USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 11 MET CE :methyl -179:sc= -1.36 (180deg=-0.776) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= -0.671 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= -0.729 USER MOD Set 2.2: A 101 ASN : amide:sc= -2.86 K(o=-3.6,f=-13!) USER MOD Set 3.1: A 10 SER OG : rot -150:sc= 0 USER MOD Set 3.2: A 71 ASN : amide:sc= -1.04 K(o=-1,f=-5.3!) USER MOD Set 4.1: A 6 MET CE :methyl 176:sc= -0.132 (180deg=0) USER MOD Set 4.2: A 20 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 2 THR OG1 : rot 1:sc= 0.814 USER MOD Single : A 4 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 7 TYR OH : rot -178:sc= 0.0697 USER MOD Single : A 8 ASN : amide:sc= 0.018 X(o=0.018,f=-0.0029) USER MOD Single : A 14 SER OG : rot -179:sc= -0.0471 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -57:sc= 1.08 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0683 X(o=-0.068,f=-0.28) USER MOD Single : A 45 MET CE :methyl 131:sc= 0 (180deg=-0.88) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0369) USER MOD Single : A 77 MET CE :methyl -123:sc= -0.283 (180deg=-2.26) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0661 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.63) USER MOD Single : A 95 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 98 LYS NZ :NH3+ 156:sc= -0.0755 (180deg=-0.431) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -155:sc= -0.532 (180deg=-1.74) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 -0.482 1.392 -1.899 1.00 0.00 N ATOM 19 CA THR A 2 -1.360 1.696 -3.022 1.00 0.00 C ATOM 20 C THR A 2 -0.962 3.007 -3.691 1.00 0.00 C ATOM 21 O THR A 2 -0.760 4.021 -3.022 1.00 0.00 O ATOM 22 CB THR A 2 -2.832 1.786 -2.577 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.951 1.410 -1.200 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.711 0.886 -3.432 1.00 0.00 C ATOM 0 HA THR A 2 -1.254 0.879 -3.736 1.00 0.00 H new ATOM 0 HB THR A 2 -3.165 2.816 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.064 1.197 -0.841 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.746 0.966 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.640 1.193 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.377 -0.147 -3.335 1.00 0.00 H new ATOM 32 N LEU A 3 -0.851 2.980 -5.015 1.00 0.00 N ATOM 33 CA LEU A 3 -0.478 4.167 -5.776 1.00 0.00 C ATOM 34 C LEU A 3 -1.645 4.659 -6.625 1.00 0.00 C ATOM 35 O LEU A 3 -1.999 4.040 -7.629 1.00 0.00 O ATOM 36 CB LEU A 3 0.727 3.867 -6.669 1.00 0.00 C ATOM 37 CG LEU A 3 2.102 4.113 -6.047 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.264 5.578 -5.673 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.303 3.225 -4.828 1.00 0.00 C ATOM 0 H LEU A 3 -1.014 2.149 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.211 4.952 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.673 2.824 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.645 4.473 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 3 2.863 3.861 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.248 5.734 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.165 6.195 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.495 5.857 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.287 3.414 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.535 3.446 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.231 2.179 -5.124 1.00 0.00 H new ATOM 51 N CYS A 4 -2.238 5.776 -6.217 1.00 0.00 N ATOM 52 CA CYS A 4 -3.365 6.352 -6.942 1.00 0.00 C ATOM 53 C CYS A 4 -3.031 7.753 -7.442 1.00 0.00 C ATOM 54 O CYS A 4 -2.322 8.508 -6.776 1.00 0.00 O ATOM 55 CB CYS A 4 -4.603 6.398 -6.046 1.00 0.00 C ATOM 56 SG CYS A 4 -6.143 5.971 -6.892 1.00 0.00 S ATOM 0 H CYS A 4 -1.957 6.300 -5.388 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.573 5.719 -7.805 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.459 5.714 -5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.697 7.399 -5.626 1.00 0.00 H new ATOM 0 HG CYS A 4 -7.132 6.036 -6.051 1.00 0.00 H new ATOM 62 N ALA A 5 -3.544 8.094 -8.619 1.00 0.00 N ATOM 63 CA ALA A 5 -3.301 9.405 -9.208 1.00 0.00 C ATOM 64 C ALA A 5 -4.558 10.268 -9.166 1.00 0.00 C ATOM 65 O ALA A 5 -5.672 9.765 -9.310 1.00 0.00 O ATOM 66 CB ALA A 5 -2.808 9.257 -10.640 1.00 0.00 C ATOM 0 H ALA A 5 -4.131 7.480 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.530 9.903 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.631 10.244 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.880 8.686 -10.648 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.560 8.735 -11.232 1.00 0.00 H new ATOM 72 N MET A 6 -4.370 11.569 -8.968 1.00 0.00 N ATOM 73 CA MET A 6 -5.490 12.501 -8.907 1.00 0.00 C ATOM 74 C MET A 6 -5.751 13.126 -10.274 1.00 0.00 C ATOM 75 O MET A 6 -4.835 13.637 -10.919 1.00 0.00 O ATOM 76 CB MET A 6 -5.214 13.597 -7.876 1.00 0.00 C ATOM 77 CG MET A 6 -5.117 13.080 -6.450 1.00 0.00 C ATOM 78 SD MET A 6 -6.697 13.134 -5.583 1.00 0.00 S ATOM 79 CE MET A 6 -6.597 11.637 -4.604 1.00 0.00 C ATOM 0 H MET A 6 -3.454 12.001 -8.847 1.00 0.00 H new ATOM 0 HA MET A 6 -6.378 11.945 -8.606 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.283 14.102 -8.135 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.007 14.343 -7.930 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.749 12.054 -6.464 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.385 13.673 -5.901 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.472 11.566 -3.958 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.563 10.771 -5.265 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.695 11.662 -3.992 1.00 0.00 H new ATOM 89 N TYR A 7 -7.005 13.082 -10.710 1.00 0.00 N ATOM 90 CA TYR A 7 -7.386 13.642 -12.001 1.00 0.00 C ATOM 91 C TYR A 7 -8.488 14.685 -11.840 1.00 0.00 C ATOM 92 O TYR A 7 -9.643 14.348 -11.587 1.00 0.00 O ATOM 93 CB TYR A 7 -7.853 12.532 -12.944 1.00 0.00 C ATOM 94 CG TYR A 7 -7.590 12.827 -14.404 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.367 13.747 -15.097 1.00 0.00 C ATOM 96 CD2 TYR A 7 -6.566 12.185 -15.090 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.132 14.019 -16.431 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.323 12.453 -16.423 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.108 13.370 -17.089 1.00 0.00 C ATOM 100 OH TYR A 7 -6.869 13.638 -18.418 1.00 0.00 O ATOM 0 H TYR A 7 -7.775 12.664 -10.188 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.510 14.129 -12.429 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.352 11.603 -12.674 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.922 12.371 -12.801 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.168 14.258 -14.584 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.950 11.465 -14.572 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.747 14.736 -16.956 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.522 11.947 -16.941 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.134 13.075 -18.738 1.00 0.00 H new ATOM 110 N ASN A 8 -8.119 15.953 -11.989 1.00 0.00 N ATOM 111 CA ASN A 8 -9.076 17.047 -11.860 1.00 0.00 C ATOM 112 C ASN A 8 -9.630 17.448 -13.224 1.00 0.00 C ATOM 113 O ASN A 8 -8.998 18.202 -13.964 1.00 0.00 O ATOM 114 CB ASN A 8 -8.415 18.253 -11.190 1.00 0.00 C ATOM 115 CG ASN A 8 -7.707 17.883 -9.901 1.00 0.00 C ATOM 116 OD1 ASN A 8 -8.333 17.771 -8.846 1.00 0.00 O ATOM 117 ND2 ASN A 8 -6.396 17.691 -9.980 1.00 0.00 N ATOM 0 H ASN A 8 -7.166 16.249 -12.199 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.903 16.703 -11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.699 18.700 -11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.172 19.009 -10.981 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.866 17.440 -9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.918 17.795 -10.875 1.00 0.00 H new ATOM 124 N ILE A 9 -10.814 16.940 -13.548 1.00 0.00 N ATOM 125 CA ILE A 9 -11.454 17.248 -14.821 1.00 0.00 C ATOM 126 C ILE A 9 -12.610 18.224 -14.634 1.00 0.00 C ATOM 127 O ILE A 9 -13.486 18.011 -13.795 1.00 0.00 O ATOM 128 CB ILE A 9 -11.979 15.974 -15.509 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.575 16.315 -16.876 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.012 15.285 -14.631 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.103 15.111 -17.623 1.00 0.00 C ATOM 0 H ILE A 9 -11.349 16.314 -12.947 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.694 17.707 -15.453 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.144 15.289 -15.659 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.384 17.032 -16.741 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.813 16.804 -17.483 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.373 14.386 -15.131 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.557 15.012 -13.679 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.848 15.962 -14.453 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.510 15.428 -18.583 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.292 14.402 -17.789 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.888 14.634 -17.036 1.00 0.00 H new ATOM 143 N SER A 10 -12.607 19.294 -15.422 1.00 0.00 N ATOM 144 CA SER A 10 -13.655 20.305 -15.342 1.00 0.00 C ATOM 145 C SER A 10 -14.149 20.687 -16.734 1.00 0.00 C ATOM 146 O SER A 10 -13.395 21.218 -17.548 1.00 0.00 O ATOM 147 CB SER A 10 -13.139 21.548 -14.613 1.00 0.00 C ATOM 148 OG SER A 10 -11.726 21.631 -14.685 1.00 0.00 O ATOM 0 H SER A 10 -11.891 19.483 -16.123 1.00 0.00 H new ATOM 0 HA SER A 10 -14.490 19.884 -14.782 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.582 22.442 -15.053 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.452 21.518 -13.569 1.00 0.00 H new ATOM 0 HG SER A 10 -11.384 22.086 -13.887 1.00 0.00 H new ATOM 154 N MET A 11 -15.422 20.411 -16.998 1.00 0.00 N ATOM 155 CA MET A 11 -16.019 20.725 -18.291 1.00 0.00 C ATOM 156 C MET A 11 -16.305 22.219 -18.409 1.00 0.00 C ATOM 157 O MET A 11 -16.250 22.951 -17.421 1.00 0.00 O ATOM 158 CB MET A 11 -17.311 19.930 -18.488 1.00 0.00 C ATOM 159 CG MET A 11 -17.663 19.694 -19.948 1.00 0.00 C ATOM 160 SD MET A 11 -18.846 18.351 -20.168 1.00 0.00 S ATOM 161 CE MET A 11 -20.323 19.268 -20.601 1.00 0.00 C ATOM 0 H MET A 11 -16.060 19.971 -16.334 1.00 0.00 H new ATOM 0 HA MET A 11 -15.308 20.446 -19.068 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.216 18.967 -17.986 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.132 20.461 -18.006 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.076 20.610 -20.371 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.754 19.467 -20.505 1.00 0.00 H new ATOM 0 HE1 MET A 11 -21.151 18.575 -20.751 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.571 19.960 -19.796 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.147 19.828 -21.520 1.00 0.00 H new ATOM 171 N ALA A 12 -16.610 22.665 -19.623 1.00 0.00 N ATOM 172 CA ALA A 12 -16.906 24.071 -19.869 1.00 0.00 C ATOM 173 C ALA A 12 -17.970 24.584 -18.904 1.00 0.00 C ATOM 174 O ALA A 12 -19.089 24.074 -18.870 1.00 0.00 O ATOM 175 CB ALA A 12 -17.355 24.272 -21.309 1.00 0.00 C ATOM 0 H ALA A 12 -16.659 22.073 -20.452 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.994 24.644 -19.702 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.573 25.327 -21.478 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.562 23.952 -21.985 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.252 23.682 -21.496 1.00 0.00 H new ATOM 181 N GLY A 13 -17.612 25.597 -18.121 1.00 0.00 N ATOM 182 CA GLY A 13 -18.547 26.162 -17.165 1.00 0.00 C ATOM 183 C GLY A 13 -18.955 25.168 -16.096 1.00 0.00 C ATOM 184 O GLY A 13 -20.144 24.937 -15.875 1.00 0.00 O ATOM 0 H GLY A 13 -16.692 26.037 -18.131 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.096 27.034 -16.692 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.436 26.509 -17.692 1.00 0.00 H new ATOM 188 N SER A 14 -17.967 24.576 -15.432 1.00 0.00 N ATOM 189 CA SER A 14 -18.229 23.597 -14.384 1.00 0.00 C ATOM 190 C SER A 14 -17.132 23.629 -13.324 1.00 0.00 C ATOM 191 O SER A 14 -16.144 24.351 -13.459 1.00 0.00 O ATOM 192 CB SER A 14 -18.335 22.193 -14.983 1.00 0.00 C ATOM 193 OG SER A 14 -19.292 22.155 -16.028 1.00 0.00 O ATOM 0 H SER A 14 -16.978 24.758 -15.602 1.00 0.00 H new ATOM 0 HA SER A 14 -19.176 23.854 -13.909 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.362 21.883 -15.365 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.613 21.482 -14.205 1.00 0.00 H new ATOM 0 HG SER A 14 -19.351 21.244 -16.384 1.00 0.00 H new ATOM 199 N HIS A 15 -17.315 22.841 -12.269 1.00 0.00 N ATOM 200 CA HIS A 15 -16.341 22.777 -11.185 1.00 0.00 C ATOM 201 C HIS A 15 -15.334 21.656 -11.424 1.00 0.00 C ATOM 202 O HIS A 15 -15.571 20.731 -12.202 1.00 0.00 O ATOM 203 CB HIS A 15 -17.049 22.566 -9.847 1.00 0.00 C ATOM 204 CG HIS A 15 -17.442 23.842 -9.169 1.00 0.00 C ATOM 205 ND1 HIS A 15 -17.257 24.066 -7.821 1.00 0.00 N ATOM 206 CD2 HIS A 15 -18.010 24.967 -9.661 1.00 0.00 C ATOM 207 CE1 HIS A 15 -17.697 25.273 -7.513 1.00 0.00 C ATOM 208 NE2 HIS A 15 -18.159 25.841 -8.612 1.00 0.00 N ATOM 0 H HIS A 15 -18.128 22.238 -12.142 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.803 23.724 -11.157 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -17.941 21.961 -10.009 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -16.395 21.999 -9.185 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -18.294 25.145 -10.688 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.681 25.719 -6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.561 26.776 -8.672 1.00 0.00 H new ATOM 216 N PRO A 16 -14.182 21.738 -10.742 1.00 0.00 N ATOM 217 CA PRO A 16 -13.117 20.739 -10.864 1.00 0.00 C ATOM 218 C PRO A 16 -13.503 19.401 -10.242 1.00 0.00 C ATOM 219 O PRO A 16 -13.575 19.269 -9.020 1.00 0.00 O ATOM 220 CB PRO A 16 -11.951 21.368 -10.096 1.00 0.00 C ATOM 221 CG PRO A 16 -12.594 22.292 -9.121 1.00 0.00 C ATOM 222 CD PRO A 16 -13.832 22.813 -9.798 1.00 0.00 C ATOM 0 HA PRO A 16 -12.888 20.513 -11.905 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.356 20.609 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.279 21.905 -10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.845 21.771 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.922 23.108 -8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.634 22.997 -9.083 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.642 23.755 -10.313 1.00 0.00 H new ATOM 230 N THR A 17 -13.751 18.408 -11.092 1.00 0.00 N ATOM 231 CA THR A 17 -14.130 17.080 -10.626 1.00 0.00 C ATOM 232 C THR A 17 -12.903 16.258 -10.251 1.00 0.00 C ATOM 233 O THR A 17 -12.060 15.958 -11.097 1.00 0.00 O ATOM 234 CB THR A 17 -14.937 16.320 -11.695 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.146 17.027 -11.992 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.269 14.912 -11.223 1.00 0.00 C ATOM 0 H THR A 17 -13.696 18.499 -12.106 1.00 0.00 H new ATOM 0 HA THR A 17 -14.753 17.220 -9.743 1.00 0.00 H new ATOM 0 HB THR A 17 -14.328 16.250 -12.596 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.652 16.538 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.839 14.395 -11.995 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.346 14.367 -11.027 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.860 14.965 -10.309 1.00 0.00 H new ATOM 244 N THR A 18 -12.808 15.893 -8.976 1.00 0.00 N ATOM 245 CA THR A 18 -11.683 15.105 -8.488 1.00 0.00 C ATOM 246 C THR A 18 -11.905 13.617 -8.739 1.00 0.00 C ATOM 247 O THR A 18 -12.718 12.980 -8.070 1.00 0.00 O ATOM 248 CB THR A 18 -11.450 15.330 -6.983 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.900 16.637 -6.608 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.977 15.177 -6.635 1.00 0.00 C ATOM 0 H THR A 18 -13.497 16.131 -8.263 1.00 0.00 H new ATOM 0 HA THR A 18 -10.802 15.437 -9.038 1.00 0.00 H new ATOM 0 HB THR A 18 -12.017 14.579 -6.433 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.750 16.772 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.837 15.340 -5.566 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.644 14.172 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.393 15.909 -7.194 1.00 0.00 H new ATOM 258 N ILE A 19 -11.176 13.070 -9.707 1.00 0.00 N ATOM 259 CA ILE A 19 -11.292 11.657 -10.044 1.00 0.00 C ATOM 260 C ILE A 19 -10.025 10.897 -9.670 1.00 0.00 C ATOM 261 O ILE A 19 -8.960 11.122 -10.248 1.00 0.00 O ATOM 262 CB ILE A 19 -11.574 11.458 -11.545 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.681 12.406 -12.009 1.00 0.00 C ATOM 264 CG2 ILE A 19 -11.955 10.012 -11.825 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.009 12.279 -13.480 1.00 0.00 C ATOM 0 H ILE A 19 -10.499 13.584 -10.271 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.131 11.263 -9.470 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.667 11.689 -12.104 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.582 12.212 -11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.380 13.433 -11.800 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.151 9.887 -12.890 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.137 9.356 -11.527 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.850 9.755 -11.259 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.802 12.981 -13.738 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.121 12.502 -14.071 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.341 11.263 -13.692 1.00 0.00 H new ATOM 277 N CYS A 20 -10.146 9.994 -8.703 1.00 0.00 N ATOM 278 CA CYS A 20 -9.010 9.199 -8.252 1.00 0.00 C ATOM 279 C CYS A 20 -8.905 7.901 -9.047 1.00 0.00 C ATOM 280 O CYS A 20 -9.804 7.060 -9.004 1.00 0.00 O ATOM 281 CB CYS A 20 -9.137 8.889 -6.760 1.00 0.00 C ATOM 282 SG CYS A 20 -9.523 10.329 -5.737 1.00 0.00 S ATOM 0 H CYS A 20 -11.020 9.794 -8.216 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.103 9.780 -8.418 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.915 8.139 -6.621 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.203 8.448 -6.411 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.612 9.966 -4.492 1.00 0.00 H new ATOM 288 N VAL A 21 -7.803 7.745 -9.774 1.00 0.00 N ATOM 289 CA VAL A 21 -7.582 6.550 -10.579 1.00 0.00 C ATOM 290 C VAL A 21 -6.217 5.936 -10.287 1.00 0.00 C ATOM 291 O VAL A 21 -5.201 6.631 -10.276 1.00 0.00 O ATOM 292 CB VAL A 21 -7.680 6.862 -12.085 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.658 5.577 -12.898 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.936 7.668 -12.380 1.00 0.00 C ATOM 0 H VAL A 21 -7.050 8.431 -9.822 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.363 5.838 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.816 7.460 -12.373 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.728 5.817 -13.959 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.728 5.042 -12.707 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.502 4.950 -12.611 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.990 7.880 -13.448 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.814 7.097 -12.079 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.905 8.606 -11.825 1.00 0.00 H new ATOM 304 N VAL A 22 -6.201 4.628 -10.051 1.00 0.00 N ATOM 305 CA VAL A 22 -4.961 3.919 -9.760 1.00 0.00 C ATOM 306 C VAL A 22 -3.953 4.088 -10.891 1.00 0.00 C ATOM 307 O VAL A 22 -4.327 4.201 -12.058 1.00 0.00 O ATOM 308 CB VAL A 22 -5.214 2.416 -9.533 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.976 2.193 -8.236 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.966 1.819 -10.713 1.00 0.00 C ATOM 0 H VAL A 22 -7.033 4.038 -10.056 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.554 4.354 -8.847 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.252 1.911 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.146 1.126 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.395 2.584 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.935 2.709 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.136 0.757 -10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.924 2.326 -10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.377 1.946 -11.621 1.00 0.00 H new ATOM 320 N MET A 23 -2.672 4.104 -10.537 1.00 0.00 N ATOM 321 CA MET A 23 -1.609 4.257 -11.523 1.00 0.00 C ATOM 322 C MET A 23 -1.702 3.177 -12.596 1.00 0.00 C ATOM 323 O MET A 23 -1.266 3.376 -13.730 1.00 0.00 O ATOM 324 CB MET A 23 -0.240 4.200 -10.842 1.00 0.00 C ATOM 325 CG MET A 23 0.917 4.521 -11.774 1.00 0.00 C ATOM 326 SD MET A 23 2.404 3.578 -11.386 1.00 0.00 S ATOM 327 CE MET A 23 2.381 2.355 -12.695 1.00 0.00 C ATOM 0 H MET A 23 -2.345 4.013 -9.575 1.00 0.00 H new ATOM 0 HA MET A 23 -1.729 5.229 -12.001 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.229 4.901 -10.008 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.093 3.204 -10.423 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.618 4.315 -12.802 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.141 5.586 -11.715 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.242 1.695 -12.591 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.464 1.769 -12.630 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.423 2.856 -13.662 1.00 0.00 H new ATOM 337 N ASP A 24 -2.272 2.034 -12.230 1.00 0.00 N ATOM 338 CA ASP A 24 -2.422 0.922 -13.161 1.00 0.00 C ATOM 339 C ASP A 24 -3.543 1.197 -14.159 1.00 0.00 C ATOM 340 O ASP A 24 -3.556 0.647 -15.260 1.00 0.00 O ATOM 341 CB ASP A 24 -2.707 -0.374 -12.400 1.00 0.00 C ATOM 342 CG ASP A 24 -1.487 -0.892 -11.663 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.476 -1.196 -12.330 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.544 -0.993 -10.420 1.00 0.00 O ATOM 0 H ASP A 24 -2.638 1.853 -11.295 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.488 0.813 -13.711 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.514 -0.204 -11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.055 -1.134 -13.100 1.00 0.00 H new ATOM 349 N ARG A 25 -4.482 2.051 -13.765 1.00 0.00 N ATOM 350 CA ARG A 25 -5.608 2.398 -14.624 1.00 0.00 C ATOM 351 C ARG A 25 -5.545 3.865 -15.038 1.00 0.00 C ATOM 352 O ARG A 25 -6.510 4.412 -15.572 1.00 0.00 O ATOM 353 CB ARG A 25 -6.930 2.115 -13.907 1.00 0.00 C ATOM 354 CG ARG A 25 -8.101 1.899 -14.852 1.00 0.00 C ATOM 355 CD ARG A 25 -8.187 0.451 -15.310 1.00 0.00 C ATOM 356 NE ARG A 25 -8.408 -0.464 -14.193 1.00 0.00 N ATOM 357 CZ ARG A 25 -9.595 -0.663 -13.630 1.00 0.00 C ATOM 358 NH1 ARG A 25 -10.662 -0.015 -14.077 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.716 -1.512 -12.618 1.00 0.00 N ATOM 0 H ARG A 25 -4.485 2.515 -12.857 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.550 1.783 -15.522 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.812 1.231 -13.280 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.159 2.948 -13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.029 2.180 -14.354 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.995 2.551 -15.719 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.998 0.346 -16.030 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.266 0.178 -15.825 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.608 -0.978 -13.825 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.573 0.638 -14.855 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.572 -0.170 -13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.898 -2.013 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.627 -1.664 -12.186 1.00 0.00 H new ATOM 373 N PHE A 26 -4.403 4.496 -14.788 1.00 0.00 N ATOM 374 CA PHE A 26 -4.214 5.900 -15.133 1.00 0.00 C ATOM 375 C PHE A 26 -4.183 6.089 -16.647 1.00 0.00 C ATOM 376 O PHE A 26 -4.966 6.860 -17.204 1.00 0.00 O ATOM 377 CB PHE A 26 -2.918 6.430 -14.516 1.00 0.00 C ATOM 378 CG PHE A 26 -2.583 7.832 -14.935 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.856 8.069 -16.091 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.994 8.914 -14.174 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.546 9.358 -16.481 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.688 10.206 -14.559 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.962 10.428 -15.713 1.00 0.00 C ATOM 0 H PHE A 26 -3.594 4.057 -14.348 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.056 6.463 -14.731 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.001 6.394 -13.430 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.096 5.770 -14.795 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.528 7.236 -16.695 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.560 8.746 -13.270 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.980 9.528 -17.385 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.016 11.041 -13.958 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.720 11.437 -16.014 1.00 0.00 H new ATOM 393 N LEU A 27 -3.274 5.381 -17.307 1.00 0.00 N ATOM 394 CA LEU A 27 -3.139 5.470 -18.757 1.00 0.00 C ATOM 395 C LEU A 27 -4.456 5.130 -19.448 1.00 0.00 C ATOM 396 O LEU A 27 -4.880 5.825 -20.371 1.00 0.00 O ATOM 397 CB LEU A 27 -2.037 4.528 -19.245 1.00 0.00 C ATOM 398 CG LEU A 27 -1.735 4.569 -20.744 1.00 0.00 C ATOM 399 CD1 LEU A 27 -1.608 6.006 -21.224 1.00 0.00 C ATOM 400 CD2 LEU A 27 -0.466 3.787 -21.053 1.00 0.00 C ATOM 0 H LEU A 27 -2.619 4.739 -16.861 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.871 6.496 -19.010 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.120 4.762 -18.703 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.314 3.508 -18.978 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.564 4.103 -21.276 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.393 6.015 -22.293 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.542 6.536 -21.037 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.798 6.499 -20.687 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.266 3.826 -22.124 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.372 4.225 -20.511 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.594 2.749 -20.746 1.00 0.00 H new ATOM 412 N GLU A 28 -5.099 4.060 -18.992 1.00 0.00 N ATOM 413 CA GLU A 28 -6.369 3.631 -19.566 1.00 0.00 C ATOM 414 C GLU A 28 -7.434 4.711 -19.402 1.00 0.00 C ATOM 415 O GLU A 28 -8.123 5.069 -20.357 1.00 0.00 O ATOM 416 CB GLU A 28 -6.839 2.332 -18.907 1.00 0.00 C ATOM 417 CG GLU A 28 -5.749 1.280 -18.789 1.00 0.00 C ATOM 418 CD GLU A 28 -6.272 -0.128 -18.999 1.00 0.00 C ATOM 419 OE1 GLU A 28 -7.081 -0.327 -19.929 1.00 0.00 O ATOM 420 OE2 GLU A 28 -5.873 -1.029 -18.232 1.00 0.00 O ATOM 0 H GLU A 28 -4.762 3.475 -18.228 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.216 3.456 -20.631 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.224 2.558 -17.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.668 1.921 -19.484 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.969 1.487 -19.522 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.288 1.349 -17.804 1.00 0.00 H new ATOM 427 N SER A 29 -7.562 5.227 -18.183 1.00 0.00 N ATOM 428 CA SER A 29 -8.545 6.263 -17.891 1.00 0.00 C ATOM 429 C SER A 29 -8.377 7.453 -18.832 1.00 0.00 C ATOM 430 O SER A 29 -9.350 7.965 -19.385 1.00 0.00 O ATOM 431 CB SER A 29 -8.415 6.725 -16.439 1.00 0.00 C ATOM 432 OG SER A 29 -7.289 7.569 -16.271 1.00 0.00 O ATOM 0 H SER A 29 -6.997 4.944 -17.382 1.00 0.00 H new ATOM 0 HA SER A 29 -9.538 5.839 -18.042 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.319 7.256 -16.141 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.324 5.858 -15.785 1.00 0.00 H new ATOM 0 HG SER A 29 -6.481 7.098 -16.563 1.00 0.00 H new ATOM 438 N PHE A 30 -7.133 7.887 -19.009 1.00 0.00 N ATOM 439 CA PHE A 30 -6.835 9.017 -19.882 1.00 0.00 C ATOM 440 C PHE A 30 -7.197 8.696 -21.329 1.00 0.00 C ATOM 441 O PHE A 30 -7.766 9.527 -22.037 1.00 0.00 O ATOM 442 CB PHE A 30 -5.353 9.386 -19.785 1.00 0.00 C ATOM 443 CG PHE A 30 -5.004 10.656 -20.506 1.00 0.00 C ATOM 444 CD1 PHE A 30 -5.792 11.788 -20.366 1.00 0.00 C ATOM 445 CD2 PHE A 30 -3.888 10.720 -21.324 1.00 0.00 C ATOM 446 CE1 PHE A 30 -5.473 12.957 -21.029 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.563 11.887 -21.990 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.357 13.008 -21.841 1.00 0.00 C ATOM 0 H PHE A 30 -6.316 7.474 -18.560 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.436 9.866 -19.555 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.080 9.487 -18.735 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.756 8.570 -20.193 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.665 11.755 -19.731 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.264 9.847 -21.443 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.096 13.831 -20.912 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.690 11.922 -22.625 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.105 13.922 -22.358 1.00 0.00 H new ATOM 458 N SER A 31 -6.863 7.484 -21.762 1.00 0.00 N ATOM 459 CA SER A 31 -7.149 7.054 -23.126 1.00 0.00 C ATOM 460 C SER A 31 -8.639 7.171 -23.431 1.00 0.00 C ATOM 461 O SER A 31 -9.031 7.744 -24.447 1.00 0.00 O ATOM 462 CB SER A 31 -6.685 5.611 -23.335 1.00 0.00 C ATOM 463 OG SER A 31 -5.307 5.561 -23.663 1.00 0.00 O ATOM 0 H SER A 31 -6.394 6.783 -21.188 1.00 0.00 H new ATOM 0 HA SER A 31 -6.604 7.706 -23.809 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.868 5.032 -22.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.269 5.150 -24.132 1.00 0.00 H new ATOM 0 HG SER A 31 -5.035 4.628 -23.790 1.00 0.00 H new ATOM 469 N GLU A 32 -9.463 6.622 -22.545 1.00 0.00 N ATOM 470 CA GLU A 32 -10.910 6.664 -22.720 1.00 0.00 C ATOM 471 C GLU A 32 -11.444 8.077 -22.507 1.00 0.00 C ATOM 472 O GLU A 32 -12.335 8.532 -23.226 1.00 0.00 O ATOM 473 CB GLU A 32 -11.592 5.698 -21.748 1.00 0.00 C ATOM 474 CG GLU A 32 -13.071 5.495 -22.030 1.00 0.00 C ATOM 475 CD GLU A 32 -13.740 4.590 -21.013 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.185 3.508 -20.727 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.817 4.963 -20.504 1.00 0.00 O ATOM 0 H GLU A 32 -9.154 6.143 -21.699 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.135 6.360 -23.742 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.086 4.733 -21.793 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.473 6.074 -20.732 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.572 6.463 -22.035 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.192 5.068 -23.026 1.00 0.00 H new ATOM 484 N LEU A 33 -10.893 8.768 -21.515 1.00 0.00 N ATOM 485 CA LEU A 33 -11.313 10.131 -21.206 1.00 0.00 C ATOM 486 C LEU A 33 -11.229 11.020 -22.443 1.00 0.00 C ATOM 487 O LEU A 33 -12.117 11.835 -22.694 1.00 0.00 O ATOM 488 CB LEU A 33 -10.446 10.711 -20.087 1.00 0.00 C ATOM 489 CG LEU A 33 -10.741 12.158 -19.692 1.00 0.00 C ATOM 490 CD1 LEU A 33 -11.551 12.207 -18.406 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.446 12.943 -19.539 1.00 0.00 C ATOM 0 H LEU A 33 -10.155 8.407 -20.911 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.351 10.099 -20.874 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.561 10.083 -19.203 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.402 10.644 -20.392 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.330 12.618 -20.485 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.751 13.245 -18.141 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.495 11.681 -18.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.989 11.730 -17.603 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.675 13.971 -19.258 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.831 12.483 -18.765 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.904 12.938 -20.484 1.00 0.00 H new ATOM 503 N TYR A 34 -10.159 10.855 -23.212 1.00 0.00 N ATOM 504 CA TYR A 34 -9.959 11.643 -24.423 1.00 0.00 C ATOM 505 C TYR A 34 -11.004 11.294 -25.478 1.00 0.00 C ATOM 506 O TYR A 34 -11.261 12.074 -26.395 1.00 0.00 O ATOM 507 CB TYR A 34 -8.555 11.409 -24.982 1.00 0.00 C ATOM 508 CG TYR A 34 -8.360 11.961 -26.377 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.290 13.330 -26.600 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.243 11.112 -27.471 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.113 13.839 -27.872 1.00 0.00 C ATOM 512 CE2 TYR A 34 -8.064 11.611 -28.746 1.00 0.00 C ATOM 513 CZ TYR A 34 -8.000 12.975 -28.942 1.00 0.00 C ATOM 514 OH TYR A 34 -7.821 13.478 -30.210 1.00 0.00 O ATOM 0 H TYR A 34 -9.417 10.183 -23.019 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.069 12.696 -24.164 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.826 11.867 -24.314 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.350 10.338 -24.992 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.375 14.009 -25.764 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.293 10.044 -27.321 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.063 14.907 -28.028 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.975 10.937 -29.585 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.759 12.738 -30.850 1.00 0.00 H new ATOM 524 N ASP A 35 -11.605 10.117 -25.340 1.00 0.00 N ATOM 525 CA ASP A 35 -12.624 9.664 -26.280 1.00 0.00 C ATOM 526 C ASP A 35 -13.994 10.221 -25.907 1.00 0.00 C ATOM 527 O ASP A 35 -14.842 10.440 -26.772 1.00 0.00 O ATOM 528 CB ASP A 35 -12.673 8.135 -26.314 1.00 0.00 C ATOM 529 CG ASP A 35 -12.477 7.580 -27.711 1.00 0.00 C ATOM 530 OD1 ASP A 35 -12.910 8.242 -28.677 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.892 6.484 -27.837 1.00 0.00 O ATOM 0 H ASP A 35 -11.404 9.460 -24.586 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.359 10.034 -27.271 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.902 7.735 -25.656 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.633 7.796 -25.923 1.00 0.00 H new ATOM 536 N ILE A 36 -14.202 10.447 -24.614 1.00 0.00 N ATOM 537 CA ILE A 36 -15.469 10.979 -24.127 1.00 0.00 C ATOM 538 C ILE A 36 -15.440 12.503 -24.069 1.00 0.00 C ATOM 539 O ILE A 36 -16.462 13.161 -24.264 1.00 0.00 O ATOM 540 CB ILE A 36 -15.810 10.430 -22.729 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.044 11.138 -22.166 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.624 10.595 -21.791 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.497 10.591 -20.830 1.00 0.00 C ATOM 0 H ILE A 36 -13.510 10.270 -23.886 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.237 10.659 -24.831 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.033 9.367 -22.817 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.826 12.201 -22.060 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.861 11.050 -22.882 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.881 10.202 -20.807 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.768 10.049 -22.187 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.372 11.652 -21.705 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.376 11.140 -20.491 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.747 9.535 -20.935 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.695 10.704 -20.100 1.00 0.00 H new ATOM 555 N ILE A 37 -14.262 13.056 -23.800 1.00 0.00 N ATOM 556 CA ILE A 37 -14.099 14.502 -23.719 1.00 0.00 C ATOM 557 C ILE A 37 -14.450 15.170 -25.044 1.00 0.00 C ATOM 558 O ILE A 37 -14.800 16.350 -25.083 1.00 0.00 O ATOM 559 CB ILE A 37 -12.659 14.886 -23.330 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.601 16.347 -22.881 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.713 14.647 -24.498 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.631 16.519 -21.378 1.00 0.00 C ATOM 0 H ILE A 37 -13.407 12.525 -23.635 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.782 14.853 -22.945 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.343 14.257 -22.498 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.692 16.803 -23.273 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.442 16.886 -23.317 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.699 14.923 -24.208 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.737 13.593 -24.776 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.025 15.253 -25.349 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.587 17.580 -21.132 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.552 16.093 -20.981 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.775 16.008 -20.936 1.00 0.00 H new ATOM 574 N ASP A 38 -14.357 14.407 -26.128 1.00 0.00 N ATOM 575 CA ASP A 38 -14.668 14.924 -27.456 1.00 0.00 C ATOM 576 C ASP A 38 -16.044 15.582 -27.474 1.00 0.00 C ATOM 577 O ASP A 38 -16.287 16.511 -28.244 1.00 0.00 O ATOM 578 CB ASP A 38 -14.613 13.798 -28.490 1.00 0.00 C ATOM 579 CG ASP A 38 -14.355 14.313 -29.892 1.00 0.00 C ATOM 580 OD1 ASP A 38 -15.315 14.788 -30.536 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.194 14.241 -30.346 1.00 0.00 O ATOM 0 H ASP A 38 -14.069 13.429 -26.113 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.922 15.677 -27.710 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.828 13.093 -28.215 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.554 13.249 -28.475 1.00 0.00 H new ATOM 586 N GLU A 39 -16.940 15.093 -26.623 1.00 0.00 N ATOM 587 CA GLU A 39 -18.292 15.633 -26.544 1.00 0.00 C ATOM 588 C GLU A 39 -18.475 16.459 -25.273 1.00 0.00 C ATOM 589 O GLU A 39 -17.686 16.356 -24.335 1.00 0.00 O ATOM 590 CB GLU A 39 -19.321 14.501 -26.582 1.00 0.00 C ATOM 591 CG GLU A 39 -19.039 13.389 -25.586 1.00 0.00 C ATOM 592 CD GLU A 39 -20.145 12.353 -25.539 1.00 0.00 C ATOM 593 OE1 GLU A 39 -21.313 12.720 -25.786 1.00 0.00 O ATOM 594 OE2 GLU A 39 -19.842 11.175 -25.255 1.00 0.00 O ATOM 0 H GLU A 39 -16.754 14.324 -25.979 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.446 16.283 -27.405 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -20.310 14.914 -26.383 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.348 14.079 -27.587 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.100 12.901 -25.848 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.908 13.820 -24.593 1.00 0.00 H new ATOM 601 N ASN A 40 -19.521 17.278 -25.252 1.00 0.00 N ATOM 602 CA ASN A 40 -19.808 18.122 -24.098 1.00 0.00 C ATOM 603 C ASN A 40 -21.032 17.614 -23.343 1.00 0.00 C ATOM 604 O ASN A 40 -21.918 18.389 -22.983 1.00 0.00 O ATOM 605 CB ASN A 40 -20.033 19.569 -24.542 1.00 0.00 C ATOM 606 CG ASN A 40 -20.933 19.667 -25.759 1.00 0.00 C ATOM 607 OD1 ASN A 40 -20.470 19.578 -26.896 1.00 0.00 O ATOM 608 ND2 ASN A 40 -22.227 19.851 -25.524 1.00 0.00 N ATOM 0 H ASN A 40 -20.184 17.375 -26.021 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.949 18.083 -23.428 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.474 20.134 -23.721 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.072 20.031 -24.766 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.881 19.924 -26.303 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -22.566 19.919 -24.565 1.00 0.00 H new ATOM 615 N ASP A 41 -21.073 16.307 -23.105 1.00 0.00 N ATOM 616 CA ASP A 41 -22.187 15.695 -22.391 1.00 0.00 C ATOM 617 C ASP A 41 -21.873 15.564 -20.904 1.00 0.00 C ATOM 618 O ASP A 41 -20.968 14.827 -20.511 1.00 0.00 O ATOM 619 CB ASP A 41 -22.504 14.320 -22.980 1.00 0.00 C ATOM 620 CG ASP A 41 -23.376 14.408 -24.218 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.002 15.141 -25.157 1.00 0.00 O ATOM 622 OD2 ASP A 41 -24.432 13.742 -24.247 1.00 0.00 O ATOM 0 H ASP A 41 -20.348 15.652 -23.396 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.058 16.341 -22.505 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.573 13.812 -23.230 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -23.007 13.713 -22.227 1.00 0.00 H new ATOM 627 N THR A 42 -22.625 16.286 -20.079 1.00 0.00 N ATOM 628 CA THR A 42 -22.426 16.253 -18.636 1.00 0.00 C ATOM 629 C THR A 42 -23.177 15.087 -18.003 1.00 0.00 C ATOM 630 O THR A 42 -22.816 14.616 -16.924 1.00 0.00 O ATOM 631 CB THR A 42 -22.888 17.565 -17.975 1.00 0.00 C ATOM 632 OG1 THR A 42 -22.494 18.684 -18.777 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.300 17.705 -16.579 1.00 0.00 C ATOM 0 H THR A 42 -23.378 16.901 -20.386 1.00 0.00 H new ATOM 0 HA THR A 42 -21.356 16.127 -18.468 1.00 0.00 H new ATOM 0 HB THR A 42 -23.975 17.541 -17.894 1.00 0.00 H new ATOM 0 HG1 THR A 42 -22.793 19.514 -18.350 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.641 18.639 -16.133 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.626 16.868 -15.961 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.212 17.708 -16.641 1.00 0.00 H new ATOM 641 N ASP A 43 -24.221 14.624 -18.682 1.00 0.00 N ATOM 642 CA ASP A 43 -25.022 13.511 -18.187 1.00 0.00 C ATOM 643 C ASP A 43 -24.201 12.225 -18.150 1.00 0.00 C ATOM 644 O ASP A 43 -24.454 11.338 -17.335 1.00 0.00 O ATOM 645 CB ASP A 43 -26.259 13.315 -19.064 1.00 0.00 C ATOM 646 CG ASP A 43 -27.370 14.290 -18.724 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.981 14.139 -17.646 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.628 15.203 -19.537 1.00 0.00 O ATOM 0 H ASP A 43 -24.532 15.002 -19.577 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.340 13.748 -17.172 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.981 13.436 -20.111 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.626 12.295 -18.947 1.00 0.00 H new ATOM 653 N VAL A 44 -23.217 12.132 -19.038 1.00 0.00 N ATOM 654 CA VAL A 44 -22.358 10.955 -19.107 1.00 0.00 C ATOM 655 C VAL A 44 -21.128 11.120 -18.221 1.00 0.00 C ATOM 656 O VAL A 44 -20.513 10.137 -17.808 1.00 0.00 O ATOM 657 CB VAL A 44 -21.903 10.676 -20.552 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.033 11.812 -21.067 1.00 0.00 C ATOM 659 CG2 VAL A 44 -21.164 9.349 -20.630 1.00 0.00 C ATOM 0 H VAL A 44 -22.994 12.857 -19.720 1.00 0.00 H new ATOM 0 HA VAL A 44 -22.948 10.111 -18.751 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.787 10.612 -21.187 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.721 11.597 -22.089 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.601 12.742 -21.049 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -20.152 11.912 -20.433 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -20.850 9.167 -21.658 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -20.288 9.382 -19.983 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -21.825 8.545 -20.305 1.00 0.00 H new ATOM 669 N MET A 45 -20.776 12.368 -17.933 1.00 0.00 N ATOM 670 CA MET A 45 -19.620 12.661 -17.094 1.00 0.00 C ATOM 671 C MET A 45 -19.700 11.903 -15.773 1.00 0.00 C ATOM 672 O MET A 45 -18.758 11.214 -15.384 1.00 0.00 O ATOM 673 CB MET A 45 -19.524 14.165 -16.828 1.00 0.00 C ATOM 674 CG MET A 45 -18.686 14.911 -17.853 1.00 0.00 C ATOM 675 SD MET A 45 -17.890 16.376 -17.166 1.00 0.00 S ATOM 676 CE MET A 45 -16.513 15.635 -16.292 1.00 0.00 C ATOM 0 H MET A 45 -21.274 13.193 -18.268 1.00 0.00 H new ATOM 0 HA MET A 45 -18.726 12.335 -17.625 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.528 14.588 -16.815 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.098 14.324 -15.837 1.00 0.00 H new ATOM 0 HG2 MET A 45 -17.924 14.241 -18.250 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.320 15.205 -18.690 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.593 16.157 -16.554 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.681 15.711 -15.218 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.427 14.585 -16.572 1.00 0.00 H new ATOM 686 N MET A 46 -20.831 12.036 -15.088 1.00 0.00 N ATOM 687 CA MET A 46 -21.034 11.363 -13.810 1.00 0.00 C ATOM 688 C MET A 46 -20.784 9.864 -13.941 1.00 0.00 C ATOM 689 O MET A 46 -20.091 9.267 -13.116 1.00 0.00 O ATOM 690 CB MET A 46 -22.454 11.612 -13.298 1.00 0.00 C ATOM 691 CG MET A 46 -23.534 11.279 -14.314 1.00 0.00 C ATOM 692 SD MET A 46 -25.173 11.815 -13.786 1.00 0.00 S ATOM 693 CE MET A 46 -25.683 10.416 -12.791 1.00 0.00 C ATOM 0 H MET A 46 -21.621 12.603 -15.396 1.00 0.00 H new ATOM 0 HA MET A 46 -20.321 11.772 -13.094 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.617 11.017 -12.399 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.549 12.659 -13.009 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.290 11.752 -15.266 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.546 10.203 -14.486 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.681 10.598 -12.393 1.00 0.00 H new ATOM 0 HE2 MET A 46 -25.696 9.517 -13.407 1.00 0.00 H new ATOM 0 HE3 MET A 46 -24.982 10.281 -11.967 1.00 0.00 H new ATOM 703 N ASP A 47 -21.352 9.262 -14.980 1.00 0.00 N ATOM 704 CA ASP A 47 -21.189 7.832 -15.218 1.00 0.00 C ATOM 705 C ASP A 47 -19.715 7.471 -15.372 1.00 0.00 C ATOM 706 O ASP A 47 -19.260 6.447 -14.863 1.00 0.00 O ATOM 707 CB ASP A 47 -21.964 7.411 -16.467 1.00 0.00 C ATOM 708 CG ASP A 47 -21.802 5.936 -16.779 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.071 5.108 -15.885 1.00 0.00 O ATOM 710 OD2 ASP A 47 -21.404 5.610 -17.918 1.00 0.00 O ATOM 0 H ASP A 47 -21.929 9.741 -15.671 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.586 7.297 -14.356 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.021 7.636 -16.328 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.622 7.999 -17.319 1.00 0.00 H new ATOM 715 N PHE A 48 -18.974 8.319 -16.079 1.00 0.00 N ATOM 716 CA PHE A 48 -17.552 8.088 -16.302 1.00 0.00 C ATOM 717 C PHE A 48 -16.772 8.192 -14.995 1.00 0.00 C ATOM 718 O PHE A 48 -15.973 7.315 -14.665 1.00 0.00 O ATOM 719 CB PHE A 48 -17.004 9.092 -17.318 1.00 0.00 C ATOM 720 CG PHE A 48 -15.504 9.113 -17.391 1.00 0.00 C ATOM 721 CD1 PHE A 48 -14.818 8.134 -18.091 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.781 10.112 -16.761 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.437 8.150 -18.159 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.400 10.134 -16.826 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.728 9.153 -17.527 1.00 0.00 C ATOM 0 H PHE A 48 -19.335 9.172 -16.507 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.431 7.079 -16.697 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.404 8.855 -18.304 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.361 10.089 -17.060 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.368 7.349 -18.589 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.302 10.883 -16.213 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.913 7.379 -18.705 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.848 10.918 -16.329 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.649 9.170 -17.581 1.00 0.00 H new ATOM 735 N ILE A 49 -17.009 9.271 -14.257 1.00 0.00 N ATOM 736 CA ILE A 49 -16.330 9.491 -12.986 1.00 0.00 C ATOM 737 C ILE A 49 -16.523 8.305 -12.047 1.00 0.00 C ATOM 738 O ILE A 49 -15.569 7.822 -11.436 1.00 0.00 O ATOM 739 CB ILE A 49 -16.835 10.769 -12.291 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.595 11.989 -13.182 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.149 10.947 -10.945 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.657 13.058 -13.042 1.00 0.00 C ATOM 0 H ILE A 49 -17.666 10.007 -14.517 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.270 9.605 -13.211 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.907 10.672 -12.120 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.623 12.420 -12.940 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.551 11.666 -14.222 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.517 11.855 -10.466 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.366 10.088 -10.310 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.072 11.026 -11.093 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.422 13.893 -13.703 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.628 12.644 -13.312 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.686 13.409 -12.010 1.00 0.00 H new ATOM 754 N SER A 50 -17.763 7.839 -11.939 1.00 0.00 N ATOM 755 CA SER A 50 -18.082 6.710 -11.073 1.00 0.00 C ATOM 756 C SER A 50 -17.609 5.398 -11.693 1.00 0.00 C ATOM 757 O SER A 50 -17.316 4.435 -10.985 1.00 0.00 O ATOM 758 CB SER A 50 -19.588 6.649 -10.812 1.00 0.00 C ATOM 759 OG SER A 50 -19.883 5.792 -9.723 1.00 0.00 O ATOM 0 H SER A 50 -18.563 8.226 -12.440 1.00 0.00 H new ATOM 0 HA SER A 50 -17.562 6.853 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.965 7.650 -10.603 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.101 6.295 -11.706 1.00 0.00 H new ATOM 0 HG SER A 50 -20.852 5.772 -9.576 1.00 0.00 H new ATOM 765 N ARG A 51 -17.537 5.371 -13.019 1.00 0.00 N ATOM 766 CA ARG A 51 -17.101 4.178 -13.736 1.00 0.00 C ATOM 767 C ARG A 51 -15.644 3.854 -13.417 1.00 0.00 C ATOM 768 O ARG A 51 -15.305 2.711 -13.111 1.00 0.00 O ATOM 769 CB ARG A 51 -17.273 4.372 -15.244 1.00 0.00 C ATOM 770 CG ARG A 51 -16.659 3.258 -16.075 1.00 0.00 C ATOM 771 CD ARG A 51 -17.274 1.908 -15.738 1.00 0.00 C ATOM 772 NE ARG A 51 -16.622 0.815 -16.455 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.001 -0.454 -16.361 1.00 0.00 C ATOM 774 NH1 ARG A 51 -18.022 -0.789 -15.585 1.00 0.00 N ATOM 775 NH2 ARG A 51 -16.358 -1.392 -17.045 1.00 0.00 N ATOM 0 H ARG A 51 -17.775 6.161 -13.619 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.721 3.342 -13.411 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.336 4.442 -15.474 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.822 5.321 -15.534 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.804 3.471 -17.134 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.584 3.223 -15.901 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.199 1.733 -14.665 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.336 1.921 -15.985 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.833 1.039 -17.061 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.519 -0.071 -15.058 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.311 -1.765 -15.515 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.572 -1.138 -17.643 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.650 -2.367 -16.972 1.00 0.00 H new ATOM 789 N PHE A 52 -14.788 4.868 -13.492 1.00 0.00 N ATOM 790 CA PHE A 52 -13.368 4.691 -13.213 1.00 0.00 C ATOM 791 C PHE A 52 -13.074 4.906 -11.731 1.00 0.00 C ATOM 792 O PHE A 52 -12.492 4.045 -11.072 1.00 0.00 O ATOM 793 CB PHE A 52 -12.536 5.660 -14.055 1.00 0.00 C ATOM 794 CG PHE A 52 -12.154 5.110 -15.400 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.000 4.359 -15.554 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.950 5.344 -16.510 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.646 3.851 -16.790 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.601 4.839 -17.748 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.448 4.092 -17.889 1.00 0.00 C ATOM 0 H PHE A 52 -15.053 5.820 -13.744 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.097 3.668 -13.475 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.099 6.583 -14.195 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.630 5.920 -13.507 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.369 4.168 -14.698 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.853 5.927 -16.406 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.744 3.267 -16.896 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.230 5.028 -18.605 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.174 3.697 -18.856 1.00 0.00 H new ATOM 809 N ALA A 53 -13.480 6.061 -11.215 1.00 0.00 N ATOM 810 CA ALA A 53 -13.262 6.390 -9.812 1.00 0.00 C ATOM 811 C ALA A 53 -14.282 5.691 -8.920 1.00 0.00 C ATOM 812 O ALA A 53 -15.470 6.011 -8.950 1.00 0.00 O ATOM 813 CB ALA A 53 -13.322 7.896 -9.607 1.00 0.00 C ATOM 0 H ALA A 53 -13.962 6.785 -11.748 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.270 6.036 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.157 8.127 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.550 8.376 -10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.301 8.266 -9.911 1.00 0.00 H new ATOM 819 N ARG A 54 -13.810 4.735 -8.126 1.00 0.00 N ATOM 820 CA ARG A 54 -14.682 3.989 -7.227 1.00 0.00 C ATOM 821 C ARG A 54 -15.143 4.866 -6.066 1.00 0.00 C ATOM 822 O ARG A 54 -14.360 5.631 -5.502 1.00 0.00 O ATOM 823 CB ARG A 54 -13.960 2.752 -6.690 1.00 0.00 C ATOM 824 CG ARG A 54 -14.896 1.615 -6.315 1.00 0.00 C ATOM 825 CD ARG A 54 -15.166 0.701 -7.500 1.00 0.00 C ATOM 826 NE ARG A 54 -16.420 -0.031 -7.351 1.00 0.00 N ATOM 827 CZ ARG A 54 -16.751 -1.081 -8.096 1.00 0.00 C ATOM 828 NH1 ARG A 54 -15.924 -1.518 -9.035 1.00 0.00 N ATOM 829 NH2 ARG A 54 -17.911 -1.695 -7.901 1.00 0.00 N ATOM 0 H ARG A 54 -12.829 4.459 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.559 3.672 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.255 2.398 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.376 3.034 -5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.460 1.037 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.837 2.024 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.198 1.293 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.344 -0.006 -7.607 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.078 0.280 -6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.031 -1.048 -9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.180 -2.324 -9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.550 -1.361 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.164 -2.501 -8.473 1.00 0.00 H new ATOM 961 N LYS A 63 -1.187 6.351 -1.289 1.00 0.00 N ATOM 962 CA LYS A 63 -0.243 7.408 -1.634 1.00 0.00 C ATOM 963 C LYS A 63 -0.476 7.902 -3.058 1.00 0.00 C ATOM 964 O LYS A 63 -1.005 7.176 -3.900 1.00 0.00 O ATOM 965 CB LYS A 63 1.194 6.904 -1.486 1.00 0.00 C ATOM 966 CG LYS A 63 2.218 8.017 -1.345 1.00 0.00 C ATOM 967 CD LYS A 63 3.442 7.554 -0.573 1.00 0.00 C ATOM 968 CE LYS A 63 3.257 7.734 0.926 1.00 0.00 C ATOM 969 NZ LYS A 63 4.405 7.181 1.697 1.00 0.00 N ATOM 0 HA LYS A 63 -0.402 8.241 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.254 6.254 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.448 6.296 -2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.520 8.363 -2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.765 8.867 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.637 6.504 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.316 8.116 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.144 8.794 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.337 7.241 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.241 7.323 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.498 6.164 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.279 7.669 1.416 1.00 0.00 H new ATOM 983 N THR A 64 -0.077 9.143 -3.322 1.00 0.00 N ATOM 984 CA THR A 64 -0.242 9.734 -4.643 1.00 0.00 C ATOM 985 C THR A 64 0.797 9.194 -5.620 1.00 0.00 C ATOM 986 O THR A 64 1.951 8.971 -5.255 1.00 0.00 O ATOM 987 CB THR A 64 -0.131 11.269 -4.590 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.580 11.749 -3.318 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.952 11.910 -5.698 1.00 0.00 C ATOM 0 H THR A 64 0.363 9.758 -2.637 1.00 0.00 H new ATOM 0 HA THR A 64 -1.239 9.461 -4.989 1.00 0.00 H new ATOM 0 HB THR A 64 0.915 11.540 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.505 12.726 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.858 12.994 -5.640 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.588 11.566 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.999 11.630 -5.583 1.00 0.00 H new ATOM 997 N VAL A 65 0.379 8.987 -6.865 1.00 0.00 N ATOM 998 CA VAL A 65 1.274 8.475 -7.896 1.00 0.00 C ATOM 999 C VAL A 65 1.451 9.488 -9.022 1.00 0.00 C ATOM 1000 O VAL A 65 2.385 9.390 -9.818 1.00 0.00 O ATOM 1001 CB VAL A 65 0.752 7.153 -8.488 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -0.525 7.390 -9.280 1.00 0.00 C ATOM 1003 CG2 VAL A 65 1.816 6.501 -9.357 1.00 0.00 C ATOM 0 H VAL A 65 -0.573 9.166 -7.184 1.00 0.00 H new ATOM 0 HA VAL A 65 2.237 8.295 -7.418 1.00 0.00 H new ATOM 0 HB VAL A 65 0.521 6.474 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.879 6.445 -9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.288 7.809 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.324 8.087 -10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.429 5.568 -9.767 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.082 7.173 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.701 6.294 -8.755 1.00 0.00 H new ATOM 1013 N GLY A 66 0.548 10.462 -9.083 1.00 0.00 N ATOM 1014 CA GLY A 66 0.622 11.479 -10.115 1.00 0.00 C ATOM 1015 C GLY A 66 -0.520 12.472 -10.034 1.00 0.00 C ATOM 1016 O GLY A 66 -1.557 12.189 -9.432 1.00 0.00 O ATOM 0 H GLY A 66 -0.234 10.565 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.569 12.012 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.614 11.000 -11.094 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.332 13.640 -10.639 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.354 14.680 -10.630 1.00 0.00 C ATOM 1022 C PHE A 67 -1.658 15.156 -12.047 1.00 0.00 C ATOM 1023 O PHE A 67 -0.748 15.431 -12.830 1.00 0.00 O ATOM 1024 CB PHE A 67 -0.903 15.861 -9.769 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.370 15.454 -8.425 1.00 0.00 C ATOM 1026 CD1 PHE A 67 0.954 15.073 -8.276 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -1.193 15.451 -7.310 1.00 0.00 C ATOM 1028 CE1 PHE A 67 1.447 14.698 -7.040 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -0.705 15.078 -6.072 1.00 0.00 C ATOM 1030 CZ PHE A 67 0.616 14.700 -5.937 1.00 0.00 C ATOM 0 H PHE A 67 0.519 13.890 -11.142 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.264 14.256 -10.205 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.132 16.417 -10.303 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.744 16.539 -9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.608 15.069 -9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.228 15.744 -7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.481 14.404 -6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.357 15.082 -5.211 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.999 14.406 -4.971 1.00 0.00 H new ATOM 1040 N VAL A 68 -2.944 15.250 -12.371 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.369 15.693 -13.693 1.00 0.00 C ATOM 1042 C VAL A 68 -4.437 16.776 -13.593 1.00 0.00 C ATOM 1043 O VAL A 68 -5.398 16.647 -12.834 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.918 14.521 -14.528 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.517 15.028 -15.831 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.823 13.500 -14.797 1.00 0.00 C ATOM 0 H VAL A 68 -3.709 15.025 -11.735 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.488 16.101 -14.188 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.708 14.031 -13.959 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.900 14.186 -16.408 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.332 15.718 -15.613 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.749 15.544 -16.408 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.228 12.679 -15.388 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.010 13.975 -15.346 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.445 13.114 -13.850 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.263 17.845 -14.364 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.214 18.951 -14.363 1.00 0.00 C ATOM 1058 C VAL A 69 -5.825 19.150 -15.745 1.00 0.00 C ATOM 1059 O VAL A 69 -5.129 19.493 -16.701 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.546 20.264 -13.915 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.551 21.406 -13.928 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.928 20.103 -12.534 1.00 0.00 C ATOM 0 H VAL A 69 -3.473 17.969 -14.997 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.001 18.692 -13.655 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.749 20.505 -14.619 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.061 22.326 -13.609 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.942 21.535 -14.937 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.371 21.177 -13.248 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.460 21.040 -12.233 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.705 19.838 -11.816 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.176 19.315 -12.562 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.133 18.935 -15.845 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.840 19.093 -17.110 1.00 0.00 C ATOM 1074 C VAL A 70 -8.986 20.090 -16.978 1.00 0.00 C ATOM 1075 O VAL A 70 -9.970 19.832 -16.287 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.399 17.748 -17.612 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.214 17.949 -18.880 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.270 16.756 -17.846 1.00 0.00 C ATOM 0 H VAL A 70 -7.725 18.651 -15.064 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.116 19.470 -17.833 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.058 17.339 -16.846 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.601 16.988 -19.220 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.046 18.623 -18.675 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.580 18.380 -19.655 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.683 15.812 -18.200 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.584 17.155 -18.593 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.733 16.589 -16.912 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.850 21.230 -17.647 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.875 22.267 -17.605 1.00 0.00 C ATOM 1090 C ASN A 71 -10.254 22.715 -19.014 1.00 0.00 C ATOM 1091 O ASN A 71 -9.466 23.362 -19.704 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.383 23.466 -16.792 1.00 0.00 C ATOM 1093 CG ASN A 71 -9.046 23.095 -15.361 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -8.306 22.142 -15.113 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -9.588 23.847 -14.411 1.00 0.00 N ATOM 0 H ASN A 71 -8.041 21.459 -18.224 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.760 21.849 -17.125 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.501 23.890 -17.272 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.149 24.241 -16.793 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.397 23.645 -13.430 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.195 24.627 -14.662 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.466 22.366 -19.434 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.950 22.734 -20.758 1.00 0.00 C ATOM 1104 C ALA A 72 -12.375 24.198 -20.800 1.00 0.00 C ATOM 1105 O ALA A 72 -12.301 24.846 -21.844 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.108 21.834 -21.166 1.00 0.00 C ATOM 0 H ALA A 72 -12.130 21.829 -18.876 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.133 22.600 -21.467 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.460 22.120 -22.157 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.773 20.797 -21.185 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.921 21.940 -20.448 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.822 24.712 -19.660 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.259 26.100 -19.567 1.00 0.00 C ATOM 1114 C ASP A 73 -12.062 27.042 -19.472 1.00 0.00 C ATOM 1115 O ASP A 73 -12.090 28.154 -20.000 1.00 0.00 O ATOM 1116 CB ASP A 73 -14.170 26.290 -18.352 1.00 0.00 C ATOM 1117 CG ASP A 73 -13.390 26.423 -17.059 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.798 25.417 -16.617 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -13.371 27.534 -16.490 1.00 0.00 O ATOM 0 H ASP A 73 -12.891 24.189 -18.787 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.817 26.340 -20.472 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.783 27.180 -18.497 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.851 25.443 -18.276 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.012 26.589 -18.796 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.804 27.390 -18.632 1.00 0.00 C ATOM 1126 C LYS A 74 -8.786 27.068 -19.722 1.00 0.00 C ATOM 1127 O LYS A 74 -7.815 27.800 -19.914 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.187 27.142 -17.254 1.00 0.00 C ATOM 1129 CG LYS A 74 -10.176 27.284 -16.110 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.483 27.690 -14.820 1.00 0.00 C ATOM 1131 CE LYS A 74 -9.285 29.196 -14.744 1.00 0.00 C ATOM 1132 NZ LYS A 74 -8.743 29.618 -13.422 1.00 0.00 N ATOM 0 H LYS A 74 -10.973 25.671 -18.353 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.080 28.441 -18.716 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.760 26.139 -17.232 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.365 27.842 -17.102 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.929 28.028 -16.369 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.699 26.340 -15.961 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.074 27.356 -13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.516 27.191 -14.752 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.604 29.513 -15.534 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.236 29.697 -14.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.622 30.651 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.405 29.338 -12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.823 29.160 -13.262 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.016 25.970 -20.434 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.121 25.553 -21.507 1.00 0.00 C ATOM 1148 C LYS A 75 -6.736 25.219 -20.961 1.00 0.00 C ATOM 1149 O LYS A 75 -5.736 25.804 -21.377 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.012 26.653 -22.565 1.00 0.00 C ATOM 1151 CG LYS A 75 -7.605 26.140 -23.935 1.00 0.00 C ATOM 1152 CD LYS A 75 -7.155 27.273 -24.843 1.00 0.00 C ATOM 1153 CE LYS A 75 -5.744 27.730 -24.506 1.00 0.00 C ATOM 1154 NZ LYS A 75 -5.049 28.304 -25.691 1.00 0.00 N ATOM 0 H LYS A 75 -9.815 25.353 -20.287 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.538 24.656 -21.966 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.972 27.163 -22.647 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.285 27.394 -22.233 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.798 25.415 -23.828 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.444 25.617 -24.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.194 26.946 -25.882 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.843 28.113 -24.747 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.784 28.476 -23.712 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.171 26.886 -24.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.142 27.816 -25.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.643 28.180 -26.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.876 29.318 -25.535 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.685 24.274 -20.029 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.422 23.860 -19.427 1.00 0.00 C ATOM 1170 C LEU A 76 -5.390 22.351 -19.211 1.00 0.00 C ATOM 1171 O LEU A 76 -6.208 21.802 -18.474 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.208 24.582 -18.096 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.538 26.075 -18.081 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.534 26.609 -16.657 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.552 26.848 -18.944 1.00 0.00 C ATOM 0 H LEU A 76 -7.503 23.780 -19.674 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.617 24.127 -20.112 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.815 24.089 -17.337 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.166 24.458 -17.802 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.537 26.210 -18.495 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.771 27.673 -16.667 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.280 26.077 -16.067 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.548 26.461 -16.216 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.802 27.909 -18.921 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.542 26.705 -18.559 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.604 26.485 -19.970 1.00 0.00 H new ATOM 1187 N MET A 77 -4.438 21.686 -19.857 1.00 0.00 N ATOM 1188 CA MET A 77 -4.297 20.240 -19.733 1.00 0.00 C ATOM 1189 C MET A 77 -2.871 19.863 -19.345 1.00 0.00 C ATOM 1190 O MET A 77 -1.983 19.797 -20.195 1.00 0.00 O ATOM 1191 CB MET A 77 -4.679 19.554 -21.046 1.00 0.00 C ATOM 1192 CG MET A 77 -6.167 19.276 -21.177 1.00 0.00 C ATOM 1193 SD MET A 77 -7.094 20.713 -21.751 1.00 0.00 S ATOM 1194 CE MET A 77 -8.687 19.971 -22.099 1.00 0.00 C ATOM 0 H MET A 77 -3.753 22.125 -20.472 1.00 0.00 H new ATOM 0 HA MET A 77 -4.970 19.901 -18.945 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.360 20.180 -21.879 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.134 18.614 -21.127 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.319 18.450 -21.871 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.560 18.957 -20.211 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.956 20.158 -23.139 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.633 18.896 -21.926 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.442 20.407 -21.445 1.00 0.00 H new ATOM 1204 N SER A 78 -2.659 19.618 -18.056 1.00 0.00 N ATOM 1205 CA SER A 78 -1.339 19.252 -17.554 1.00 0.00 C ATOM 1206 C SER A 78 -1.344 17.831 -16.999 1.00 0.00 C ATOM 1207 O SER A 78 -2.368 17.341 -16.523 1.00 0.00 O ATOM 1208 CB SER A 78 -0.892 20.235 -16.470 1.00 0.00 C ATOM 1209 OG SER A 78 -0.453 19.549 -15.310 1.00 0.00 O ATOM 0 H SER A 78 -3.384 19.666 -17.340 1.00 0.00 H new ATOM 0 HA SER A 78 -0.636 19.296 -18.386 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.086 20.862 -16.853 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.718 20.899 -16.213 1.00 0.00 H new ATOM 0 HG SER A 78 -0.171 20.199 -14.633 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.190 17.174 -17.062 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.059 15.810 -16.564 1.00 0.00 C ATOM 1217 C VAL A 79 1.328 15.569 -15.980 1.00 0.00 C ATOM 1218 O VAL A 79 2.341 15.839 -16.625 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.321 14.779 -17.678 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.784 14.801 -18.093 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.585 15.042 -18.871 1.00 0.00 C ATOM 0 H VAL A 79 0.667 17.564 -17.453 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.806 15.686 -15.780 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.094 13.786 -17.291 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.950 14.066 -18.881 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.410 14.559 -17.234 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.043 15.793 -18.462 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.386 14.304 -19.648 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.392 16.041 -19.261 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.627 14.969 -18.560 1.00 0.00 H new ATOM 1231 N SER A 80 1.367 15.058 -14.753 1.00 0.00 N ATOM 1232 CA SER A 80 2.631 14.784 -14.079 1.00 0.00 C ATOM 1233 C SER A 80 2.507 13.567 -13.167 1.00 0.00 C ATOM 1234 O SER A 80 2.048 13.674 -12.029 1.00 0.00 O ATOM 1235 CB SER A 80 3.075 16.001 -13.267 1.00 0.00 C ATOM 1236 OG SER A 80 2.807 17.205 -13.964 1.00 0.00 O ATOM 0 H SER A 80 0.538 14.826 -14.206 1.00 0.00 H new ATOM 0 HA SER A 80 3.382 14.571 -14.840 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.558 16.010 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.142 15.930 -13.054 1.00 0.00 H new ATOM 0 HG SER A 80 3.099 17.968 -13.423 1.00 0.00 H new ATOM 1242 N PHE A 81 2.918 12.410 -13.675 1.00 0.00 N ATOM 1243 CA PHE A 81 2.853 11.172 -12.908 1.00 0.00 C ATOM 1244 C PHE A 81 4.240 10.556 -12.749 1.00 0.00 C ATOM 1245 O PHE A 81 5.210 11.022 -13.348 1.00 0.00 O ATOM 1246 CB PHE A 81 1.914 10.174 -13.589 1.00 0.00 C ATOM 1247 CG PHE A 81 2.079 10.118 -15.081 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.394 11.001 -15.900 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.918 9.183 -15.664 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.544 10.951 -17.273 1.00 0.00 C ATOM 1251 CE2 PHE A 81 3.072 9.128 -17.036 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.384 10.015 -17.842 1.00 0.00 C ATOM 0 H PHE A 81 3.300 12.304 -14.615 1.00 0.00 H new ATOM 0 HA PHE A 81 2.465 11.408 -11.917 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.089 9.181 -13.175 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.883 10.439 -13.355 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.736 11.736 -15.461 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.459 8.488 -15.038 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.004 11.644 -17.901 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.729 8.393 -17.478 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.503 9.976 -18.915 1.00 0.00 H new ATOM 1262 N SER A 82 4.326 9.506 -11.939 1.00 0.00 N ATOM 1263 CA SER A 82 5.594 8.828 -11.697 1.00 0.00 C ATOM 1264 C SER A 82 6.277 8.469 -13.013 1.00 0.00 C ATOM 1265 O SER A 82 5.616 8.131 -13.996 1.00 0.00 O ATOM 1266 CB SER A 82 5.371 7.565 -10.863 1.00 0.00 C ATOM 1267 OG SER A 82 6.603 7.026 -10.416 1.00 0.00 O ATOM 0 H SER A 82 3.532 9.106 -11.439 1.00 0.00 H new ATOM 0 HA SER A 82 6.242 9.508 -11.145 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.740 7.798 -10.005 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.839 6.822 -11.457 1.00 0.00 H new ATOM 0 HG SER A 82 6.434 6.221 -9.884 1.00 0.00 H new ATOM 1273 N ASP A 83 7.603 8.544 -13.024 1.00 0.00 N ATOM 1274 CA ASP A 83 8.377 8.225 -14.219 1.00 0.00 C ATOM 1275 C ASP A 83 8.176 6.769 -14.624 1.00 0.00 C ATOM 1276 O ASP A 83 8.716 5.859 -13.994 1.00 0.00 O ATOM 1277 CB ASP A 83 9.862 8.500 -13.978 1.00 0.00 C ATOM 1278 CG ASP A 83 10.181 9.982 -13.954 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.231 10.793 -13.950 1.00 0.00 O ATOM 1280 OD2 ASP A 83 11.380 10.332 -13.941 1.00 0.00 O ATOM 0 H ASP A 83 8.165 8.823 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 83 8.024 8.861 -15.031 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.162 8.052 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.449 8.018 -14.760 1.00 0.00 H new ATOM 1285 N ILE A 84 7.395 6.556 -15.678 1.00 0.00 N ATOM 1286 CA ILE A 84 7.123 5.210 -16.167 1.00 0.00 C ATOM 1287 C ILE A 84 7.979 4.884 -17.387 1.00 0.00 C ATOM 1288 O ILE A 84 8.799 5.696 -17.817 1.00 0.00 O ATOM 1289 CB ILE A 84 5.638 5.034 -16.535 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.194 6.138 -17.497 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.778 5.040 -15.280 1.00 0.00 C ATOM 1292 CD1 ILE A 84 3.843 5.882 -18.128 1.00 0.00 C ATOM 0 H ILE A 84 6.940 7.298 -16.209 1.00 0.00 H new ATOM 0 HA ILE A 84 7.372 4.524 -15.357 1.00 0.00 H new ATOM 0 HB ILE A 84 5.513 4.073 -17.033 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.161 7.086 -16.959 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.940 6.244 -18.285 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.731 4.915 -15.556 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.082 4.222 -14.627 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.904 5.988 -14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.592 6.705 -18.798 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.876 4.951 -18.694 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.086 5.806 -17.348 1.00 0.00 H new ATOM 1304 N ASP A 85 7.782 3.693 -17.940 1.00 0.00 N ATOM 1305 CA ASP A 85 8.534 3.260 -19.112 1.00 0.00 C ATOM 1306 C ASP A 85 8.456 4.303 -20.223 1.00 0.00 C ATOM 1307 O ASP A 85 7.620 5.205 -20.182 1.00 0.00 O ATOM 1308 CB ASP A 85 8.003 1.918 -19.618 1.00 0.00 C ATOM 1309 CG ASP A 85 7.866 0.894 -18.508 1.00 0.00 C ATOM 1310 OD1 ASP A 85 8.890 0.569 -17.871 1.00 0.00 O ATOM 1311 OD2 ASP A 85 6.735 0.419 -18.277 1.00 0.00 O ATOM 0 H ASP A 85 7.108 3.010 -17.596 1.00 0.00 H new ATOM 0 HA ASP A 85 9.578 3.142 -18.820 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.032 2.069 -20.091 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.674 1.531 -20.385 1.00 0.00 H new ATOM 1316 N GLU A 86 9.335 4.174 -21.212 1.00 0.00 N ATOM 1317 CA GLU A 86 9.366 5.107 -22.332 1.00 0.00 C ATOM 1318 C GLU A 86 8.207 4.846 -23.290 1.00 0.00 C ATOM 1319 O GLU A 86 7.593 5.779 -23.806 1.00 0.00 O ATOM 1320 CB GLU A 86 10.696 4.995 -23.081 1.00 0.00 C ATOM 1321 CG GLU A 86 10.962 3.609 -23.644 1.00 0.00 C ATOM 1322 CD GLU A 86 12.321 3.501 -24.308 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.289 4.085 -23.777 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.417 2.832 -25.358 1.00 0.00 O ATOM 0 H GLU A 86 10.034 3.433 -21.260 1.00 0.00 H new ATOM 0 HA GLU A 86 9.265 6.117 -21.934 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.706 5.718 -23.897 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.508 5.266 -22.406 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.895 2.875 -22.841 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.187 3.360 -24.369 1.00 0.00 H new ATOM 1331 N ASN A 87 7.914 3.571 -23.522 1.00 0.00 N ATOM 1332 CA ASN A 87 6.829 3.187 -24.418 1.00 0.00 C ATOM 1333 C ASN A 87 5.533 3.897 -24.039 1.00 0.00 C ATOM 1334 O ASN A 87 4.898 4.538 -24.876 1.00 0.00 O ATOM 1335 CB ASN A 87 6.623 1.671 -24.381 1.00 0.00 C ATOM 1336 CG ASN A 87 7.606 0.932 -25.268 1.00 0.00 C ATOM 1337 OD1 ASN A 87 7.307 0.622 -26.422 1.00 0.00 O ATOM 1338 ND2 ASN A 87 8.787 0.647 -24.733 1.00 0.00 N ATOM 0 H ASN A 87 8.412 2.786 -23.102 1.00 0.00 H new ATOM 0 HA ASN A 87 7.103 3.486 -25.430 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.727 1.318 -23.355 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.606 1.437 -24.697 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.490 0.152 -25.282 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.992 0.923 -23.773 1.00 0.00 H new ATOM 1345 N MET A 88 5.148 3.778 -22.773 1.00 0.00 N ATOM 1346 CA MET A 88 3.929 4.411 -22.283 1.00 0.00 C ATOM 1347 C MET A 88 3.966 5.918 -22.517 1.00 0.00 C ATOM 1348 O MET A 88 2.932 6.547 -22.744 1.00 0.00 O ATOM 1349 CB MET A 88 3.741 4.119 -20.793 1.00 0.00 C ATOM 1350 CG MET A 88 3.254 2.708 -20.506 1.00 0.00 C ATOM 1351 SD MET A 88 4.015 1.997 -19.034 1.00 0.00 S ATOM 1352 CE MET A 88 2.583 1.797 -17.976 1.00 0.00 C ATOM 0 H MET A 88 5.662 3.250 -22.068 1.00 0.00 H new ATOM 0 HA MET A 88 3.087 3.996 -22.837 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.688 4.279 -20.278 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.028 4.832 -20.379 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.171 2.720 -20.381 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.469 2.072 -21.365 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.892 1.366 -17.024 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.121 2.769 -17.802 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.864 1.135 -18.458 1.00 0.00 H new ATOM 1362 N LYS A 89 5.163 6.491 -22.462 1.00 0.00 N ATOM 1363 CA LYS A 89 5.336 7.924 -22.669 1.00 0.00 C ATOM 1364 C LYS A 89 4.917 8.324 -24.080 1.00 0.00 C ATOM 1365 O LYS A 89 4.533 9.468 -24.324 1.00 0.00 O ATOM 1366 CB LYS A 89 6.793 8.323 -22.426 1.00 0.00 C ATOM 1367 CG LYS A 89 6.960 9.753 -21.943 1.00 0.00 C ATOM 1368 CD LYS A 89 8.423 10.161 -21.902 1.00 0.00 C ATOM 1369 CE LYS A 89 9.104 9.666 -20.635 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.496 10.182 -20.515 1.00 0.00 N ATOM 0 H LYS A 89 6.029 5.985 -22.276 1.00 0.00 H new ATOM 0 HA LYS A 89 4.699 8.448 -21.957 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.228 7.647 -21.690 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.356 8.193 -23.350 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.412 10.427 -22.602 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.525 9.855 -20.949 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.939 9.759 -22.774 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.501 11.247 -21.958 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.525 9.978 -19.766 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.119 8.576 -20.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.925 9.822 -19.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.056 9.863 -21.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.480 11.222 -20.491 1.00 0.00 H new ATOM 1384 N LYS A 90 4.990 7.374 -25.006 1.00 0.00 N ATOM 1385 CA LYS A 90 4.616 7.626 -26.392 1.00 0.00 C ATOM 1386 C LYS A 90 3.109 7.824 -26.521 1.00 0.00 C ATOM 1387 O LYS A 90 2.648 8.842 -27.037 1.00 0.00 O ATOM 1388 CB LYS A 90 5.067 6.466 -27.283 1.00 0.00 C ATOM 1389 CG LYS A 90 6.565 6.219 -27.248 1.00 0.00 C ATOM 1390 CD LYS A 90 7.037 5.478 -28.487 1.00 0.00 C ATOM 1391 CE LYS A 90 6.877 3.973 -28.332 1.00 0.00 C ATOM 1392 NZ LYS A 90 7.262 3.244 -29.571 1.00 0.00 N ATOM 0 H LYS A 90 5.305 6.422 -24.821 1.00 0.00 H new ATOM 0 HA LYS A 90 5.114 8.540 -26.716 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.550 5.558 -26.972 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.765 6.669 -28.310 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.090 7.171 -27.170 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.819 5.642 -26.359 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.470 5.818 -29.354 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.083 5.716 -28.678 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.491 3.626 -27.501 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.842 3.742 -28.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.139 2.222 -29.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.659 3.556 -30.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.257 3.444 -29.796 1.00 0.00 H new ATOM 1406 N VAL A 91 2.345 6.843 -26.049 1.00 0.00 N ATOM 1407 CA VAL A 91 0.890 6.911 -26.109 1.00 0.00 C ATOM 1408 C VAL A 91 0.357 8.059 -25.259 1.00 0.00 C ATOM 1409 O VAL A 91 -0.602 8.731 -25.637 1.00 0.00 O ATOM 1410 CB VAL A 91 0.247 5.594 -25.635 1.00 0.00 C ATOM 1411 CG1 VAL A 91 0.719 5.244 -24.232 1.00 0.00 C ATOM 1412 CG2 VAL A 91 -1.270 5.694 -25.687 1.00 0.00 C ATOM 0 H VAL A 91 2.710 5.992 -25.621 1.00 0.00 H new ATOM 0 HA VAL A 91 0.624 7.082 -27.152 1.00 0.00 H new ATOM 0 HB VAL A 91 0.559 4.794 -26.307 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.254 4.311 -23.914 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.803 5.128 -24.231 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.439 6.042 -23.544 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.708 4.755 -25.349 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.604 6.504 -25.039 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.587 5.894 -26.711 1.00 0.00 H new ATOM 1422 N ILE A 92 0.987 8.278 -24.110 1.00 0.00 N ATOM 1423 CA ILE A 92 0.577 9.346 -23.206 1.00 0.00 C ATOM 1424 C ILE A 92 0.844 10.717 -23.820 1.00 0.00 C ATOM 1425 O ILE A 92 0.005 11.615 -23.749 1.00 0.00 O ATOM 1426 CB ILE A 92 1.308 9.251 -21.854 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.929 7.954 -21.136 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.978 10.457 -20.988 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.892 7.571 -20.033 1.00 0.00 C ATOM 0 H ILE A 92 1.783 7.730 -23.783 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.494 9.226 -23.040 1.00 0.00 H new ATOM 0 HB ILE A 92 2.382 9.243 -22.038 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.070 8.060 -20.714 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.883 7.145 -21.865 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.502 10.375 -20.036 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.292 11.368 -21.498 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.097 10.493 -20.809 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.562 6.642 -19.568 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.889 7.432 -20.452 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.920 8.362 -19.284 1.00 0.00 H new ATOM 1441 N LYS A 93 2.017 10.871 -24.424 1.00 0.00 N ATOM 1442 CA LYS A 93 2.395 12.131 -25.053 1.00 0.00 C ATOM 1443 C LYS A 93 1.495 12.434 -26.247 1.00 0.00 C ATOM 1444 O LYS A 93 1.080 13.574 -26.450 1.00 0.00 O ATOM 1445 CB LYS A 93 3.857 12.082 -25.502 1.00 0.00 C ATOM 1446 CG LYS A 93 4.845 12.382 -24.388 1.00 0.00 C ATOM 1447 CD LYS A 93 5.053 13.877 -24.215 1.00 0.00 C ATOM 1448 CE LYS A 93 5.940 14.448 -25.311 1.00 0.00 C ATOM 1449 NZ LYS A 93 7.294 13.828 -25.307 1.00 0.00 N ATOM 0 H LYS A 93 2.723 10.138 -24.491 1.00 0.00 H new ATOM 0 HA LYS A 93 2.274 12.927 -24.318 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.070 11.094 -25.909 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.005 12.799 -26.310 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.482 11.954 -23.454 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.799 11.904 -24.608 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.088 14.383 -24.226 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.504 14.072 -23.242 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.469 14.286 -26.281 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.034 15.526 -25.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.968 14.462 -25.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.600 13.669 -24.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.261 12.919 -25.811 1.00 0.00 H new ATOM 1463 N ALA A 94 1.197 11.404 -27.033 1.00 0.00 N ATOM 1464 CA ALA A 94 0.343 11.560 -28.205 1.00 0.00 C ATOM 1465 C ALA A 94 -1.072 11.960 -27.803 1.00 0.00 C ATOM 1466 O ALA A 94 -1.634 12.917 -28.338 1.00 0.00 O ATOM 1467 CB ALA A 94 0.321 10.274 -29.016 1.00 0.00 C ATOM 0 H ALA A 94 1.534 10.454 -26.880 1.00 0.00 H new ATOM 0 HA ALA A 94 0.756 12.358 -28.822 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.320 10.405 -29.888 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.333 10.032 -29.342 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.065 9.462 -28.400 1.00 0.00 H new ATOM 1473 N THR A 95 -1.646 11.221 -26.859 1.00 0.00 N ATOM 1474 CA THR A 95 -2.997 11.497 -26.387 1.00 0.00 C ATOM 1475 C THR A 95 -3.091 12.888 -25.771 1.00 0.00 C ATOM 1476 O THR A 95 -4.058 13.614 -26.000 1.00 0.00 O ATOM 1477 CB THR A 95 -3.453 10.456 -25.348 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.283 9.134 -25.871 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.910 10.673 -24.967 1.00 0.00 C ATOM 0 H THR A 95 -1.196 10.426 -26.406 1.00 0.00 H new ATOM 0 HA THR A 95 -3.652 11.443 -27.256 1.00 0.00 H new ATOM 0 HB THR A 95 -2.839 10.574 -24.455 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.357 8.844 -25.732 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.209 9.926 -24.232 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.030 11.669 -24.541 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.536 10.580 -25.854 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.080 13.254 -24.990 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.048 14.560 -24.344 1.00 0.00 C ATOM 1489 C ALA A 96 -1.897 15.677 -25.370 1.00 0.00 C ATOM 1490 O ALA A 96 -2.476 16.752 -25.219 1.00 0.00 O ATOM 1491 CB ALA A 96 -0.916 14.618 -23.328 1.00 0.00 C ATOM 0 H ALA A 96 -1.272 12.664 -24.789 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.996 14.705 -23.826 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.903 15.599 -22.853 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.068 13.850 -22.570 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.035 14.447 -23.833 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.116 15.415 -26.413 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.889 16.401 -27.464 1.00 0.00 C ATOM 1499 C GLU A 97 -2.143 16.589 -28.313 1.00 0.00 C ATOM 1500 O GLU A 97 -2.425 17.689 -28.789 1.00 0.00 O ATOM 1501 CB GLU A 97 0.282 15.973 -28.351 1.00 0.00 C ATOM 1502 CG GLU A 97 0.956 17.130 -29.069 1.00 0.00 C ATOM 1503 CD GLU A 97 0.356 17.398 -30.435 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -0.642 16.735 -30.786 1.00 0.00 O ATOM 1505 OE2 GLU A 97 0.884 18.273 -31.153 1.00 0.00 O ATOM 0 H GLU A 97 -0.630 14.529 -26.553 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.647 17.352 -26.989 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.021 15.456 -27.738 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.076 15.257 -29.090 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.874 18.029 -28.458 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.019 16.915 -29.179 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.892 15.507 -28.499 1.00 0.00 N ATOM 1513 CA LYS A 98 -4.116 15.551 -29.290 1.00 0.00 C ATOM 1514 C LYS A 98 -5.141 16.484 -28.654 1.00 0.00 C ATOM 1515 O LYS A 98 -5.937 17.116 -29.350 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.707 14.146 -29.431 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.846 13.204 -30.253 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.295 13.161 -31.704 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.826 11.890 -32.395 1.00 0.00 C ATOM 1520 NZ LYS A 98 -4.492 10.679 -31.841 1.00 0.00 N ATOM 0 H LYS A 98 -2.673 14.589 -28.113 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.867 15.934 -30.279 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.851 13.720 -28.438 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.692 14.220 -29.892 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.805 13.524 -30.203 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.893 12.202 -29.827 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.382 13.222 -31.751 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.903 14.030 -32.233 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.031 11.961 -33.463 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.746 11.793 -32.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.481 9.921 -32.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.985 10.363 -30.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.476 10.907 -31.593 1.00 0.00 H new ATOM 1534 N PHE A 99 -5.117 16.568 -27.328 1.00 0.00 N ATOM 1535 CA PHE A 99 -6.044 17.425 -26.598 1.00 0.00 C ATOM 1536 C PHE A 99 -5.948 18.868 -27.084 1.00 0.00 C ATOM 1537 O PHE A 99 -6.875 19.658 -26.908 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.758 17.360 -25.097 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.669 16.427 -24.352 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -7.899 16.863 -23.888 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -6.297 15.113 -24.118 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -8.740 16.007 -23.202 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -7.133 14.252 -23.433 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.357 14.699 -22.975 1.00 0.00 C ATOM 0 H PHE A 99 -4.465 16.053 -26.737 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.056 17.064 -26.783 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.726 17.045 -24.945 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.851 18.360 -24.674 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.205 17.884 -24.064 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.342 14.757 -24.475 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.696 16.360 -22.844 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.830 13.231 -23.256 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.013 14.028 -22.441 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.818 19.206 -27.696 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.598 20.553 -28.208 1.00 0.00 C ATOM 1556 C LYS A 100 -5.791 21.023 -29.034 1.00 0.00 C ATOM 1557 O LYS A 100 -6.070 22.218 -29.113 1.00 0.00 O ATOM 1558 CB LYS A 100 -3.327 20.596 -29.060 1.00 0.00 C ATOM 1559 CG LYS A 100 -3.474 19.909 -30.407 1.00 0.00 C ATOM 1560 CD LYS A 100 -2.147 19.835 -31.143 1.00 0.00 C ATOM 1561 CE LYS A 100 -1.698 21.207 -31.624 1.00 0.00 C ATOM 1562 NZ LYS A 100 -0.707 21.109 -32.731 1.00 0.00 N ATOM 0 H LYS A 100 -4.040 18.565 -27.849 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.481 21.223 -27.356 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.043 21.636 -29.221 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.514 20.125 -28.508 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.867 18.903 -30.262 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.199 20.450 -31.015 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.388 19.413 -30.485 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.240 19.162 -31.995 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.565 21.775 -31.962 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.260 21.758 -30.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.426 22.064 -33.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.131 20.589 -32.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.133 20.605 -33.535 1.00 0.00 H new ATOM 1576 N ASN A 101 -6.493 20.074 -29.645 1.00 0.00 N ATOM 1577 CA ASN A 101 -7.657 20.391 -30.463 1.00 0.00 C ATOM 1578 C ASN A 101 -8.632 21.283 -29.700 1.00 0.00 C ATOM 1579 O ASN A 101 -9.337 22.101 -30.292 1.00 0.00 O ATOM 1580 CB ASN A 101 -8.362 19.107 -30.904 1.00 0.00 C ATOM 1581 CG ASN A 101 -8.466 18.090 -29.784 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -8.438 18.444 -28.605 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -8.587 16.819 -30.148 1.00 0.00 N ATOM 0 H ASN A 101 -6.276 19.079 -29.589 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.313 20.930 -31.346 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.362 19.350 -31.264 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.820 18.667 -31.741 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.661 16.090 -29.438 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.606 16.571 -31.137 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.666 21.120 -28.382 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.552 21.910 -27.535 1.00 0.00 C ATOM 1592 C LYS A 102 -8.775 22.567 -26.398 1.00 0.00 C ATOM 1593 O LYS A 102 -9.348 23.272 -25.569 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.666 21.030 -26.965 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.184 20.045 -25.913 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.342 19.284 -25.290 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.151 20.169 -24.354 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.189 19.395 -23.618 1.00 0.00 N ATOM 0 H LYS A 102 -8.090 20.447 -27.877 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.996 22.694 -28.148 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.434 21.668 -26.529 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.135 20.478 -27.780 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.486 19.341 -26.365 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.638 20.580 -25.135 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.990 18.897 -26.077 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.960 18.424 -24.740 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.482 20.650 -23.640 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.629 20.963 -24.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.963 20.031 -23.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.563 18.644 -24.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.767 18.969 -22.769 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.467 22.331 -26.367 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.634 22.907 -25.329 1.00 0.00 C ATOM 1614 C GLY A 103 -5.166 22.926 -25.707 1.00 0.00 C ATOM 1615 O GLY A 103 -4.391 22.081 -25.259 1.00 0.00 O ATOM 0 H GLY A 103 -6.970 21.751 -27.043 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.966 23.925 -25.124 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.761 22.338 -24.408 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.782 23.892 -26.536 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.398 24.015 -26.977 1.00 0.00 C ATOM 1621 C PHE A 104 -2.444 24.002 -25.785 1.00 0.00 C ATOM 1622 O PHE A 104 -1.302 23.555 -25.894 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.210 25.304 -27.780 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.708 25.207 -29.194 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -5.048 25.399 -29.485 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -2.835 24.922 -30.232 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -5.510 25.311 -30.785 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -3.291 24.833 -31.534 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.630 25.026 -31.810 1.00 0.00 C ATOM 0 H PHE A 104 -5.410 24.600 -26.915 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.168 23.161 -27.614 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.731 26.117 -27.275 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.151 25.564 -27.793 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.741 25.620 -28.687 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.787 24.768 -30.021 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.557 25.465 -30.998 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.600 24.613 -32.335 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.989 24.954 -32.826 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.921 24.496 -24.648 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.114 24.541 -23.435 1.00 0.00 C ATOM 1641 C LYS A 105 -1.934 23.145 -22.848 1.00 0.00 C ATOM 1642 O LYS A 105 -2.612 22.770 -21.892 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.764 25.461 -22.399 1.00 0.00 C ATOM 1644 CG LYS A 105 -1.788 26.007 -21.372 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.279 27.384 -21.763 1.00 0.00 C ATOM 1646 CE LYS A 105 -2.202 28.483 -21.259 1.00 0.00 C ATOM 1647 NZ LYS A 105 -1.740 29.833 -21.685 1.00 0.00 N ATOM 0 H LYS A 105 -3.863 24.871 -24.541 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.132 24.935 -23.697 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.240 26.295 -22.914 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.552 24.913 -21.883 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.275 26.061 -20.399 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.946 25.323 -21.269 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.279 27.532 -21.356 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.194 27.447 -22.848 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.211 28.310 -21.633 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.254 28.443 -20.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.395 30.555 -21.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.787 30.009 -21.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.715 29.880 -22.724 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.014 22.379 -23.427 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.743 21.024 -22.961 1.00 0.00 C ATOM 1663 C VAL A 106 0.654 20.920 -22.359 1.00 0.00 C ATOM 1664 O VAL A 106 1.624 21.419 -22.929 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.877 20.000 -24.103 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.711 18.584 -23.572 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -2.215 20.160 -24.808 1.00 0.00 C ATOM 0 H VAL A 106 -0.444 22.674 -24.220 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.484 20.798 -22.194 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.086 20.186 -24.829 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.809 17.874 -24.393 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.274 18.479 -23.117 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.479 18.383 -22.825 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.292 19.428 -25.612 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.024 20.002 -24.094 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.289 21.165 -25.224 1.00 0.00 H new ATOM 1677 N GLU A 107 0.748 20.267 -21.205 1.00 0.00 N ATOM 1678 CA GLU A 107 2.028 20.097 -20.527 1.00 0.00 C ATOM 1679 C GLU A 107 2.124 18.717 -19.884 1.00 0.00 C ATOM 1680 O GLU A 107 1.171 18.239 -19.266 1.00 0.00 O ATOM 1681 CB GLU A 107 2.214 21.182 -19.463 1.00 0.00 C ATOM 1682 CG GLU A 107 1.910 22.584 -19.964 1.00 0.00 C ATOM 1683 CD GLU A 107 2.207 23.650 -18.927 1.00 0.00 C ATOM 1684 OE1 GLU A 107 3.395 23.832 -18.588 1.00 0.00 O ATOM 1685 OE2 GLU A 107 1.252 24.302 -18.455 1.00 0.00 O ATOM 0 H GLU A 107 -0.046 19.848 -20.721 1.00 0.00 H new ATOM 0 HA GLU A 107 2.819 20.188 -21.271 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.568 20.961 -18.614 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.241 21.150 -19.099 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.497 22.781 -20.861 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.860 22.644 -20.251 1.00 0.00 H new ATOM 1692 N THR A 108 3.281 18.080 -20.033 1.00 0.00 N ATOM 1693 CA THR A 108 3.502 16.754 -19.470 1.00 0.00 C ATOM 1694 C THR A 108 4.829 16.689 -18.723 1.00 0.00 C ATOM 1695 O THR A 108 5.788 17.373 -19.080 1.00 0.00 O ATOM 1696 CB THR A 108 3.487 15.669 -20.563 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.687 15.742 -21.342 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.277 15.832 -21.470 1.00 0.00 C ATOM 0 H THR A 108 4.080 18.461 -20.539 1.00 0.00 H new ATOM 0 HA THR A 108 2.686 16.567 -18.773 1.00 0.00 H new ATOM 0 HB THR A 108 3.428 14.695 -20.077 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.458 15.752 -22.295 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.288 15.055 -22.234 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.365 15.747 -20.879 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.310 16.811 -21.948 1.00 0.00 H new ATOM 1706 N ASP A 109 4.878 15.861 -17.685 1.00 0.00 N ATOM 1707 CA ASP A 109 6.090 15.704 -16.888 1.00 0.00 C ATOM 1708 C ASP A 109 6.890 14.490 -17.348 1.00 0.00 C ATOM 1709 O ASP A 109 6.489 13.349 -17.124 1.00 0.00 O ATOM 1710 CB ASP A 109 5.737 15.566 -15.406 1.00 0.00 C ATOM 1711 CG ASP A 109 6.938 15.768 -14.504 1.00 0.00 C ATOM 1712 OD1 ASP A 109 8.013 16.138 -15.020 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.803 15.555 -13.281 1.00 0.00 O ATOM 0 H ASP A 109 4.093 15.288 -17.376 1.00 0.00 H new ATOM 0 HA ASP A 109 6.704 16.594 -17.026 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.967 16.294 -15.150 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.314 14.578 -15.227 1.00 0.00 H new