -13.856 1.516 1.00 0.00 C ATOM 229 CD GLU A 14 -1.148 -15.061 1.053 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.610 -15.731 0.103 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.079 -15.287 1.659 1.00 0.00 O ATOM 0 H GLU A 14 -3.824 -11.912 1.775 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.141 -11.390 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.590 -12.712 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.854 -12.764 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.651 -13.559 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.020 -14.132 1.584 1.00 0.00 H new ATOM 238 N ALA A 15 -2.465 -9.727 -0.382 1.00 0.00 N ATOM 239 CA ALA A 15 -2.247 -8.625 -1.305 1.00 0.00 C ATOM 240 C ALA A 15 -1.730 -7.411 -0.530 1.00 0.00 C ATOM 241 O ALA A 15 -0.689 -6.851 -0.869 1.00 0.00 O ATOM 242 CB ALA A 15 -3.543 -8.327 -2.060 1.00 0.00 C ATOM 0 H ALA A 15 -3.415 -10.100 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.492 -8.888 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.379 -7.501 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.851 -9.212 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.324 -8.056 -1.349 1.00 0.00 H new ATOM 248 N PHE A 16 -2.482 -7.041 0.497 1.00 0.00 N ATOM 249 CA PHE A 16 -2.113 -5.904 1.322 1.00 0.00 C ATOM 250 C PHE A 16 -0.731 -6.106 1.948 1.00 0.00 C ATOM 251 O PHE A 16 0.003 -5.143 2.164 1.00 0.00 O ATOM 252 CB PHE A 16 -3.156 -5.804 2.438 1.00 0.00 C ATOM 253 CG PHE A 16 -3.028 -4.545 3.298 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.279 -3.323 2.757 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.663 -4.649 4.604 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.161 -2.155 3.555 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.545 -3.480 5.403 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.796 -2.258 4.861 1.00 0.00 C ATOM 0 H PHE A 16 -3.345 -7.509 0.776 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.078 -4.999 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.151 -5.829 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.071 -6.681 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.568 -3.241 1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.463 -5.620 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.361 -1.185 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.256 -3.562 6.440 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.705 -1.369 5.468 1.00 0.00 H new ATOM 268 N SER A 17 -0.420 -7.364 2.223 1.00 0.00 N ATOM 269 CA SER A 17 0.861 -7.704 2.820 1.00 0.00 C ATOM 270 C SER A 17 1.999 -7.316 1.874 1.00 0.00 C ATOM 271 O SER A 17 2.956 -6.662 2.285 1.00 0.00 O ATOM 272 CB SER A 17 0.933 -9.196 3.154 1.00 0.00 C ATOM 273 OG SER A 17 -0.149 -9.610 3.983 1.00 0.00 O ATOM 0 H SER A 17 -1.032 -8.160 2.044 1.00 0.00 H new ATOM 0 HA SER A 17 0.965 -7.145 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.924 -9.775 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.877 -9.410 3.656 1.00 0.00 H new ATOM 0 HG SER A 17 -0.995 -9.481 3.505 1.00 0.00 H new ATOM 279 N LEU A 18 1.857 -7.736 0.625 1.00 0.00 N ATOM 280 CA LEU A 18 2.861 -7.441 -0.382 1.00 0.00 C ATOM 281 C LEU A 18 3.396 -6.024 -0.163 1.00 0.00 C ATOM 282 O LEU A 18 4.607 -5.817 -0.099 1.00 0.00 O ATOM 283 CB LEU A 18 2.298 -7.675 -1.785 1.00 0.00 C ATOM 284 CG LEU A 18 2.829 -8.905 -2.525 1.00 0.00 C ATOM 285 CD1 LEU A 18 1.889 -10.099 -2.348 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.084 -8.590 -4.000 1.00 0.00 C ATOM 0 H LEU A 18 1.061 -8.278 0.288 1.00 0.00 H new ATOM 0 HA LEU A 18 3.708 -8.121 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.214 -7.761 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.507 -6.793 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 18 3.787 -9.181 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.289 -10.960 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.802 -10.339 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.905 -9.850 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.461 -9.481 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.153 -8.274 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.820 -7.790 -4.079 1.00 0.00 H new ATOM 298 N PHE A 19 2.468 -5.086 -0.054 1.00 0.00 N ATOM 299 CA PHE A 19 2.831 -3.695 0.157 1.00 0.00 C ATOM 300 C PHE A 19 3.263 -3.454 1.605 1.00 0.00 C ATOM 301 O PHE A 19 4.289 -2.824 1.854 1.00 0.00 O ATOM 302 CB PHE A 19 1.584 -2.858 -0.136 1.00 0.00 C ATOM 303 CG PHE A 19 1.269 -2.711 -1.626 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.087 -1.974 -2.424 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.172 -3.318 -2.152 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.795 -1.837 -3.807 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.120 -3.182 -3.535 1.00 0.00 C ATOM 308 CZ PHE A 19 0.697 -2.444 -4.333 1.00 0.00 C ATOM 0 H PHE A 19 1.465 -5.261 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 19 3.664 -3.426 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.728 -3.313 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.715 -1.866 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.959 -1.493 -2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.477 -3.904 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.444 -1.251 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.991 -3.665 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.474 -2.340 -5.385 1.00 0.00 H new ATOM 318 N ASP A 20 2.458 -3.970 2.523 1.00 0.00 N ATOM 319 CA ASP A 20 2.745 -3.819 3.939 1.00 0.00 C ATOM 320 C ASP A 20 3.900 -4.746 4.323 1.00 0.00 C ATOM 321 O ASP A 20 3.706 -5.950 4.489 1.00 0.00 O ATOM 322 CB ASP A 20 1.531 -4.199 4.790 1.00 0.00 C ATOM 323 CG ASP A 20 1.839 -4.499 6.258 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.264 -3.552 6.954 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.643 -5.669 6.651 1.00 0.00 O ATOM 0 H ASP A 20 1.608 -4.493 2.313 1.00 0.00 H new ATOM 0 HA ASP A 20 3.002 -2.776 4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.806 -3.386 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.056 -5.075 4.348 1.00 0.00 H new ATOM 330 N LYS A 21 5.076 -4.151 4.453 1.00 0.00 N ATOM 331 CA LYS A 21 6.262 -4.909 4.814 1.00 0.00 C ATOM 332 C LYS A 21 6.700 -4.519 6.228 1.00 0.00 C ATOM 333 O LYS A 21 7.894 -4.475 6.521 1.00 0.00 O ATOM 334 CB LYS A 21 7.356 -4.727 3.760 1.00 0.00 C ATOM 335 CG LYS A 21 7.115 -5.644 2.558 1.00 0.00 C ATOM 336 CD LYS A 21 7.953 -6.920 2.665 1.00 0.00 C ATOM 337 CE LYS A 21 7.151 -8.049 3.316 1.00 0.00 C ATOM 338 NZ LYS A 21 5.943 -8.353 2.517 1.00 0.00 N ATOM 0 H LYS A 21 5.233 -3.153 4.315 1.00 0.00 H new ATOM 0 HA LYS A 21 6.042 -5.976 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.380 -3.688 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.330 -4.945 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.058 -5.903 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.365 -5.116 1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.282 -7.228 1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.851 -6.722 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.771 -8.941 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.863 -7.762 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.727 -9.368 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.139 -7.802 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.113 -8.103 1.522 1.00 0.00 H new ATOM 352 N ASP A 22 5.711 -4.245 7.065 1.00 0.00 N ATOM 353 CA ASP A 22 5.979 -3.860 8.440 1.00 0.00 C ATOM 354 C ASP A 22 5.451 -4.945 9.381 1.00 0.00 C ATOM 355 O ASP A 22 6.197 -5.834 9.789 1.00 0.00 O ATOM 356 CB ASP A 22 5.278 -2.547 8.792 1.00 0.00 C ATOM 357 CG ASP A 22 6.131 -1.290 8.614 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.349 -1.458 8.389 1.00 0.00 O ATOM 359 OD2 ASP A 22 5.547 -0.189 8.709 1.00 0.00 O ATOM 0 H ASP A 22 4.722 -4.282 6.818 1.00 0.00 H new ATOM 0 HA ASP A 22 7.056 -3.734 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.385 -2.452 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.944 -2.597 9.828 1.00 0.00 H new ATOM 364 N GLY A 23 4.169 -4.836 9.698 1.00 0.00 N ATOM 365 CA GLY A 23 3.533 -5.796 10.583 1.00 0.00 C ATOM 366 C GLY A 23 2.608 -5.094 11.580 1.00 0.00 C ATOM 367 O GLY A 23 2.567 -5.455 12.755 1.00 0.00 O ATOM 0 H GLY A 23 3.554 -4.097 9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.962 -6.515 9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.295 -6.359 11.122 1.00 0.00 H new ATOM 371 N ASP A 24 1.887 -4.104 11.073 1.00 0.00 N ATOM 372 CA ASP A 24 0.965 -3.349 11.904 1.00 0.00 C ATOM 373 C ASP A 24 -0.434 -3.405 11.286 1.00 0.00 C ATOM 374 O ASP A 24 -1.434 -3.350 12.000 1.00 0.00 O ATOM 375 CB ASP A 24 1.383 -1.880 11.995 1.00 0.00 C ATOM 376 CG ASP A 24 1.125 -1.055 10.733 1.00 0.00 C ATOM 377 OD1 ASP A 24 -0.030 -0.602 10.576 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.088 -0.895 9.952 1.00 0.00 O ATOM 0 H ASP A 24 1.923 -3.808 10.098 1.00 0.00 H new ATOM 0 HA ASP A 24 0.972 -3.789 12.901 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.853 -1.418 12.828 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.446 -1.834 12.230 1.00 0.00 H new ATOM 383 N GLY A 25 -0.459 -3.514 9.966 1.00 0.00 N ATOM 384 CA GLY A 25 -1.719 -3.578 9.244 1.00 0.00 C ATOM 385 C GLY A 25 -1.967 -2.289 8.460 1.00 0.00 C ATOM 386 O GLY A 25 -3.111 -1.952 8.159 1.00 0.00 O ATOM 0 H GLY A 25 0.373 -3.560 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.708 -4.427 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.536 -3.744 9.946 1.00 0.00 H new ATOM 390 N THR A 26 -0.877 -1.603 8.150 1.00 0.00 N ATOM 391 CA THR A 26 -0.962 -0.358 7.406 1.00 0.00 C ATOM 392 C THR A 26 0.106 -0.316 6.312 1.00 0.00 C ATOM 393 O THR A 26 1.078 -1.068 6.359 1.00 0.00 O ATOM 394 CB THR A 26 -0.857 0.797 8.403 1.00 0.00 C ATOM 395 OG1 THR A 26 -1.381 1.917 7.695 1.00 0.00 O ATOM 396 CG2 THR A 26 0.593 1.188 8.696 1.00 0.00 C ATOM 0 H THR A 26 0.070 -1.886 8.401 1.00 0.00 H new ATOM 0 HA THR A 26 -1.917 -0.272 6.887 1.00 0.00 H new ATOM 0 HB THR A 26 -1.353 0.519 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.123 1.626 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.611 2.012 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.123 0.333 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.080 1.498 7.771 1.00 0.00 H new ATOM 404 N ILE A 27 -0.109 0.572 5.352 1.00 0.00 N ATOM 405 CA ILE A 27 0.824 0.722 4.248 1.00 0.00 C ATOM 406 C ILE A 27 1.193 2.199 4.096 1.00 0.00 C ATOM 407 O ILE A 27 0.413 2.986 3.563 1.00 0.00 O ATOM 408 CB ILE A 27 0.251 0.097 2.974 1.00 0.00 C ATOM 409 CG1 ILE A 27 -0.090 -1.379 3.193 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.201 0.295 1.791 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.692 -1.996 1.929 1.00 0.00 C ATOM 0 H ILE A 27 -0.916 1.195 5.316 1.00 0.00 H new ATOM 0 HA ILE A 27 1.748 0.181 4.453 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.679 0.611 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.810 -1.926 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.794 -1.475 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.770 -0.158 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.352 1.361 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.159 -0.176 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.925 -3.045 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.604 -1.462 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.024 -1.921 1.111 1.00 0.00 H new ATOM 423 N THR A 28 2.384 2.530 4.573 1.00 0.00 N ATOM 424 CA THR A 28 2.867 3.898 4.496 1.00 0.00 C ATOM 425 C THR A 28 3.370 4.208 3.085 1.00 0.00 C ATOM 426 O THR A 28 2.885 3.636 2.110 1.00 0.00 O ATOM 427 CB THR A 28 3.935 4.084 5.576 1.00 0.00 C ATOM 428 OG1 THR A 28 4.407 5.413 5.373 1.00 0.00 O ATOM 429 CG2 THR A 28 5.168 3.210 5.337 1.00 0.00 C ATOM 0 H THR A 28 3.029 1.874 5.014 1.00 0.00 H new ATOM 0 HA THR A 28 2.065 4.611 4.685 1.00 0.00 H new ATOM 0 HB THR A 28 3.508 3.851 6.552 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.102 5.618 6.033 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.894 3.381 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.875 2.160 5.333 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.615 3.466 4.376 1.00 0.00 H new ATOM 437 N THR A 29 4.337 5.112 3.021 1.00 0.00 N ATOM 438 CA THR A 29 4.911 5.504 1.745 1.00 0.00 C ATOM 439 C THR A 29 6.029 4.540 1.344 1.00 0.00 C ATOM 440 O THR A 29 6.013 3.988 0.245 1.00 0.00 O ATOM 441 CB THR A 29 5.376 6.957 1.863 1.00 0.00 C ATOM 442 OG1 THR A 29 5.985 7.024 3.150 1.00 0.00 O ATOM 443 CG2 THR A 29 4.207 7.941 1.953 1.00 0.00 C ATOM 0 H THR A 29 4.737 5.584 3.832 1.00 0.00 H new ATOM 0 HA THR A 29 4.173 5.447 0.945 1.00 0.00 H new ATOM 0 HB THR A 29 5.998 7.209 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.316 7.933 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.592 8.957 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.591 7.858 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.604 7.710 2.831 1.00 0.00 H new ATOM 451 N LYS A 30 6.973 4.366 2.257 1.00 0.00 N ATOM 452 CA LYS A 30 8.096 3.477 2.012 1.00 0.00 C ATOM 453 C LYS A 30 7.571 2.093 1.625 1.00 0.00 C ATOM 454 O LYS A 30 7.872 1.592 0.543 1.00 0.00 O ATOM 455 CB LYS A 30 9.040 3.461 3.217 1.00 0.00 C ATOM 456 CG LYS A 30 10.491 3.264 2.774 1.00 0.00 C ATOM 457 CD LYS A 30 11.462 3.641 3.894 1.00 0.00 C ATOM 458 CE LYS A 30 12.575 2.599 4.029 1.00 0.00 C ATOM 459 NZ LYS A 30 12.512 1.942 5.354 1.00 0.00 N ATOM 0 H LYS A 30 6.983 4.825 3.168 1.00 0.00 H new ATOM 0 HA LYS A 30 8.692 3.839 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.948 4.397 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.752 2.660 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.649 2.225 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.692 3.874 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.897 4.619 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.921 3.725 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.479 1.852 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.546 3.077 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.274 1.238 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.626 2.656 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.592 1.469 5.464 1.00 0.00 H new ATOM 473 N GLU A 31 6.795 1.515 2.530 1.00 0.00 N ATOM 474 CA GLU A 31 6.225 0.199 2.296 1.00 0.00 C ATOM 475 C GLU A 31 5.556 0.147 0.921 1.00 0.00 C ATOM 476 O GLU A 31 5.440 -0.922 0.323 1.00 0.00 O ATOM 477 CB GLU A 31 5.236 -0.174 3.402 1.00 0.00 C ATOM 478 CG GLU A 31 5.936 -0.256 4.759 1.00 0.00 C ATOM 479 CD GLU A 31 4.997 -0.819 5.828 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.939 -2.063 5.934 1.00 0.00 O ATOM 481 OE2 GLU A 31 4.357 0.007 6.514 1.00 0.00 O ATOM 0 H GLU A 31 6.548 1.934 3.427 1.00 0.00 H new ATOM 0 HA GLU A 31 7.032 -0.534 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.437 0.566 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.771 -1.132 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.821 -0.888 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.278 0.735 5.056 1.00 0.00 H new ATOM 488 N LEU A 32 5.133 1.314 0.459 1.00 0.00 N ATOM 489 CA LEU A 32 4.478 1.415 -0.834 1.00 0.00 C ATOM 490 C LEU A 32 5.540 1.484 -1.934 1.00 0.00 C ATOM 491 O LEU A 32 5.348 0.940 -3.020 1.00 0.00 O ATOM 492 CB LEU A 32 3.500 2.592 -0.849 1.00 0.00 C ATOM 493 CG LEU A 32 2.351 2.495 -1.855 1.00 0.00 C ATOM 494 CD1 LEU A 32 1.069 2.007 -1.178 1.00 0.00 C ATOM 495 CD2 LEU A 32 2.144 3.826 -2.580 1.00 0.00 C ATOM 0 H LEU A 32 5.231 2.199 0.957 1.00 0.00 H new ATOM 0 HA LEU A 32 3.875 0.527 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.075 2.699 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.062 3.503 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 32 2.619 1.755 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.268 1.947 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.239 1.021 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.785 2.705 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.322 3.730 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.908 4.603 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.055 4.094 -3.115 1.00 0.00 H new ATOM 507 N GLY A 33 6.635 2.157 -1.613 1.00 0.00 N ATOM 508 CA GLY A 33 7.727 2.303 -2.561 1.00 0.00 C ATOM 509 C GLY A 33 8.672 1.102 -2.498 1.00 0.00 C ATOM 510 O GLY A 33 9.733 1.108 -3.122 1.00 0.00 O ATOM 0 H GLY A 33 6.790 2.607 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.327 2.403 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.280 3.217 -2.346 1.00 0.00 H new ATOM 514 N THR A 34 8.254 0.099 -1.740 1.00 0.00 N ATOM 515 CA THR A 34 9.050 -1.107 -1.588 1.00 0.00 C ATOM 516 C THR A 34 8.690 -2.124 -2.673 1.00 0.00 C ATOM 517 O THR A 34 9.573 -2.682 -3.323 1.00 0.00 O ATOM 518 CB THR A 34 8.841 -1.635 -0.168 1.00 0.00 C ATOM 519 OG1 THR A 34 10.010 -1.219 0.533 1.00 0.00 O ATOM 520 CG2 THR A 34 8.889 -3.163 -0.098 1.00 0.00 C ATOM 0 H THR A 34 7.374 0.097 -1.224 1.00 0.00 H new ATOM 0 HA THR A 34 10.112 -0.899 -1.720 1.00 0.00 H new ATOM 0 HB THR A 34 7.881 -1.284 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.957 -1.519 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.735 -3.485 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.105 -3.581 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.861 -3.513 -0.446 1.00 0.00 H new ATOM 528 N VAL A 35 7.392 -2.333 -2.836 1.00 0.00 N ATOM 529 CA VAL A 35 6.905 -3.273 -3.832 1.00 0.00 C ATOM 530 C VAL A 35 7.209 -2.732 -5.230 1.00 0.00 C ATOM 531 O VAL A 35 7.297 -3.496 -6.190 1.00 0.00 O ATOM 532 CB VAL A 35 5.416 -3.548 -3.608 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.729 -3.944 -4.916 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.212 -4.619 -2.534 1.00 0.00 C ATOM 0 H VAL A 35 6.663 -1.868 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 35 7.417 -4.230 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 35 4.954 -2.626 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.672 -4.134 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.830 -3.135 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.195 -4.846 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.146 -4.796 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.695 -5.545 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.650 -4.281 -1.595 1.00 0.00 H new ATOM 544 N MET A 36 7.361 -1.417 -5.301 1.00 0.00 N ATOM 545 CA MET A 36 7.653 -0.765 -6.566 1.00 0.00 C ATOM 546 C MET A 36 9.091 -1.046 -7.008 1.00 0.00 C ATOM 547 O MET A 36 9.341 -1.316 -8.182 1.00 0.00 O ATOM 548 CB MET A 36 7.449 0.745 -6.421 1.00 0.00 C ATOM 549 CG MET A 36 6.010 1.067 -6.013 1.00 0.00 C ATOM 550 SD MET A 36 5.256 2.135 -7.228 1.00 0.00 S ATOM 551 CE MET A 36 3.776 1.202 -7.584 1.00 0.00 C ATOM 0 H MET A 36 7.287 -0.786 -4.503 1.00 0.00 H new ATOM 0 HA MET A 36 6.976 -1.161 -7.323 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.139 1.139 -5.675 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.683 1.239 -7.364 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.435 0.146 -5.920 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.000 1.550 -5.036 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.183 1.731 -8.331 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.049 0.219 -7.967 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.191 1.086 -6.672 1.00 0.00 H new ATOM 561 N ARG A 37 9.998 -0.971 -6.045 1.00 0.00 N ATOM 562 CA ARG A 37 11.403 -1.214 -6.321 1.00 0.00 C ATOM 563 C ARG A 37 11.678 -2.718 -6.391 1.00 0.00 C ATOM 564 O ARG A 37 12.803 -3.135 -6.664 1.00 0.00 O ATOM 565 CB ARG A 37 12.292 -0.590 -5.243 1.00 0.00 C ATOM 566 CG ARG A 37 11.992 -1.192 -3.869 1.00 0.00 C ATOM 567 CD ARG A 37 12.937 -0.628 -2.805 1.00 0.00 C ATOM 568 NE ARG A 37 12.264 0.454 -2.053 1.00 0.00 N ATOM 569 CZ ARG A 37 12.672 0.906 -0.859 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.753 0.371 -0.275 1.00 0.00 N ATOM 571 NH2 ARG A 37 12.000 1.892 -0.250 1.00 0.00 N ATOM 0 H ARG A 37 9.787 -0.745 -5.073 1.00 0.00 H new ATOM 0 HA ARG A 37 11.637 -0.753 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.341 -0.751 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.133 0.488 -5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.959 -0.980 -3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.094 -2.276 -3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.244 -1.420 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.842 -0.246 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 37 11.438 0.883 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.265 -0.380 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.064 0.714 0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.177 2.299 -0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.311 2.236 0.659 1.00 0.00 H new ATOM 585 N SER A 38 10.632 -3.491 -6.139 1.00 0.00 N ATOM 586 CA SER A 38 10.747 -4.939 -6.171 1.00 0.00 C ATOM 587 C SER A 38 10.226 -5.477 -7.505 1.00 0.00 C ATOM 588 O SER A 38 10.001 -6.677 -7.649 1.00 0.00 O ATOM 589 CB SER A 38 9.984 -5.577 -5.008 1.00 0.00 C ATOM 590 OG SER A 38 10.488 -6.871 -4.685 1.00 0.00 O ATOM 0 H SER A 38 9.701 -3.142 -5.912 1.00 0.00 H new ATOM 0 HA SER A 38 11.800 -5.201 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.053 -4.932 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.928 -5.653 -5.266 1.00 0.00 H new ATOM 0 HG SER A 38 10.576 -7.402 -5.504 1.00 0.00 H new ATOM 596 N LEU A 39 10.051 -4.562 -8.447 1.00 0.00 N ATOM 597 CA LEU A 39 9.561 -4.929 -9.765 1.00 0.00 C ATOM 598 C LEU A 39 10.350 -4.163 -10.829 1.00 0.00 C ATOM 599 O LEU A 39 10.808 -4.749 -11.809 1.00 0.00 O ATOM 600 CB LEU A 39 8.048 -4.720 -9.852 1.00 0.00 C ATOM 601 CG LEU A 39 7.316 -5.548 -10.910 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.207 -6.391 -10.276 1.00 0.00 C ATOM 603 CD2 LEU A 39 6.787 -4.657 -12.035 1.00 0.00 C ATOM 0 H LEU A 39 10.240 -3.567 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 39 9.724 -5.991 -9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.614 -4.946 -8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.858 -3.665 -10.049 1.00 0.00 H new ATOM 0 HG LEU A 39 8.030 -6.239 -11.357 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.703 -6.970 -11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.640 -7.069 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.487 -5.736 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.271 -5.271 -12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.093 -3.925 -11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.620 -4.140 -12.511 1.00 0.00 H new ATOM 615 N GLY A 40 10.484 -2.865 -10.600 1.00 0.00 N ATOM 616 CA GLY A 40 11.209 -2.013 -11.527 1.00 0.00 C ATOM 617 C GLY A 40 10.678 -0.578 -11.484 1.00 0.00 C ATOM 618 O GLY A 40 10.496 0.051 -12.525 1.00 0.00 O ATOM 0 H GLY A 40 10.103 -2.383 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.270 -2.019 -11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.116 -2.409 -12.538 1.00 0.00 H new ATOM 622 N GLN A 41 10.444 -0.104 -10.269 1.00 0.00 N ATOM 623 CA GLN A 41 9.937 1.244 -10.077 1.00 0.00 C ATOM 624 C GLN A 41 10.630 1.906 -8.885 1.00 0.00 C ATOM 625 O GLN A 41 11.445 1.280 -8.208 1.00 0.00 O ATOM 626 CB GLN A 41 8.418 1.237 -9.893 1.00 0.00 C ATOM 627 CG GLN A 41 7.702 1.335 -11.242 1.00 0.00 C ATOM 628 CD GLN A 41 6.252 0.860 -11.129 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.311 1.631 -11.220 1.00 0.00 O ATOM 630 NE2 GLN A 41 6.126 -0.448 -10.926 1.00 0.00 N ATOM 0 H GLN A 41 10.596 -0.629 -9.408 1.00 0.00 H new ATOM 0 HA GLN A 41 10.159 1.826 -10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.114 0.324 -9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.121 2.072 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.724 2.366 -11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.229 0.733 -11.982 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.957 -1.036 -10.860 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.199 -0.863 -10.837 1.00 0.00 H new ATOM 639 N ASN A 42 10.282 3.166 -8.663 1.00 0.00 N ATOM 640 CA ASN A 42 10.861 3.920 -7.565 1.00 0.00 C ATOM 641 C ASN A 42 10.342 5.359 -7.611 1.00 0.00 C ATOM 642 O ASN A 42 11.100 6.287 -7.889 1.00 0.00 O ATOM 643 CB ASN A 42 12.387 3.964 -7.670 1.00 0.00 C ATOM 644 CG ASN A 42 13.026 4.144 -6.292 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.406 4.602 -5.346 1.00 0.00 O ATOM 646 ND2 ASN A 42 14.298 3.760 -6.232 1.00 0.00 N ATOM 0 H ASN A 42 9.606 3.683 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 42 10.578 3.430 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.750 3.043 -8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.687 4.783 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.814 3.841 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.757 3.385 -7.062 1.00 0.00 H new ATOM 653 N PRO A 43 9.020 5.503 -7.327 1.00 0.00 N ATOM 654 CA PRO A 43 8.392 6.813 -7.334 1.00 0.00 C ATOM 655 C PRO A 43 8.782 7.614 -6.090 1.00 0.00 C ATOM 656 O PRO A 43 8.920 7.054 -5.004 1.00 0.00 O ATOM 657 CB PRO A 43 6.900 6.533 -7.416 1.00 0.00 C ATOM 658 CG PRO A 43 6.723 5.086 -6.985 1.00 0.00 C ATOM 659 CD PRO A 43 8.092 4.426 -6.993 1.00 0.00 C ATOM 0 HA PRO A 43 8.715 7.430 -8.172 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.340 7.205 -6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.529 6.687 -8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.281 5.036 -5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.045 4.566 -7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.326 3.988 -6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.139 3.621 -7.726 1.00 0.00 H new ATOM 667 N THR A 44 8.948 8.913 -6.291 1.00 0.00 N ATOM 668 CA THR A 44 9.320 9.798 -5.199 1.00 0.00 C ATOM 669 C THR A 44 8.249 9.775 -4.107 1.00 0.00 C ATOM 670 O THR A 44 7.086 9.478 -4.378 1.00 0.00 O ATOM 671 CB THR A 44 9.564 11.191 -5.782 1.00 0.00 C ATOM 672 OG1 THR A 44 8.371 11.479 -6.505 1.00 0.00 O ATOM 673 CG2 THR A 44 10.658 11.195 -6.851 1.00 0.00 C ATOM 0 H THR A 44 8.832 9.374 -7.193 1.00 0.00 H new ATOM 0 HA THR A 44 10.239 9.467 -4.716 1.00 0.00 H new ATOM 0 HB THR A 44 9.838 11.877 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.443 12.366 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.791 12.208 -7.232 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.594 10.845 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.370 10.535 -7.669 1.00 0.00 H new ATOM 681 N GLU A 45 8.679 10.092 -2.894 1.00 0.00 N ATOM 682 CA GLU A 45 7.772 10.112 -1.760 1.00 0.00 C ATOM 683 C GLU A 45 6.555 10.987 -2.068 1.00 0.00 C ATOM 684 O GLU A 45 5.485 10.793 -1.493 1.00 0.00 O ATOM 685 CB GLU A 45 8.486 10.593 -0.495 1.00 0.00 C ATOM 686 CG GLU A 45 8.986 9.410 0.336 1.00 0.00 C ATOM 687 CD GLU A 45 9.958 9.875 1.422 1.00 0.00 C ATOM 688 OE1 GLU A 45 11.010 10.433 1.041 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.628 9.661 2.609 1.00 0.00 O ATOM 0 H GLU A 45 9.644 10.337 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 45 7.427 9.094 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.326 11.231 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.806 11.200 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.139 8.900 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.480 8.687 -0.314 1.00 0.00 H new ATOM 696 N ALA A 46 6.759 11.930 -2.975 1.00 0.00 N ATOM 697 CA ALA A 46 5.692 12.835 -3.368 1.00 0.00 C ATOM 698 C ALA A 46 4.633 12.058 -4.153 1.00 0.00 C ATOM 699 O ALA A 46 3.437 12.214 -3.911 1.00 0.00 O ATOM 700 CB ALA A 46 6.278 13.998 -4.171 1.00 0.00 C ATOM 0 H ALA A 46 7.648 12.087 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 46 5.205 13.259 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.477 14.677 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.002 14.535 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.773 13.612 -5.062 1.00 0.00 H new ATOM 706 N GLU A 47 5.111 11.239 -5.077 1.00 0.00 N ATOM 707 CA GLU A 47 4.221 10.437 -5.900 1.00 0.00 C ATOM 708 C GLU A 47 3.353 9.537 -5.019 1.00 0.00 C ATOM 709 O GLU A 47 2.127 9.646 -5.030 1.00 0.00 O ATOM 710 CB GLU A 47 5.010 9.612 -6.918 1.00 0.00 C ATOM 711 CG GLU A 47 4.107 8.590 -7.613 1.00 0.00 C ATOM 712 CD GLU A 47 4.235 8.690 -9.134 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.992 9.801 -9.652 1.00 0.00 O ATOM 714 OE2 GLU A 47 4.572 7.652 -9.744 1.00 0.00 O ATOM 0 H GLU A 47 6.104 11.113 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 47 3.567 11.109 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.455 10.274 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.830 9.097 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.372 7.584 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.070 8.757 -7.320 1.00 0.00 H new ATOM 721 N LEU A 48 4.021 8.666 -4.277 1.00 0.00 N ATOM 722 CA LEU A 48 3.326 7.747 -3.393 1.00 0.00 C ATOM 723 C LEU A 48 2.260 8.511 -2.606 1.00 0.00 C ATOM 724 O LEU A 48 1.076 8.182 -2.676 1.00 0.00 O ATOM 725 CB LEU A 48 4.324 6.997 -2.507 1.00 0.00 C ATOM 726 CG LEU A 48 5.405 6.201 -3.241 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.674 6.089 -2.393 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.880 4.830 -3.672 1.00 0.00 C ATOM 0 H LEU A 48 5.037 8.578 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 48 2.809 6.981 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.813 7.719 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.768 6.312 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 48 5.671 6.743 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.426 5.519 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.059 7.086 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.442 5.582 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.668 4.285 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.569 4.267 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.028 4.960 -4.340 1.00 0.00 H new ATOM 740 N GLN A 49 2.717 9.517 -1.874 1.00 0.00 N ATOM 741 CA GLN A 49 1.817 10.331 -1.075 1.00 0.00 C ATOM 742 C GLN A 49 0.544 10.646 -1.864 1.00 0.00 C ATOM 743 O GLN A 49 -0.560 10.553 -1.330 1.00 0.00 O ATOM 744 CB GLN A 49 2.506 11.616 -0.611 1.00 0.00 C ATOM 745 CG GLN A 49 2.019 12.028 0.780 1.00 0.00 C ATOM 746 CD GLN A 49 2.973 11.524 1.865 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.185 11.604 1.749 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.360 11.003 2.924 1.00 0.00 N ATOM 0 H GLN A 49 3.699 9.787 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 49 1.539 9.765 -0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.586 11.468 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.306 12.417 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.940 13.114 0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.020 11.627 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.341 10.967 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.909 10.640 3.703 1.00 0.00 H new ATOM 757 N ASP A 50 0.741 11.011 -3.122 1.00 0.00 N ATOM 758 CA ASP A 50 -0.378 11.340 -3.989 1.00 0.00 C ATOM 759 C ASP A 50 -1.261 10.103 -4.166 1.00 0.00 C ATOM 760 O ASP A 50 -2.486 10.209 -4.195 1.00 0.00 O ATOM 761 CB ASP A 50 0.108 11.776 -5.373 1.00 0.00 C ATOM 762 CG ASP A 50 -0.226 13.221 -5.750 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.542 14.110 -5.325 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.242 13.403 -6.455 1.00 0.00 O ATOM 0 H ASP A 50 1.658 11.086 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.934 12.156 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.189 11.645 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.326 11.112 -6.120 1.00 0.00 H new ATOM 769 N MET A 51 -0.604 8.958 -4.281 1.00 0.00 N ATOM 770 CA MET A 51 -1.314 7.702 -4.455 1.00 0.00 C ATOM 771 C MET A 51 -2.052 7.308 -3.174 1.00 0.00 C ATOM 772 O MET A 51 -3.250 7.030 -3.204 1.00 0.00 O ATOM 773 CB MET A 51 -0.320 6.601 -4.831 1.00 0.00 C ATOM 774 CG MET A 51 0.514 7.009 -6.047 1.00 0.00 C ATOM 775 SD MET A 51 1.930 5.933 -6.203 1.00 0.00 S ATOM 776 CE MET A 51 2.127 5.935 -7.978 1.00 0.00 C ATOM 0 H MET A 51 0.412 8.874 -4.257 1.00 0.00 H new ATOM 0 HA MET A 51 -2.048 7.828 -5.251 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.338 6.396 -3.986 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.858 5.678 -5.047 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.094 6.957 -6.950 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.842 8.043 -5.943 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.159 5.691 -8.230 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.461 5.193 -8.419 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.881 6.922 -8.370 1.00 0.00 H new ATOM 786 N ILE A 52 -1.306 7.297 -2.079 1.00 0.00 N ATOM 787 CA ILE A 52 -1.874 6.941 -0.790 1.00 0.00 C ATOM 788 C ILE A 52 -3.091 7.826 -0.512 1.00 0.00 C ATOM 789 O ILE A 52 -4.011 7.418 0.195 1.00 0.00 O ATOM 790 CB ILE A 52 -0.805 7.004 0.303 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.204 5.865 0.149 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.443 7.022 1.694 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.044 5.701 1.418 1.00 0.00 C ATOM 0 H ILE A 52 -0.313 7.529 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.225 5.909 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.255 7.938 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.322 4.935 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.857 6.065 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.661 7.067 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.089 7.895 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.034 6.117 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.753 4.885 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.588 6.625 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.390 5.477 2.261 1.00 0.00 H new ATOM 805 N ASN A 53 -3.055 9.022 -1.082 1.00 0.00 N ATOM 806 CA ASN A 53 -4.144 9.968 -0.905 1.00 0.00 C ATOM 807 C ASN A 53 -5.333 9.538 -1.765 1.00 0.00 C ATOM 808 O ASN A 53 -6.395 10.157 -1.717 1.00 0.00 O ATOM 809 CB ASN A 53 -3.728 11.374 -1.342 1.00 0.00 C ATOM 810 CG ASN A 53 -3.223 12.192 -0.151 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.537 11.923 0.997 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.426 13.201 -0.487 1.00 0.00 N ATOM 0 H ASN A 53 -2.289 9.357 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.410 9.982 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.947 11.307 -2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.576 11.881 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.037 13.806 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.204 13.370 -1.468 1.00 0.00 H new ATOM 819 N GLU A 54 -5.116 8.480 -2.533 1.00 0.00 N ATOM 820 CA GLU A 54 -6.157 7.960 -3.403 1.00 0.00 C ATOM 821 C GLU A 54 -6.919 6.833 -2.704 1.00 0.00 C ATOM 822 O GLU A 54 -8.101 6.620 -2.971 1.00 0.00 O ATOM 823 CB GLU A 54 -5.571 7.483 -4.734 1.00 0.00 C ATOM 824 CG GLU A 54 -4.831 8.617 -5.446 1.00 0.00 C ATOM 825 CD GLU A 54 -4.784 8.378 -6.956 1.00 0.00 C ATOM 826 OE1 GLU A 54 -3.959 7.537 -7.372 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.575 9.043 -7.661 1.00 0.00 O ATOM 0 H GLU A 54 -4.234 7.969 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.858 8.766 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.887 6.653 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.370 7.108 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.327 9.565 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.817 8.696 -5.055 1.00 0.00 H new ATOM 834 N VAL A 55 -6.212 6.142 -1.823 1.00 0.00 N ATOM 835 CA VAL A 55 -6.807 5.042 -1.083 1.00 0.00 C ATOM 836 C VAL A 55 -6.831 5.389 0.407 1.00 0.00 C ATOM 837 O VAL A 55 -6.668 4.512 1.255 1.00 0.00 O ATOM 838 CB VAL A 55 -6.056 3.743 -1.382 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.837 2.873 -2.370 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.646 4.031 -1.901 1.00 0.00 C ATOM 0 H VAL A 55 -5.232 6.322 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.839 4.885 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.962 3.188 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.281 1.956 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.810 2.624 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.977 3.418 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.134 3.090 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.708 4.617 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.089 4.591 -1.150 1.00 0.00 H new ATOM 850 N ASP A 56 -7.035 6.669 0.681 1.00 0.00 N ATOM 851 CA ASP A 56 -7.082 7.142 2.054 1.00 0.00 C ATOM 852 C ASP A 56 -7.909 8.428 2.117 1.00 0.00 C ATOM 853 O ASP A 56 -7.369 9.525 1.986 1.00 0.00 O ATOM 854 CB ASP A 56 -5.679 7.456 2.577 1.00 0.00 C ATOM 855 CG ASP A 56 -5.634 8.073 3.976 1.00 0.00 C ATOM 856 OD1 ASP A 56 -6.620 7.871 4.717 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.614 8.732 4.273 1.00 0.00 O ATOM 0 H ASP A 56 -7.170 7.393 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.527 6.358 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.095 6.535 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.192 8.138 1.880 1.00 0.00 H new ATOM 862 N ALA A 57 -9.207 8.250 2.318 1.00 0.00 N ATOM 863 CA ALA A 57 -10.114 9.383 2.401 1.00 0.00 C ATOM 864 C ALA A 57 -10.035 9.992 3.802 1.00 0.00 C ATOM 865 O ALA A 57 -10.592 11.061 4.050 1.00 0.00 O ATOM 866 CB ALA A 57 -11.530 8.930 2.040 1.00 0.00 C ATOM 0 H ALA A 57 -9.652 7.339 2.426 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.828 10.157 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.211 9.779 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.537 8.533 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.852 8.155 2.735 1.00 0.00 H new ATOM 872 N ASP A 58 -9.339 9.287 4.681 1.00 0.00 N ATOM 873 CA ASP A 58 -9.180 9.746 6.051 1.00 0.00 C ATOM 874 C ASP A 58 -8.087 10.815 6.103 1.00 0.00 C ATOM 875 O ASP A 58 -8.182 11.769 6.873 1.00 0.00 O ATOM 876 CB ASP A 58 -8.762 8.597 6.971 1.00 0.00 C ATOM 877 CG ASP A 58 -7.324 8.673 7.488 1.00 0.00 C ATOM 878 OD1 ASP A 58 -7.006 9.695 8.133 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.576 7.707 7.226 1.00 0.00 O ATOM 0 H ASP A 58 -8.879 8.401 4.472 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.137 10.147 6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.438 8.571 7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.890 7.657 6.434 1.00 0.00 H new ATOM 884 N GLY A 59 -7.073 10.620 5.272 1.00 0.00 N ATOM 885 CA GLY A 59 -5.963 11.555 5.214 1.00 0.00 C ATOM 886 C GLY A 59 -5.056 11.407 6.437 1.00 0.00 C ATOM 887 O GLY A 59 -4.511 12.393 6.934 1.00 0.00 O ATOM 0 H GLY A 59 -6.997 9.828 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.385 11.383 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.344 12.575 5.161 1.00 0.00 H new ATOM 891 N ASN A 60 -4.922 10.169 6.889 1.00 0.00 N ATOM 892 CA ASN A 60 -4.091 9.880 8.045 1.00 0.00 C ATOM 893 C ASN A 60 -2.621 9.868 7.621 1.00 0.00 C ATOM 894 O ASN A 60 -1.731 10.046 8.451 1.00 0.00 O ATOM 895 CB ASN A 60 -4.425 8.507 8.633 1.00 0.00 C ATOM 896 CG ASN A 60 -4.116 7.392 7.633 1.00 0.00 C ATOM 897 OD1 ASN A 60 -4.083 7.594 6.430 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.894 6.207 8.194 1.00 0.00 N ATOM 0 H ASN A 60 -5.375 9.354 6.475 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.277 10.649 8.795 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.852 8.350 9.547 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.479 8.472 8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.681 5.398 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.937 6.107 9.208 1.00 0.00 H new ATOM 905 N GLY A 61 -2.413 9.656 6.330 1.00 0.00 N ATOM 906 CA GLY A 61 -1.066 9.618 5.786 1.00 0.00 C ATOM 907 C GLY A 61 -0.664 8.189 5.416 1.00 0.00 C ATOM 908 O GLY A 61 0.157 7.983 4.523 1.00 0.00 O ATOM 0 H GLY A 61 -3.154 9.509 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.008 10.256 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.364 10.020 6.516 1.00 0.00 H new ATOM 912 N THR A 62 -1.260 7.239 6.121 1.00 0.00 N ATOM 913 CA THR A 62 -0.975 5.835 5.878 1.00 0.00 C ATOM 914 C THR A 62 -2.181 5.149 5.234 1.00 0.00 C ATOM 915 O THR A 62 -3.258 5.737 5.141 1.00 0.00 O ATOM 916 CB THR A 62 -0.552 5.202 7.205 1.00 0.00 C ATOM 917 OG1 THR A 62 -0.176 6.312 8.015 1.00 0.00 O ATOM 918 CG2 THR A 62 0.733 4.381 7.078 1.00 0.00 C ATOM 0 H THR A 62 -1.940 7.414 6.861 1.00 0.00 H new ATOM 0 HA THR A 62 -0.156 5.715 5.169 1.00 0.00 H new ATOM 0 HB THR A 62 -1.355 4.565 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.111 5.992 8.896 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.989 3.954 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.582 3.578 6.356 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.544 5.025 6.740 1.00 0.00 H new ATOM 926 N ILE A 63 -1.961 3.914 4.807 1.00 0.00 N ATOM 927 CA ILE A 63 -3.017 3.142 4.175 1.00 0.00 C ATOM 928 C ILE A 63 -3.340 1.923 5.042 1.00 0.00 C ATOM 929 O ILE A 63 -2.444 1.324 5.635 1.00 0.00 O ATOM 930 CB ILE A 63 -2.636 2.789 2.736 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.428 4.053 1.899 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.668 1.850 2.110 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.652 4.341 1.028 1.00 0.00 C ATOM 0 H ILE A 63 -1.067 3.429 4.886 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.930 3.734 4.102 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.686 2.255 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.237 4.901 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.548 3.935 1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.373 1.615 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.723 0.930 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.644 2.335 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.478 5.244 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.826 3.501 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.526 4.483 1.664 1.00 0.00 H new ATOM 945 N ASP A 64 -4.622 1.592 5.088 1.00 0.00 N ATOM 946 CA ASP A 64 -5.074 0.455 5.872 1.00 0.00 C ATOM 947 C ASP A 64 -5.567 -0.645 4.931 1.00 0.00 C ATOM 948 O ASP A 64 -5.343 -0.580 3.723 1.00 0.00 O ATOM 949 CB ASP A 64 -6.233 0.846 6.791 1.00 0.00 C ATOM 950 CG ASP A 64 -5.953 2.030 7.718 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.817 2.088 8.237 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.880 2.851 7.888 1.00 0.00 O ATOM 0 H ASP A 64 -5.362 2.091 4.595 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.236 0.108 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.101 1.083 6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.501 -0.017 7.400 1.00 0.00 H new ATOM 957 N PHE A 65 -6.230 -1.630 5.519 1.00 0.00 N ATOM 958 CA PHE A 65 -6.757 -2.743 4.747 1.00 0.00 C ATOM 959 C PHE A 65 -8.061 -2.356 4.048 1.00 0.00 C ATOM 960 O PHE A 65 -8.251 -2.656 2.870 1.00 0.00 O ATOM 961 CB PHE A 65 -7.038 -3.878 5.734 1.00 0.00 C ATOM 962 CG PHE A 65 -7.300 -5.230 5.068 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.542 -5.626 4.011 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.292 -6.036 5.534 1.00 0.00 C ATOM 965 CE1 PHE A 65 -6.785 -6.882 3.394 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.535 -7.292 4.916 1.00 0.00 C ATOM 967 CZ PHE A 65 -7.777 -7.688 3.859 1.00 0.00 C ATOM 0 H PHE A 65 -6.414 -1.681 6.521 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.040 -3.038 3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.189 -3.976 6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.902 -3.611 6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.755 -4.986 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.894 -5.721 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.182 -7.197 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.322 -7.932 5.286 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.963 -8.642 3.389 1.00 0.00 H new ATOM 977 N PRO A 66 -8.950 -1.679 4.823 1.00 0.00 N ATOM 978 CA PRO A 66 -10.232 -1.248 4.291 1.00 0.00 C ATOM 979 C PRO A 66 -10.064 -0.040 3.367 1.00 0.00 C ATOM 980 O PRO A 66 -10.982 0.315 2.629 1.00 0.00 O ATOM 981 CB PRO A 66 -11.085 -0.948 5.512 1.00 0.00 C ATOM 982 CG PRO A 66 -10.112 -0.774 6.667 1.00 0.00 C ATOM 983 CD PRO A 66 -8.759 -1.307 6.222 1.00 0.00 C ATOM 0 HA PRO A 66 -10.705 -2.007 3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.678 -0.046 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.784 -1.761 5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.035 0.277 6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.464 -1.313 7.547 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.981 -0.551 6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.454 -2.165 6.822 1.00 0.00 H new ATOM 991 N GLU A 67 -8.884 0.559 3.438 1.00 0.00 N ATOM 992 CA GLU A 67 -8.584 1.720 2.618 1.00 0.00 C ATOM 993 C GLU A 67 -7.879 1.292 1.329 1.00 0.00 C ATOM 994 O GLU A 67 -7.975 1.973 0.310 1.00 0.00 O ATOM 995 CB GLU A 67 -7.740 2.735 3.392 1.00 0.00 C ATOM 996 CG GLU A 67 -8.208 2.842 4.845 1.00 0.00 C ATOM 997 CD GLU A 67 -9.145 4.037 5.033 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.320 3.905 4.627 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.666 5.054 5.578 1.00 0.00 O ATOM 0 H GLU A 67 -8.125 0.262 4.051 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.523 2.205 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.692 2.438 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.807 3.711 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.721 1.925 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.345 2.945 5.502 1.00 0.00 H new ATOM 1006 N PHE A 68 -7.189 0.165 1.417 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.469 -0.363 0.270 1.00 0.00 C ATOM 1008 C PHE A 68 -7.339 -1.342 -0.521 1.00 0.00 C ATOM 1009 O PHE A 68 -7.295 -1.364 -1.750 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.248 -1.108 0.813 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.781 -2.265 -0.072 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.447 -3.451 -0.049 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.700 -2.109 -0.883 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -5.015 -4.525 -0.870 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.267 -3.184 -1.704 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.933 -4.369 -1.680 1.00 0.00 C ATOM 0 H PHE A 68 -7.113 -0.398 2.264 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.186 0.450 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.427 -0.401 0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.482 -1.494 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.305 -3.575 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.171 -1.168 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.545 -5.466 -0.852 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.409 -3.060 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.603 -5.187 -2.304 1.00 0.00 H new ATOM 1026 N LEU A 69 -8.109 -2.127 0.217 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.989 -3.106 -0.400 1.00 0.00 C ATOM 1028 C LEU A 69 -9.596 -2.510 -1.672 1.00 0.00 C ATOM 1029 O LEU A 69 -9.702 -3.190 -2.691 1.00 0.00 O ATOM 1030 CB LEU A 69 -10.030 -3.600 0.606 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.581 -4.726 1.538 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.392 -4.721 2.836 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.641 -6.081 0.830 1.00 0.00 C ATOM 0 H LEU A 69 -8.142 -2.106 1.236 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.425 -3.990 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.346 -2.754 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.907 -3.940 0.054 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.540 -4.550 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.052 -5.532 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.254 -3.769 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.448 -4.859 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.317 -6.864 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.664 -6.279 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.985 -6.066 -0.041 1.00 0.00 H new ATOM 1045 N THR A 70 -9.979 -1.246 -1.570 1.00 0.00 N ATOM 1046 CA THR A 70 -10.573 -0.550 -2.699 1.00 0.00 C ATOM 1047 C THR A 70 -9.660 -0.644 -3.923 1.00 0.00 C ATOM 1048 O THR A 70 -10.098 -1.046 -4.999 1.00 0.00 O ATOM 1049 CB THR A 70 -10.866 0.888 -2.267 1.00 0.00 C ATOM 1050 OG1 THR A 70 -11.299 1.528 -3.464 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.599 1.651 -1.874 1.00 0.00 C ATOM 0 H THR A 70 -9.890 -0.685 -0.723 1.00 0.00 H new ATOM 0 HA THR A 70 -11.514 -1.012 -2.999 1.00 0.00 H new ATOM 0 HB THR A 70 -11.560 0.880 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.512 2.466 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.863 2.666 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.112 1.143 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.918 1.688 -2.724 1.00 0.00 H new ATOM 1059 N MET A 71 -8.407 -0.265 -3.717 1.00 0.00 N ATOM 1060 CA MET A 71 -7.428 -0.301 -4.790 1.00 0.00 C ATOM 1061 C MET A 71 -7.602 -1.555 -5.649 1.00 0.00 C ATOM 1062 O MET A 71 -7.651 -1.470 -6.875 1.00 0.00 O ATOM 1063 CB MET A 71 -6.018 -0.280 -4.196 1.00 0.00 C ATOM 1064 CG MET A 71 -5.150 0.776 -4.883 1.00 0.00 C ATOM 1065 SD MET A 71 -3.765 -0.005 -5.694 1.00 0.00 S ATOM 1066 CE MET A 71 -2.812 1.437 -6.140 1.00 0.00 C ATOM 0 H MET A 71 -8.047 0.069 -2.823 1.00 0.00 H new ATOM 0 HA MET A 71 -7.578 0.574 -5.423 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.073 -0.072 -3.127 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.558 -1.262 -4.307 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.744 1.329 -5.611 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.792 1.498 -4.149 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.905 1.127 -6.660 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.405 2.077 -6.794 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.544 1.989 -5.239 1.00 0.00 H new ATOM 1076 N MET A 72 -7.690 -2.690 -4.971 1.00 0.00 N ATOM 1077 CA MET A 72 -7.857 -3.960 -5.657 1.00 0.00 C ATOM 1078 C MET A 72 -9.179 -3.997 -6.427 1.00 0.00 C ATOM 1079 O MET A 72 -9.206 -4.359 -7.603 1.00 0.00 O ATOM 1080 CB MET A 72 -7.830 -5.099 -4.635 1.00 0.00 C ATOM 1081 CG MET A 72 -6.486 -5.149 -3.906 1.00 0.00 C ATOM 1082 SD MET A 72 -5.615 -6.647 -4.332 1.00 0.00 S ATOM 1083 CE MET A 72 -4.297 -5.968 -5.326 1.00 0.00 C ATOM 0 H MET A 72 -7.649 -2.757 -3.954 1.00 0.00 H new ATOM 0 HA MET A 72 -7.040 -4.078 -6.369 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.635 -4.963 -3.913 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.010 -6.049 -5.139 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.885 -4.280 -4.175 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.646 -5.105 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.653 -6.775 -5.677 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.720 -5.443 -6.182 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.711 -5.271 -4.727 1.00 0.00 H new ATOM 1093 N ALA A 73 -10.242 -3.618 -5.734 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.563 -3.604 -6.339 1.00 0.00 C ATOM 1095 C ALA A 73 -11.541 -2.710 -7.581 1.00 0.00 C ATOM 1096 O ALA A 73 -12.082 -3.076 -8.623 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.593 -3.141 -5.306 1.00 0.00 C ATOM 0 H ALA A 73 -10.216 -3.318 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.849 -4.606 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.584 -3.130 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.590 -3.825 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.340 -2.137 -4.964 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.910 -1.556 -7.429 1.00 0.00 N ATOM 1104 CA ARG A 74 -10.810 -0.607 -8.525 1.00 0.00 C ATOM 1105 C ARG A 74 -9.353 -0.460 -8.969 1.00 0.00 C ATOM 1106 O ARG A 74 -8.775 0.621 -8.865 1.00 0.00 O ATOM 1107 CB ARG A 74 -11.353 0.764 -8.118 1.00 0.00 C ATOM 1108 CG ARG A 74 -12.844 0.687 -7.783 1.00 0.00 C ATOM 1109 CD ARG A 74 -13.085 0.942 -6.294 1.00 0.00 C ATOM 1110 NE ARG A 74 -12.607 2.294 -5.928 1.00 0.00 N ATOM 1111 CZ ARG A 74 -13.334 3.411 -6.066 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -14.576 3.344 -6.563 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -12.818 4.594 -5.708 1.00 0.00 N ATOM 0 H ARG A 74 -10.462 -1.256 -6.563 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.408 -0.991 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.802 1.136 -7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.195 1.476 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.392 1.421 -8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.231 -0.295 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.147 0.849 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.566 0.190 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.665 2.381 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.968 2.443 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.130 4.194 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.872 4.644 -5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.371 5.444 -5.813 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.802 -1.563 -9.454 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.423 -1.570 -9.914 1.00 0.00 C ATOM 1129 C LYS A 75 -7.275 -0.596 -11.084 1.00 0.00 C ATOM 1130 O LYS A 75 -7.850 -0.808 -12.150 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.975 -2.996 -10.241 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.990 -3.516 -9.192 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.474 -4.907 -9.566 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.656 -4.859 -10.858 1.00 0.00 C ATOM 1135 NZ LYS A 75 -5.497 -5.230 -12.018 1.00 0.00 N ATOM 1136 OXT LYS A 75 -6.502 0.453 -10.845 1.00 0.00 O ATOM 0 H LYS A 75 -9.285 -2.458 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.756 -1.224 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.844 -3.653 -10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.508 -3.017 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.152 -2.825 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.478 -3.555 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.859 -5.301 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.315 -5.590 -9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.250 -3.858 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.808 -5.539 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.269 -6.200 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.501 -5.177 -11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.314 -4.574 -12.804 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.190 -0.776 7.720 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.739 5.652 5.973 1.00 0.00 CE