USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 805 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 85 SER OG : rot 27:sc= 0.92 USER MOD Set 1.2: A 95 ASN : amide:sc= -2.17 K(o=-1.2,f=-4.4!) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= -0.501 USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0.0253 USER MOD Set 3.1: A 68 SER OG : rot -71:sc= -0.568 USER MOD Set 3.2: A 71 GLN : amide:sc= 0.171 X(o=-0.4,f=-0.5) USER MOD Set 4.1: A 28 THR OG1 : rot -98:sc= 1.3 USER MOD Set 4.2: A 39 SER OG : rot 10:sc= -0.716! USER MOD Set 5.1: A 26 HIS : no HE2:sc= -5.02! K(o=-3.7!,f=-2.8) USER MOD Set 5.2: A 40 SER OG : rot 101:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0403 (180deg=-0.164) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 15 THR OG1 : rot 85:sc= 0.97 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0195 (180deg=-0.216) USER MOD Single : A 21 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 89:sc= 0.773 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 66 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 67 MET CE :methyl -167:sc= -2.68 (180deg=-3.07) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0.0617 (180deg=0.043) USER MOD Single : A 77 CYS SG : rot 140:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -18:sc= 0.609 USER MOD Single : A 88 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-0.8) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.675 -1.601 0.849 1.00 0.00 N ATOM 2 CA MET A 1 1.740 -0.766 -0.345 1.00 0.00 C ATOM 3 C MET A 1 1.193 -1.509 -1.559 1.00 0.00 C ATOM 4 O MET A 1 0.941 -2.712 -1.500 1.00 0.00 O ATOM 5 CB MET A 1 3.182 -0.326 -0.608 1.00 0.00 C ATOM 6 CG MET A 1 4.186 -1.465 -0.536 1.00 0.00 C ATOM 7 SD MET A 1 5.769 -1.043 -1.291 1.00 0.00 S ATOM 8 CE MET A 1 6.856 -2.206 -0.470 1.00 0.00 C ATOM 0 H1 MET A 1 2.459 -1.356 1.487 1.00 0.00 H new ATOM 0 H2 MET A 1 0.769 -1.442 1.335 1.00 0.00 H new ATOM 0 H3 MET A 1 1.751 -2.602 0.577 1.00 0.00 H new ATOM 0 HA MET A 1 1.124 0.117 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.239 0.136 -1.594 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.459 0.438 0.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.346 -1.738 0.507 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.772 -2.341 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.875 -2.069 -0.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.827 -2.034 0.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.529 -3.223 -0.684 1.00 0.00 H new ATOM 18 N GLY A 2 1.010 -0.785 -2.659 1.00 0.00 N ATOM 19 CA GLY A 2 0.493 -1.393 -3.871 1.00 0.00 C ATOM 20 C GLY A 2 -1.008 -1.232 -4.005 1.00 0.00 C ATOM 21 O GLY A 2 -1.562 -1.396 -5.092 1.00 0.00 O ATOM 0 H GLY A 2 1.211 0.212 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.982 -0.945 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.744 -2.454 -3.877 1.00 0.00 H new ATOM 25 N VAL A 3 -1.669 -0.912 -2.898 1.00 0.00 N ATOM 26 CA VAL A 3 -3.115 -0.729 -2.896 1.00 0.00 C ATOM 27 C VAL A 3 -3.526 0.399 -1.957 1.00 0.00 C ATOM 28 O VAL A 3 -3.099 0.444 -0.803 1.00 0.00 O ATOM 29 CB VAL A 3 -3.844 -2.021 -2.480 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.351 -2.498 -1.122 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.349 -1.801 -2.463 1.00 0.00 C ATOM 0 H VAL A 3 -1.226 -0.774 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.402 -0.471 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.622 -2.796 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.877 -3.411 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.280 -2.697 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.542 -1.728 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.848 -2.724 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.593 -1.012 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.685 -1.509 -3.458 1.00 0.00 H new ATOM 41 N GLN A 4 -4.358 1.306 -2.458 1.00 0.00 N ATOM 42 CA GLN A 4 -4.826 2.434 -1.662 1.00 0.00 C ATOM 43 C GLN A 4 -6.348 2.432 -1.556 1.00 0.00 C ATOM 44 O GLN A 4 -7.045 2.029 -2.488 1.00 0.00 O ATOM 45 CB GLN A 4 -4.349 3.752 -2.276 1.00 0.00 C ATOM 46 CG GLN A 4 -3.130 4.339 -1.583 1.00 0.00 C ATOM 47 CD GLN A 4 -1.897 3.468 -1.732 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.516 3.099 -2.843 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.267 3.136 -0.611 1.00 0.00 N ATOM 0 H GLN A 4 -4.722 1.282 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.409 2.336 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.116 3.590 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.162 4.477 -2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.924 5.327 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.349 4.474 -0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.619 3.465 0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.431 2.552 -0.649 1.00 0.00 H new ATOM 58 N VAL A 5 -6.858 2.884 -0.415 1.00 0.00 N ATOM 59 CA VAL A 5 -8.297 2.934 -0.187 1.00 0.00 C ATOM 60 C VAL A 5 -8.762 4.361 0.079 1.00 0.00 C ATOM 61 O VAL A 5 -8.294 5.014 1.013 1.00 0.00 O ATOM 62 CB VAL A 5 -8.709 2.041 0.999 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.933 2.424 2.250 1.00 0.00 C ATOM 64 CG2 VAL A 5 -10.208 2.136 1.241 1.00 0.00 C ATOM 0 H VAL A 5 -6.296 3.221 0.366 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.774 2.563 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.469 1.006 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.237 1.783 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.865 2.300 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.140 3.464 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.482 1.499 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.476 3.169 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.742 1.809 0.349 1.00 0.00 H new ATOM 74 N VAL A 6 -9.686 4.841 -0.747 1.00 0.00 N ATOM 75 CA VAL A 6 -10.216 6.191 -0.600 1.00 0.00 C ATOM 76 C VAL A 6 -11.657 6.164 -0.101 1.00 0.00 C ATOM 77 O VAL A 6 -12.592 5.970 -0.878 1.00 0.00 O ATOM 78 CB VAL A 6 -10.160 6.964 -1.930 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.524 8.425 -1.715 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.781 6.838 -2.561 1.00 0.00 C ATOM 0 H VAL A 6 -10.083 4.315 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.589 6.699 0.133 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.889 6.529 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.479 8.955 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.534 8.493 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.821 8.876 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.759 7.390 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.032 7.246 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.563 5.787 -2.753 1.00 0.00 H new ATOM 90 N THR A 7 -11.830 6.362 1.202 1.00 0.00 N ATOM 91 CA THR A 7 -13.156 6.360 1.806 1.00 0.00 C ATOM 92 C THR A 7 -14.103 7.288 1.055 1.00 0.00 C ATOM 93 O THR A 7 -13.762 8.434 0.760 1.00 0.00 O ATOM 94 CB THR A 7 -13.101 6.788 3.285 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.924 6.258 3.905 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.335 6.308 4.034 1.00 0.00 C ATOM 0 H THR A 7 -11.068 6.526 1.859 1.00 0.00 H new ATOM 0 HA THR A 7 -13.529 5.338 1.745 1.00 0.00 H new ATOM 0 HB THR A 7 -13.073 7.877 3.324 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.896 6.536 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.273 6.622 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.227 6.737 3.578 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.390 5.220 3.986 1.00 0.00 H new ATOM 104 N LEU A 8 -15.295 6.788 0.749 1.00 0.00 N ATOM 105 CA LEU A 8 -16.294 7.574 0.032 1.00 0.00 C ATOM 106 C LEU A 8 -17.550 7.759 0.878 1.00 0.00 C ATOM 107 O LEU A 8 -18.058 8.872 1.016 1.00 0.00 O ATOM 108 CB LEU A 8 -16.652 6.895 -1.291 1.00 0.00 C ATOM 109 CG LEU A 8 -15.514 6.757 -2.304 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.712 5.518 -3.163 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.420 8.002 -3.173 1.00 0.00 C ATOM 0 H LEU A 8 -15.594 5.842 0.986 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.869 8.556 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.040 5.900 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.461 7.457 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.577 6.649 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.893 5.436 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.728 4.633 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.657 5.595 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.605 7.886 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.358 8.142 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.230 8.871 -2.544 1.00 0.00 H new ATOM 123 N ALA A 9 -18.044 6.663 1.443 1.00 0.00 N ATOM 124 CA ALA A 9 -19.238 6.706 2.278 1.00 0.00 C ATOM 125 C ALA A 9 -19.072 5.833 3.518 1.00 0.00 C ATOM 126 O ALA A 9 -19.156 4.608 3.441 1.00 0.00 O ATOM 127 CB ALA A 9 -20.456 6.266 1.480 1.00 0.00 C ATOM 0 H ALA A 9 -17.636 5.734 1.338 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.385 7.735 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.340 6.303 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.593 6.932 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.308 5.247 1.123 1.00 0.00 H new ATOM 133 N ALA A 10 -18.836 6.473 4.659 1.00 0.00 N ATOM 134 CA ALA A 10 -18.661 5.754 5.915 1.00 0.00 C ATOM 135 C ALA A 10 -19.810 4.782 6.157 1.00 0.00 C ATOM 136 O ALA A 10 -20.951 5.049 5.782 1.00 0.00 O ATOM 137 CB ALA A 10 -18.543 6.735 7.072 1.00 0.00 C ATOM 0 H ALA A 10 -18.762 7.487 4.739 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.740 5.175 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.413 6.185 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.683 7.385 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.449 7.339 7.131 1.00 0.00 H new ATOM 143 N GLY A 11 -19.502 3.653 6.787 1.00 0.00 N ATOM 144 CA GLY A 11 -20.520 2.658 7.068 1.00 0.00 C ATOM 145 C GLY A 11 -20.610 2.320 8.543 1.00 0.00 C ATOM 146 O GLY A 11 -20.729 3.211 9.384 1.00 0.00 O ATOM 0 H GLY A 11 -18.565 3.409 7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.487 3.025 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.303 1.751 6.503 1.00 0.00 H new ATOM 150 N ASP A 12 -20.555 1.031 8.857 1.00 0.00 N ATOM 151 CA ASP A 12 -20.631 0.577 10.241 1.00 0.00 C ATOM 152 C ASP A 12 -19.365 0.948 11.005 1.00 0.00 C ATOM 153 O ASP A 12 -19.423 1.327 12.175 1.00 0.00 O ATOM 154 CB ASP A 12 -20.848 -0.936 10.293 1.00 0.00 C ATOM 155 CG ASP A 12 -21.403 -1.396 11.626 1.00 0.00 C ATOM 156 OD1 ASP A 12 -21.699 -0.530 12.476 1.00 0.00 O ATOM 157 OD2 ASP A 12 -21.541 -2.622 11.821 1.00 0.00 O ATOM 0 H ASP A 12 -20.458 0.281 8.172 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.478 1.074 10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.533 -1.229 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.902 -1.443 10.102 1.00 0.00 H new ATOM 162 N GLU A 13 -18.221 0.836 10.336 1.00 0.00 N ATOM 163 CA GLU A 13 -16.941 1.158 10.955 1.00 0.00 C ATOM 164 C GLU A 13 -16.779 0.426 12.284 1.00 0.00 C ATOM 165 O GLU A 13 -16.115 0.916 13.197 1.00 0.00 O ATOM 166 CB GLU A 13 -16.820 2.668 11.173 1.00 0.00 C ATOM 167 CG GLU A 13 -16.624 3.455 9.889 1.00 0.00 C ATOM 168 CD GLU A 13 -17.029 4.910 10.029 1.00 0.00 C ATOM 169 OE1 GLU A 13 -18.213 5.170 10.328 1.00 0.00 O ATOM 170 OE2 GLU A 13 -16.162 5.788 9.839 1.00 0.00 O ATOM 0 H GLU A 13 -18.155 0.525 9.367 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.149 0.831 10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.718 3.027 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.981 2.864 11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.577 3.400 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.208 2.994 9.092 1.00 0.00 H new ATOM 177 N ALA A 14 -17.391 -0.749 12.383 1.00 0.00 N ATOM 178 CA ALA A 14 -17.314 -1.550 13.599 1.00 0.00 C ATOM 179 C ALA A 14 -17.090 -3.023 13.273 1.00 0.00 C ATOM 180 O ALA A 14 -16.314 -3.707 13.941 1.00 0.00 O ATOM 181 CB ALA A 14 -18.579 -1.377 14.426 1.00 0.00 C ATOM 0 H ALA A 14 -17.946 -1.168 11.636 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.462 -1.200 14.181 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.508 -1.981 15.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.695 -0.328 14.698 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.442 -1.698 13.843 1.00 0.00 H new ATOM 187 N THR A 15 -17.775 -3.507 12.242 1.00 0.00 N ATOM 188 CA THR A 15 -17.652 -4.899 11.829 1.00 0.00 C ATOM 189 C THR A 15 -16.719 -5.037 10.631 1.00 0.00 C ATOM 190 O THR A 15 -17.051 -4.618 9.522 1.00 0.00 O ATOM 191 CB THR A 15 -19.024 -5.501 11.468 1.00 0.00 C ATOM 192 OG1 THR A 15 -20.067 -4.768 12.120 1.00 0.00 O ATOM 193 CG2 THR A 15 -19.096 -6.965 11.875 1.00 0.00 C ATOM 0 H THR A 15 -18.421 -2.955 11.678 1.00 0.00 H new ATOM 0 HA THR A 15 -17.235 -5.444 12.676 1.00 0.00 H new ATOM 0 HB THR A 15 -19.153 -5.433 10.388 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.310 -3.990 11.575 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.073 -7.369 11.610 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.319 -7.526 11.355 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.947 -7.051 12.951 1.00 0.00 H new ATOM 201 N TYR A 16 -15.552 -5.627 10.862 1.00 0.00 N ATOM 202 CA TYR A 16 -14.570 -5.818 9.801 1.00 0.00 C ATOM 203 C TYR A 16 -14.351 -7.302 9.523 1.00 0.00 C ATOM 204 O TYR A 16 -14.547 -8.158 10.386 1.00 0.00 O ATOM 205 CB TYR A 16 -13.243 -5.158 10.181 1.00 0.00 C ATOM 206 CG TYR A 16 -13.342 -3.660 10.362 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.949 -3.115 11.487 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.829 -2.790 9.408 1.00 0.00 C ATOM 209 CE1 TYR A 16 -14.043 -1.748 11.656 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.916 -1.421 9.570 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.524 -0.905 10.695 1.00 0.00 C ATOM 212 OH TYR A 16 -13.615 0.459 10.859 1.00 0.00 O ATOM 0 H TYR A 16 -15.263 -5.981 11.774 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.955 -5.350 8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.877 -5.604 11.106 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.505 -5.374 9.409 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.354 -3.772 12.242 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.354 -3.191 8.525 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.520 -1.341 12.535 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.510 -0.758 8.820 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.200 0.909 10.094 1.00 0.00 H new ATOM 222 N PRO A 17 -13.933 -7.616 8.287 1.00 0.00 N ATOM 223 CA PRO A 17 -13.677 -8.996 7.865 1.00 0.00 C ATOM 224 C PRO A 17 -12.444 -9.589 8.538 1.00 0.00 C ATOM 225 O PRO A 17 -11.543 -8.862 8.959 1.00 0.00 O ATOM 226 CB PRO A 17 -13.453 -8.870 6.356 1.00 0.00 C ATOM 227 CG PRO A 17 -12.983 -7.470 6.159 1.00 0.00 C ATOM 228 CD PRO A 17 -13.679 -6.647 7.208 1.00 0.00 C ATOM 0 HA PRO A 17 -14.496 -9.663 8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.713 -9.589 6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.372 -9.061 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.900 -7.403 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.227 -7.114 5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.056 -5.820 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.605 -6.214 6.830 1.00 0.00 H new ATOM 236 N LYS A 18 -12.409 -10.913 8.637 1.00 0.00 N ATOM 237 CA LYS A 18 -11.285 -11.605 9.258 1.00 0.00 C ATOM 238 C LYS A 18 -10.522 -12.434 8.230 1.00 0.00 C ATOM 239 O LYS A 18 -11.111 -12.981 7.299 1.00 0.00 O ATOM 240 CB LYS A 18 -11.778 -12.507 10.392 1.00 0.00 C ATOM 241 CG LYS A 18 -10.748 -12.726 11.487 1.00 0.00 C ATOM 242 CD LYS A 18 -11.046 -13.982 12.289 1.00 0.00 C ATOM 243 CE LYS A 18 -12.216 -13.772 13.238 1.00 0.00 C ATOM 244 NZ LYS A 18 -11.869 -12.846 14.351 1.00 0.00 N ATOM 0 H LYS A 18 -13.146 -11.529 8.295 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.609 -10.854 9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.674 -12.068 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.066 -13.473 9.977 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.755 -12.803 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.734 -11.863 12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.270 -14.804 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.162 -14.270 12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.065 -13.372 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.527 -14.733 13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.565 -12.948 15.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.921 -13.077 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.878 -11.866 14.003 1.00 0.00 H new ATOM 258 N ALA A 19 -9.208 -12.524 8.407 1.00 0.00 N ATOM 259 CA ALA A 19 -8.365 -13.290 7.497 1.00 0.00 C ATOM 260 C ALA A 19 -8.811 -14.746 7.430 1.00 0.00 C ATOM 261 O ALA A 19 -8.939 -15.414 8.455 1.00 0.00 O ATOM 262 CB ALA A 19 -6.908 -13.201 7.926 1.00 0.00 C ATOM 0 H ALA A 19 -8.704 -12.076 9.172 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.465 -12.861 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.290 -13.778 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.588 -12.159 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.800 -13.603 8.934 1.00 0.00 H new ATOM 268 N GLY A 20 -9.048 -15.233 6.215 1.00 0.00 N ATOM 269 CA GLY A 20 -9.478 -16.607 6.037 1.00 0.00 C ATOM 270 C GLY A 20 -10.983 -16.760 6.130 1.00 0.00 C ATOM 271 O GLY A 20 -11.510 -17.865 6.005 1.00 0.00 O ATOM 0 H GLY A 20 -8.950 -14.700 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.139 -16.968 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.005 -17.233 6.793 1.00 0.00 H new ATOM 275 N GLN A 21 -11.677 -15.648 6.352 1.00 0.00 N ATOM 276 CA GLN A 21 -13.131 -15.665 6.465 1.00 0.00 C ATOM 277 C GLN A 21 -13.782 -15.175 5.176 1.00 0.00 C ATOM 278 O GLN A 21 -13.141 -14.520 4.354 1.00 0.00 O ATOM 279 CB GLN A 21 -13.582 -14.796 7.640 1.00 0.00 C ATOM 280 CG GLN A 21 -14.401 -15.551 8.675 1.00 0.00 C ATOM 281 CD GLN A 21 -15.425 -14.670 9.364 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.576 -15.065 9.549 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.010 -13.469 9.749 1.00 0.00 N ATOM 0 H GLN A 21 -11.256 -14.725 6.457 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.445 -16.694 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -12.703 -14.370 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.172 -13.962 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.911 -16.385 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.732 -15.977 9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.047 -13.182 9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.655 -12.833 10.218 1.00 0.00 H new ATOM 292 N VAL A 22 -15.060 -15.498 5.004 1.00 0.00 N ATOM 293 CA VAL A 22 -15.799 -15.091 3.815 1.00 0.00 C ATOM 294 C VAL A 22 -16.386 -13.694 3.985 1.00 0.00 C ATOM 295 O VAL A 22 -16.842 -13.329 5.068 1.00 0.00 O ATOM 296 CB VAL A 22 -16.937 -16.078 3.496 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.553 -15.763 2.141 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.426 -17.511 3.537 1.00 0.00 C ATOM 0 H VAL A 22 -15.605 -16.041 5.674 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.090 -15.086 2.987 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.712 -15.970 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.355 -16.471 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.956 -14.750 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.790 -15.842 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.243 -18.195 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.632 -17.636 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.036 -17.730 4.531 1.00 0.00 H new ATOM 308 N ALA A 23 -16.370 -12.917 2.907 1.00 0.00 N ATOM 309 CA ALA A 23 -16.903 -11.560 2.935 1.00 0.00 C ATOM 310 C ALA A 23 -17.601 -11.217 1.623 1.00 0.00 C ATOM 311 O ALA A 23 -17.133 -11.584 0.545 1.00 0.00 O ATOM 312 CB ALA A 23 -15.791 -10.562 3.221 1.00 0.00 C ATOM 0 H ALA A 23 -15.994 -13.204 2.003 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.642 -11.503 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.203 -9.553 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.340 -10.787 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.032 -10.630 2.442 1.00 0.00 H new ATOM 318 N VAL A 24 -18.723 -10.511 1.722 1.00 0.00 N ATOM 319 CA VAL A 24 -19.485 -10.118 0.543 1.00 0.00 C ATOM 320 C VAL A 24 -19.483 -8.604 0.367 1.00 0.00 C ATOM 321 O VAL A 24 -19.874 -7.862 1.268 1.00 0.00 O ATOM 322 CB VAL A 24 -20.942 -10.612 0.626 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.626 -10.486 -0.727 1.00 0.00 C ATOM 324 CG2 VAL A 24 -20.990 -12.048 1.125 1.00 0.00 C ATOM 0 H VAL A 24 -19.124 -10.200 2.607 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.000 -10.582 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.480 -9.986 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.654 -10.840 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.624 -9.442 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.091 -11.086 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.027 -12.380 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.437 -12.690 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.540 -12.104 2.116 1.00 0.00 H new ATOM 334 N VAL A 25 -19.040 -8.150 -0.801 1.00 0.00 N ATOM 335 CA VAL A 25 -18.988 -6.724 -1.098 1.00 0.00 C ATOM 336 C VAL A 25 -19.305 -6.455 -2.564 1.00 0.00 C ATOM 337 O VAL A 25 -19.355 -7.377 -3.379 1.00 0.00 O ATOM 338 CB VAL A 25 -17.605 -6.131 -0.766 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.102 -6.665 0.567 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.615 -6.435 -1.879 1.00 0.00 C ATOM 0 H VAL A 25 -18.712 -8.750 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.741 -6.244 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.703 -5.049 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.124 -6.236 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.803 -6.392 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.018 -7.751 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.644 -6.009 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.519 -7.514 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.972 -6.000 -2.812 1.00 0.00 H new ATOM 350 N HIS A 26 -19.518 -5.185 -2.895 1.00 0.00 N ATOM 351 CA HIS A 26 -19.829 -4.794 -4.266 1.00 0.00 C ATOM 352 C HIS A 26 -18.633 -4.108 -4.919 1.00 0.00 C ATOM 353 O HIS A 26 -18.101 -3.131 -4.392 1.00 0.00 O ATOM 354 CB HIS A 26 -21.042 -3.864 -4.290 1.00 0.00 C ATOM 355 CG HIS A 26 -22.345 -4.584 -4.449 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.593 -5.476 -5.470 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.477 -4.540 -3.707 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.821 -5.949 -5.351 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.378 -5.397 -4.289 1.00 0.00 N ATOM 0 H HIS A 26 -19.481 -4.410 -2.233 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.061 -5.696 -4.832 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.066 -3.287 -3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.928 -3.152 -5.107 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -21.932 -5.731 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.641 -3.942 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.289 -6.665 -6.010 1.00 0.00 H new ATOM 367 N TYR A 27 -18.216 -4.626 -6.069 1.00 0.00 N ATOM 368 CA TYR A 27 -17.081 -4.065 -6.793 1.00 0.00 C ATOM 369 C TYR A 27 -17.544 -3.337 -8.052 1.00 0.00 C ATOM 370 O TYR A 27 -18.428 -3.809 -8.767 1.00 0.00 O ATOM 371 CB TYR A 27 -16.090 -5.169 -7.164 1.00 0.00 C ATOM 372 CG TYR A 27 -16.619 -6.135 -8.200 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.551 -5.838 -9.555 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.187 -7.346 -7.822 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.035 -6.718 -10.504 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.672 -8.233 -8.765 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.594 -7.914 -10.104 1.00 0.00 C ATOM 378 OH TYR A 27 -18.075 -8.793 -11.047 1.00 0.00 O ATOM 0 H TYR A 27 -18.647 -5.433 -6.520 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.586 -3.346 -6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.174 -4.712 -7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.824 -5.724 -6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.112 -4.903 -9.872 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.251 -7.598 -6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.976 -6.471 -11.554 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.109 -9.170 -8.455 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.435 -9.588 -10.600 1.00 0.00 H new ATOM 388 N THR A 28 -16.939 -2.184 -8.317 1.00 0.00 N ATOM 389 CA THR A 28 -17.287 -1.389 -9.487 1.00 0.00 C ATOM 390 C THR A 28 -16.039 -0.924 -10.228 1.00 0.00 C ATOM 391 O THR A 28 -15.133 -0.341 -9.634 1.00 0.00 O ATOM 392 CB THR A 28 -18.129 -0.158 -9.101 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.177 -0.543 -8.204 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.727 0.498 -10.336 1.00 0.00 C ATOM 0 H THR A 28 -16.205 -1.780 -7.736 1.00 0.00 H new ATOM 0 HA THR A 28 -17.876 -2.032 -10.141 1.00 0.00 H new ATOM 0 HB THR A 28 -17.475 0.561 -8.608 1.00 0.00 H new ATOM 0 HG1 THR A 28 -20.009 -0.666 -8.707 1.00 0.00 H new ATOM 0 HG21 THR A 28 -19.317 1.365 -10.038 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.926 0.816 -11.003 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.367 -0.216 -10.853 1.00 0.00 H new ATOM 402 N GLY A 29 -15.997 -1.187 -11.531 1.00 0.00 N ATOM 403 CA GLY A 29 -14.854 -0.788 -12.332 1.00 0.00 C ATOM 404 C GLY A 29 -14.710 0.718 -12.426 1.00 0.00 C ATOM 405 O GLY A 29 -15.704 1.442 -12.493 1.00 0.00 O ATOM 0 H GLY A 29 -16.734 -1.669 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.947 -1.211 -11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.954 -1.204 -13.335 1.00 0.00 H new ATOM 409 N THR A 30 -13.468 1.193 -12.431 1.00 0.00 N ATOM 410 CA THR A 30 -13.197 2.623 -12.515 1.00 0.00 C ATOM 411 C THR A 30 -11.718 2.887 -12.771 1.00 0.00 C ATOM 412 O THR A 30 -10.850 2.254 -12.168 1.00 0.00 O ATOM 413 CB THR A 30 -13.623 3.352 -11.227 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.152 2.413 -10.284 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.665 4.418 -11.528 1.00 0.00 C ATOM 0 H THR A 30 -12.634 0.608 -12.378 1.00 0.00 H new ATOM 0 HA THR A 30 -13.782 3.008 -13.351 1.00 0.00 H new ATOM 0 HB THR A 30 -12.744 3.836 -10.802 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.425 2.064 -9.727 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.950 4.919 -10.603 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.249 5.148 -12.223 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.544 3.952 -11.974 1.00 0.00 H new ATOM 423 N LEU A 31 -11.436 3.827 -13.666 1.00 0.00 N ATOM 424 CA LEU A 31 -10.060 4.177 -14.001 1.00 0.00 C ATOM 425 C LEU A 31 -9.615 5.424 -13.244 1.00 0.00 C ATOM 426 O LEU A 31 -10.442 6.208 -12.780 1.00 0.00 O ATOM 427 CB LEU A 31 -9.923 4.406 -15.508 1.00 0.00 C ATOM 428 CG LEU A 31 -9.828 3.148 -16.372 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.723 3.517 -17.843 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.639 2.298 -15.947 1.00 0.00 C ATOM 0 H LEU A 31 -12.142 4.361 -14.173 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.419 3.347 -13.706 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.779 4.991 -15.846 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.034 5.011 -15.684 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.737 2.563 -16.230 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.656 2.609 -18.442 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.606 4.084 -18.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.832 4.124 -18.003 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.587 1.407 -16.572 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.721 2.875 -16.059 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.757 2.003 -14.904 1.00 0.00 H new ATOM 442 N ALA A 32 -8.303 5.600 -13.123 1.00 0.00 N ATOM 443 CA ALA A 32 -7.749 6.754 -12.426 1.00 0.00 C ATOM 444 C ALA A 32 -8.216 8.058 -13.064 1.00 0.00 C ATOM 445 O ALA A 32 -8.214 9.109 -12.423 1.00 0.00 O ATOM 446 CB ALA A 32 -6.229 6.684 -12.416 1.00 0.00 C ATOM 0 H ALA A 32 -7.605 4.958 -13.498 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.110 6.734 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.828 7.552 -11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.910 5.774 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.858 6.676 -13.441 1.00 0.00 H new ATOM 452 N ASP A 33 -8.615 7.982 -14.328 1.00 0.00 N ATOM 453 CA ASP A 33 -9.086 9.157 -15.053 1.00 0.00 C ATOM 454 C ASP A 33 -10.544 9.455 -14.717 1.00 0.00 C ATOM 455 O ASP A 33 -11.045 10.544 -14.992 1.00 0.00 O ATOM 456 CB ASP A 33 -8.929 8.950 -16.560 1.00 0.00 C ATOM 457 CG ASP A 33 -7.525 8.524 -16.943 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.584 8.826 -16.179 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.368 7.888 -18.006 1.00 0.00 O ATOM 0 H ASP A 33 -8.622 7.120 -14.873 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.480 10.009 -14.746 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.639 8.194 -16.896 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.179 9.875 -17.079 1.00 0.00 H new ATOM 464 N GLY A 34 -11.220 8.477 -14.121 1.00 0.00 N ATOM 465 CA GLY A 34 -12.614 8.654 -13.758 1.00 0.00 C ATOM 466 C GLY A 34 -13.544 7.800 -14.597 1.00 0.00 C ATOM 467 O GLY A 34 -14.708 7.607 -14.245 1.00 0.00 O ATOM 0 H GLY A 34 -10.827 7.566 -13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.747 8.404 -12.705 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.886 9.703 -13.873 1.00 0.00 H new ATOM 471 N LYS A 35 -13.031 7.286 -15.710 1.00 0.00 N ATOM 472 CA LYS A 35 -13.823 6.448 -16.602 1.00 0.00 C ATOM 473 C LYS A 35 -14.484 5.308 -15.833 1.00 0.00 C ATOM 474 O LYS A 35 -13.806 4.495 -15.205 1.00 0.00 O ATOM 475 CB LYS A 35 -12.942 5.881 -17.718 1.00 0.00 C ATOM 476 CG LYS A 35 -13.264 6.443 -19.092 1.00 0.00 C ATOM 477 CD LYS A 35 -14.702 6.152 -19.490 1.00 0.00 C ATOM 478 CE LYS A 35 -14.966 6.531 -20.939 1.00 0.00 C ATOM 479 NZ LYS A 35 -16.420 6.512 -21.261 1.00 0.00 N ATOM 0 H LYS A 35 -12.069 7.435 -16.016 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.605 7.067 -17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.897 6.088 -17.486 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.054 4.797 -17.743 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.096 7.520 -19.094 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.587 6.013 -19.830 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.913 5.093 -19.345 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.380 6.704 -18.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.564 7.525 -21.133 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.439 5.840 -21.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.558 6.776 -22.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.799 5.557 -21.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.920 7.190 -20.651 1.00 0.00 H new ATOM 493 N VAL A 36 -15.811 5.254 -15.889 1.00 0.00 N ATOM 494 CA VAL A 36 -16.563 4.212 -15.201 1.00 0.00 C ATOM 495 C VAL A 36 -16.591 2.924 -16.016 1.00 0.00 C ATOM 496 O VAL A 36 -16.676 2.956 -17.244 1.00 0.00 O ATOM 497 CB VAL A 36 -18.010 4.659 -14.917 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.819 4.698 -16.205 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.661 3.738 -13.897 1.00 0.00 C ATOM 0 H VAL A 36 -16.387 5.920 -16.404 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.055 4.028 -14.254 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.986 5.666 -14.500 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.838 5.016 -15.985 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.362 5.402 -16.901 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.837 3.705 -16.653 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.682 4.068 -13.708 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.675 2.719 -14.284 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.093 3.766 -12.967 1.00 0.00 H new ATOM 509 N PHE A 37 -16.520 1.792 -15.325 1.00 0.00 N ATOM 510 CA PHE A 37 -16.536 0.491 -15.985 1.00 0.00 C ATOM 511 C PHE A 37 -17.689 -0.366 -15.469 1.00 0.00 C ATOM 512 O PHE A 37 -18.510 0.092 -14.674 1.00 0.00 O ATOM 513 CB PHE A 37 -15.207 -0.234 -15.762 1.00 0.00 C ATOM 514 CG PHE A 37 -14.204 0.003 -16.855 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.505 1.197 -16.924 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.962 -0.968 -17.813 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.581 1.418 -17.929 1.00 0.00 C ATOM 518 CE2 PHE A 37 -13.039 -0.753 -18.819 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.349 0.442 -18.878 1.00 0.00 C ATOM 0 H PHE A 37 -16.451 1.748 -14.308 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.678 0.655 -17.053 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.781 0.089 -14.812 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.396 -1.304 -15.679 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.684 1.964 -16.185 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.501 -1.903 -17.773 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.042 2.353 -17.972 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.857 -1.519 -19.558 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.629 0.613 -19.665 1.00 0.00 H new ATOM 529 N ASP A 38 -17.743 -1.611 -15.928 1.00 0.00 N ATOM 530 CA ASP A 38 -18.794 -2.533 -15.514 1.00 0.00 C ATOM 531 C ASP A 38 -18.826 -2.675 -13.996 1.00 0.00 C ATOM 532 O ASP A 38 -17.782 -2.726 -13.345 1.00 0.00 O ATOM 533 CB ASP A 38 -18.584 -3.903 -16.162 1.00 0.00 C ATOM 534 CG ASP A 38 -19.858 -4.725 -16.203 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.113 -5.472 -15.235 1.00 0.00 O ATOM 536 OD2 ASP A 38 -20.599 -4.622 -17.203 1.00 0.00 O ATOM 0 H ASP A 38 -17.071 -2.005 -16.587 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.750 -2.126 -15.843 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.209 -3.768 -17.177 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.820 -4.450 -15.610 1.00 0.00 H new ATOM 541 N SER A 39 -20.030 -2.736 -13.437 1.00 0.00 N ATOM 542 CA SER A 39 -20.198 -2.866 -11.994 1.00 0.00 C ATOM 543 C SER A 39 -21.027 -4.101 -11.653 1.00 0.00 C ATOM 544 O SER A 39 -21.969 -4.445 -12.365 1.00 0.00 O ATOM 545 CB SER A 39 -20.867 -1.614 -11.422 1.00 0.00 C ATOM 546 OG SER A 39 -20.724 -1.558 -10.014 1.00 0.00 O ATOM 0 H SER A 39 -20.904 -2.697 -13.961 1.00 0.00 H new ATOM 0 HA SER A 39 -19.210 -2.978 -11.546 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.425 -0.724 -11.871 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.925 -1.611 -11.684 1.00 0.00 H new ATOM 0 HG SER A 39 -20.093 -2.249 -9.722 1.00 0.00 H new ATOM 552 N SER A 40 -20.667 -4.763 -10.558 1.00 0.00 N ATOM 553 CA SER A 40 -21.374 -5.962 -10.123 1.00 0.00 C ATOM 554 C SER A 40 -22.668 -5.598 -9.401 1.00 0.00 C ATOM 555 O SER A 40 -23.587 -6.411 -9.303 1.00 0.00 O ATOM 556 CB SER A 40 -20.482 -6.800 -9.204 1.00 0.00 C ATOM 557 OG SER A 40 -21.016 -6.862 -7.893 1.00 0.00 O ATOM 0 H SER A 40 -19.890 -4.489 -9.956 1.00 0.00 H new ATOM 0 HA SER A 40 -21.625 -6.548 -11.008 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.383 -7.808 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.481 -6.370 -9.172 1.00 0.00 H new ATOM 0 HG SER A 40 -21.474 -7.719 -7.767 1.00 0.00 H new ATOM 563 N ARG A 41 -22.731 -4.370 -8.897 1.00 0.00 N ATOM 564 CA ARG A 41 -23.911 -3.897 -8.182 1.00 0.00 C ATOM 565 C ARG A 41 -25.004 -3.473 -9.159 1.00 0.00 C ATOM 566 O ARG A 41 -26.184 -3.431 -8.808 1.00 0.00 O ATOM 567 CB ARG A 41 -23.545 -2.726 -7.269 1.00 0.00 C ATOM 568 CG ARG A 41 -22.865 -1.576 -7.995 1.00 0.00 C ATOM 569 CD ARG A 41 -23.185 -0.240 -7.344 1.00 0.00 C ATOM 570 NE ARG A 41 -24.599 0.103 -7.464 1.00 0.00 N ATOM 571 CZ ARG A 41 -25.122 1.236 -7.009 1.00 0.00 C ATOM 572 NH1 ARG A 41 -24.351 2.131 -6.407 1.00 0.00 N ATOM 573 NH2 ARG A 41 -26.419 1.477 -7.156 1.00 0.00 N ATOM 0 H ARG A 41 -21.979 -3.685 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 41 -24.290 -4.718 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -24.450 -2.356 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -22.887 -3.085 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -21.786 -1.732 -7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -23.186 -1.561 -9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -22.909 -0.275 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -22.582 0.542 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 41 -25.219 -0.564 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -23.354 1.950 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -24.755 3.000 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -27.016 0.792 -7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -26.819 2.348 -6.806 1.00 0.00 H new ATOM 587 N THR A 42 -24.604 -3.157 -10.387 1.00 0.00 N ATOM 588 CA THR A 42 -25.548 -2.734 -11.413 1.00 0.00 C ATOM 589 C THR A 42 -26.711 -3.713 -11.528 1.00 0.00 C ATOM 590 O THR A 42 -27.820 -3.333 -11.903 1.00 0.00 O ATOM 591 CB THR A 42 -24.864 -2.605 -12.787 1.00 0.00 C ATOM 592 OG1 THR A 42 -25.682 -1.830 -13.671 1.00 0.00 O ATOM 593 CG2 THR A 42 -24.607 -3.975 -13.395 1.00 0.00 C ATOM 0 H THR A 42 -23.632 -3.186 -10.695 1.00 0.00 H new ATOM 0 HA THR A 42 -25.927 -1.758 -11.110 1.00 0.00 H new ATOM 0 HB THR A 42 -23.907 -2.103 -12.646 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.239 -1.751 -14.542 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.123 -3.858 -14.365 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.959 -4.551 -12.734 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.554 -4.500 -13.523 1.00 0.00 H new ATOM 601 N ARG A 43 -26.450 -4.975 -11.201 1.00 0.00 N ATOM 602 CA ARG A 43 -27.476 -6.009 -11.268 1.00 0.00 C ATOM 603 C ARG A 43 -27.907 -6.439 -9.869 1.00 0.00 C ATOM 604 O ARG A 43 -28.936 -7.090 -9.698 1.00 0.00 O ATOM 605 CB ARG A 43 -26.960 -7.219 -12.049 1.00 0.00 C ATOM 606 CG ARG A 43 -26.720 -6.937 -13.523 1.00 0.00 C ATOM 607 CD ARG A 43 -26.449 -8.216 -14.298 1.00 0.00 C ATOM 608 NE ARG A 43 -27.573 -9.147 -14.229 1.00 0.00 N ATOM 609 CZ ARG A 43 -27.573 -10.343 -14.807 1.00 0.00 C ATOM 610 NH1 ARG A 43 -26.515 -10.751 -15.493 1.00 0.00 N ATOM 611 NH2 ARG A 43 -28.634 -11.133 -14.699 1.00 0.00 N ATOM 0 H ARG A 43 -25.537 -5.306 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 43 -28.342 -5.594 -11.784 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -26.029 -7.562 -11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -27.678 -8.034 -11.956 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -27.590 -6.432 -13.944 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -25.874 -6.258 -13.632 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -26.244 -7.972 -15.340 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -25.555 -8.697 -13.902 1.00 0.00 H new ATOM 0 HE ARG A 43 -28.403 -8.863 -13.709 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -25.698 -10.146 -15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -26.518 -11.670 -15.936 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -29.450 -10.822 -14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -28.633 -12.051 -15.143 1.00 0.00 H new ATOM 625 N GLY A 44 -27.111 -6.069 -8.870 1.00 0.00 N ATOM 626 CA GLY A 44 -27.426 -6.425 -7.499 1.00 0.00 C ATOM 627 C GLY A 44 -26.782 -7.730 -7.076 1.00 0.00 C ATOM 628 O GLY A 44 -27.219 -8.365 -6.116 1.00 0.00 O ATOM 0 H GLY A 44 -26.254 -5.529 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -27.094 -5.627 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.507 -6.504 -7.387 1.00 0.00 H new ATOM 632 N LYS A 45 -25.740 -8.134 -7.795 1.00 0.00 N ATOM 633 CA LYS A 45 -25.033 -9.373 -7.490 1.00 0.00 C ATOM 634 C LYS A 45 -23.656 -9.083 -6.902 1.00 0.00 C ATOM 635 O LYS A 45 -22.666 -8.939 -7.619 1.00 0.00 O ATOM 636 CB LYS A 45 -24.891 -10.226 -8.753 1.00 0.00 C ATOM 637 CG LYS A 45 -24.405 -9.447 -9.962 1.00 0.00 C ATOM 638 CD LYS A 45 -23.683 -10.346 -10.952 1.00 0.00 C ATOM 639 CE LYS A 45 -24.663 -11.109 -11.830 1.00 0.00 C ATOM 640 NZ LYS A 45 -23.980 -11.773 -12.975 1.00 0.00 N ATOM 0 H LYS A 45 -25.366 -7.621 -8.594 1.00 0.00 H new ATOM 0 HA LYS A 45 -25.615 -9.923 -6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -24.196 -11.042 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -25.855 -10.678 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -25.253 -8.970 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.736 -8.650 -9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.024 -9.744 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.052 -11.051 -10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.180 -11.859 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.422 -10.424 -12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.681 -12.282 -13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.508 -11.055 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.273 -12.446 -12.615 1.00 0.00 H new ATOM 654 N PRO A 46 -23.590 -8.996 -5.565 1.00 0.00 N ATOM 655 CA PRO A 46 -22.339 -8.724 -4.851 1.00 0.00 C ATOM 656 C PRO A 46 -21.365 -9.896 -4.921 1.00 0.00 C ATOM 657 O PRO A 46 -21.776 -11.056 -4.967 1.00 0.00 O ATOM 658 CB PRO A 46 -22.796 -8.495 -3.408 1.00 0.00 C ATOM 659 CG PRO A 46 -24.080 -9.242 -3.295 1.00 0.00 C ATOM 660 CD PRO A 46 -24.731 -9.156 -4.648 1.00 0.00 C ATOM 0 HA PRO A 46 -21.800 -7.880 -5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -22.059 -8.865 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -22.935 -7.434 -3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -23.904 -10.280 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -24.718 -8.806 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -25.306 -10.053 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -25.418 -8.312 -4.711 1.00 0.00 H new ATOM 668 N PHE A 47 -20.073 -9.586 -4.928 1.00 0.00 N ATOM 669 CA PHE A 47 -19.041 -10.614 -4.993 1.00 0.00 C ATOM 670 C PHE A 47 -18.646 -11.078 -3.594 1.00 0.00 C ATOM 671 O PHE A 47 -18.249 -10.273 -2.751 1.00 0.00 O ATOM 672 CB PHE A 47 -17.810 -10.085 -5.733 1.00 0.00 C ATOM 673 CG PHE A 47 -17.039 -11.154 -6.454 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.560 -11.758 -7.587 1.00 0.00 C ATOM 675 CD2 PHE A 47 -15.794 -11.554 -5.998 1.00 0.00 C ATOM 676 CE1 PHE A 47 -16.853 -12.741 -8.252 1.00 0.00 C ATOM 677 CE2 PHE A 47 -15.082 -12.537 -6.660 1.00 0.00 C ATOM 678 CZ PHE A 47 -15.612 -13.132 -7.788 1.00 0.00 C ATOM 0 H PHE A 47 -19.716 -8.631 -4.889 1.00 0.00 H new ATOM 0 HA PHE A 47 -19.447 -11.466 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.125 -9.328 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.151 -9.592 -5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -18.530 -11.457 -7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.375 -11.093 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.270 -13.204 -9.134 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.112 -12.840 -6.295 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.058 -13.901 -8.306 1.00 0.00 H new ATOM 688 N ARG A 48 -18.759 -12.380 -3.355 1.00 0.00 N ATOM 689 CA ARG A 48 -18.416 -12.951 -2.058 1.00 0.00 C ATOM 690 C ARG A 48 -17.270 -13.950 -2.190 1.00 0.00 C ATOM 691 O ARG A 48 -17.250 -14.771 -3.107 1.00 0.00 O ATOM 692 CB ARG A 48 -19.636 -13.638 -1.441 1.00 0.00 C ATOM 693 CG ARG A 48 -20.245 -14.711 -2.328 1.00 0.00 C ATOM 694 CD ARG A 48 -20.584 -15.963 -1.535 1.00 0.00 C ATOM 695 NE ARG A 48 -20.651 -17.149 -2.385 1.00 0.00 N ATOM 696 CZ ARG A 48 -21.626 -17.371 -3.260 1.00 0.00 C ATOM 697 NH1 ARG A 48 -22.610 -16.494 -3.399 1.00 0.00 N ATOM 698 NH2 ARG A 48 -21.617 -18.474 -3.998 1.00 0.00 N ATOM 0 H ARG A 48 -19.085 -13.059 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.095 -12.139 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.348 -14.086 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.394 -12.886 -1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.147 -14.324 -2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.548 -14.963 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.833 -16.115 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.540 -15.824 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.909 -17.844 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.620 -15.645 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.357 -16.668 -4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.862 -19.151 -3.894 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.366 -18.644 -4.670 1.00 0.00 H new ATOM 712 N PHE A 49 -16.316 -13.873 -1.267 1.00 0.00 N ATOM 713 CA PHE A 49 -15.166 -14.769 -1.281 1.00 0.00 C ATOM 714 C PHE A 49 -14.448 -14.752 0.065 1.00 0.00 C ATOM 715 O PHE A 49 -14.796 -13.980 0.959 1.00 0.00 O ATOM 716 CB PHE A 49 -14.195 -14.369 -2.394 1.00 0.00 C ATOM 717 CG PHE A 49 -13.592 -13.007 -2.204 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.440 -12.844 -1.452 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.177 -11.889 -2.777 1.00 0.00 C ATOM 720 CE1 PHE A 49 -11.883 -11.591 -1.274 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.625 -10.634 -2.603 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.476 -10.485 -1.851 1.00 0.00 C ATOM 0 H PHE A 49 -16.317 -13.200 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.527 -15.780 -1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.395 -15.107 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.719 -14.395 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.972 -13.706 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.075 -12.000 -3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.985 -11.477 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.091 -9.771 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.042 -9.505 -1.714 1.00 0.00 H new ATOM 732 N THR A 50 -13.443 -15.612 0.204 1.00 0.00 N ATOM 733 CA THR A 50 -12.676 -15.698 1.440 1.00 0.00 C ATOM 734 C THR A 50 -11.399 -14.871 1.354 1.00 0.00 C ATOM 735 O THR A 50 -10.495 -15.184 0.578 1.00 0.00 O ATOM 736 CB THR A 50 -12.308 -17.157 1.772 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.498 -17.935 1.942 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.465 -17.228 3.036 1.00 0.00 C ATOM 0 H THR A 50 -13.142 -16.259 -0.525 1.00 0.00 H new ATOM 0 HA THR A 50 -13.309 -15.301 2.233 1.00 0.00 H new ATOM 0 HB THR A 50 -11.726 -17.560 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.256 -18.861 2.151 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.217 -18.268 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.547 -16.658 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.026 -16.809 3.871 1.00 0.00 H new ATOM 746 N VAL A 51 -11.328 -13.814 2.157 1.00 0.00 N ATOM 747 CA VAL A 51 -10.160 -12.942 2.173 1.00 0.00 C ATOM 748 C VAL A 51 -8.907 -13.710 2.578 1.00 0.00 C ATOM 749 O VAL A 51 -8.749 -14.094 3.736 1.00 0.00 O ATOM 750 CB VAL A 51 -10.356 -11.757 3.136 1.00 0.00 C ATOM 751 CG1 VAL A 51 -11.444 -10.826 2.623 1.00 0.00 C ATOM 752 CG2 VAL A 51 -10.687 -12.257 4.535 1.00 0.00 C ATOM 0 H VAL A 51 -12.066 -13.541 2.805 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.037 -12.560 1.160 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.424 -11.194 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.568 -9.995 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.162 -10.442 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.383 -11.374 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.822 -11.406 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.605 -12.844 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.871 -12.880 4.901 1.00 0.00 H new ATOM 762 N GLY A 52 -8.017 -13.931 1.615 1.00 0.00 N ATOM 763 CA GLY A 52 -6.788 -14.653 1.891 1.00 0.00 C ATOM 764 C GLY A 52 -6.616 -15.867 1.001 1.00 0.00 C ATOM 765 O GLY A 52 -5.522 -16.423 0.902 1.00 0.00 O ATOM 0 H GLY A 52 -8.125 -13.623 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.939 -13.983 1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.782 -14.968 2.935 1.00 0.00 H new ATOM 769 N ARG A 53 -7.700 -16.281 0.352 1.00 0.00 N ATOM 770 CA ARG A 53 -7.664 -17.440 -0.533 1.00 0.00 C ATOM 771 C ARG A 53 -7.109 -17.062 -1.902 1.00 0.00 C ATOM 772 O ARG A 53 -6.872 -15.888 -2.185 1.00 0.00 O ATOM 773 CB ARG A 53 -9.065 -18.035 -0.685 1.00 0.00 C ATOM 774 CG ARG A 53 -9.519 -18.842 0.520 1.00 0.00 C ATOM 775 CD ARG A 53 -8.664 -20.086 0.711 1.00 0.00 C ATOM 776 NE ARG A 53 -8.637 -20.921 -0.487 1.00 0.00 N ATOM 777 CZ ARG A 53 -7.920 -22.034 -0.591 1.00 0.00 C ATOM 778 NH1 ARG A 53 -7.173 -22.443 0.426 1.00 0.00 N ATOM 779 NH2 ARG A 53 -7.947 -22.740 -1.714 1.00 0.00 N ATOM 0 H ARG A 53 -8.613 -15.832 0.422 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.006 -18.186 -0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.776 -17.228 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.085 -18.674 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.467 -18.222 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.562 -19.132 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.647 -19.791 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.051 -20.666 1.549 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.200 -20.634 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.148 -21.902 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.623 -23.298 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.519 -22.428 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.396 -23.595 -1.792 1.00 0.00 H new ATOM 793 N GLY A 54 -6.902 -18.066 -2.749 1.00 0.00 N ATOM 794 CA GLY A 54 -6.375 -17.818 -4.079 1.00 0.00 C ATOM 795 C GLY A 54 -7.468 -17.685 -5.120 1.00 0.00 C ATOM 796 O GLY A 54 -7.240 -17.932 -6.304 1.00 0.00 O ATOM 0 H GLY A 54 -7.090 -19.046 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.777 -16.906 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.707 -18.633 -4.360 1.00 0.00 H new ATOM 800 N GLU A 55 -8.660 -17.295 -4.678 1.00 0.00 N ATOM 801 CA GLU A 55 -9.793 -17.132 -5.582 1.00 0.00 C ATOM 802 C GLU A 55 -9.929 -15.679 -6.027 1.00 0.00 C ATOM 803 O GLU A 55 -10.643 -15.375 -6.983 1.00 0.00 O ATOM 804 CB GLU A 55 -11.085 -17.592 -4.903 1.00 0.00 C ATOM 805 CG GLU A 55 -11.060 -19.049 -4.471 1.00 0.00 C ATOM 806 CD GLU A 55 -11.150 -20.006 -5.643 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.042 -19.818 -6.497 1.00 0.00 O ATOM 808 OE2 GLU A 55 -10.328 -20.944 -5.707 1.00 0.00 O ATOM 0 H GLU A 55 -8.866 -17.086 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.614 -17.748 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.270 -16.966 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.920 -17.439 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.142 -19.244 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.890 -19.236 -3.789 1.00 0.00 H new ATOM 815 N VAL A 56 -9.240 -14.784 -5.326 1.00 0.00 N ATOM 816 CA VAL A 56 -9.283 -13.363 -5.649 1.00 0.00 C ATOM 817 C VAL A 56 -7.878 -12.788 -5.790 1.00 0.00 C ATOM 818 O VAL A 56 -6.888 -13.514 -5.692 1.00 0.00 O ATOM 819 CB VAL A 56 -10.046 -12.566 -4.574 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.527 -12.914 -4.602 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.454 -12.827 -3.197 1.00 0.00 C ATOM 0 H VAL A 56 -8.646 -15.018 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.807 -13.271 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.943 -11.503 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.050 -12.341 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.939 -12.671 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.654 -13.979 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.005 -12.256 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.525 -13.890 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.407 -12.522 -3.187 1.00 0.00 H new ATOM 831 N ILE A 57 -7.799 -11.482 -6.019 1.00 0.00 N ATOM 832 CA ILE A 57 -6.515 -10.810 -6.171 1.00 0.00 C ATOM 833 C ILE A 57 -6.101 -10.114 -4.878 1.00 0.00 C ATOM 834 O ILE A 57 -6.942 -9.793 -4.038 1.00 0.00 O ATOM 835 CB ILE A 57 -6.553 -9.773 -7.309 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.717 -8.802 -7.104 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.669 -10.470 -8.657 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.437 -7.407 -7.618 1.00 0.00 C ATOM 0 H ILE A 57 -8.609 -10.868 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.784 -11.580 -6.416 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.623 -9.205 -7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.601 -9.195 -7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.952 -8.749 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.695 -9.724 -9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.811 -11.126 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.585 -11.060 -8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.305 -6.772 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.573 -6.994 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.231 -7.448 -8.688 1.00 0.00 H new ATOM 850 N ARG A 58 -4.802 -9.882 -4.727 1.00 0.00 N ATOM 851 CA ARG A 58 -4.277 -9.223 -3.538 1.00 0.00 C ATOM 852 C ARG A 58 -5.020 -7.918 -3.266 1.00 0.00 C ATOM 853 O ARG A 58 -5.353 -7.608 -2.123 1.00 0.00 O ATOM 854 CB ARG A 58 -2.781 -8.945 -3.700 1.00 0.00 C ATOM 855 CG ARG A 58 -1.953 -10.195 -3.950 1.00 0.00 C ATOM 856 CD ARG A 58 -0.546 -10.052 -3.392 1.00 0.00 C ATOM 857 NE ARG A 58 0.188 -11.314 -3.428 1.00 0.00 N ATOM 858 CZ ARG A 58 0.052 -12.270 -2.516 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.787 -12.108 -1.502 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.754 -13.391 -2.617 1.00 0.00 N ATOM 0 H ARG A 58 -4.093 -10.141 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.426 -9.890 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.636 -8.252 -4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.413 -8.449 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.442 -11.054 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.903 -10.391 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.003 -9.301 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.598 -9.692 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 58 0.841 -11.470 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.329 -11.248 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.890 -12.843 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.400 -13.520 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.648 -14.124 -1.916 1.00 0.00 H new ATOM 874 N GLY A 59 -5.277 -7.158 -4.325 1.00 0.00 N ATOM 875 CA GLY A 59 -5.979 -5.896 -4.180 1.00 0.00 C ATOM 876 C GLY A 59 -7.253 -6.030 -3.369 1.00 0.00 C ATOM 877 O GLY A 59 -7.420 -5.362 -2.349 1.00 0.00 O ATOM 0 H GLY A 59 -5.012 -7.393 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.321 -5.171 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.220 -5.503 -5.167 1.00 0.00 H new ATOM 881 N TRP A 60 -8.152 -6.895 -3.823 1.00 0.00 N ATOM 882 CA TRP A 60 -9.418 -7.114 -3.133 1.00 0.00 C ATOM 883 C TRP A 60 -9.184 -7.629 -1.717 1.00 0.00 C ATOM 884 O TRP A 60 -9.814 -7.165 -0.766 1.00 0.00 O ATOM 885 CB TRP A 60 -10.283 -8.106 -3.913 1.00 0.00 C ATOM 886 CG TRP A 60 -10.981 -7.490 -5.087 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.978 -6.171 -5.443 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.788 -8.167 -6.057 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.733 -5.988 -6.577 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.240 -7.197 -6.973 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.170 -9.498 -6.242 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.055 -7.519 -8.055 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -12.979 -9.816 -7.316 1.00 0.00 C ATOM 894 CH2 TRP A 60 -13.414 -8.830 -8.212 1.00 0.00 C ATOM 0 H TRP A 60 -8.028 -7.456 -4.666 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.939 -6.159 -3.071 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.657 -8.927 -4.262 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -11.027 -8.535 -3.241 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.459 -5.387 -4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.890 -5.097 -7.047 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.839 -10.265 -5.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.392 -6.761 -8.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -13.281 -10.842 -7.468 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.045 -9.110 -9.043 1.00 0.00 H new ATOM 905 N ASP A 61 -8.276 -8.589 -1.583 1.00 0.00 N ATOM 906 CA ASP A 61 -7.959 -9.165 -0.282 1.00 0.00 C ATOM 907 C ASP A 61 -7.712 -8.071 0.752 1.00 0.00 C ATOM 908 O ASP A 61 -8.455 -7.946 1.725 1.00 0.00 O ATOM 909 CB ASP A 61 -6.730 -10.070 -0.387 1.00 0.00 C ATOM 910 CG ASP A 61 -6.561 -10.961 0.828 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.444 -10.934 1.710 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.546 -11.685 0.896 1.00 0.00 O ATOM 0 H ASP A 61 -7.746 -8.985 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.813 -9.760 0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.814 -10.690 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.839 -9.455 -0.509 1.00 0.00 H new ATOM 917 N GLU A 62 -6.665 -7.282 0.533 1.00 0.00 N ATOM 918 CA GLU A 62 -6.321 -6.199 1.447 1.00 0.00 C ATOM 919 C GLU A 62 -7.394 -5.114 1.434 1.00 0.00 C ATOM 920 O GLU A 62 -7.846 -4.661 2.484 1.00 0.00 O ATOM 921 CB GLU A 62 -4.966 -5.596 1.072 1.00 0.00 C ATOM 922 CG GLU A 62 -3.820 -6.594 1.123 1.00 0.00 C ATOM 923 CD GLU A 62 -3.361 -7.026 -0.255 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.989 -6.147 -1.061 1.00 0.00 O ATOM 925 OE2 GLU A 62 -3.373 -8.245 -0.529 1.00 0.00 O ATOM 0 H GLU A 62 -6.041 -7.372 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.260 -6.613 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.029 -5.179 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.747 -4.769 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.981 -6.151 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.132 -7.471 1.689 1.00 0.00 H new ATOM 932 N GLY A 63 -7.796 -4.702 0.236 1.00 0.00 N ATOM 933 CA GLY A 63 -8.812 -3.674 0.107 1.00 0.00 C ATOM 934 C GLY A 63 -10.013 -3.930 0.996 1.00 0.00 C ATOM 935 O GLY A 63 -10.348 -3.111 1.851 1.00 0.00 O ATOM 0 H GLY A 63 -7.436 -5.062 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.378 -2.706 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.138 -3.618 -0.932 1.00 0.00 H new ATOM 939 N VAL A 64 -10.664 -5.071 0.793 1.00 0.00 N ATOM 940 CA VAL A 64 -11.835 -5.434 1.583 1.00 0.00 C ATOM 941 C VAL A 64 -11.454 -5.723 3.030 1.00 0.00 C ATOM 942 O VAL A 64 -12.234 -5.475 3.949 1.00 0.00 O ATOM 943 CB VAL A 64 -12.548 -6.666 0.995 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.732 -7.925 1.246 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.946 -6.801 1.580 1.00 0.00 C ATOM 0 H VAL A 64 -10.401 -5.760 0.088 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.514 -4.582 1.553 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.641 -6.531 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.251 -8.785 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.754 -7.825 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.605 -8.069 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.436 -7.677 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.878 -6.914 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.527 -5.909 1.344 1.00 0.00 H new ATOM 955 N ALA A 65 -10.249 -6.248 3.226 1.00 0.00 N ATOM 956 CA ALA A 65 -9.762 -6.568 4.562 1.00 0.00 C ATOM 957 C ALA A 65 -9.779 -5.337 5.462 1.00 0.00 C ATOM 958 O ALA A 65 -10.057 -5.436 6.657 1.00 0.00 O ATOM 959 CB ALA A 65 -8.359 -7.151 4.487 1.00 0.00 C ATOM 0 H ALA A 65 -9.592 -6.461 2.476 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.429 -7.312 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.008 -7.385 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.375 -8.061 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.687 -6.425 4.028 1.00 0.00 H new ATOM 965 N GLN A 66 -9.480 -4.180 4.880 1.00 0.00 N ATOM 966 CA GLN A 66 -9.460 -2.931 5.632 1.00 0.00 C ATOM 967 C GLN A 66 -10.758 -2.155 5.433 1.00 0.00 C ATOM 968 O GLN A 66 -10.777 -0.928 5.518 1.00 0.00 O ATOM 969 CB GLN A 66 -8.268 -2.073 5.203 1.00 0.00 C ATOM 970 CG GLN A 66 -8.303 -1.672 3.737 1.00 0.00 C ATOM 971 CD GLN A 66 -6.982 -1.105 3.256 1.00 0.00 C ATOM 972 OE1 GLN A 66 -6.463 -0.143 3.821 1.00 0.00 O ATOM 973 NE2 GLN A 66 -6.430 -1.701 2.205 1.00 0.00 N ATOM 0 H GLN A 66 -9.249 -4.082 3.891 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.362 -3.174 6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.240 -1.173 5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.347 -2.622 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.563 -2.541 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.089 -0.932 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.895 -2.496 1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.541 -1.364 1.836 1.00 0.00 H new ATOM 982 N MET A 67 -11.840 -2.880 5.168 1.00 0.00 N ATOM 983 CA MET A 67 -13.142 -2.259 4.958 1.00 0.00 C ATOM 984 C MET A 67 -14.120 -2.662 6.057 1.00 0.00 C ATOM 985 O MET A 67 -13.919 -3.664 6.743 1.00 0.00 O ATOM 986 CB MET A 67 -13.704 -2.651 3.590 1.00 0.00 C ATOM 987 CG MET A 67 -12.999 -1.973 2.426 1.00 0.00 C ATOM 988 SD MET A 67 -13.806 -0.442 1.923 1.00 0.00 S ATOM 989 CE MET A 67 -15.408 -1.056 1.407 1.00 0.00 C ATOM 0 H MET A 67 -11.841 -3.897 5.094 1.00 0.00 H new ATOM 0 HA MET A 67 -13.010 -1.178 4.992 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.627 -3.732 3.471 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.765 -2.401 3.557 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.967 -1.761 2.705 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.965 -2.657 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.937 -0.277 0.858 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.274 -1.926 0.764 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.989 -1.340 2.285 1.00 0.00 H new ATOM 999 N SER A 68 -15.179 -1.875 6.219 1.00 0.00 N ATOM 1000 CA SER A 68 -16.186 -2.148 7.237 1.00 0.00 C ATOM 1001 C SER A 68 -17.555 -2.371 6.602 1.00 0.00 C ATOM 1002 O SER A 68 -17.877 -1.781 5.571 1.00 0.00 O ATOM 1003 CB SER A 68 -16.257 -0.993 8.237 1.00 0.00 C ATOM 1004 OG SER A 68 -16.251 0.258 7.572 1.00 0.00 O ATOM 0 H SER A 68 -15.362 -1.043 5.658 1.00 0.00 H new ATOM 0 HA SER A 68 -15.897 -3.058 7.763 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.161 -1.084 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.411 -1.048 8.922 1.00 0.00 H new ATOM 0 HG SER A 68 -15.362 0.423 7.193 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.358 -3.227 7.226 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.694 -3.528 6.724 1.00 0.00 C ATOM 1012 C VAL A 69 -20.499 -2.252 6.506 1.00 0.00 C ATOM 1013 O VAL A 69 -20.643 -1.434 7.413 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.462 -4.449 7.690 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.877 -4.690 7.185 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.721 -5.764 7.874 1.00 0.00 C ATOM 0 H VAL A 69 -18.107 -3.724 8.080 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.566 -4.041 5.771 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.527 -3.957 8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.405 -5.343 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.403 -3.739 7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.838 -5.161 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.278 -6.403 8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.623 -6.264 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.730 -5.569 8.284 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.024 -2.089 5.295 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.809 -0.910 4.979 1.00 0.00 C ATOM 1028 C GLY A 70 -20.946 0.281 4.613 1.00 0.00 C ATOM 1029 O GLY A 70 -21.434 1.408 4.537 1.00 0.00 O ATOM 0 H GLY A 70 -20.920 -2.753 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.481 -1.136 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.433 -0.653 5.835 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.660 0.030 4.387 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.728 1.092 4.028 1.00 0.00 C ATOM 1035 C GLN A 71 -18.365 1.023 2.549 1.00 0.00 C ATOM 1036 O GLN A 71 -18.158 -0.060 2.001 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.461 0.996 4.881 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.708 2.311 5.002 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.210 2.143 4.840 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.500 1.842 5.800 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.721 2.338 3.621 1.00 0.00 N ATOM 0 H GLN A 71 -19.241 -0.898 4.446 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.216 2.048 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.730 0.648 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.798 0.246 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.075 3.006 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.917 2.757 5.975 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.346 2.586 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.720 2.240 3.451 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.292 2.184 1.907 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.956 2.255 0.490 1.00 0.00 C ATOM 1052 C ARG A 72 -16.726 3.129 0.266 1.00 0.00 C ATOM 1053 O ARG A 72 -16.603 4.206 0.848 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.139 2.805 -0.309 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.887 2.865 -1.807 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.699 3.969 -2.465 1.00 0.00 C ATOM 1057 NE ARG A 72 -21.127 3.662 -2.483 1.00 0.00 N ATOM 1058 CZ ARG A 72 -22.050 4.485 -2.966 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -21.697 5.660 -3.468 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -23.330 4.134 -2.947 1.00 0.00 N ATOM 0 H ARG A 72 -18.461 3.089 2.346 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.731 1.246 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -20.014 2.183 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.376 3.806 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.826 3.033 -1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -19.142 1.906 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.536 4.906 -1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.347 4.118 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.432 2.766 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.714 5.933 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -22.408 6.291 -3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -23.606 3.231 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -24.038 4.767 -3.318 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.818 2.657 -0.582 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.599 3.396 -0.885 1.00 0.00 C ATOM 1076 C ALA A 73 -13.982 2.924 -2.198 1.00 0.00 C ATOM 1077 O ALA A 73 -14.387 1.903 -2.755 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.598 3.251 0.252 1.00 0.00 C ATOM 0 H ALA A 73 -15.904 1.766 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.860 4.449 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.692 3.808 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.033 3.643 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.351 2.198 0.388 1.00 0.00 H new ATOM 1084 N LYS A 74 -13.002 3.674 -2.689 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.328 3.333 -3.936 1.00 0.00 C ATOM 1086 C LYS A 74 -11.072 2.510 -3.670 1.00 0.00 C ATOM 1087 O LYS A 74 -10.262 2.856 -2.809 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.964 4.604 -4.707 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.074 5.106 -5.613 1.00 0.00 C ATOM 1090 CD LYS A 74 -13.168 6.623 -5.593 1.00 0.00 C ATOM 1091 CE LYS A 74 -14.515 7.105 -6.109 1.00 0.00 C ATOM 1092 NZ LYS A 74 -14.679 6.838 -7.565 1.00 0.00 N ATOM 0 H LYS A 74 -12.656 4.523 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.012 2.734 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.705 5.388 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.075 4.412 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.895 4.765 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.025 4.678 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.016 6.985 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.371 7.046 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.314 6.610 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.614 8.174 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.537 7.313 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.851 7.201 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.763 5.813 -7.723 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.916 1.420 -4.413 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.757 0.548 -4.258 1.00 0.00 C ATOM 1108 C LEU A 75 -8.788 0.717 -5.424 1.00 0.00 C ATOM 1109 O LEU A 75 -8.939 0.081 -6.468 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.203 -0.912 -4.158 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.163 -1.896 -3.621 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.662 -1.451 -2.256 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.745 -3.300 -3.547 1.00 0.00 C ATOM 0 H LEU A 75 -11.577 1.119 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.242 0.828 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.083 -0.959 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.512 -1.245 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.317 -1.912 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.923 -2.163 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.205 -0.465 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.498 -1.405 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.991 -3.987 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.609 -3.301 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.053 -3.619 -4.543 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.792 1.577 -5.239 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.796 1.827 -6.274 1.00 0.00 C ATOM 1127 C VAL A 76 -5.524 1.026 -6.018 1.00 0.00 C ATOM 1128 O VAL A 76 -4.714 1.384 -5.162 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.438 3.323 -6.359 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.086 3.867 -4.983 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.294 3.543 -7.337 1.00 0.00 C ATOM 0 H VAL A 76 -7.653 2.112 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.237 1.512 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.309 3.866 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.836 4.925 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.938 3.745 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.231 3.321 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.055 4.605 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.417 2.988 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.589 3.193 -8.326 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.355 -0.059 -6.766 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.181 -0.912 -6.620 1.00 0.00 C ATOM 1143 C CYS A 77 -3.489 -1.118 -7.964 1.00 0.00 C ATOM 1144 O CYS A 77 -4.072 -0.868 -9.019 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.579 -2.264 -6.025 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.956 -3.069 -6.876 1.00 0.00 S ATOM 0 H CYS A 77 -6.015 -0.368 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.483 -0.417 -5.945 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.714 -2.927 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.846 -2.123 -4.978 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.724 -4.345 -6.965 1.00 0.00 H new ATOM 1152 N SER A 78 -2.241 -1.574 -7.916 1.00 0.00 N ATOM 1153 CA SER A 78 -1.466 -1.808 -9.130 1.00 0.00 C ATOM 1154 C SER A 78 -1.829 -3.152 -9.755 1.00 0.00 C ATOM 1155 O SER A 78 -2.494 -3.990 -9.145 1.00 0.00 O ATOM 1156 CB SER A 78 0.031 -1.765 -8.820 1.00 0.00 C ATOM 1157 OG SER A 78 0.645 -0.641 -9.428 1.00 0.00 O ATOM 0 H SER A 78 -1.745 -1.789 -7.051 1.00 0.00 H new ATOM 0 HA SER A 78 -1.705 -1.019 -9.843 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.181 -1.726 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.506 -2.680 -9.175 1.00 0.00 H new ATOM 0 HG SER A 78 1.601 -0.635 -9.214 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.383 -3.363 -11.002 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.647 -4.602 -11.738 1.00 0.00 C ATOM 1165 C PRO A 79 -0.889 -5.793 -11.160 1.00 0.00 C ATOM 1166 O PRO A 79 -1.307 -6.941 -11.314 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.152 -4.288 -13.152 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.126 -3.224 -12.966 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.585 -2.408 -11.789 1.00 0.00 C ATOM 0 HA PRO A 79 -2.698 -4.886 -11.693 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.725 -5.171 -13.627 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.967 -3.945 -13.790 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.857 -3.658 -12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.039 -2.606 -13.859 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.257 -2.020 -11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.180 -1.550 -12.102 1.00 0.00 H new ATOM 1177 N ASP A 80 0.225 -5.512 -10.495 1.00 0.00 N ATOM 1178 CA ASP A 80 1.041 -6.560 -9.892 1.00 0.00 C ATOM 1179 C ASP A 80 0.255 -7.314 -8.825 1.00 0.00 C ATOM 1180 O ASP A 80 0.520 -8.486 -8.556 1.00 0.00 O ATOM 1181 CB ASP A 80 2.309 -5.961 -9.282 1.00 0.00 C ATOM 1182 CG ASP A 80 3.290 -7.023 -8.826 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.689 -7.860 -9.662 1.00 0.00 O ATOM 1184 OD2 ASP A 80 3.658 -7.017 -7.633 1.00 0.00 O ATOM 0 H ASP A 80 0.585 -4.567 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 80 1.322 -7.264 -10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.792 -5.316 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.039 -5.332 -8.434 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.713 -6.635 -8.219 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.535 -7.239 -7.178 1.00 0.00 C ATOM 1191 C TYR A 81 -2.943 -7.523 -7.693 1.00 0.00 C ATOM 1192 O TYR A 81 -3.865 -7.762 -6.913 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.602 -6.323 -5.955 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.479 -6.546 -4.969 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.811 -6.824 -5.406 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.706 -6.479 -3.600 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.840 -7.029 -4.508 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.318 -6.682 -2.695 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.589 -6.957 -3.153 1.00 0.00 C ATOM 1200 OH TYR A 81 2.612 -7.159 -2.256 1.00 0.00 O ATOM 0 H TYR A 81 -0.947 -5.665 -8.431 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.075 -8.184 -6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.581 -5.285 -6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.555 -6.477 -5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.012 -6.881 -6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.700 -6.264 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.836 -7.245 -4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.124 -6.626 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 81 2.268 -7.073 -1.342 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.100 -7.496 -9.012 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.394 -7.753 -9.633 1.00 0.00 C ATOM 1212 C ALA A 82 -4.226 -8.355 -11.024 1.00 0.00 C ATOM 1213 O ALA A 82 -3.135 -8.789 -11.395 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.208 -6.469 -9.707 1.00 0.00 C ATOM 0 H ALA A 82 -2.347 -7.299 -9.672 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.928 -8.475 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.172 -6.675 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.367 -6.080 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.669 -5.730 -10.300 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.312 -8.380 -11.788 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.285 -8.933 -13.137 1.00 0.00 C ATOM 1222 C TYR A 83 -5.003 -7.843 -14.167 1.00 0.00 C ATOM 1223 O TYR A 83 -5.233 -8.028 -15.361 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.614 -9.620 -13.455 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.826 -8.817 -13.042 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.072 -7.563 -13.588 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.725 -9.312 -12.105 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.178 -6.825 -13.212 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.834 -8.581 -11.724 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.056 -7.338 -12.280 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.159 -6.607 -11.904 1.00 0.00 O ATOM 0 H TYR A 83 -6.222 -8.024 -11.496 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.482 -9.669 -13.185 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.665 -9.814 -14.526 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.642 -10.588 -12.954 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.387 -7.158 -14.319 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.554 -10.284 -11.667 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.354 -5.852 -13.646 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.523 -8.981 -10.995 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.029 -5.668 -12.151 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.503 -6.706 -13.693 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.197 -5.602 -14.585 1.00 0.00 C ATOM 1243 C GLY A 84 -3.005 -5.890 -15.476 1.00 0.00 C ATOM 1244 O GLY A 84 -2.862 -5.295 -16.544 1.00 0.00 O ATOM 0 H GLY A 84 -4.304 -6.529 -12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.067 -5.388 -15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.998 -4.707 -13.996 1.00 0.00 H new ATOM 1248 N SER A 85 -2.147 -6.805 -15.037 1.00 0.00 N ATOM 1249 CA SER A 85 -0.958 -7.166 -15.800 1.00 0.00 C ATOM 1250 C SER A 85 -1.314 -7.457 -17.255 1.00 0.00 C ATOM 1251 O SER A 85 -0.990 -6.678 -18.151 1.00 0.00 O ATOM 1252 CB SER A 85 -0.278 -8.387 -15.176 1.00 0.00 C ATOM 1253 OG SER A 85 0.809 -8.827 -15.972 1.00 0.00 O ATOM 0 H SER A 85 -2.253 -7.310 -14.157 1.00 0.00 H new ATOM 0 HA SER A 85 -0.269 -6.322 -15.774 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.077 -8.138 -14.176 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.002 -9.194 -15.066 1.00 0.00 H new ATOM 0 HG SER A 85 1.165 -8.072 -16.485 1.00 0.00 H new ATOM 1259 N ARG A 86 -1.982 -8.583 -17.480 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.381 -8.978 -18.826 1.00 0.00 C ATOM 1261 C ARG A 86 -3.453 -8.040 -19.372 1.00 0.00 C ATOM 1262 O ARG A 86 -3.265 -7.403 -20.408 1.00 0.00 O ATOM 1263 CB ARG A 86 -2.901 -10.417 -18.825 1.00 0.00 C ATOM 1264 CG ARG A 86 -3.324 -10.913 -20.198 1.00 0.00 C ATOM 1265 CD ARG A 86 -4.624 -11.699 -20.130 1.00 0.00 C ATOM 1266 NE ARG A 86 -4.715 -12.699 -21.190 1.00 0.00 N ATOM 1267 CZ ARG A 86 -5.701 -13.584 -21.284 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -6.676 -13.593 -20.385 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -5.714 -14.462 -22.278 1.00 0.00 N ATOM 0 H ARG A 86 -2.258 -9.238 -16.748 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.504 -8.916 -19.471 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.125 -11.075 -18.434 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.750 -10.487 -18.145 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.445 -10.064 -20.871 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.539 -11.542 -20.617 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.700 -12.191 -19.160 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.467 -11.012 -20.206 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.981 -12.719 -21.898 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.670 -12.919 -19.619 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.432 -14.274 -20.459 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.966 -14.458 -22.972 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.472 -15.141 -22.349 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.578 -7.959 -18.668 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.663 -7.097 -19.098 1.00 0.00 C ATOM 1285 C GLY A 87 -6.279 -7.550 -20.407 1.00 0.00 C ATOM 1286 O GLY A 87 -6.022 -8.661 -20.871 1.00 0.00 O ATOM 0 H GLY A 87 -4.757 -8.476 -17.807 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.433 -7.074 -18.326 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.292 -6.078 -19.208 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.096 -6.688 -21.004 1.00 0.00 N ATOM 1291 CA HIS A 88 -7.753 -7.007 -22.267 1.00 0.00 C ATOM 1292 C HIS A 88 -8.035 -5.739 -23.067 1.00 0.00 C ATOM 1293 O HIS A 88 -8.113 -4.637 -22.523 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.056 -7.764 -22.013 1.00 0.00 C ATOM 1295 CG HIS A 88 -8.893 -9.253 -22.012 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.158 -9.930 -22.961 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.375 -10.196 -21.169 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.196 -11.225 -22.703 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -8.928 -11.413 -21.620 1.00 0.00 N ATOM 0 H HIS A 88 -7.319 -5.764 -20.634 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.082 -7.641 -22.847 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.467 -7.451 -21.053 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.783 -7.487 -22.777 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -9.996 -10.023 -20.302 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.711 -11.999 -23.280 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.129 -12.315 -21.189 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.191 -5.895 -24.390 1.00 0.00 N ATOM 1308 CA PRO A 89 -8.467 -4.774 -25.293 1.00 0.00 C ATOM 1309 C PRO A 89 -9.867 -4.202 -25.097 1.00 0.00 C ATOM 1310 O PRO A 89 -10.865 -4.885 -25.324 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.335 -5.398 -26.685 1.00 0.00 C ATOM 1312 CG PRO A 89 -8.624 -6.845 -26.480 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.111 -7.180 -25.106 1.00 0.00 C ATOM 0 HA PRO A 89 -7.791 -3.937 -25.120 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.037 -4.950 -27.388 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.336 -5.248 -27.093 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.693 -7.044 -26.557 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.131 -7.453 -27.239 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.719 -7.946 -24.626 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.089 -7.559 -25.140 1.00 0.00 H new ATOM 1321 N GLY A 90 -9.933 -2.944 -24.673 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.216 -2.301 -24.454 1.00 0.00 C ATOM 1323 C GLY A 90 -11.808 -2.636 -23.099 1.00 0.00 C ATOM 1324 O GLY A 90 -12.943 -2.265 -22.800 1.00 0.00 O ATOM 0 H GLY A 90 -9.121 -2.358 -24.477 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.097 -1.221 -24.538 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.911 -2.607 -25.236 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.038 -3.341 -22.276 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.492 -3.727 -20.946 1.00 0.00 C ATOM 1330 C VAL A 91 -10.477 -3.329 -19.881 1.00 0.00 C ATOM 1331 O VAL A 91 -10.787 -2.562 -18.969 1.00 0.00 O ATOM 1332 CB VAL A 91 -11.745 -5.244 -20.857 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.344 -5.607 -19.507 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -12.651 -5.700 -21.991 1.00 0.00 C ATOM 0 H VAL A 91 -10.096 -3.656 -22.508 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.428 -3.199 -20.766 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.790 -5.761 -20.955 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.516 -6.682 -19.463 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.656 -5.316 -18.713 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.291 -5.083 -19.376 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.819 -6.774 -21.913 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.605 -5.178 -21.927 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.178 -5.475 -22.947 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.263 -3.855 -20.003 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.200 -3.552 -19.052 1.00 0.00 C ATOM 1346 C ILE A 92 -6.893 -3.237 -19.770 1.00 0.00 C ATOM 1347 O ILE A 92 -6.478 -3.937 -20.694 1.00 0.00 O ATOM 1348 CB ILE A 92 -7.968 -4.722 -18.077 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.248 -5.024 -17.295 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.824 -4.401 -17.127 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.109 -6.184 -16.334 1.00 0.00 C ATOM 0 H ILE A 92 -8.991 -4.493 -20.751 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.521 -2.677 -18.488 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.699 -5.607 -18.653 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.542 -4.134 -16.738 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.052 -5.240 -17.999 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.672 -5.237 -16.444 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.912 -4.230 -17.700 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.066 -3.505 -16.555 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.054 -6.341 -15.814 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.845 -7.085 -16.887 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.328 -5.963 -15.607 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.225 -2.158 -19.336 1.00 0.00 N ATOM 1364 CA PRO A 93 -4.952 -1.725 -19.922 1.00 0.00 C ATOM 1365 C PRO A 93 -3.811 -2.683 -19.599 1.00 0.00 C ATOM 1366 O PRO A 93 -3.875 -3.467 -18.652 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.707 -0.362 -19.271 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.453 -0.418 -17.983 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.660 -1.276 -18.240 1.00 0.00 C ATOM 0 HA PRO A 93 -4.995 -1.690 -21.011 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.644 -0.188 -19.105 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.068 0.449 -19.903 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.834 -0.842 -17.192 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.746 0.580 -17.658 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.944 -1.845 -17.355 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.525 -0.677 -18.525 1.00 0.00 H new ATOM 1377 N PRO A 94 -2.739 -2.620 -20.404 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.562 -3.475 -20.222 1.00 0.00 C ATOM 1379 C PRO A 94 -0.768 -3.109 -18.973 1.00 0.00 C ATOM 1380 O PRO A 94 -0.011 -2.140 -18.969 1.00 0.00 O ATOM 1381 CB PRO A 94 -0.732 -3.207 -21.480 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.143 -1.846 -21.923 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.594 -1.710 -21.552 1.00 0.00 C ATOM 0 HA PRO A 94 -1.835 -4.522 -20.089 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.336 -3.248 -21.266 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.931 -3.951 -22.251 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.542 -1.079 -21.435 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.002 -1.726 -22.997 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.846 -0.684 -21.286 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.248 -1.995 -22.376 1.00 0.00 H new ATOM 1391 N ASN A 95 -0.945 -3.893 -17.914 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.245 -3.651 -16.658 1.00 0.00 C ATOM 1393 C ASN A 95 -0.368 -2.189 -16.239 1.00 0.00 C ATOM 1394 O ASN A 95 0.627 -1.468 -16.165 1.00 0.00 O ATOM 1395 CB ASN A 95 1.231 -4.032 -16.791 1.00 0.00 C ATOM 1396 CG ASN A 95 1.436 -5.247 -17.675 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.520 -6.375 -17.189 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.520 -5.022 -18.981 1.00 0.00 N ATOM 0 H ASN A 95 -1.567 -4.701 -17.901 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.706 -4.271 -15.889 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.786 -3.189 -17.202 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.643 -4.232 -15.802 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.660 -5.801 -19.625 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.445 -4.070 -19.340 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.595 -1.759 -15.965 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.849 -0.385 -15.551 1.00 0.00 C ATOM 1407 C ALA A 96 -2.695 -0.341 -14.284 1.00 0.00 C ATOM 1408 O ALA A 96 -3.616 -1.141 -14.110 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.531 0.387 -16.671 1.00 0.00 C ATOM 0 H ALA A 96 -2.429 -2.343 -16.022 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.890 0.085 -15.333 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.714 1.412 -16.347 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.889 0.394 -17.552 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.479 -0.091 -16.917 1.00 0.00 H new ATOM 1415 N THR A 97 -2.379 0.599 -13.398 1.00 0.00 N ATOM 1416 CA THR A 97 -3.109 0.746 -12.146 1.00 0.00 C ATOM 1417 C THR A 97 -4.604 0.909 -12.397 1.00 0.00 C ATOM 1418 O THR A 97 -5.015 1.535 -13.374 1.00 0.00 O ATOM 1419 CB THR A 97 -2.601 1.956 -11.338 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.175 2.040 -11.427 1.00 0.00 O ATOM 1421 CG2 THR A 97 -3.017 1.845 -9.879 1.00 0.00 C ATOM 0 H THR A 97 -1.621 1.270 -13.525 1.00 0.00 H new ATOM 0 HA THR A 97 -2.937 -0.164 -11.571 1.00 0.00 H new ATOM 0 HB THR A 97 -3.045 2.858 -11.759 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.860 2.812 -10.912 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.647 2.710 -9.328 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.104 1.810 -9.812 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.598 0.935 -9.449 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.413 0.342 -11.509 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.864 0.425 -11.633 1.00 0.00 C ATOM 1431 C LEU A 98 -7.508 0.764 -10.293 1.00 0.00 C ATOM 1432 O LEU A 98 -6.964 0.449 -9.233 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.426 -0.896 -12.163 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.803 -1.420 -13.457 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -7.392 -2.773 -13.823 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -7.008 -0.424 -14.589 1.00 0.00 C ATOM 0 H LEU A 98 -5.089 -0.180 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.098 1.222 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.303 -1.656 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.497 -0.774 -12.323 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.732 -1.544 -13.298 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.937 -3.130 -14.747 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.194 -3.485 -13.022 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.468 -2.675 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.558 -0.813 -15.502 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.075 -0.268 -14.748 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.538 0.524 -14.329 1.00 0.00 H new ATOM 1448 N THR A 99 -8.671 1.406 -10.345 1.00 0.00 N ATOM 1449 CA THR A 99 -9.389 1.786 -9.136 1.00 0.00 C ATOM 1450 C THR A 99 -10.805 1.223 -9.138 1.00 0.00 C ATOM 1451 O THR A 99 -11.694 1.753 -9.805 1.00 0.00 O ATOM 1452 CB THR A 99 -9.458 3.318 -8.982 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.159 3.888 -9.176 1.00 0.00 O ATOM 1454 CG2 THR A 99 -9.986 3.700 -7.607 1.00 0.00 C ATOM 0 H THR A 99 -9.136 1.674 -11.213 1.00 0.00 H new ATOM 0 HA THR A 99 -8.836 1.368 -8.295 1.00 0.00 H new ATOM 0 HB THR A 99 -10.141 3.707 -9.737 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.211 4.862 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.026 4.786 -7.521 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.987 3.289 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.324 3.300 -6.839 1.00 0.00 H new ATOM 1462 N PHE A 100 -11.010 0.146 -8.386 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.319 -0.490 -8.301 1.00 0.00 C ATOM 1464 C PHE A 100 -13.016 -0.128 -6.993 1.00 0.00 C ATOM 1465 O PHE A 100 -12.500 -0.396 -5.908 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.180 -2.010 -8.415 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.908 -2.484 -9.814 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.683 -2.243 -10.415 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.877 -3.170 -10.528 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -10.429 -2.678 -11.702 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -12.628 -3.608 -11.815 1.00 0.00 C ATOM 1472 CZ PHE A 100 -11.403 -3.361 -12.403 1.00 0.00 C ATOM 0 H PHE A 100 -10.286 -0.304 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.927 -0.125 -9.129 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.372 -2.343 -7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.095 -2.479 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.918 -1.709 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.837 -3.365 -10.074 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -9.470 -2.484 -12.159 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -13.391 -4.143 -12.361 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.207 -3.701 -13.409 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.190 0.483 -7.104 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.959 0.881 -5.931 1.00 0.00 C ATOM 1484 C ASP A 101 -15.500 -0.340 -5.195 1.00 0.00 C ATOM 1485 O ASP A 101 -16.270 -1.123 -5.751 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.112 1.799 -6.338 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.695 3.255 -6.415 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.866 3.588 -7.288 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.196 4.060 -5.603 1.00 0.00 O ATOM 0 H ASP A 101 -14.630 0.714 -7.995 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.294 1.422 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.499 1.483 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.926 1.695 -5.620 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.090 -0.498 -3.940 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.533 -1.624 -3.127 1.00 0.00 C ATOM 1496 C VAL A 102 -16.484 -1.167 -2.026 1.00 0.00 C ATOM 1497 O VAL A 102 -16.219 -0.187 -1.332 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.340 -2.359 -2.488 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.824 -3.523 -1.636 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.374 -2.838 -3.560 1.00 0.00 C ATOM 0 H VAL A 102 -14.452 0.140 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.057 -2.309 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.810 -1.661 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.967 -4.030 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.474 -3.149 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.378 -4.224 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.537 -3.355 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.890 -3.521 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.002 -1.982 -4.123 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.592 -1.886 -1.873 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.582 -1.553 -0.856 1.00 0.00 C ATOM 1512 C GLU A 103 -18.973 -2.789 -0.051 1.00 0.00 C ATOM 1513 O GLU A 103 -19.589 -3.717 -0.577 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.825 -0.940 -1.504 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.910 -0.566 -0.507 1.00 0.00 C ATOM 1516 CD GLU A 103 -22.154 -0.017 -1.178 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.227 -0.064 -2.424 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -23.056 0.458 -0.456 1.00 0.00 O ATOM 0 H GLU A 103 -17.826 -2.701 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.137 -0.825 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.533 -0.050 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.234 -1.647 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.176 -1.444 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.519 0.177 0.188 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.609 -2.795 1.227 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.920 -3.917 2.105 1.00 0.00 C ATOM 1527 C LEU A 104 -20.427 -4.055 2.301 1.00 0.00 C ATOM 1528 O LEU A 104 -21.118 -3.076 2.587 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.233 -3.736 3.460 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.814 -5.019 4.177 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.966 -6.012 4.213 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.597 -5.635 3.502 1.00 0.00 C ATOM 0 H LEU A 104 -18.098 -2.036 1.678 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.549 -4.827 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.347 -3.118 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.905 -3.181 4.114 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.546 -4.767 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.649 -6.919 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.810 -5.571 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.266 -6.259 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.313 -6.548 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.837 -5.872 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.768 -4.928 3.530 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.929 -5.275 2.148 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.354 -5.541 2.310 1.00 0.00 C ATOM 1546 C LEU A 105 -22.609 -6.410 3.538 1.00 0.00 C ATOM 1547 O LEU A 105 -23.614 -6.245 4.230 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.910 -6.227 1.062 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.515 -5.305 0.002 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.649 -4.483 0.595 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -22.446 -4.396 -0.587 1.00 0.00 C ATOM 0 H LEU A 105 -20.371 -6.095 1.912 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.863 -4.587 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.107 -6.801 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.674 -6.940 1.373 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.921 -5.922 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.068 -3.833 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.426 -5.151 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.268 -3.876 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -22.894 -3.747 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -22.010 -3.787 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.667 -5.002 -1.049 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.691 -7.334 3.803 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.816 -8.228 4.948 1.00 0.00 C ATOM 1565 C ARG A 106 -20.590 -9.127 5.072 1.00 0.00 C ATOM 1566 O ARG A 106 -19.765 -9.199 4.161 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.078 -9.084 4.819 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.164 -9.848 3.508 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.573 -10.359 3.252 1.00 0.00 C ATOM 1570 NE ARG A 106 -24.705 -10.963 1.929 1.00 0.00 N ATOM 1571 CZ ARG A 106 -25.778 -11.638 1.533 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -26.808 -11.794 2.353 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -25.823 -12.159 0.313 1.00 0.00 N ATOM 0 H ARG A 106 -20.853 -7.483 3.241 1.00 0.00 H new ATOM 0 HA ARG A 106 -21.890 -7.617 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.112 -9.793 5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -23.954 -8.442 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -22.856 -9.200 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.469 -10.688 3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -24.836 -11.093 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -25.280 -9.535 3.346 1.00 0.00 H new ATOM 0 HE ARG A 106 -23.931 -10.861 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -26.778 -11.395 3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -27.631 -12.313 2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -25.033 -12.041 -0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -26.648 -12.677 0.010 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.476 -9.811 6.206 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.351 -10.706 6.450 1.00 0.00 C ATOM 1589 C VAL A 107 -19.828 -12.063 6.958 1.00 0.00 C ATOM 1590 O VAL A 107 -20.796 -12.148 7.712 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.367 -10.105 7.470 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -18.998 -10.051 8.853 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.073 -10.905 7.497 1.00 0.00 C ATOM 0 H VAL A 107 -21.149 -9.762 6.971 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.839 -10.838 5.497 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.131 -9.086 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.288 -9.623 9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -19.895 -9.432 8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.265 -11.059 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.389 -10.466 8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.288 -11.936 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.613 -10.887 6.509 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.140 -13.120 6.539 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.494 -14.473 6.952 1.00 0.00 C ATOM 1605 C GLU A 108 -18.247 -15.278 7.304 1.00 0.00 C ATOM 1606 O GLU A 108 -17.379 -15.499 6.460 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.275 -15.181 5.842 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.750 -14.819 5.809 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.597 -15.882 5.137 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.469 -17.067 5.512 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.386 -15.531 4.236 1.00 0.00 O ATOM 0 H GLU A 108 -18.335 -13.066 5.915 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.122 -14.402 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.827 -14.933 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.177 -16.259 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -22.106 -14.667 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.876 -13.873 5.283 1.00 0.00 H new TER 1618 GLU A 108