USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 497 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 25 CYS SG : rot -99:sc= 0.616 USER MOD Set 1.2: A 27 CYS SG : rot -169:sc= 0.573 USER MOD Set 1.3: A 47 CYS SG : rot -55:sc= -0.67 USER MOD Set 1.4: A 50 CYS SG : rot -151:sc= 0.0103 USER MOD Set 2.1: A 20 MET CE :methyl 151:sc= 0 (180deg=-0.519) USER MOD Set 2.2: A 32 GLN : amide:sc= -0.794 K(o=-0.79,f=-6.2!) USER MOD Single : A 3 THR OG1 : rot -19:sc= 0.299 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -157:sc= -0.558 (180deg=-1.53) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0147 F(o=-0.96,f=-0.015) USER MOD Single : A 19 GLN : amide:sc= 0.928 K(o=0.93,f=-0.23) USER MOD Single : A 22 THR OG1 : rot -57:sc= 1.07 USER MOD Single : A 23 TYR OH : rot 28:sc= 1.25 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 166:sc= -0.0084 (180deg=-0.373) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= 0.0609 (180deg=-0.292) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -153:sc= -0.369 (180deg=-1.35!) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.561) USER MOD Single : A 66 TYR OH : rot 88:sc= 0.192 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -8.846 10.934 -15.154 1.00 0.00 N ATOM 30 CA THR A 3 -7.454 10.816 -15.541 1.00 0.00 C ATOM 31 C THR A 3 -6.534 11.526 -14.553 1.00 0.00 C ATOM 32 O THR A 3 -6.400 12.751 -14.571 1.00 0.00 O ATOM 33 CB THR A 3 -7.228 11.366 -16.957 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.969 12.581 -17.143 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.651 10.341 -17.988 1.00 0.00 C ATOM 0 HA THR A 3 -7.208 9.754 -15.532 1.00 0.00 H new ATOM 0 HB THR A 3 -6.166 11.578 -17.083 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.673 12.642 -16.464 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.486 10.742 -18.988 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.063 9.432 -17.860 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.708 10.110 -17.859 1.00 0.00 H new ATOM 43 N TYR A 4 -5.918 10.749 -13.675 1.00 0.00 N ATOM 44 CA TYR A 4 -4.993 11.301 -12.692 1.00 0.00 C ATOM 45 C TYR A 4 -3.547 11.046 -13.084 1.00 0.00 C ATOM 46 O TYR A 4 -2.634 11.690 -12.569 1.00 0.00 O ATOM 47 CB TYR A 4 -5.284 10.755 -11.296 1.00 0.00 C ATOM 48 CG TYR A 4 -6.454 11.444 -10.640 1.00 0.00 C ATOM 49 CD1 TYR A 4 -6.275 12.636 -9.949 1.00 0.00 C ATOM 50 CD2 TYR A 4 -7.734 10.918 -10.723 1.00 0.00 C ATOM 51 CE1 TYR A 4 -7.341 13.286 -9.362 1.00 0.00 C ATOM 52 CE2 TYR A 4 -8.805 11.560 -10.136 1.00 0.00 C ATOM 53 CZ TYR A 4 -8.603 12.744 -9.456 1.00 0.00 C ATOM 54 OH TYR A 4 -9.668 13.397 -8.879 1.00 0.00 O ATOM 0 H TYR A 4 -6.040 9.738 -13.621 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.144 12.380 -12.671 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.486 9.686 -11.362 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.399 10.874 -10.671 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.285 13.061 -9.870 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.895 9.992 -11.255 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.186 14.214 -8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.797 11.138 -10.208 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.489 12.885 -9.035 1.00 0.00 H new ATOM 64 N ASP A 5 -3.337 10.114 -14.001 1.00 0.00 N ATOM 65 CA ASP A 5 -2.010 9.911 -14.562 1.00 0.00 C ATOM 66 C ASP A 5 -1.967 10.554 -15.931 1.00 0.00 C ATOM 67 O ASP A 5 -2.926 10.455 -16.690 1.00 0.00 O ATOM 68 CB ASP A 5 -1.644 8.431 -14.674 1.00 0.00 C ATOM 69 CG ASP A 5 -0.190 8.178 -14.317 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.704 8.684 -15.028 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.069 7.490 -13.304 1.00 0.00 O ATOM 0 H ASP A 5 -4.058 9.493 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.281 10.368 -13.892 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.286 7.847 -14.015 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.833 8.086 -15.691 1.00 0.00 H new ATOM 76 N GLU A 6 -0.875 11.221 -16.233 1.00 0.00 N ATOM 77 CA GLU A 6 -0.755 11.955 -17.479 1.00 0.00 C ATOM 78 C GLU A 6 0.627 11.736 -18.081 1.00 0.00 C ATOM 79 O GLU A 6 1.639 12.134 -17.495 1.00 0.00 O ATOM 80 CB GLU A 6 -1.012 13.445 -17.224 1.00 0.00 C ATOM 81 CG GLU A 6 -1.058 14.294 -18.481 1.00 0.00 C ATOM 82 CD GLU A 6 -1.362 15.748 -18.188 1.00 0.00 C ATOM 83 OE1 GLU A 6 -0.413 16.520 -17.933 1.00 0.00 O ATOM 84 OE2 GLU A 6 -2.551 16.134 -18.219 1.00 0.00 O ATOM 0 H GLU A 6 -0.053 11.272 -15.632 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.497 11.591 -18.190 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.957 13.553 -16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.231 13.830 -16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.101 14.223 -18.998 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.816 13.897 -19.156 1.00 0.00 H new ATOM 91 N ILE A 7 0.674 11.092 -19.239 1.00 0.00 N ATOM 92 CA ILE A 7 1.946 10.761 -19.863 1.00 0.00 C ATOM 93 C ILE A 7 2.138 11.576 -21.126 1.00 0.00 C ATOM 94 O ILE A 7 1.202 11.778 -21.894 1.00 0.00 O ATOM 95 CB ILE A 7 2.067 9.259 -20.223 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.732 8.370 -19.028 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.464 8.940 -20.726 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.271 8.018 -18.946 1.00 0.00 C ATOM 0 H ILE A 7 -0.148 10.790 -19.762 1.00 0.00 H new ATOM 0 HA ILE A 7 2.717 10.996 -19.129 1.00 0.00 H new ATOM 0 HB ILE A 7 1.347 9.054 -21.015 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.318 7.453 -19.089 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.030 8.877 -18.110 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.528 7.880 -20.973 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.675 9.534 -21.615 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.193 9.176 -19.951 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.098 7.385 -18.076 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.318 8.930 -18.854 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.026 7.484 -19.848 1.00 0.00 H new ATOM 110 N GLU A 8 3.351 12.055 -21.324 1.00 0.00 N ATOM 111 CA GLU A 8 3.694 12.773 -22.536 1.00 0.00 C ATOM 112 C GLU A 8 3.643 11.833 -23.736 1.00 0.00 C ATOM 113 O GLU A 8 4.037 10.668 -23.639 1.00 0.00 O ATOM 114 CB GLU A 8 5.075 13.398 -22.385 1.00 0.00 C ATOM 115 CG GLU A 8 5.115 14.456 -21.300 1.00 0.00 C ATOM 116 CD GLU A 8 6.519 14.859 -20.915 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.137 15.654 -21.648 1.00 0.00 O ATOM 118 OE2 GLU A 8 7.006 14.388 -19.867 1.00 0.00 O ATOM 0 H GLU A 8 4.118 11.959 -20.658 1.00 0.00 H new ATOM 0 HA GLU A 8 2.970 13.570 -22.705 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.801 12.618 -22.155 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.375 13.843 -23.334 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.571 15.337 -21.640 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.596 14.082 -20.417 1.00 0.00 H new ATOM 125 N ILE A 9 3.156 12.347 -24.861 1.00 0.00 N ATOM 126 CA ILE A 9 2.915 11.538 -26.055 1.00 0.00 C ATOM 127 C ILE A 9 4.183 10.820 -26.527 1.00 0.00 C ATOM 128 O ILE A 9 4.114 9.746 -27.121 1.00 0.00 O ATOM 129 CB ILE A 9 2.321 12.399 -27.198 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.904 11.526 -28.381 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.307 13.471 -27.644 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.077 12.259 -29.421 1.00 0.00 C ATOM 0 H ILE A 9 2.917 13.332 -24.973 1.00 0.00 H new ATOM 0 HA ILE A 9 2.188 10.774 -25.781 1.00 0.00 H new ATOM 0 HB ILE A 9 1.431 12.896 -26.811 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.798 11.125 -28.858 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.333 10.675 -28.009 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.865 14.061 -28.447 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.542 14.122 -26.802 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.221 12.998 -28.002 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.819 11.575 -30.229 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.164 12.636 -28.960 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.653 13.093 -29.822 1.00 0.00 H new ATOM 144 N GLU A 10 5.335 11.412 -26.243 1.00 0.00 N ATOM 145 CA GLU A 10 6.615 10.836 -26.646 1.00 0.00 C ATOM 146 C GLU A 10 6.925 9.540 -25.890 1.00 0.00 C ATOM 147 O GLU A 10 7.619 8.668 -26.411 1.00 0.00 O ATOM 148 CB GLU A 10 7.750 11.841 -26.437 1.00 0.00 C ATOM 149 CG GLU A 10 7.911 12.298 -24.996 1.00 0.00 C ATOM 150 CD GLU A 10 9.160 13.126 -24.794 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.130 14.333 -25.096 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.181 12.569 -24.341 1.00 0.00 O ATOM 0 H GLU A 10 5.412 12.293 -25.734 1.00 0.00 H new ATOM 0 HA GLU A 10 6.536 10.596 -27.706 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.685 11.393 -26.772 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.571 12.713 -27.066 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.039 12.882 -24.703 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.946 11.427 -24.342 1.00 0.00 H new ATOM 159 N ASP A 11 6.415 9.413 -24.669 1.00 0.00 N ATOM 160 CA ASP A 11 6.680 8.223 -23.860 1.00 0.00 C ATOM 161 C ASP A 11 5.733 7.099 -24.261 1.00 0.00 C ATOM 162 O ASP A 11 6.121 5.930 -24.306 1.00 0.00 O ATOM 163 CB ASP A 11 6.552 8.536 -22.363 1.00 0.00 C ATOM 164 CG ASP A 11 7.007 7.380 -21.484 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.072 6.791 -21.773 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.312 7.057 -20.496 1.00 0.00 O ATOM 0 H ASP A 11 5.822 10.110 -24.219 1.00 0.00 H new ATOM 0 HA ASP A 11 7.705 7.900 -24.044 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.144 9.421 -22.128 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.514 8.776 -22.133 1.00 0.00 H new ATOM 171 N MET A 12 4.486 7.466 -24.542 1.00 0.00 N ATOM 172 CA MET A 12 3.520 6.543 -25.131 1.00 0.00 C ATOM 173 C MET A 12 4.090 5.910 -26.402 1.00 0.00 C ATOM 174 O MET A 12 4.551 6.613 -27.303 1.00 0.00 O ATOM 175 CB MET A 12 2.222 7.282 -25.465 1.00 0.00 C ATOM 176 CG MET A 12 1.530 7.891 -24.255 1.00 0.00 C ATOM 177 SD MET A 12 0.746 6.660 -23.198 1.00 0.00 S ATOM 178 CE MET A 12 -0.452 5.966 -24.333 1.00 0.00 C ATOM 0 H MET A 12 4.119 8.402 -24.370 1.00 0.00 H new ATOM 0 HA MET A 12 3.311 5.756 -24.406 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.440 8.073 -26.183 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.536 6.589 -25.953 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.259 8.452 -23.671 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.777 8.603 -24.594 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.265 5.509 -23.769 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.850 6.756 -24.969 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.030 5.209 -24.952 1.00 0.00 H new ATOM 188 N THR A 13 4.069 4.590 -26.467 1.00 0.00 N ATOM 189 CA THR A 13 4.581 3.874 -27.624 1.00 0.00 C ATOM 190 C THR A 13 3.557 3.901 -28.751 1.00 0.00 C ATOM 191 O THR A 13 2.424 3.472 -28.569 1.00 0.00 O ATOM 192 CB THR A 13 4.911 2.413 -27.261 1.00 0.00 C ATOM 193 OG1 THR A 13 5.793 2.384 -26.132 1.00 0.00 O ATOM 194 CG2 THR A 13 5.565 1.689 -28.428 1.00 0.00 C ATOM 0 H THR A 13 3.701 3.990 -25.729 1.00 0.00 H new ATOM 0 HA THR A 13 5.495 4.368 -27.953 1.00 0.00 H new ATOM 0 HB THR A 13 3.977 1.905 -27.020 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.000 1.454 -25.902 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.786 0.661 -28.141 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.888 1.690 -29.282 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.491 2.197 -28.698 1.00 0.00 H new ATOM 202 N PHE A 14 3.945 4.402 -29.910 1.00 0.00 N ATOM 203 CA PHE A 14 3.001 4.527 -31.010 1.00 0.00 C ATOM 204 C PHE A 14 3.065 3.326 -31.944 1.00 0.00 C ATOM 205 O PHE A 14 4.144 2.857 -32.306 1.00 0.00 O ATOM 206 CB PHE A 14 3.210 5.833 -31.795 1.00 0.00 C ATOM 207 CG PHE A 14 4.612 6.085 -32.282 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.053 5.552 -33.484 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.479 6.876 -31.546 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.334 5.799 -33.937 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.760 7.128 -31.998 1.00 0.00 C ATOM 212 CZ PHE A 14 7.189 6.588 -33.194 1.00 0.00 C ATOM 0 H PHE A 14 4.891 4.725 -30.114 1.00 0.00 H new ATOM 0 HA PHE A 14 2.005 4.558 -30.567 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.541 5.829 -32.656 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.909 6.668 -31.162 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.388 4.937 -34.072 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.150 7.300 -30.609 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.667 5.375 -34.873 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.426 7.748 -31.416 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.191 6.782 -33.547 1.00 0.00 H new ATOM 222 N GLU A 15 1.894 2.821 -32.305 1.00 0.00 N ATOM 223 CA GLU A 15 1.773 1.751 -33.278 1.00 0.00 C ATOM 224 C GLU A 15 1.221 2.306 -34.577 1.00 0.00 C ATOM 225 O GLU A 15 0.005 2.434 -34.740 1.00 0.00 O ATOM 226 CB GLU A 15 0.876 0.622 -32.756 1.00 0.00 C ATOM 227 CG GLU A 15 1.565 -0.328 -31.787 1.00 0.00 C ATOM 228 CD GLU A 15 1.913 0.324 -30.467 1.00 0.00 C ATOM 229 OE1 GLU A 15 1.192 1.255 -30.052 1.00 0.00 O ATOM 230 OE2 GLU A 15 2.912 -0.093 -29.837 1.00 0.00 O ATOM 0 H GLU A 15 1.002 3.143 -31.930 1.00 0.00 H new ATOM 0 HA GLU A 15 2.763 1.331 -33.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.010 1.061 -32.262 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.502 0.049 -33.605 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.916 -1.184 -31.603 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.475 -0.711 -32.248 1.00 0.00 H new ATOM 237 N PRO A 16 2.116 2.665 -35.510 1.00 0.00 N ATOM 238 CA PRO A 16 1.741 3.296 -36.778 1.00 0.00 C ATOM 239 C PRO A 16 0.813 2.427 -37.617 1.00 0.00 C ATOM 240 O PRO A 16 0.008 2.943 -38.390 1.00 0.00 O ATOM 241 CB PRO A 16 3.078 3.499 -37.500 1.00 0.00 C ATOM 242 CG PRO A 16 4.033 2.577 -36.827 1.00 0.00 C ATOM 243 CD PRO A 16 3.574 2.480 -35.404 1.00 0.00 C ATOM 0 HA PRO A 16 1.189 4.221 -36.612 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.991 3.268 -38.562 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.412 4.534 -37.425 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.033 1.597 -37.305 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.052 2.960 -36.884 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.827 1.516 -34.964 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.033 3.246 -34.779 1.00 0.00 H new ATOM 251 N GLU A 17 0.915 1.112 -37.450 1.00 0.00 N ATOM 252 CA GLU A 17 0.089 0.182 -38.208 1.00 0.00 C ATOM 253 C GLU A 17 -1.343 0.202 -37.689 1.00 0.00 C ATOM 254 O GLU A 17 -2.289 -0.059 -38.431 1.00 0.00 O ATOM 255 CB GLU A 17 0.646 -1.243 -38.120 1.00 0.00 C ATOM 256 CG GLU A 17 2.156 -1.333 -38.293 1.00 0.00 C ATOM 257 CD GLU A 17 2.897 -1.320 -36.969 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.515 -0.544 -36.069 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.868 -2.093 -36.820 1.00 0.00 O ATOM 0 H GLU A 17 1.561 0.668 -36.797 1.00 0.00 H new ATOM 0 HA GLU A 17 0.100 0.498 -39.251 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.376 -1.668 -37.153 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.167 -1.857 -38.883 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.402 -2.247 -38.834 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.498 -0.498 -38.905 1.00 0.00 H new ATOM 266 N ASN A 18 -1.494 0.534 -36.413 1.00 0.00 N ATOM 267 CA ASN A 18 -2.805 0.564 -35.774 1.00 0.00 C ATOM 268 C ASN A 18 -3.370 1.979 -35.759 1.00 0.00 C ATOM 269 O ASN A 18 -4.538 2.185 -35.428 1.00 0.00 O ATOM 270 CB ASN A 18 -2.717 0.038 -34.338 1.00 0.00 C ATOM 271 CG ASN A 18 -2.349 -1.432 -34.255 1.00 0.00 C ATOM 272 OD1 ASN A 18 -2.806 -2.222 -35.215 1.00 0.00 O flip ATOM 273 ND2 ASN A 18 -1.669 -1.858 -33.321 1.00 0.00 N flip ATOM 0 H ASN A 18 -0.721 0.787 -35.797 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.470 -0.077 -36.352 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.977 0.621 -33.790 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.676 0.193 -33.843 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.335 -1.218 -32.600 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.440 -2.851 -33.268 1.00 0.00 H new ATOM 280 N GLN A 19 -2.524 2.945 -36.117 1.00 0.00 N ATOM 281 CA GLN A 19 -2.890 4.364 -36.108 1.00 0.00 C ATOM 282 C GLN A 19 -3.227 4.829 -34.693 1.00 0.00 C ATOM 283 O GLN A 19 -4.118 5.662 -34.504 1.00 0.00 O ATOM 284 CB GLN A 19 -4.087 4.659 -37.028 1.00 0.00 C ATOM 285 CG GLN A 19 -3.806 4.584 -38.527 1.00 0.00 C ATOM 286 CD GLN A 19 -3.724 3.164 -39.055 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.740 2.552 -39.383 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.518 2.646 -39.194 1.00 0.00 N ATOM 0 H GLN A 19 -1.567 2.768 -36.421 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.023 4.910 -36.481 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.885 3.956 -36.791 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.462 5.656 -36.797 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.590 5.118 -39.063 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.868 5.097 -38.739 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.697 3.182 -38.912 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.407 1.710 -39.584 1.00 0.00 H new ATOM 297 N MET A 20 -2.511 4.315 -33.699 1.00 0.00 N ATOM 298 CA MET A 20 -2.803 4.666 -32.315 1.00 0.00 C ATOM 299 C MET A 20 -1.558 4.576 -31.443 1.00 0.00 C ATOM 300 O MET A 20 -0.521 4.066 -31.869 1.00 0.00 O ATOM 301 CB MET A 20 -3.901 3.759 -31.743 1.00 0.00 C ATOM 302 CG MET A 20 -3.498 2.296 -31.627 1.00 0.00 C ATOM 303 SD MET A 20 -4.779 1.288 -30.857 1.00 0.00 S ATOM 304 CE MET A 20 -3.992 -0.321 -30.865 1.00 0.00 C ATOM 0 H MET A 20 -1.736 3.664 -33.822 1.00 0.00 H new ATOM 0 HA MET A 20 -3.154 5.698 -32.310 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.184 4.126 -30.757 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.785 3.832 -32.376 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.278 1.903 -32.620 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.580 2.220 -31.044 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.362 -0.911 -30.027 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.222 -0.834 -31.799 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.913 -0.199 -30.774 1.00 0.00 H new ATOM 314 N PHE A 21 -1.673 5.087 -30.226 1.00 0.00 N ATOM 315 CA PHE A 21 -0.606 5.001 -29.241 1.00 0.00 C ATOM 316 C PHE A 21 -1.021 4.045 -28.134 1.00 0.00 C ATOM 317 O PHE A 21 -2.186 4.024 -27.732 1.00 0.00 O ATOM 318 CB PHE A 21 -0.308 6.378 -28.631 1.00 0.00 C ATOM 319 CG PHE A 21 0.406 7.336 -29.542 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.235 7.897 -30.634 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.721 7.690 -29.288 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.423 8.788 -31.457 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.385 8.580 -30.110 1.00 0.00 C ATOM 324 CZ PHE A 21 1.736 9.130 -31.196 1.00 0.00 C ATOM 0 H PHE A 21 -2.507 5.572 -29.894 1.00 0.00 H new ATOM 0 HA PHE A 21 0.294 4.638 -29.738 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.249 6.831 -28.318 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.293 6.238 -27.733 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.261 7.634 -30.844 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.233 7.265 -28.437 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.088 9.218 -32.305 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.411 8.845 -29.903 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.253 9.826 -31.840 1.00 0.00 H new ATOM 334 N THR A 22 -0.088 3.245 -27.655 1.00 0.00 N ATOM 335 CA THR A 22 -0.364 2.350 -26.551 1.00 0.00 C ATOM 336 C THR A 22 0.670 2.521 -25.446 1.00 0.00 C ATOM 337 O THR A 22 1.733 3.107 -25.656 1.00 0.00 O ATOM 338 CB THR A 22 -0.391 0.876 -27.000 1.00 0.00 C ATOM 339 OG1 THR A 22 0.876 0.504 -27.553 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.490 0.639 -28.029 1.00 0.00 C ATOM 0 H THR A 22 0.866 3.197 -28.013 1.00 0.00 H new ATOM 0 HA THR A 22 -1.351 2.612 -26.171 1.00 0.00 H new ATOM 0 HB THR A 22 -0.597 0.261 -26.124 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.097 1.103 -28.297 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.487 -0.409 -28.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.457 0.889 -27.593 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.313 1.267 -28.902 1.00 0.00 H new ATOM 348 N TYR A 23 0.351 2.023 -24.266 1.00 0.00 N ATOM 349 CA TYR A 23 1.282 2.064 -23.160 1.00 0.00 C ATOM 350 C TYR A 23 1.300 0.711 -22.468 1.00 0.00 C ATOM 351 O TYR A 23 0.248 0.177 -22.116 1.00 0.00 O ATOM 352 CB TYR A 23 0.913 3.169 -22.166 1.00 0.00 C ATOM 353 CG TYR A 23 2.089 3.648 -21.338 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.171 4.274 -21.944 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.120 3.476 -19.958 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.247 4.716 -21.204 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.197 3.919 -19.210 1.00 0.00 C ATOM 358 CZ TYR A 23 4.258 4.539 -19.840 1.00 0.00 C ATOM 359 OH TYR A 23 5.335 4.985 -19.106 1.00 0.00 O ATOM 0 H TYR A 23 -0.545 1.586 -24.051 1.00 0.00 H new ATOM 0 HA TYR A 23 2.276 2.288 -23.547 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.494 4.014 -22.712 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.133 2.802 -21.499 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.169 4.417 -23.014 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.292 2.990 -19.463 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.079 5.200 -21.694 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.208 3.780 -18.139 1.00 0.00 H new ATOM 0 HH TYR A 23 5.751 5.745 -19.564 1.00 0.00 H new ATOM 369 N PRO A 24 2.497 0.130 -22.311 1.00 0.00 N ATOM 370 CA PRO A 24 2.676 -1.181 -21.679 1.00 0.00 C ATOM 371 C PRO A 24 1.992 -1.293 -20.321 1.00 0.00 C ATOM 372 O PRO A 24 2.354 -0.600 -19.369 1.00 0.00 O ATOM 373 CB PRO A 24 4.192 -1.302 -21.514 1.00 0.00 C ATOM 374 CG PRO A 24 4.773 -0.395 -22.543 1.00 0.00 C ATOM 375 CD PRO A 24 3.775 0.711 -22.758 1.00 0.00 C ATOM 0 HA PRO A 24 2.229 -1.970 -22.283 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.503 -1.009 -20.511 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.523 -2.330 -21.663 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.730 0.007 -22.209 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.960 -0.933 -23.472 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.033 1.599 -22.181 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.732 1.012 -23.805 1.00 0.00 H new ATOM 383 N CYS A 25 1.002 -2.171 -20.248 1.00 0.00 N ATOM 384 CA CYS A 25 0.294 -2.435 -19.009 1.00 0.00 C ATOM 385 C CYS A 25 0.260 -3.932 -18.742 1.00 0.00 C ATOM 386 O CYS A 25 0.085 -4.731 -19.666 1.00 0.00 O ATOM 387 CB CYS A 25 -1.132 -1.879 -19.083 1.00 0.00 C ATOM 388 SG CYS A 25 -2.173 -2.249 -17.628 1.00 0.00 S ATOM 0 H CYS A 25 0.670 -2.717 -21.043 1.00 0.00 H new ATOM 0 HA CYS A 25 0.818 -1.940 -18.191 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.080 -0.798 -19.209 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.618 -2.281 -19.972 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.938 -3.267 -17.890 1.00 0.00 H new ATOM 393 N PRO A 26 0.491 -4.340 -17.491 1.00 0.00 N ATOM 394 CA PRO A 26 0.333 -5.717 -17.082 1.00 0.00 C ATOM 395 C PRO A 26 -1.083 -5.990 -16.584 1.00 0.00 C ATOM 396 O PRO A 26 -1.529 -5.394 -15.603 1.00 0.00 O ATOM 397 CB PRO A 26 1.343 -5.863 -15.935 1.00 0.00 C ATOM 398 CG PRO A 26 1.813 -4.473 -15.603 1.00 0.00 C ATOM 399 CD PRO A 26 0.949 -3.513 -16.377 1.00 0.00 C ATOM 0 HA PRO A 26 0.499 -6.419 -17.899 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.880 -6.334 -15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.180 -6.495 -16.232 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.732 -4.285 -14.532 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.862 -4.348 -15.871 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.118 -3.140 -15.778 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.511 -2.644 -16.719 1.00 0.00 H new ATOM 407 N CYS A 27 -1.763 -6.917 -17.248 1.00 0.00 N ATOM 408 CA CYS A 27 -3.137 -7.279 -16.919 1.00 0.00 C ATOM 409 C CYS A 27 -3.631 -8.284 -17.945 1.00 0.00 C ATOM 410 O CYS A 27 -4.253 -9.296 -17.616 1.00 0.00 O ATOM 411 CB CYS A 27 -4.053 -6.045 -16.926 1.00 0.00 C ATOM 412 SG CYS A 27 -4.277 -5.282 -18.570 1.00 0.00 S ATOM 0 H CYS A 27 -1.376 -7.441 -18.033 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.160 -7.709 -15.918 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.030 -6.330 -16.535 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.643 -5.299 -16.245 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.875 -4.135 -18.438 1.00 0.00 H new ATOM 417 N GLY A 28 -3.321 -7.983 -19.194 1.00 0.00 N ATOM 418 CA GLY A 28 -3.712 -8.815 -20.303 1.00 0.00 C ATOM 419 C GLY A 28 -3.669 -8.031 -21.594 1.00 0.00 C ATOM 420 O GLY A 28 -3.543 -8.600 -22.681 1.00 0.00 O ATOM 0 H GLY A 28 -2.791 -7.153 -19.461 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.047 -9.676 -20.371 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.718 -9.201 -20.139 1.00 0.00 H new ATOM 424 N ASP A 29 -3.775 -6.714 -21.473 1.00 0.00 N ATOM 425 CA ASP A 29 -3.722 -5.829 -22.625 1.00 0.00 C ATOM 426 C ASP A 29 -2.970 -4.552 -22.267 1.00 0.00 C ATOM 427 O ASP A 29 -2.522 -4.389 -21.138 1.00 0.00 O ATOM 428 CB ASP A 29 -5.125 -5.499 -23.138 1.00 0.00 C ATOM 429 CG ASP A 29 -5.162 -5.341 -24.649 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.255 -4.696 -25.216 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.083 -5.899 -25.281 1.00 0.00 O ATOM 0 H ASP A 29 -3.899 -6.234 -20.581 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.190 -6.343 -23.425 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.814 -6.289 -22.840 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.474 -4.579 -22.670 1.00 0.00 H new ATOM 436 N ARG A 30 -2.772 -3.696 -23.251 1.00 0.00 N ATOM 437 CA ARG A 30 -2.043 -2.444 -23.075 1.00 0.00 C ATOM 438 C ARG A 30 -2.974 -1.249 -23.249 1.00 0.00 C ATOM 439 O ARG A 30 -3.974 -1.341 -23.965 1.00 0.00 O ATOM 440 CB ARG A 30 -0.909 -2.368 -24.099 1.00 0.00 C ATOM 441 CG ARG A 30 -1.290 -2.967 -25.445 1.00 0.00 C ATOM 442 CD ARG A 30 -0.319 -2.579 -26.547 1.00 0.00 C ATOM 443 NE ARG A 30 -0.525 -3.364 -27.772 1.00 0.00 N ATOM 444 CZ ARG A 30 -1.667 -3.412 -28.474 1.00 0.00 C ATOM 445 NH1 ARG A 30 -2.749 -2.755 -28.061 1.00 0.00 N ATOM 446 NH2 ARG A 30 -1.723 -4.125 -29.593 1.00 0.00 N ATOM 0 H ARG A 30 -3.112 -3.845 -24.201 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.631 -2.417 -22.066 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.621 -1.326 -24.238 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.036 -2.891 -23.708 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.324 -4.053 -25.360 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.293 -2.637 -25.716 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.434 -1.519 -26.773 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.703 -2.720 -26.195 1.00 0.00 H new ATOM 0 HE ARG A 30 0.262 -3.915 -28.115 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.716 -2.207 -27.201 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.611 -2.800 -28.604 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.900 -4.633 -29.916 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.589 -4.164 -30.130 1.00 0.00 H new ATOM 460 N PHE A 31 -2.635 -0.131 -22.602 1.00 0.00 N ATOM 461 CA PHE A 31 -3.401 1.108 -22.747 1.00 0.00 C ATOM 462 C PHE A 31 -3.500 1.496 -24.213 1.00 0.00 C ATOM 463 O PHE A 31 -2.515 1.417 -24.940 1.00 0.00 O ATOM 464 CB PHE A 31 -2.745 2.259 -21.975 1.00 0.00 C ATOM 465 CG PHE A 31 -2.827 2.140 -20.482 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.935 2.613 -19.798 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.791 1.572 -19.759 1.00 0.00 C ATOM 468 CE1 PHE A 31 -4.008 2.517 -18.422 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.858 1.475 -18.384 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.967 1.948 -17.714 1.00 0.00 C ATOM 0 H PHE A 31 -1.835 -0.059 -21.973 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.396 0.929 -22.340 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.696 2.320 -22.264 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.214 3.195 -22.277 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.750 3.061 -20.346 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.920 1.200 -20.278 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.878 2.886 -17.900 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.043 1.029 -17.833 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.021 1.874 -16.638 1.00 0.00 H new ATOM 480 N GLN A 32 -4.680 1.904 -24.646 1.00 0.00 N ATOM 481 CA GLN A 32 -4.889 2.265 -26.038 1.00 0.00 C ATOM 482 C GLN A 32 -5.543 3.634 -26.168 1.00 0.00 C ATOM 483 O GLN A 32 -6.605 3.888 -25.599 1.00 0.00 O ATOM 484 CB GLN A 32 -5.745 1.205 -26.733 1.00 0.00 C ATOM 485 CG GLN A 32 -5.061 -0.149 -26.824 1.00 0.00 C ATOM 486 CD GLN A 32 -5.956 -1.237 -27.388 1.00 0.00 C ATOM 487 OE1 GLN A 32 -5.482 -2.156 -28.055 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.249 -1.160 -27.110 1.00 0.00 N ATOM 0 H GLN A 32 -5.507 1.994 -24.055 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.913 2.314 -26.521 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.685 1.095 -26.193 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.993 1.548 -27.737 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.173 -0.058 -27.449 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.723 -0.445 -25.831 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.606 -0.383 -26.554 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.888 -1.878 -27.452 1.00 0.00 H new ATOM 497 N ILE A 33 -4.886 4.515 -26.908 1.00 0.00 N ATOM 498 CA ILE A 33 -5.436 5.825 -27.224 1.00 0.00 C ATOM 499 C ILE A 33 -5.393 6.050 -28.736 1.00 0.00 C ATOM 500 O ILE A 33 -4.351 5.889 -29.376 1.00 0.00 O ATOM 501 CB ILE A 33 -4.695 6.962 -26.478 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.298 8.320 -26.839 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.201 6.938 -26.771 1.00 0.00 C ATOM 504 CD1 ILE A 33 -4.665 9.480 -26.104 1.00 0.00 C ATOM 0 H ILE A 33 -3.962 4.344 -27.304 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.472 5.847 -26.885 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.822 6.800 -25.408 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.193 8.481 -27.912 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.366 8.303 -26.622 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.711 7.749 -26.232 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.783 5.984 -26.450 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.038 7.064 -27.841 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.144 10.410 -26.411 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.793 9.343 -25.030 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.602 9.524 -26.340 1.00 0.00 H new ATOM 516 N TYR A 34 -6.536 6.401 -29.304 1.00 0.00 N ATOM 517 CA TYR A 34 -6.678 6.480 -30.752 1.00 0.00 C ATOM 518 C TYR A 34 -6.425 7.895 -31.248 1.00 0.00 C ATOM 519 O TYR A 34 -6.987 8.856 -30.721 1.00 0.00 O ATOM 520 CB TYR A 34 -8.076 6.013 -31.162 1.00 0.00 C ATOM 521 CG TYR A 34 -8.469 4.699 -30.525 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.010 3.492 -31.036 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.293 4.668 -29.406 1.00 0.00 C ATOM 524 CE1 TYR A 34 -8.359 2.291 -30.449 1.00 0.00 C ATOM 525 CE2 TYR A 34 -9.646 3.471 -28.814 1.00 0.00 C ATOM 526 CZ TYR A 34 -9.179 2.286 -29.339 1.00 0.00 C ATOM 527 OH TYR A 34 -9.531 1.092 -28.750 1.00 0.00 O ATOM 0 H TYR A 34 -7.381 6.636 -28.784 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.935 5.827 -31.209 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.804 6.776 -30.886 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.116 5.911 -32.247 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.370 3.492 -31.906 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.663 5.595 -28.993 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.992 1.361 -30.857 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.285 3.464 -27.944 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.111 1.266 -27.979 1.00 0.00 H new ATOM 537 N LEU A 35 -5.584 8.007 -32.272 1.00 0.00 N ATOM 538 CA LEU A 35 -5.216 9.298 -32.845 1.00 0.00 C ATOM 539 C LEU A 35 -6.463 10.025 -33.353 1.00 0.00 C ATOM 540 O LEU A 35 -6.537 11.253 -33.321 1.00 0.00 O ATOM 541 CB LEU A 35 -4.215 9.088 -33.992 1.00 0.00 C ATOM 542 CG LEU A 35 -3.161 10.191 -34.184 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.793 11.495 -34.637 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.376 10.396 -32.898 1.00 0.00 C ATOM 0 H LEU A 35 -5.140 7.209 -32.726 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.749 9.911 -32.075 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.696 8.144 -33.825 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.775 8.984 -34.921 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.477 9.868 -34.969 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.018 12.251 -34.762 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.306 11.340 -35.586 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.510 11.831 -33.888 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.633 11.179 -33.046 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.057 10.689 -32.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.875 9.467 -32.626 1.00 0.00 H new ATOM 556 N ASP A 36 -7.441 9.248 -33.805 1.00 0.00 N ATOM 557 CA ASP A 36 -8.708 9.790 -34.291 1.00 0.00 C ATOM 558 C ASP A 36 -9.354 10.694 -33.249 1.00 0.00 C ATOM 559 O ASP A 36 -9.773 11.811 -33.559 1.00 0.00 O ATOM 560 CB ASP A 36 -9.669 8.650 -34.638 1.00 0.00 C ATOM 561 CG ASP A 36 -11.016 9.146 -35.133 1.00 0.00 C ATOM 562 OD1 ASP A 36 -11.881 9.484 -34.296 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.225 9.175 -36.365 1.00 0.00 O ATOM 0 H ASP A 36 -7.381 8.231 -33.846 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.499 10.380 -35.184 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.216 8.019 -35.403 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.818 8.026 -33.757 1.00 0.00 H new ATOM 568 N ASP A 37 -9.405 10.217 -32.012 1.00 0.00 N ATOM 569 CA ASP A 37 -10.067 10.948 -30.941 1.00 0.00 C ATOM 570 C ASP A 37 -9.125 11.993 -30.354 1.00 0.00 C ATOM 571 O ASP A 37 -9.564 13.004 -29.804 1.00 0.00 O ATOM 572 CB ASP A 37 -10.554 9.980 -29.858 1.00 0.00 C ATOM 573 CG ASP A 37 -11.629 10.588 -28.978 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.597 11.160 -29.528 1.00 0.00 O ATOM 575 OD2 ASP A 37 -11.533 10.466 -27.740 1.00 0.00 O ATOM 0 H ASP A 37 -8.996 9.327 -31.726 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.935 11.464 -31.351 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.942 9.077 -30.330 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.710 9.678 -29.239 1.00 0.00 H new ATOM 580 N MET A 38 -7.821 11.754 -30.498 1.00 0.00 N ATOM 581 CA MET A 38 -6.812 12.731 -30.089 1.00 0.00 C ATOM 582 C MET A 38 -6.929 13.979 -30.951 1.00 0.00 C ATOM 583 O MET A 38 -6.798 15.102 -30.465 1.00 0.00 O ATOM 584 CB MET A 38 -5.400 12.142 -30.199 1.00 0.00 C ATOM 585 CG MET A 38 -5.187 10.919 -29.323 1.00 0.00 C ATOM 586 SD MET A 38 -3.521 10.233 -29.456 1.00 0.00 S ATOM 587 CE MET A 38 -2.561 11.505 -28.639 1.00 0.00 C ATOM 0 H MET A 38 -7.440 10.895 -30.894 1.00 0.00 H new ATOM 0 HA MET A 38 -6.987 12.994 -29.046 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.206 11.874 -31.238 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.673 12.907 -29.926 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.382 11.185 -28.284 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.912 10.153 -29.597 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.564 11.123 -28.419 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.481 12.375 -29.290 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.053 11.792 -27.710 1.00 0.00 H new ATOM 597 N PHE A 39 -7.199 13.768 -32.235 1.00 0.00 N ATOM 598 CA PHE A 39 -7.432 14.864 -33.166 1.00 0.00 C ATOM 599 C PHE A 39 -8.710 15.613 -32.791 1.00 0.00 C ATOM 600 O PHE A 39 -8.828 16.816 -33.024 1.00 0.00 O ATOM 601 CB PHE A 39 -7.531 14.324 -34.600 1.00 0.00 C ATOM 602 CG PHE A 39 -7.740 15.385 -35.647 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.682 16.170 -36.077 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.995 15.594 -36.203 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.870 17.142 -37.042 1.00 0.00 C ATOM 606 CE2 PHE A 39 -9.189 16.564 -37.167 1.00 0.00 C ATOM 607 CZ PHE A 39 -8.125 17.340 -37.587 1.00 0.00 C ATOM 0 H PHE A 39 -7.262 12.841 -32.656 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.594 15.558 -33.110 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.619 13.775 -34.833 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.354 13.612 -34.652 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.700 16.021 -35.654 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.830 14.991 -35.878 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.037 17.746 -37.370 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.170 16.716 -37.592 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.274 18.100 -38.340 1.00 0.00 H new ATOM 617 N GLU A 40 -9.655 14.895 -32.189 1.00 0.00 N ATOM 618 CA GLU A 40 -10.914 15.484 -31.753 1.00 0.00 C ATOM 619 C GLU A 40 -10.708 16.399 -30.551 1.00 0.00 C ATOM 620 O GLU A 40 -11.605 17.156 -30.177 1.00 0.00 O ATOM 621 CB GLU A 40 -11.915 14.384 -31.399 1.00 0.00 C ATOM 622 CG GLU A 40 -12.429 13.610 -32.602 1.00 0.00 C ATOM 623 CD GLU A 40 -13.174 14.486 -33.588 1.00 0.00 C ATOM 624 OE1 GLU A 40 -12.524 15.072 -34.479 1.00 0.00 O ATOM 625 OE2 GLU A 40 -14.415 14.584 -33.485 1.00 0.00 O ATOM 0 H GLU A 40 -9.569 13.898 -31.992 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.307 16.082 -32.575 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.445 13.688 -30.705 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.762 14.831 -30.878 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.589 13.134 -33.108 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.089 12.813 -32.260 1.00 0.00 H new ATOM 632 N GLY A 41 -9.531 16.326 -29.946 1.00 0.00 N ATOM 633 CA GLY A 41 -9.224 17.180 -28.819 1.00 0.00 C ATOM 634 C GLY A 41 -9.205 16.427 -27.506 1.00 0.00 C ATOM 635 O GLY A 41 -8.837 16.983 -26.471 1.00 0.00 O ATOM 0 H GLY A 41 -8.782 15.689 -30.217 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.254 17.650 -28.978 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.961 17.981 -28.764 1.00 0.00 H new ATOM 639 N GLU A 42 -9.599 15.165 -27.542 1.00 0.00 N ATOM 640 CA GLU A 42 -9.610 14.341 -26.343 1.00 0.00 C ATOM 641 C GLU A 42 -8.314 13.546 -26.256 1.00 0.00 C ATOM 642 O GLU A 42 -7.831 13.034 -27.262 1.00 0.00 O ATOM 643 CB GLU A 42 -10.811 13.391 -26.366 1.00 0.00 C ATOM 644 CG GLU A 42 -11.156 12.804 -25.007 1.00 0.00 C ATOM 645 CD GLU A 42 -11.589 13.868 -24.022 1.00 0.00 C ATOM 646 OE1 GLU A 42 -12.702 14.416 -24.187 1.00 0.00 O ATOM 647 OE2 GLU A 42 -10.814 14.177 -23.095 1.00 0.00 O ATOM 0 H GLU A 42 -9.915 14.688 -28.387 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.693 14.986 -25.468 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.679 13.927 -26.751 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.605 12.577 -27.061 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.954 12.070 -25.121 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.290 12.274 -24.611 1.00 0.00 H new ATOM 654 N LYS A 43 -7.741 13.446 -25.065 1.00 0.00 N ATOM 655 CA LYS A 43 -6.500 12.707 -24.909 1.00 0.00 C ATOM 656 C LYS A 43 -6.506 11.863 -23.637 1.00 0.00 C ATOM 657 O LYS A 43 -6.293 12.351 -22.527 1.00 0.00 O ATOM 658 CB LYS A 43 -5.275 13.634 -24.956 1.00 0.00 C ATOM 659 CG LYS A 43 -5.183 14.646 -23.825 1.00 0.00 C ATOM 660 CD LYS A 43 -6.205 15.756 -23.953 1.00 0.00 C ATOM 661 CE LYS A 43 -6.127 16.695 -22.770 1.00 0.00 C ATOM 662 NZ LYS A 43 -6.436 16.001 -21.491 1.00 0.00 N ATOM 0 H LYS A 43 -8.108 13.859 -24.208 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.425 12.026 -25.757 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.375 13.020 -24.946 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.283 14.172 -25.904 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.324 14.135 -22.873 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.182 15.078 -23.809 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.033 16.311 -24.875 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.206 15.329 -24.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.129 17.129 -22.716 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.825 17.519 -22.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.721 16.701 -20.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.211 15.324 -21.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.592 15.492 -21.159 1.00 0.00 H new ATOM 676 N VAL A 44 -6.748 10.580 -23.823 1.00 0.00 N ATOM 677 CA VAL A 44 -6.773 9.623 -22.732 1.00 0.00 C ATOM 678 C VAL A 44 -6.711 8.206 -23.289 1.00 0.00 C ATOM 679 O VAL A 44 -7.440 7.857 -24.216 1.00 0.00 O ATOM 680 CB VAL A 44 -8.030 9.801 -21.838 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.260 10.063 -22.686 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.254 8.586 -20.943 1.00 0.00 C ATOM 0 H VAL A 44 -6.934 10.170 -24.738 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.901 9.804 -22.104 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.857 10.665 -21.197 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.129 10.185 -22.039 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.113 10.971 -23.270 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.424 9.222 -23.359 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.142 8.744 -20.331 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.393 7.699 -21.561 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.388 8.446 -20.297 1.00 0.00 H new ATOM 692 N ALA A 45 -5.818 7.406 -22.739 1.00 0.00 N ATOM 693 CA ALA A 45 -5.671 6.032 -23.165 1.00 0.00 C ATOM 694 C ALA A 45 -6.374 5.115 -22.185 1.00 0.00 C ATOM 695 O ALA A 45 -6.205 5.239 -20.968 1.00 0.00 O ATOM 696 CB ALA A 45 -4.203 5.661 -23.288 1.00 0.00 C ATOM 0 H ALA A 45 -5.182 7.688 -21.993 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.129 5.917 -24.148 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.116 4.623 -23.610 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.724 6.310 -24.021 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.715 5.784 -22.321 1.00 0.00 H new ATOM 702 N VAL A 46 -7.179 4.218 -22.712 1.00 0.00 N ATOM 703 CA VAL A 46 -7.895 3.274 -21.885 1.00 0.00 C ATOM 704 C VAL A 46 -7.342 1.883 -22.101 1.00 0.00 C ATOM 705 O VAL A 46 -7.009 1.506 -23.225 1.00 0.00 O ATOM 706 CB VAL A 46 -9.411 3.287 -22.184 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.686 2.979 -23.650 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.156 2.316 -21.280 1.00 0.00 C ATOM 0 H VAL A 46 -7.354 4.123 -23.712 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.758 3.569 -20.845 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.779 4.292 -21.977 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.761 2.995 -23.830 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.202 3.728 -24.276 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.292 1.993 -23.895 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.220 2.346 -21.512 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.778 1.306 -21.441 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.004 2.599 -20.238 1.00 0.00 H new ATOM 718 N CYS A 47 -7.213 1.134 -21.031 1.00 0.00 N ATOM 719 CA CYS A 47 -6.735 -0.216 -21.142 1.00 0.00 C ATOM 720 C CYS A 47 -7.873 -1.193 -20.892 1.00 0.00 C ATOM 721 O CYS A 47 -8.671 -1.009 -19.970 1.00 0.00 O ATOM 722 CB CYS A 47 -5.592 -0.460 -20.160 1.00 0.00 C ATOM 723 SG CYS A 47 -4.682 -2.008 -20.443 1.00 0.00 S ATOM 0 H CYS A 47 -7.432 1.437 -20.082 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.356 -0.373 -22.152 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.893 0.375 -20.219 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.994 -0.468 -19.147 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.513 -3.008 -20.436 1.00 0.00 H new ATOM 728 N PRO A 48 -7.987 -2.217 -21.741 1.00 0.00 N ATOM 729 CA PRO A 48 -8.964 -3.279 -21.578 1.00 0.00 C ATOM 730 C PRO A 48 -8.478 -4.355 -20.607 1.00 0.00 C ATOM 731 O PRO A 48 -7.280 -4.472 -20.357 1.00 0.00 O ATOM 732 CB PRO A 48 -9.121 -3.838 -22.991 1.00 0.00 C ATOM 733 CG PRO A 48 -7.849 -3.513 -23.703 1.00 0.00 C ATOM 734 CD PRO A 48 -7.156 -2.411 -22.939 1.00 0.00 C ATOM 0 HA PRO A 48 -9.902 -2.921 -21.153 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.292 -4.914 -22.969 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.977 -3.390 -23.496 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.210 -4.394 -23.764 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.055 -3.197 -24.726 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.137 -2.692 -22.674 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.092 -1.497 -23.530 1.00 0.00 H new ATOM 742 N SER A 49 -9.431 -5.091 -20.032 1.00 0.00 N ATOM 743 CA SER A 49 -9.165 -6.182 -19.096 1.00 0.00 C ATOM 744 C SER A 49 -8.992 -5.648 -17.678 1.00 0.00 C ATOM 745 O SER A 49 -9.707 -6.067 -16.764 1.00 0.00 O ATOM 746 CB SER A 49 -7.962 -7.025 -19.529 1.00 0.00 C ATOM 747 OG SER A 49 -8.222 -7.712 -20.747 1.00 0.00 O ATOM 0 H SER A 49 -10.425 -4.942 -20.207 1.00 0.00 H new ATOM 0 HA SER A 49 -10.032 -6.842 -19.104 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.090 -6.382 -19.651 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.720 -7.745 -18.747 1.00 0.00 H new ATOM 0 HG SER A 49 -7.436 -8.240 -20.999 1.00 0.00 H new ATOM 753 N CYS A 50 -8.068 -4.718 -17.482 1.00 0.00 N ATOM 754 CA CYS A 50 -7.929 -4.090 -16.179 1.00 0.00 C ATOM 755 C CYS A 50 -8.866 -2.890 -16.100 1.00 0.00 C ATOM 756 O CYS A 50 -9.419 -2.587 -15.041 1.00 0.00 O ATOM 757 CB CYS A 50 -6.478 -3.671 -15.915 1.00 0.00 C ATOM 758 SG CYS A 50 -5.902 -2.267 -16.916 1.00 0.00 S ATOM 0 H CYS A 50 -7.416 -4.388 -18.194 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.200 -4.811 -15.407 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.373 -3.416 -14.861 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.827 -4.525 -16.102 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.618 -2.360 -17.096 1.00 0.00 H new ATOM 763 N SER A 51 -9.055 -2.244 -17.251 1.00 0.00 N ATOM 764 CA SER A 51 -9.947 -1.103 -17.389 1.00 0.00 C ATOM 765 C SER A 51 -9.430 0.110 -16.623 1.00 0.00 C ATOM 766 O SER A 51 -10.054 0.582 -15.672 1.00 0.00 O ATOM 767 CB SER A 51 -11.374 -1.466 -16.972 1.00 0.00 C ATOM 768 OG SER A 51 -11.948 -2.381 -17.894 1.00 0.00 O ATOM 0 H SER A 51 -8.587 -2.504 -18.119 1.00 0.00 H new ATOM 0 HA SER A 51 -9.971 -0.829 -18.444 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.366 -1.904 -15.974 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.984 -0.564 -16.920 1.00 0.00 H new ATOM 0 HG SER A 51 -12.859 -2.603 -17.610 1.00 0.00 H new ATOM 774 N LEU A 52 -8.279 0.608 -17.049 1.00 0.00 N ATOM 775 CA LEU A 52 -7.701 1.806 -16.480 1.00 0.00 C ATOM 776 C LEU A 52 -7.677 2.900 -17.533 1.00 0.00 C ATOM 777 O LEU A 52 -7.663 2.618 -18.731 1.00 0.00 O ATOM 778 CB LEU A 52 -6.282 1.532 -15.978 1.00 0.00 C ATOM 779 CG LEU A 52 -6.048 1.780 -14.484 1.00 0.00 C ATOM 780 CD1 LEU A 52 -4.605 1.470 -14.113 1.00 0.00 C ATOM 781 CD2 LEU A 52 -6.395 3.214 -14.112 1.00 0.00 C ATOM 0 H LEU A 52 -7.724 0.191 -17.797 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.308 2.126 -15.633 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.032 0.494 -16.199 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.589 2.155 -16.544 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.703 1.114 -13.922 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.456 1.651 -13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.388 0.426 -14.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.936 2.111 -14.687 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.221 3.366 -13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.769 3.900 -14.683 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.444 3.405 -14.339 1.00 0.00 H new ATOM 793 N MET A 53 -7.682 4.138 -17.083 1.00 0.00 N ATOM 794 CA MET A 53 -7.667 5.287 -17.984 1.00 0.00 C ATOM 795 C MET A 53 -6.628 6.292 -17.541 1.00 0.00 C ATOM 796 O MET A 53 -6.515 6.597 -16.351 1.00 0.00 O ATOM 797 CB MET A 53 -9.033 5.960 -18.016 1.00 0.00 C ATOM 798 CG MET A 53 -10.129 5.059 -18.546 1.00 0.00 C ATOM 799 SD MET A 53 -11.781 5.714 -18.240 1.00 0.00 S ATOM 800 CE MET A 53 -11.775 5.790 -16.451 1.00 0.00 C ATOM 0 H MET A 53 -7.696 4.382 -16.093 1.00 0.00 H new ATOM 0 HA MET A 53 -7.420 4.928 -18.983 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.294 6.286 -17.009 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.976 6.855 -18.636 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.991 4.919 -19.618 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.041 4.076 -18.083 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.796 5.702 -16.080 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.173 4.973 -16.054 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.353 6.742 -16.129 1.00 0.00 H new ATOM 810 N ILE A 54 -5.890 6.824 -18.497 1.00 0.00 N ATOM 811 CA ILE A 54 -4.829 7.768 -18.204 1.00 0.00 C ATOM 812 C ILE A 54 -4.752 8.839 -19.290 1.00 0.00 C ATOM 813 O ILE A 54 -5.062 8.576 -20.446 1.00 0.00 O ATOM 814 CB ILE A 54 -3.469 7.039 -18.033 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.164 6.104 -19.211 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.467 6.239 -16.742 1.00 0.00 C ATOM 817 CD1 ILE A 54 -2.564 6.799 -20.403 1.00 0.00 C ATOM 0 H ILE A 54 -6.007 6.617 -19.489 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.058 8.261 -17.259 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.693 7.804 -18.001 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.480 5.324 -18.875 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.086 5.609 -19.517 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.509 5.731 -16.630 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.622 6.911 -15.898 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.268 5.501 -16.770 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.377 6.071 -21.193 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.255 7.560 -20.766 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.624 7.270 -20.115 1.00 0.00 H new ATOM 829 N ASP A 55 -4.359 10.042 -18.907 1.00 0.00 N ATOM 830 CA ASP A 55 -4.337 11.183 -19.818 1.00 0.00 C ATOM 831 C ASP A 55 -3.026 11.192 -20.598 1.00 0.00 C ATOM 832 O ASP A 55 -2.013 10.688 -20.110 1.00 0.00 O ATOM 833 CB ASP A 55 -4.466 12.480 -19.017 1.00 0.00 C ATOM 834 CG ASP A 55 -5.069 13.618 -19.814 1.00 0.00 C ATOM 835 OD1 ASP A 55 -4.444 14.075 -20.791 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.166 14.084 -19.444 1.00 0.00 O ATOM 0 H ASP A 55 -4.047 10.259 -17.961 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.171 11.104 -20.516 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.082 12.296 -18.137 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.480 12.778 -18.660 1.00 0.00 H new ATOM 841 N VAL A 56 -3.030 11.762 -21.794 1.00 0.00 N ATOM 842 CA VAL A 56 -1.831 11.761 -22.631 1.00 0.00 C ATOM 843 C VAL A 56 -1.567 13.139 -23.234 1.00 0.00 C ATOM 844 O VAL A 56 -2.364 13.644 -24.013 1.00 0.00 O ATOM 845 CB VAL A 56 -1.930 10.719 -23.769 1.00 0.00 C ATOM 846 CG1 VAL A 56 -0.719 10.796 -24.689 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.086 9.314 -23.205 1.00 0.00 C ATOM 0 H VAL A 56 -3.839 12.227 -22.207 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.000 11.493 -21.978 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.817 10.952 -24.358 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.815 10.052 -25.480 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.661 11.791 -25.131 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.187 10.600 -24.115 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.154 8.598 -24.024 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.223 9.074 -22.584 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.993 9.262 -22.603 1.00 0.00 H new ATOM 857 N VAL A 57 -0.429 13.725 -22.883 1.00 0.00 N ATOM 858 CA VAL A 57 -0.056 15.049 -23.380 1.00 0.00 C ATOM 859 C VAL A 57 0.313 14.983 -24.859 1.00 0.00 C ATOM 860 O VAL A 57 1.363 14.454 -25.215 1.00 0.00 O ATOM 861 CB VAL A 57 1.139 15.635 -22.599 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.411 17.071 -23.021 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.900 15.546 -21.105 1.00 0.00 C ATOM 0 H VAL A 57 0.255 13.305 -22.254 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.922 15.696 -23.240 1.00 0.00 H new ATOM 0 HB VAL A 57 2.022 15.042 -22.836 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.258 17.462 -22.457 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.641 17.100 -24.086 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.530 17.681 -22.823 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.755 15.965 -20.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.002 16.107 -20.846 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.771 14.502 -20.819 1.00 0.00 H new ATOM 873 N PHE A 58 -0.544 15.516 -25.716 1.00 0.00 N ATOM 874 CA PHE A 58 -0.304 15.479 -27.154 1.00 0.00 C ATOM 875 C PHE A 58 0.019 16.872 -27.674 1.00 0.00 C ATOM 876 O PHE A 58 -0.208 17.868 -26.984 1.00 0.00 O ATOM 877 CB PHE A 58 -1.524 14.917 -27.893 1.00 0.00 C ATOM 878 CG PHE A 58 -2.707 15.850 -27.938 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.532 16.006 -26.836 1.00 0.00 C ATOM 880 CD2 PHE A 58 -2.998 16.565 -29.091 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.619 16.857 -26.881 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.087 17.415 -29.141 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.898 17.561 -28.035 1.00 0.00 C ATOM 0 H PHE A 58 -1.411 15.979 -25.443 1.00 0.00 H new ATOM 0 HA PHE A 58 0.548 14.825 -27.339 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.233 14.669 -28.914 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.828 13.987 -27.413 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.323 15.456 -25.931 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.366 16.456 -29.960 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.251 16.972 -26.013 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.303 17.964 -30.045 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.749 18.225 -28.072 1.00 0.00 H new ATOM 893 N ASP A 59 0.557 16.946 -28.884 1.00 0.00 N ATOM 894 CA ASP A 59 0.811 18.234 -29.508 1.00 0.00 C ATOM 895 C ASP A 59 0.337 18.233 -30.949 1.00 0.00 C ATOM 896 O ASP A 59 0.183 17.180 -31.567 1.00 0.00 O ATOM 897 CB ASP A 59 2.295 18.601 -29.484 1.00 0.00 C ATOM 898 CG ASP A 59 2.515 20.101 -29.593 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.335 20.665 -30.695 1.00 0.00 O ATOM 900 OD2 ASP A 59 2.851 20.728 -28.571 1.00 0.00 O ATOM 0 H ASP A 59 0.823 16.138 -29.447 1.00 0.00 H new ATOM 0 HA ASP A 59 0.258 18.974 -28.930 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.743 18.235 -28.560 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.805 18.100 -30.306 1.00 0.00 H new ATOM 905 N LYS A 60 0.144 19.427 -31.470 1.00 0.00 N ATOM 906 CA LYS A 60 -0.252 19.637 -32.849 1.00 0.00 C ATOM 907 C LYS A 60 0.828 19.106 -33.781 1.00 0.00 C ATOM 908 O LYS A 60 0.550 18.419 -34.766 1.00 0.00 O ATOM 909 CB LYS A 60 -0.423 21.135 -33.086 1.00 0.00 C ATOM 910 CG LYS A 60 -1.227 21.837 -32.001 1.00 0.00 C ATOM 911 CD LYS A 60 -1.012 23.343 -32.021 1.00 0.00 C ATOM 912 CE LYS A 60 0.461 23.714 -31.875 1.00 0.00 C ATOM 913 NZ LYS A 60 1.086 23.142 -30.645 1.00 0.00 N ATOM 0 H LYS A 60 0.259 20.291 -30.941 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.187 19.113 -33.046 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.561 21.598 -33.154 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.914 21.288 -34.047 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.287 21.620 -32.136 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.943 21.442 -31.026 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.398 23.752 -32.955 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.583 23.801 -31.213 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.007 23.363 -32.751 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.557 24.800 -31.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.749 23.833 -30.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.345 22.923 -29.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.600 22.271 -30.889 1.00 0.00 H new ATOM 927 N GLU A 61 2.067 19.429 -33.436 1.00 0.00 N ATOM 928 CA GLU A 61 3.220 19.076 -34.251 1.00 0.00 C ATOM 929 C GLU A 61 3.462 17.569 -34.224 1.00 0.00 C ATOM 930 O GLU A 61 3.866 16.976 -35.229 1.00 0.00 O ATOM 931 CB GLU A 61 4.456 19.829 -33.752 1.00 0.00 C ATOM 932 CG GLU A 61 4.203 21.316 -33.554 1.00 0.00 C ATOM 933 CD GLU A 61 5.449 22.097 -33.186 1.00 0.00 C ATOM 934 OE1 GLU A 61 6.143 21.711 -32.223 1.00 0.00 O ATOM 935 OE2 GLU A 61 5.727 23.118 -33.853 1.00 0.00 O ATOM 0 H GLU A 61 2.300 19.942 -32.586 1.00 0.00 H new ATOM 0 HA GLU A 61 3.022 19.365 -35.283 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.785 19.393 -32.809 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.269 19.696 -34.466 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.781 21.730 -34.470 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.456 21.448 -32.771 1.00 0.00 H new ATOM 942 N ASP A 62 3.205 16.954 -33.074 1.00 0.00 N ATOM 943 CA ASP A 62 3.357 15.510 -32.930 1.00 0.00 C ATOM 944 C ASP A 62 2.316 14.761 -33.757 1.00 0.00 C ATOM 945 O ASP A 62 2.639 13.785 -34.433 1.00 0.00 O ATOM 946 CB ASP A 62 3.248 15.092 -31.462 1.00 0.00 C ATOM 947 CG ASP A 62 4.468 15.481 -30.652 1.00 0.00 C ATOM 948 OD1 ASP A 62 4.543 16.640 -30.198 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.354 14.626 -30.457 1.00 0.00 O ATOM 0 H ASP A 62 2.891 17.432 -32.229 1.00 0.00 H new ATOM 0 HA ASP A 62 4.349 15.249 -33.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.363 15.552 -31.022 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.108 14.013 -31.405 1.00 0.00 H new ATOM 954 N LEU A 63 1.068 15.226 -33.704 1.00 0.00 N ATOM 955 CA LEU A 63 -0.023 14.579 -34.430 1.00 0.00 C ATOM 956 C LEU A 63 0.253 14.551 -35.928 1.00 0.00 C ATOM 957 O LEU A 63 0.136 13.507 -36.566 1.00 0.00 O ATOM 958 CB LEU A 63 -1.354 15.293 -34.174 1.00 0.00 C ATOM 959 CG LEU A 63 -1.835 15.305 -32.723 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.188 15.992 -32.627 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.909 13.893 -32.162 1.00 0.00 C ATOM 0 H LEU A 63 0.788 16.047 -33.167 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.091 13.555 -34.063 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.263 16.324 -34.515 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.122 14.821 -34.787 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.115 15.864 -32.126 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.522 15.995 -31.589 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.101 17.018 -32.983 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.913 15.456 -33.239 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.254 13.930 -31.129 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.606 13.301 -32.756 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.921 13.435 -32.199 1.00 0.00 H new ATOM 973 N ALA A 64 0.625 15.702 -36.480 1.00 0.00 N ATOM 974 CA ALA A 64 0.890 15.821 -37.911 1.00 0.00 C ATOM 975 C ALA A 64 2.027 14.899 -38.341 1.00 0.00 C ATOM 976 O ALA A 64 1.950 14.240 -39.382 1.00 0.00 O ATOM 977 CB ALA A 64 1.215 17.265 -38.265 1.00 0.00 C ATOM 0 H ALA A 64 0.750 16.568 -35.957 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.008 15.517 -38.449 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.411 17.342 -39.334 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.370 17.903 -38.004 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.097 17.586 -37.711 1.00 0.00 H new ATOM 983 N GLU A 65 3.065 14.839 -37.521 1.00 0.00 N ATOM 984 CA GLU A 65 4.239 14.034 -37.825 1.00 0.00 C ATOM 985 C GLU A 65 3.882 12.549 -37.808 1.00 0.00 C ATOM 986 O GLU A 65 4.249 11.798 -38.714 1.00 0.00 O ATOM 987 CB GLU A 65 5.344 14.325 -36.809 1.00 0.00 C ATOM 988 CG GLU A 65 6.740 14.015 -37.319 1.00 0.00 C ATOM 989 CD GLU A 65 7.107 14.851 -38.525 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.343 16.067 -38.366 1.00 0.00 O ATOM 991 OE2 GLU A 65 7.147 14.303 -39.644 1.00 0.00 O ATOM 0 H GLU A 65 3.118 15.341 -36.635 1.00 0.00 H new ATOM 0 HA GLU A 65 4.597 14.292 -38.822 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.296 15.376 -36.524 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.159 13.742 -35.907 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.463 14.192 -36.523 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.804 12.958 -37.579 1.00 0.00 H new ATOM 998 N TYR A 66 3.152 12.143 -36.777 1.00 0.00 N ATOM 999 CA TYR A 66 2.725 10.759 -36.635 1.00 0.00 C ATOM 1000 C TYR A 66 1.719 10.382 -37.716 1.00 0.00 C ATOM 1001 O TYR A 66 1.713 9.250 -38.192 1.00 0.00 O ATOM 1002 CB TYR A 66 2.116 10.523 -35.252 1.00 0.00 C ATOM 1003 CG TYR A 66 1.563 9.128 -35.073 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.412 8.038 -34.928 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.192 8.898 -35.068 1.00 0.00 C ATOM 1006 CE1 TYR A 66 1.910 6.760 -34.776 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.316 7.623 -34.918 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.546 6.559 -34.774 1.00 0.00 C ATOM 1009 OH TYR A 66 0.042 5.290 -34.627 1.00 0.00 O ATOM 0 H TYR A 66 2.842 12.757 -36.024 1.00 0.00 H new ATOM 0 HA TYR A 66 3.606 10.127 -36.747 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.876 10.706 -34.492 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.318 11.247 -35.085 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.481 8.192 -34.934 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.487 9.730 -35.183 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.582 5.923 -34.659 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.384 7.461 -34.914 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.064 5.089 -33.674 1.00 0.00 H new ATOM 1019 N TYR A 67 0.866 11.332 -38.088 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.128 11.118 -39.135 1.00 0.00 C ATOM 1021 C TYR A 67 0.540 10.618 -40.408 1.00 0.00 C ATOM 1022 O TYR A 67 0.034 9.715 -41.076 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.876 12.418 -39.431 1.00 0.00 C ATOM 1024 CG TYR A 67 -2.378 12.319 -39.297 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -3.012 12.581 -38.088 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -3.165 11.978 -40.386 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -4.389 12.500 -37.971 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -4.538 11.895 -40.275 1.00 0.00 C ATOM 1029 CZ TYR A 67 -5.146 12.157 -39.069 1.00 0.00 C ATOM 1030 OH TYR A 67 -6.517 12.076 -38.965 1.00 0.00 O ATOM 0 H TYR A 67 0.844 12.265 -37.676 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.836 10.367 -38.784 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.514 13.193 -38.756 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.634 12.739 -40.444 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.421 12.852 -37.226 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.696 11.774 -41.337 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.867 12.705 -37.024 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.135 11.625 -41.134 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.897 11.823 -39.833 1.00 0.00 H new ATOM 1040 N GLU A 68 1.687 11.202 -40.727 1.00 0.00 N ATOM 1041 CA GLU A 68 2.434 10.809 -41.910 1.00 0.00 C ATOM 1042 C GLU A 68 3.042 9.421 -41.739 1.00 0.00 C ATOM 1043 O GLU A 68 3.072 8.625 -42.678 1.00 0.00 O ATOM 1044 CB GLU A 68 3.532 11.825 -42.202 1.00 0.00 C ATOM 1045 CG GLU A 68 3.001 13.205 -42.548 1.00 0.00 C ATOM 1046 CD GLU A 68 2.054 13.182 -43.728 1.00 0.00 C ATOM 1047 OE1 GLU A 68 2.529 13.225 -44.880 1.00 0.00 O ATOM 1048 OE2 GLU A 68 0.827 13.119 -43.511 1.00 0.00 O ATOM 0 H GLU A 68 2.119 11.949 -40.183 1.00 0.00 H new ATOM 0 HA GLU A 68 1.741 10.778 -42.751 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.185 11.903 -41.333 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.143 11.461 -43.028 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.487 13.621 -41.682 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.838 13.867 -42.770 1.00 0.00 H new ATOM 1055 N GLU A 69 3.524 9.133 -40.537 1.00 0.00 N ATOM 1056 CA GLU A 69 4.144 7.845 -40.248 1.00 0.00 C ATOM 1057 C GLU A 69 3.113 6.726 -40.234 1.00 0.00 C ATOM 1058 O GLU A 69 3.323 5.675 -40.832 1.00 0.00 O ATOM 1059 CB GLU A 69 4.879 7.892 -38.912 1.00 0.00 C ATOM 1060 CG GLU A 69 6.110 8.770 -38.939 1.00 0.00 C ATOM 1061 CD GLU A 69 6.957 8.607 -37.703 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.782 7.670 -37.672 1.00 0.00 O ATOM 1063 OE2 GLU A 69 6.813 9.414 -36.767 1.00 0.00 O ATOM 0 H GLU A 69 3.498 9.775 -39.745 1.00 0.00 H new ATOM 0 HA GLU A 69 4.862 7.639 -41.042 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.198 8.256 -38.143 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.169 6.880 -38.628 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.706 8.529 -39.819 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.808 9.813 -39.034 1.00 0.00 H new ATOM 1070 N ALA A 70 1.993 6.968 -39.567 1.00 0.00 N ATOM 1071 CA ALA A 70 0.930 5.975 -39.462 1.00 0.00 C ATOM 1072 C ALA A 70 0.267 5.733 -40.812 1.00 0.00 C ATOM 1073 O ALA A 70 -0.447 4.746 -41.000 1.00 0.00 O ATOM 1074 CB ALA A 70 -0.101 6.413 -38.434 1.00 0.00 C ATOM 0 H ALA A 70 1.796 7.847 -39.088 1.00 0.00 H new ATOM 0 HA ALA A 70 1.376 5.036 -39.135 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.889 5.663 -38.366 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.379 6.524 -37.462 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.534 7.367 -38.736 1.00 0.00 H new ATOM 1080 N GLY A 71 0.511 6.642 -41.746 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.037 6.503 -43.075 1.00 0.00 C ATOM 1082 C GLY A 71 -1.526 6.747 -43.090 1.00 0.00 C ATOM 1083 O GLY A 71 -2.299 5.907 -43.554 1.00 0.00 O ATOM 0 H GLY A 71 1.081 7.475 -41.603 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.454 7.206 -43.747 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.172 5.502 -43.453 1.00 0.00 H new