USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 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 53 HIS : no HD1:sc= -2.68 K(o=-5.1,f=-8.9!) USER MOD Set 1.2: A 91 HIS : no HD1:sc= -2.43 K(o=-5.1,f=-7.7!) USER MOD Set 2.1: A 38 THR OG1 : rot 151:sc= -0.893 USER MOD Set 2.2: A 40 GLN : amide:sc= -2.71 K(o=-3.6,f=-7.8!) USER MOD Set 2.3: A 41 GLN : amide:sc= 0 X(o=-3.6,f=-3.6) USER MOD Set 2.4: A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -3.72! C(o=-3.7!,f=-4.8!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.0694 F(o=-1.3,f=-0.069) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.0507 (180deg=-0.372) USER MOD Single : A 21 THR OG1 : rot -85:sc= 0.367 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -86:sc= 1.41 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0.198 (180deg=0.186) USER MOD Single : A 32 SER OG : rot 37:sc= 0.486 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0502 USER MOD Single : A 36 THR OG1 : rot -31:sc= 0.00326 USER MOD Single : A 37 CYS SG : rot -53:sc= -0.105 USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.392) USER MOD Single : A 47 SER OG : rot 33:sc= 0.645 USER MOD Single : A 48 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 0.974 (180deg=0.0362) USER MOD Single : A 56 GLN : amide:sc= -3.29 K(o=-3.3,f=-6.8!) USER MOD Single : A 64 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.931) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 74 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.041) USER MOD Single : A 75 CYS SG : rot 83:sc= -3.19 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.684 F(o=-1.6!,f=-0.68) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0592 K(o=-0.059,f=-1.2!) USER MOD Single : A 94 MET CE :methyl -167:sc= 0 (180deg=-0.128) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.589 14.712 13.076 1.00 0.00 N ATOM 2 CA GLY A 1 -5.236 14.432 11.697 1.00 0.00 C ATOM 3 C GLY A 1 -5.026 12.953 11.441 1.00 0.00 C ATOM 4 O GLY A 1 -3.969 12.542 10.962 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.722 15.736 13.199 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.472 14.217 13.316 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.827 14.384 13.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.024 14.803 11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.326 14.975 11.441 1.00 0.00 H new ATOM 8 N SER A 2 -6.035 12.149 11.761 1.00 0.00 N ATOM 9 CA SER A 2 -5.955 10.706 11.568 1.00 0.00 C ATOM 10 C SER A 2 -6.395 10.321 10.159 1.00 0.00 C ATOM 11 O SER A 2 -7.281 10.950 9.580 1.00 0.00 O ATOM 12 CB SER A 2 -6.821 9.983 12.601 1.00 0.00 C ATOM 13 OG SER A 2 -8.200 10.152 12.317 1.00 0.00 O ATOM 0 H SER A 2 -6.918 12.473 12.155 1.00 0.00 H new ATOM 0 HA SER A 2 -4.916 10.404 11.700 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.575 8.921 12.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.602 10.367 13.597 1.00 0.00 H new ATOM 0 HG SER A 2 -8.733 9.679 12.990 1.00 0.00 H new ATOM 19 N SER A 3 -5.769 9.284 9.613 1.00 0.00 N ATOM 20 CA SER A 3 -6.092 8.816 8.270 1.00 0.00 C ATOM 21 C SER A 3 -7.576 8.480 8.155 1.00 0.00 C ATOM 22 O SER A 3 -8.270 8.333 9.159 1.00 0.00 O ATOM 23 CB SER A 3 -5.250 7.587 7.919 1.00 0.00 C ATOM 24 OG SER A 3 -5.079 7.471 6.517 1.00 0.00 O ATOM 0 H SER A 3 -5.035 8.751 10.080 1.00 0.00 H new ATOM 0 HA SER A 3 -5.863 9.617 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.276 7.659 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.732 6.689 8.305 1.00 0.00 H new ATOM 0 HG SER A 3 -4.536 6.680 6.318 1.00 0.00 H new ATOM 30 N GLY A 4 -8.054 8.360 6.920 1.00 0.00 N ATOM 31 CA GLY A 4 -9.452 8.042 6.694 1.00 0.00 C ATOM 32 C GLY A 4 -10.146 9.068 5.820 1.00 0.00 C ATOM 33 O GLY A 4 -10.946 9.868 6.305 1.00 0.00 O ATOM 0 H GLY A 4 -7.499 8.477 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.527 7.060 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.967 7.978 7.653 1.00 0.00 H new ATOM 37 N SER A 5 -9.838 9.046 4.527 1.00 0.00 N ATOM 38 CA SER A 5 -10.434 9.985 3.584 1.00 0.00 C ATOM 39 C SER A 5 -11.929 9.723 3.427 1.00 0.00 C ATOM 40 O SER A 5 -12.758 10.554 3.797 1.00 0.00 O ATOM 41 CB SER A 5 -9.741 9.883 2.223 1.00 0.00 C ATOM 42 OG SER A 5 -8.532 10.623 2.210 1.00 0.00 O ATOM 0 H SER A 5 -9.180 8.389 4.109 1.00 0.00 H new ATOM 0 HA SER A 5 -10.299 10.992 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.534 8.838 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.407 10.254 1.444 1.00 0.00 H new ATOM 0 HG SER A 5 -8.107 10.541 1.331 1.00 0.00 H new ATOM 48 N SER A 6 -12.265 8.562 2.875 1.00 0.00 N ATOM 49 CA SER A 6 -13.659 8.190 2.665 1.00 0.00 C ATOM 50 C SER A 6 -13.915 6.758 3.123 1.00 0.00 C ATOM 51 O SER A 6 -13.119 5.858 2.857 1.00 0.00 O ATOM 52 CB SER A 6 -14.032 8.340 1.189 1.00 0.00 C ATOM 53 OG SER A 6 -15.436 8.442 1.025 1.00 0.00 O ATOM 0 H SER A 6 -11.591 7.862 2.565 1.00 0.00 H new ATOM 0 HA SER A 6 -14.281 8.859 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.549 9.226 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.658 7.484 0.628 1.00 0.00 H new ATOM 0 HG SER A 6 -15.648 8.539 0.073 1.00 0.00 H new ATOM 59 N GLY A 7 -15.032 6.554 3.814 1.00 0.00 N ATOM 60 CA GLY A 7 -15.374 5.230 4.299 1.00 0.00 C ATOM 61 C GLY A 7 -14.809 4.954 5.679 1.00 0.00 C ATOM 62 O GLY A 7 -14.339 3.850 5.955 1.00 0.00 O ATOM 0 H GLY A 7 -15.707 7.283 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.459 5.125 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.999 4.482 3.600 1.00 0.00 H new ATOM 66 N SER A 8 -14.853 5.960 6.547 1.00 0.00 N ATOM 67 CA SER A 8 -14.337 5.822 7.903 1.00 0.00 C ATOM 68 C SER A 8 -14.649 4.438 8.466 1.00 0.00 C ATOM 69 O SER A 8 -13.756 3.667 8.816 1.00 0.00 O ATOM 70 CB SER A 8 -14.932 6.900 8.811 1.00 0.00 C ATOM 71 OG SER A 8 -14.086 8.034 8.878 1.00 0.00 O ATOM 0 H SER A 8 -15.241 6.879 6.335 1.00 0.00 H new ATOM 0 HA SER A 8 -13.255 5.945 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.912 7.195 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.082 6.495 9.812 1.00 0.00 H new ATOM 0 HG SER A 8 -14.489 8.709 9.463 1.00 0.00 H new ATOM 77 N PRO A 9 -15.948 4.116 8.554 1.00 0.00 N ATOM 78 CA PRO A 9 -16.410 2.825 9.072 1.00 0.00 C ATOM 79 C PRO A 9 -16.087 1.672 8.127 1.00 0.00 C ATOM 80 O PRO A 9 -16.135 1.825 6.907 1.00 0.00 O ATOM 81 CB PRO A 9 -17.925 3.011 9.190 1.00 0.00 C ATOM 82 CG PRO A 9 -18.255 4.067 8.193 1.00 0.00 C ATOM 83 CD PRO A 9 -17.066 4.987 8.154 1.00 0.00 C ATOM 0 HA PRO A 9 -15.924 2.566 10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.456 2.084 8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.209 3.315 10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.444 3.632 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.157 4.607 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.914 5.405 7.159 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.185 5.827 8.838 1.00 0.00 H new ATOM 91 N ALA A 10 -15.759 0.518 8.700 1.00 0.00 N ATOM 92 CA ALA A 10 -15.431 -0.661 7.908 1.00 0.00 C ATOM 93 C ALA A 10 -15.242 -1.885 8.799 1.00 0.00 C ATOM 94 O ALA A 10 -14.698 -1.803 9.900 1.00 0.00 O ATOM 95 CB ALA A 10 -14.180 -0.410 7.081 1.00 0.00 C ATOM 0 H ALA A 10 -15.713 0.375 9.709 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.264 -0.859 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.947 -1.299 6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.350 0.433 6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.345 -0.184 7.744 1.00 0.00 H new ATOM 101 N PRO A 11 -15.703 -3.047 8.313 1.00 0.00 N ATOM 102 CA PRO A 11 -15.595 -4.310 9.050 1.00 0.00 C ATOM 103 C PRO A 11 -14.156 -4.806 9.144 1.00 0.00 C ATOM 104 O PRO A 11 -13.412 -4.772 8.164 1.00 0.00 O ATOM 105 CB PRO A 11 -16.442 -5.278 8.219 1.00 0.00 C ATOM 106 CG PRO A 11 -16.422 -4.712 6.841 1.00 0.00 C ATOM 107 CD PRO A 11 -16.362 -3.219 7.008 1.00 0.00 C ATOM 0 HA PRO A 11 -15.928 -4.209 10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.026 -6.285 8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.459 -5.345 8.605 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.561 -5.077 6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.312 -5.007 6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.794 -2.748 6.206 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.357 -2.773 6.999 1.00 0.00 H new ATOM 115 N VAL A 12 -13.771 -5.268 10.329 1.00 0.00 N ATOM 116 CA VAL A 12 -12.421 -5.773 10.550 1.00 0.00 C ATOM 117 C VAL A 12 -12.359 -7.283 10.347 1.00 0.00 C ATOM 118 O VAL A 12 -12.415 -8.050 11.307 1.00 0.00 O ATOM 119 CB VAL A 12 -11.921 -5.436 11.967 1.00 0.00 C ATOM 120 CG1 VAL A 12 -11.632 -3.948 12.092 1.00 0.00 C ATOM 121 CG2 VAL A 12 -12.936 -5.879 13.010 1.00 0.00 C ATOM 0 H VAL A 12 -14.374 -5.303 11.151 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.777 -5.284 9.819 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.992 -5.978 12.143 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.280 -3.729 13.100 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.866 -3.664 11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.543 -3.383 11.895 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.566 -5.633 14.005 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.882 -5.366 12.838 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.088 -6.956 12.935 1.00 0.00 H new ATOM 131 N GLN A 13 -12.241 -7.701 9.091 1.00 0.00 N ATOM 132 CA GLN A 13 -12.172 -9.119 8.762 1.00 0.00 C ATOM 133 C GLN A 13 -11.313 -9.349 7.522 1.00 0.00 C ATOM 134 O GLN A 13 -11.177 -8.465 6.676 1.00 0.00 O ATOM 135 CB GLN A 13 -13.576 -9.682 8.535 1.00 0.00 C ATOM 136 CG GLN A 13 -14.341 -8.979 7.425 1.00 0.00 C ATOM 137 CD GLN A 13 -13.809 -9.314 6.046 1.00 0.00 C ATOM 138 OE1 GLN A 13 -13.220 -8.468 5.372 1.00 0.00 O ATOM 139 NE2 GLN A 13 -14.013 -10.554 5.618 1.00 0.00 N ATOM 0 H GLN A 13 -12.191 -7.078 8.285 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.712 -9.638 9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.499 -10.743 8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.144 -9.604 9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.393 -9.257 7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.288 -7.901 7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.506 -11.223 6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.677 -10.838 4.698 1.00 0.00 H new ATOM 148 N ASP A 14 -10.735 -10.541 7.422 1.00 0.00 N ATOM 149 CA ASP A 14 -9.889 -10.888 6.286 1.00 0.00 C ATOM 150 C ASP A 14 -10.023 -12.367 5.940 1.00 0.00 C ATOM 151 O ASP A 14 -10.186 -13.221 6.812 1.00 0.00 O ATOM 152 CB ASP A 14 -8.428 -10.552 6.589 1.00 0.00 C ATOM 153 CG ASP A 14 -7.697 -11.700 7.257 1.00 0.00 C ATOM 154 OD1 ASP A 14 -7.445 -12.718 6.579 1.00 0.00 O ATOM 155 OD2 ASP A 14 -7.375 -11.579 8.457 1.00 0.00 O ATOM 0 H ASP A 14 -10.837 -11.283 8.114 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.218 -10.302 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.918 -10.291 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.386 -9.674 7.234 1.00 0.00 H new ATOM 160 N PRO A 15 -9.954 -12.680 4.637 1.00 0.00 N ATOM 161 CA PRO A 15 -10.066 -14.056 4.146 1.00 0.00 C ATOM 162 C PRO A 15 -8.852 -14.903 4.514 1.00 0.00 C ATOM 163 O PRO A 15 -8.815 -15.525 5.577 1.00 0.00 O ATOM 164 CB PRO A 15 -10.158 -13.885 2.628 1.00 0.00 C ATOM 165 CG PRO A 15 -9.483 -12.586 2.352 1.00 0.00 C ATOM 166 CD PRO A 15 -9.761 -11.713 3.544 1.00 0.00 C ATOM 0 HA PRO A 15 -10.919 -14.576 4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.666 -14.706 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.195 -13.871 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.411 -12.725 2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.868 -12.133 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.932 -11.036 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.647 -11.096 3.392 1.00 0.00 H new ATOM 174 N HIS A 16 -7.860 -14.923 3.630 1.00 0.00 N ATOM 175 CA HIS A 16 -6.643 -15.693 3.863 1.00 0.00 C ATOM 176 C HIS A 16 -5.449 -14.770 4.081 1.00 0.00 C ATOM 177 O HIS A 16 -4.306 -15.142 3.813 1.00 0.00 O ATOM 178 CB HIS A 16 -6.372 -16.627 2.682 1.00 0.00 C ATOM 179 CG HIS A 16 -7.418 -17.683 2.501 1.00 0.00 C ATOM 180 ND1 HIS A 16 -8.741 -17.677 2.787 1.00 0.00 N flip ATOM 181 CD2 HIS A 16 -7.148 -18.926 1.970 1.00 0.00 C flip ATOM 182 CE1 HIS A 16 -9.242 -18.903 2.425 1.00 0.00 C flip ATOM 183 NE2 HIS A 16 -8.260 -19.639 1.934 1.00 0.00 N flip ATOM 0 H HIS A 16 -7.875 -14.415 2.746 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.787 -16.290 4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.304 -16.035 1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.404 -17.107 2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.179 -19.265 1.635 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.271 -19.215 2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.346 -20.594 1.587 1.00 0.00 H new ATOM 192 N LEU A 17 -5.721 -13.564 4.567 1.00 0.00 N ATOM 193 CA LEU A 17 -4.669 -12.586 4.821 1.00 0.00 C ATOM 194 C LEU A 17 -3.674 -13.111 5.851 1.00 0.00 C ATOM 195 O LEU A 17 -3.965 -13.146 7.047 1.00 0.00 O ATOM 196 CB LEU A 17 -5.276 -11.268 5.306 1.00 0.00 C ATOM 197 CG LEU A 17 -4.503 -9.999 4.945 1.00 0.00 C ATOM 198 CD1 LEU A 17 -3.060 -10.101 5.414 1.00 0.00 C ATOM 199 CD2 LEU A 17 -4.562 -9.748 3.445 1.00 0.00 C ATOM 0 H LEU A 17 -6.661 -13.240 4.793 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.137 -12.411 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.284 -11.184 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.373 -11.314 6.391 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.969 -9.155 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.526 -9.189 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.037 -10.233 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.581 -10.955 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.007 -8.841 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.121 -10.593 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.601 -9.630 3.137 1.00 0.00 H new ATOM 211 N ILE A 18 -2.500 -13.516 5.380 1.00 0.00 N ATOM 212 CA ILE A 18 -1.461 -14.036 6.260 1.00 0.00 C ATOM 213 C ILE A 18 -0.324 -13.032 6.422 1.00 0.00 C ATOM 214 O ILE A 18 -0.282 -12.009 5.739 1.00 0.00 O ATOM 215 CB ILE A 18 -0.888 -15.364 5.732 1.00 0.00 C ATOM 216 CG1 ILE A 18 -0.310 -15.172 4.328 1.00 0.00 C ATOM 217 CG2 ILE A 18 -1.963 -16.440 5.726 1.00 0.00 C ATOM 218 CD1 ILE A 18 0.830 -16.114 4.010 1.00 0.00 C ATOM 0 H ILE A 18 -2.244 -13.494 4.393 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.928 -14.212 7.229 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.085 -15.685 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.104 -15.314 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.039 -14.144 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.542 -17.373 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.332 -16.591 6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.786 -16.128 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.190 -15.921 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.641 -15.956 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.481 -17.144 4.080 1.00 0.00 H new ATOM 230 N LYS A 19 0.598 -13.333 7.330 1.00 0.00 N ATOM 231 CA LYS A 19 1.738 -12.460 7.581 1.00 0.00 C ATOM 232 C LYS A 19 3.022 -13.068 7.025 1.00 0.00 C ATOM 233 O LYS A 19 3.242 -14.276 7.124 1.00 0.00 O ATOM 234 CB LYS A 19 1.891 -12.204 9.082 1.00 0.00 C ATOM 235 CG LYS A 19 2.992 -11.215 9.422 1.00 0.00 C ATOM 236 CD LYS A 19 4.331 -11.911 9.601 1.00 0.00 C ATOM 237 CE LYS A 19 4.480 -12.480 11.003 1.00 0.00 C ATOM 238 NZ LYS A 19 4.587 -11.406 12.029 1.00 0.00 N ATOM 0 H LYS A 19 0.578 -14.176 7.905 1.00 0.00 H new ATOM 0 HA LYS A 19 1.556 -11.512 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.946 -11.832 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.096 -13.150 9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.071 -10.470 8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.733 -10.681 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.426 -12.714 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.138 -11.205 9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.624 -13.115 11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.366 -13.113 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.047 -11.785 12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.153 -10.620 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.636 -11.063 12.273 1.00 0.00 H new ATOM 252 N VAL A 20 3.868 -12.225 6.442 1.00 0.00 N ATOM 253 CA VAL A 20 5.131 -12.679 5.873 1.00 0.00 C ATOM 254 C VAL A 20 6.279 -11.762 6.280 1.00 0.00 C ATOM 255 O VAL A 20 6.269 -10.567 5.982 1.00 0.00 O ATOM 256 CB VAL A 20 5.062 -12.747 4.336 1.00 0.00 C ATOM 257 CG1 VAL A 20 6.454 -12.910 3.746 1.00 0.00 C ATOM 258 CG2 VAL A 20 4.151 -13.882 3.894 1.00 0.00 C ATOM 0 H VAL A 20 3.701 -11.223 6.351 1.00 0.00 H new ATOM 0 HA VAL A 20 5.313 -13.679 6.265 1.00 0.00 H new ATOM 0 HB VAL A 20 4.644 -11.811 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.385 -12.956 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.073 -12.061 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.903 -13.830 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.114 -13.916 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.538 -14.828 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.148 -13.717 4.286 1.00 0.00 H new ATOM 268 N THR A 21 7.269 -12.328 6.962 1.00 0.00 N ATOM 269 CA THR A 21 8.424 -11.561 7.410 1.00 0.00 C ATOM 270 C THR A 21 9.544 -11.598 6.376 1.00 0.00 C ATOM 271 O THR A 21 10.053 -12.666 6.036 1.00 0.00 O ATOM 272 CB THR A 21 8.963 -12.091 8.753 1.00 0.00 C ATOM 273 OG1 THR A 21 8.044 -11.781 9.806 1.00 0.00 O ATOM 274 CG2 THR A 21 10.324 -11.486 9.066 1.00 0.00 C ATOM 0 H THR A 21 7.294 -13.315 7.216 1.00 0.00 H new ATOM 0 HA THR A 21 8.089 -10.532 7.541 1.00 0.00 H new ATOM 0 HB THR A 21 9.073 -13.173 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.217 -10.874 10.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.685 -11.875 10.018 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.029 -11.748 8.277 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.235 -10.401 9.127 1.00 0.00 H new ATOM 282 N VAL A 22 9.923 -10.425 5.879 1.00 0.00 N ATOM 283 CA VAL A 22 10.984 -10.324 4.884 1.00 0.00 C ATOM 284 C VAL A 22 12.340 -10.104 5.547 1.00 0.00 C ATOM 285 O VAL A 22 12.593 -9.052 6.134 1.00 0.00 O ATOM 286 CB VAL A 22 10.717 -9.174 3.894 1.00 0.00 C ATOM 287 CG1 VAL A 22 11.838 -9.080 2.871 1.00 0.00 C ATOM 288 CG2 VAL A 22 9.373 -9.364 3.208 1.00 0.00 C ATOM 0 H VAL A 22 9.511 -9.532 6.149 1.00 0.00 H new ATOM 0 HA VAL A 22 10.998 -11.268 4.339 1.00 0.00 H new ATOM 0 HB VAL A 22 10.686 -8.237 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.632 -8.262 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.783 -8.894 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.904 -10.016 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.200 -8.543 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.373 -10.308 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.581 -9.378 3.957 1.00 0.00 H new ATOM 298 N LYS A 23 13.208 -11.105 5.449 1.00 0.00 N ATOM 299 CA LYS A 23 14.540 -11.022 6.037 1.00 0.00 C ATOM 300 C LYS A 23 15.568 -10.587 4.998 1.00 0.00 C ATOM 301 O LYS A 23 15.916 -11.349 4.096 1.00 0.00 O ATOM 302 CB LYS A 23 14.942 -12.374 6.632 1.00 0.00 C ATOM 303 CG LYS A 23 14.594 -12.518 8.104 1.00 0.00 C ATOM 304 CD LYS A 23 15.578 -13.427 8.823 1.00 0.00 C ATOM 305 CE LYS A 23 16.780 -12.650 9.336 1.00 0.00 C ATOM 306 NZ LYS A 23 16.491 -11.972 10.631 1.00 0.00 N ATOM 0 H LYS A 23 13.013 -11.983 4.968 1.00 0.00 H new ATOM 0 HA LYS A 23 14.513 -10.275 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.450 -13.169 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.016 -12.512 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.593 -11.536 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.586 -12.921 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.078 -13.919 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.913 -14.212 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.624 -13.328 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.075 -11.907 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.335 -11.453 10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.702 -11.306 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.234 -12.683 11.345 1.00 0.00 H new ATOM 320 N THR A 24 16.052 -9.355 5.130 1.00 0.00 N ATOM 321 CA THR A 24 17.040 -8.819 4.203 1.00 0.00 C ATOM 322 C THR A 24 18.386 -8.620 4.889 1.00 0.00 C ATOM 323 O THR A 24 18.474 -8.479 6.109 1.00 0.00 O ATOM 324 CB THR A 24 16.578 -7.477 3.605 1.00 0.00 C ATOM 325 OG1 THR A 24 17.095 -6.390 4.381 1.00 0.00 O ATOM 326 CG2 THR A 24 15.059 -7.397 3.562 1.00 0.00 C ATOM 0 H THR A 24 15.775 -8.710 5.870 1.00 0.00 H new ATOM 0 HA THR A 24 17.149 -9.548 3.400 1.00 0.00 H new ATOM 0 HB THR A 24 16.959 -7.409 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.493 -6.209 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.757 -6.440 3.136 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.669 -8.208 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.661 -7.486 4.573 1.00 0.00 H new ATOM 334 N PRO A 25 19.463 -8.606 4.089 1.00 0.00 N ATOM 335 CA PRO A 25 20.825 -8.423 4.597 1.00 0.00 C ATOM 336 C PRO A 25 21.067 -7.008 5.111 1.00 0.00 C ATOM 337 O PRO A 25 22.183 -6.658 5.495 1.00 0.00 O ATOM 338 CB PRO A 25 21.701 -8.705 3.374 1.00 0.00 C ATOM 339 CG PRO A 25 20.829 -8.402 2.205 1.00 0.00 C ATOM 340 CD PRO A 25 19.432 -8.767 2.625 1.00 0.00 C ATOM 0 HA PRO A 25 21.034 -9.073 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 25 22.594 -8.080 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 25 22.037 -9.742 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 25 20.892 -7.348 1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 25 21.136 -8.975 1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 25 18.690 -8.114 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 25 19.180 -9.788 2.338 1.00 0.00 H new ATOM 348 N LYS A 26 20.015 -6.197 5.115 1.00 0.00 N ATOM 349 CA LYS A 26 20.112 -4.819 5.583 1.00 0.00 C ATOM 350 C LYS A 26 19.077 -4.539 6.668 1.00 0.00 C ATOM 351 O LYS A 26 19.270 -3.665 7.513 1.00 0.00 O ATOM 352 CB LYS A 26 19.918 -3.848 4.417 1.00 0.00 C ATOM 353 CG LYS A 26 20.907 -4.055 3.282 1.00 0.00 C ATOM 354 CD LYS A 26 22.318 -3.669 3.695 1.00 0.00 C ATOM 355 CE LYS A 26 23.343 -4.125 2.668 1.00 0.00 C ATOM 356 NZ LYS A 26 24.726 -3.727 3.050 1.00 0.00 N ATOM 0 H LYS A 26 19.084 -6.470 4.799 1.00 0.00 H new ATOM 0 HA LYS A 26 21.106 -4.675 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.905 -3.957 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.010 -2.827 4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.891 -5.099 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.603 -3.460 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 26 22.380 -2.588 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 26 22.549 -4.113 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 26 23.293 -5.209 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 26 23.098 -3.698 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 25.395 -4.056 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 24.781 -2.691 3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 24.970 -4.155 3.966 1.00 0.00 H new ATOM 370 N ASP A 27 17.979 -5.287 6.640 1.00 0.00 N ATOM 371 CA ASP A 27 16.915 -5.121 7.623 1.00 0.00 C ATOM 372 C ASP A 27 15.826 -6.171 7.427 1.00 0.00 C ATOM 373 O ASP A 27 15.897 -6.992 6.512 1.00 0.00 O ATOM 374 CB ASP A 27 16.312 -3.719 7.522 1.00 0.00 C ATOM 375 CG ASP A 27 17.018 -2.720 8.417 1.00 0.00 C ATOM 376 OD1 ASP A 27 16.907 -2.849 9.655 1.00 0.00 O ATOM 377 OD2 ASP A 27 17.682 -1.808 7.881 1.00 0.00 O ATOM 0 H ASP A 27 17.803 -6.014 5.947 1.00 0.00 H new ATOM 0 HA ASP A 27 17.347 -5.252 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.365 -3.377 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.256 -3.760 7.790 1.00 0.00 H new ATOM 382 N LYS A 28 14.818 -6.140 8.293 1.00 0.00 N ATOM 383 CA LYS A 28 13.713 -7.088 8.217 1.00 0.00 C ATOM 384 C LYS A 28 12.406 -6.436 8.656 1.00 0.00 C ATOM 385 O LYS A 28 12.375 -5.680 9.626 1.00 0.00 O ATOM 386 CB LYS A 28 14.004 -8.312 9.088 1.00 0.00 C ATOM 387 CG LYS A 28 13.649 -8.114 10.552 1.00 0.00 C ATOM 388 CD LYS A 28 12.220 -8.543 10.842 1.00 0.00 C ATOM 389 CE LYS A 28 11.616 -7.735 11.981 1.00 0.00 C ATOM 390 NZ LYS A 28 10.528 -8.480 12.672 1.00 0.00 N ATOM 0 H LYS A 28 14.744 -5.468 9.056 1.00 0.00 H new ATOM 0 HA LYS A 28 13.609 -7.405 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.447 -9.165 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.062 -8.560 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.336 -8.688 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.776 -7.065 10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.613 -8.420 9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.202 -9.603 11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.395 -7.481 12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.223 -6.796 11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.211 -7.941 13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.729 -8.612 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.883 -9.409 12.977 1.00 0.00 H new ATOM 404 N GLU A 29 11.329 -6.737 7.937 1.00 0.00 N ATOM 405 CA GLU A 29 10.020 -6.180 8.254 1.00 0.00 C ATOM 406 C GLU A 29 8.915 -7.196 7.978 1.00 0.00 C ATOM 407 O GLU A 29 9.034 -8.030 7.080 1.00 0.00 O ATOM 408 CB GLU A 29 9.772 -4.907 7.442 1.00 0.00 C ATOM 409 CG GLU A 29 8.788 -3.950 8.095 1.00 0.00 C ATOM 410 CD GLU A 29 9.430 -3.101 9.175 1.00 0.00 C ATOM 411 OE1 GLU A 29 10.310 -2.281 8.839 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.053 -3.256 10.355 1.00 0.00 O ATOM 0 H GLU A 29 11.338 -7.363 7.132 1.00 0.00 H new ATOM 0 HA GLU A 29 10.006 -5.933 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.721 -4.392 7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.398 -5.182 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.360 -3.299 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.965 -4.520 8.527 1.00 0.00 H new ATOM 419 N ASP A 30 7.841 -7.119 8.755 1.00 0.00 N ATOM 420 CA ASP A 30 6.714 -8.030 8.595 1.00 0.00 C ATOM 421 C ASP A 30 5.657 -7.431 7.672 1.00 0.00 C ATOM 422 O ASP A 30 5.338 -6.246 7.764 1.00 0.00 O ATOM 423 CB ASP A 30 6.096 -8.355 9.956 1.00 0.00 C ATOM 424 CG ASP A 30 7.101 -8.259 11.086 1.00 0.00 C ATOM 425 OD1 ASP A 30 7.782 -9.269 11.363 1.00 0.00 O ATOM 426 OD2 ASP A 30 7.208 -7.173 11.694 1.00 0.00 O ATOM 0 H ASP A 30 7.727 -6.435 9.503 1.00 0.00 H new ATOM 0 HA ASP A 30 7.084 -8.951 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.270 -7.671 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.677 -9.361 9.931 1.00 0.00 H new ATOM 431 N PHE A 31 5.118 -8.258 6.783 1.00 0.00 N ATOM 432 CA PHE A 31 4.099 -7.810 5.841 1.00 0.00 C ATOM 433 C PHE A 31 2.823 -8.633 5.988 1.00 0.00 C ATOM 434 O PHE A 31 2.826 -9.699 6.604 1.00 0.00 O ATOM 435 CB PHE A 31 4.620 -7.909 4.406 1.00 0.00 C ATOM 436 CG PHE A 31 5.712 -6.924 4.096 1.00 0.00 C ATOM 437 CD1 PHE A 31 6.982 -7.089 4.625 1.00 0.00 C ATOM 438 CD2 PHE A 31 5.468 -5.835 3.275 1.00 0.00 C ATOM 439 CE1 PHE A 31 7.988 -6.184 4.341 1.00 0.00 C ATOM 440 CE2 PHE A 31 6.470 -4.927 2.988 1.00 0.00 C ATOM 441 CZ PHE A 31 7.732 -5.103 3.521 1.00 0.00 C ATOM 0 H PHE A 31 5.370 -9.242 6.695 1.00 0.00 H new ATOM 0 HA PHE A 31 3.867 -6.769 6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.992 -8.919 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.792 -7.751 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.188 -7.933 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.483 -5.694 2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.974 -6.323 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.266 -4.081 2.348 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.517 -4.396 3.297 1.00 0.00 H new ATOM 451 N SER A 32 1.732 -8.130 5.419 1.00 0.00 N ATOM 452 CA SER A 32 0.447 -8.816 5.490 1.00 0.00 C ATOM 453 C SER A 32 -0.179 -8.941 4.104 1.00 0.00 C ATOM 454 O SER A 32 -0.518 -7.942 3.471 1.00 0.00 O ATOM 455 CB SER A 32 -0.504 -8.068 6.426 1.00 0.00 C ATOM 456 OG SER A 32 -0.719 -6.740 5.979 1.00 0.00 O ATOM 0 H SER A 32 1.712 -7.250 4.904 1.00 0.00 H new ATOM 0 HA SER A 32 0.619 -9.818 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.456 -8.596 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.090 -8.053 7.434 1.00 0.00 H new ATOM 0 HG SER A 32 -0.750 -6.726 5.000 1.00 0.00 H new ATOM 462 N VAL A 33 -0.329 -10.178 3.639 1.00 0.00 N ATOM 463 CA VAL A 33 -0.916 -10.435 2.329 1.00 0.00 C ATOM 464 C VAL A 33 -1.636 -11.779 2.304 1.00 0.00 C ATOM 465 O VAL A 33 -1.352 -12.664 3.113 1.00 0.00 O ATOM 466 CB VAL A 33 0.155 -10.419 1.222 1.00 0.00 C ATOM 467 CG1 VAL A 33 0.654 -9.002 0.983 1.00 0.00 C ATOM 468 CG2 VAL A 33 1.307 -11.345 1.581 1.00 0.00 C ATOM 0 H VAL A 33 -0.052 -11.017 4.150 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.635 -9.637 2.142 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.297 -10.781 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.410 -9.010 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.179 -8.369 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.090 -8.610 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.054 -11.321 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.760 -11.016 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.933 -12.362 1.697 1.00 0.00 H new ATOM 478 N THR A 34 -2.570 -11.926 1.370 1.00 0.00 N ATOM 479 CA THR A 34 -3.332 -13.162 1.239 1.00 0.00 C ATOM 480 C THR A 34 -2.473 -14.278 0.657 1.00 0.00 C ATOM 481 O THR A 34 -1.623 -14.038 -0.201 1.00 0.00 O ATOM 482 CB THR A 34 -4.572 -12.965 0.347 1.00 0.00 C ATOM 483 OG1 THR A 34 -4.249 -12.119 -0.762 1.00 0.00 O ATOM 484 CG2 THR A 34 -5.718 -12.355 1.140 1.00 0.00 C ATOM 0 H THR A 34 -2.817 -11.204 0.693 1.00 0.00 H new ATOM 0 HA THR A 34 -3.656 -13.442 2.241 1.00 0.00 H new ATOM 0 HB THR A 34 -4.886 -13.942 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.042 -12.000 -1.325 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.583 -12.225 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.981 -13.016 1.966 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.412 -11.386 1.534 1.00 0.00 H new ATOM 492 N ASP A 35 -2.701 -15.500 1.127 1.00 0.00 N ATOM 493 CA ASP A 35 -1.949 -16.655 0.651 1.00 0.00 C ATOM 494 C ASP A 35 -2.033 -16.770 -0.868 1.00 0.00 C ATOM 495 O ASP A 35 -1.130 -17.306 -1.512 1.00 0.00 O ATOM 496 CB ASP A 35 -2.474 -17.936 1.301 1.00 0.00 C ATOM 497 CG ASP A 35 -3.704 -18.479 0.600 1.00 0.00 C ATOM 498 OD1 ASP A 35 -4.580 -17.671 0.228 1.00 0.00 O ATOM 499 OD2 ASP A 35 -3.789 -19.712 0.423 1.00 0.00 O ATOM 0 H ASP A 35 -3.401 -15.716 1.837 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.904 -16.517 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.690 -18.693 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.713 -17.738 2.346 1.00 0.00 H new ATOM 504 N THR A 36 -3.123 -16.263 -1.436 1.00 0.00 N ATOM 505 CA THR A 36 -3.326 -16.311 -2.878 1.00 0.00 C ATOM 506 C THR A 36 -2.419 -15.317 -3.594 1.00 0.00 C ATOM 507 O THR A 36 -2.162 -15.448 -4.792 1.00 0.00 O ATOM 508 CB THR A 36 -4.791 -16.011 -3.249 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.997 -16.233 -4.649 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.155 -14.576 -2.899 1.00 0.00 C ATOM 0 H THR A 36 -3.879 -15.814 -0.919 1.00 0.00 H new ATOM 0 HA THR A 36 -3.077 -17.323 -3.199 1.00 0.00 H new ATOM 0 HB THR A 36 -5.432 -16.681 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.170 -16.038 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.194 -14.388 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.025 -14.418 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.507 -13.892 -3.448 1.00 0.00 H new ATOM 518 N CYS A 37 -1.935 -14.326 -2.855 1.00 0.00 N ATOM 519 CA CYS A 37 -1.055 -13.309 -3.420 1.00 0.00 C ATOM 520 C CYS A 37 0.127 -13.952 -4.138 1.00 0.00 C ATOM 521 O CYS A 37 0.617 -15.006 -3.730 1.00 0.00 O ATOM 522 CB CYS A 37 -0.552 -12.372 -2.321 1.00 0.00 C ATOM 523 SG CYS A 37 0.545 -11.062 -2.913 1.00 0.00 S ATOM 0 H CYS A 37 -2.137 -14.205 -1.863 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.627 -12.731 -4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.410 -11.917 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.025 -12.960 -1.570 1.00 0.00 H new ATOM 0 HG CYS A 37 1.514 -11.586 -3.602 1.00 0.00 H new ATOM 529 N THR A 38 0.582 -13.311 -5.210 1.00 0.00 N ATOM 530 CA THR A 38 1.705 -13.821 -5.987 1.00 0.00 C ATOM 531 C THR A 38 3.023 -13.232 -5.499 1.00 0.00 C ATOM 532 O THR A 38 3.040 -12.216 -4.803 1.00 0.00 O ATOM 533 CB THR A 38 1.539 -13.508 -7.486 1.00 0.00 C ATOM 534 OG1 THR A 38 0.946 -12.215 -7.654 1.00 0.00 O ATOM 535 CG2 THR A 38 0.676 -14.560 -8.166 1.00 0.00 C ATOM 0 H THR A 38 0.190 -12.437 -5.560 1.00 0.00 H new ATOM 0 HA THR A 38 1.720 -14.902 -5.849 1.00 0.00 H new ATOM 0 HB THR A 38 2.526 -13.517 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.248 -11.824 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.573 -14.318 -9.224 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.145 -15.538 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.309 -14.579 -7.700 1.00 0.00 H new ATOM 543 N ILE A 39 4.126 -13.875 -5.868 1.00 0.00 N ATOM 544 CA ILE A 39 5.449 -13.412 -5.469 1.00 0.00 C ATOM 545 C ILE A 39 5.725 -12.010 -6.000 1.00 0.00 C ATOM 546 O ILE A 39 6.167 -11.132 -5.260 1.00 0.00 O ATOM 547 CB ILE A 39 6.552 -14.364 -5.968 1.00 0.00 C ATOM 548 CG1 ILE A 39 6.367 -15.757 -5.362 1.00 0.00 C ATOM 549 CG2 ILE A 39 7.926 -13.809 -5.624 1.00 0.00 C ATOM 550 CD1 ILE A 39 6.203 -15.745 -3.859 1.00 0.00 C ATOM 0 H ILE A 39 4.129 -14.718 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 39 5.461 -13.393 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 39 6.476 -14.447 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.492 -16.226 -5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.228 -16.374 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.695 -14.493 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.055 -12.836 -6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.014 -13.699 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.077 -16.766 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.088 -15.305 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.326 -15.155 -3.593 1.00 0.00 H new ATOM 562 N GLN A 40 5.459 -11.807 -7.287 1.00 0.00 N ATOM 563 CA GLN A 40 5.678 -10.510 -7.916 1.00 0.00 C ATOM 564 C GLN A 40 4.859 -9.425 -7.226 1.00 0.00 C ATOM 565 O GLN A 40 5.311 -8.289 -7.087 1.00 0.00 O ATOM 566 CB GLN A 40 5.315 -10.573 -9.401 1.00 0.00 C ATOM 567 CG GLN A 40 3.825 -10.730 -9.657 1.00 0.00 C ATOM 568 CD GLN A 40 3.109 -9.399 -9.771 1.00 0.00 C ATOM 569 OE1 GLN A 40 2.095 -9.168 -9.111 1.00 0.00 O ATOM 570 NE2 GLN A 40 3.634 -8.514 -10.610 1.00 0.00 N ATOM 0 H GLN A 40 5.092 -12.523 -7.913 1.00 0.00 H new ATOM 0 HA GLN A 40 6.734 -10.260 -7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.666 -9.665 -9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.844 -11.408 -9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.676 -11.298 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.380 -11.309 -8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.476 -8.748 -11.137 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.196 -7.600 -10.728 1.00 0.00 H new ATOM 579 N GLN A 41 3.653 -9.784 -6.796 1.00 0.00 N ATOM 580 CA GLN A 41 2.771 -8.839 -6.121 1.00 0.00 C ATOM 581 C GLN A 41 3.414 -8.312 -4.842 1.00 0.00 C ATOM 582 O GLN A 41 3.257 -7.142 -4.492 1.00 0.00 O ATOM 583 CB GLN A 41 1.431 -9.502 -5.797 1.00 0.00 C ATOM 584 CG GLN A 41 0.368 -9.276 -6.860 1.00 0.00 C ATOM 585 CD GLN A 41 -1.040 -9.360 -6.304 1.00 0.00 C ATOM 586 OE1 GLN A 41 -1.603 -8.362 -5.854 1.00 0.00 O ATOM 587 NE2 GLN A 41 -1.617 -10.556 -6.333 1.00 0.00 N ATOM 0 H GLN A 41 3.265 -10.721 -6.903 1.00 0.00 H new ATOM 0 HA GLN A 41 2.599 -7.998 -6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.586 -10.574 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.067 -9.119 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.517 -8.297 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.487 -10.017 -7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.113 -11.356 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.564 -10.674 -5.973 1.00 0.00 H new ATOM 596 N LEU A 42 4.138 -9.183 -4.148 1.00 0.00 N ATOM 597 CA LEU A 42 4.805 -8.807 -2.907 1.00 0.00 C ATOM 598 C LEU A 42 5.874 -7.749 -3.162 1.00 0.00 C ATOM 599 O LEU A 42 5.876 -6.688 -2.537 1.00 0.00 O ATOM 600 CB LEU A 42 5.435 -10.036 -2.250 1.00 0.00 C ATOM 601 CG LEU A 42 6.183 -9.788 -0.940 1.00 0.00 C ATOM 602 CD1 LEU A 42 5.332 -8.964 0.014 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.584 -11.107 -0.296 1.00 0.00 C ATOM 0 H LEU A 42 4.278 -10.155 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 42 4.057 -8.387 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.648 -10.767 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.127 -10.488 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 42 7.089 -9.225 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.881 -8.798 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.096 -8.004 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.407 -9.499 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.115 -10.911 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.691 -11.696 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.233 -11.661 -0.974 1.00 0.00 H new ATOM 615 N LYS A 43 6.781 -8.043 -4.087 1.00 0.00 N ATOM 616 CA LYS A 43 7.854 -7.117 -4.429 1.00 0.00 C ATOM 617 C LYS A 43 7.345 -5.679 -4.451 1.00 0.00 C ATOM 618 O LYS A 43 7.781 -4.846 -3.657 1.00 0.00 O ATOM 619 CB LYS A 43 8.453 -7.478 -5.791 1.00 0.00 C ATOM 620 CG LYS A 43 9.561 -8.513 -5.713 1.00 0.00 C ATOM 621 CD LYS A 43 9.019 -9.924 -5.872 1.00 0.00 C ATOM 622 CE LYS A 43 10.000 -10.961 -5.347 1.00 0.00 C ATOM 623 NZ LYS A 43 10.904 -11.461 -6.419 1.00 0.00 N ATOM 0 H LYS A 43 6.794 -8.916 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 43 8.628 -7.199 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.661 -7.854 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.844 -6.574 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.299 -8.316 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.075 -8.426 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.073 -10.014 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.811 -10.118 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.595 -10.525 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.449 -11.797 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.164 -12.448 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.417 -11.408 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.763 -10.876 -6.449 1.00 0.00 H new ATOM 637 N GLU A 44 6.421 -5.397 -5.364 1.00 0.00 N ATOM 638 CA GLU A 44 5.853 -4.059 -5.487 1.00 0.00 C ATOM 639 C GLU A 44 5.636 -3.432 -4.113 1.00 0.00 C ATOM 640 O GLU A 44 5.771 -2.220 -3.945 1.00 0.00 O ATOM 641 CB GLU A 44 4.529 -4.112 -6.251 1.00 0.00 C ATOM 642 CG GLU A 44 4.654 -4.697 -7.647 1.00 0.00 C ATOM 643 CD GLU A 44 3.327 -4.751 -8.379 1.00 0.00 C ATOM 644 OE1 GLU A 44 2.533 -5.674 -8.101 1.00 0.00 O ATOM 645 OE2 GLU A 44 3.082 -3.869 -9.228 1.00 0.00 O ATOM 0 H GLU A 44 6.050 -6.076 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 44 6.559 -3.441 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.814 -4.705 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.121 -3.104 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.359 -4.100 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.068 -5.703 -7.579 1.00 0.00 H new ATOM 652 N GLU A 45 5.299 -4.266 -3.134 1.00 0.00 N ATOM 653 CA GLU A 45 5.062 -3.793 -1.775 1.00 0.00 C ATOM 654 C GLU A 45 6.380 -3.490 -1.067 1.00 0.00 C ATOM 655 O GLU A 45 6.636 -2.352 -0.671 1.00 0.00 O ATOM 656 CB GLU A 45 4.271 -4.833 -0.980 1.00 0.00 C ATOM 657 CG GLU A 45 2.992 -5.280 -1.668 1.00 0.00 C ATOM 658 CD GLU A 45 1.818 -4.369 -1.366 1.00 0.00 C ATOM 659 OE1 GLU A 45 1.756 -3.835 -0.239 1.00 0.00 O ATOM 660 OE2 GLU A 45 0.961 -4.190 -2.256 1.00 0.00 O ATOM 0 H GLU A 45 5.184 -5.272 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 45 4.481 -2.873 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.904 -5.703 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.023 -4.419 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.155 -5.311 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.750 -6.295 -1.353 1.00 0.00 H new ATOM 667 N ILE A 46 7.210 -4.515 -0.912 1.00 0.00 N ATOM 668 CA ILE A 46 8.501 -4.359 -0.252 1.00 0.00 C ATOM 669 C ILE A 46 9.385 -3.368 -1.002 1.00 0.00 C ATOM 670 O ILE A 46 10.419 -2.934 -0.493 1.00 0.00 O ATOM 671 CB ILE A 46 9.241 -5.705 -0.137 1.00 0.00 C ATOM 672 CG1 ILE A 46 9.016 -6.545 -1.396 1.00 0.00 C ATOM 673 CG2 ILE A 46 8.777 -6.459 1.100 1.00 0.00 C ATOM 674 CD1 ILE A 46 9.982 -7.700 -1.532 1.00 0.00 C ATOM 0 H ILE A 46 7.012 -5.462 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 46 8.300 -3.978 0.749 1.00 0.00 H new ATOM 0 HB ILE A 46 10.309 -5.509 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.997 -6.933 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.105 -5.903 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.308 -7.408 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.984 -5.863 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.706 -6.647 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.764 -8.251 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.002 -7.318 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.878 -8.364 -0.674 1.00 0.00 H new ATOM 686 N SER A 47 8.970 -3.013 -2.214 1.00 0.00 N ATOM 687 CA SER A 47 9.726 -2.074 -3.035 1.00 0.00 C ATOM 688 C SER A 47 9.796 -0.703 -2.369 1.00 0.00 C ATOM 689 O SER A 47 10.832 -0.040 -2.398 1.00 0.00 O ATOM 690 CB SER A 47 9.088 -1.948 -4.420 1.00 0.00 C ATOM 691 OG SER A 47 9.048 -3.202 -5.079 1.00 0.00 O ATOM 0 H SER A 47 8.115 -3.361 -2.649 1.00 0.00 H new ATOM 0 HA SER A 47 10.740 -2.458 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.077 -1.552 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.653 -1.236 -5.021 1.00 0.00 H new ATOM 0 HG SER A 47 8.919 -3.915 -4.419 1.00 0.00 H new ATOM 697 N GLN A 48 8.686 -0.286 -1.769 1.00 0.00 N ATOM 698 CA GLN A 48 8.621 1.005 -1.096 1.00 0.00 C ATOM 699 C GLN A 48 9.128 0.898 0.338 1.00 0.00 C ATOM 700 O GLN A 48 9.684 1.851 0.883 1.00 0.00 O ATOM 701 CB GLN A 48 7.186 1.537 -1.103 1.00 0.00 C ATOM 702 CG GLN A 48 6.247 0.764 -0.192 1.00 0.00 C ATOM 703 CD GLN A 48 4.821 0.741 -0.708 1.00 0.00 C ATOM 704 OE1 GLN A 48 4.532 1.251 -1.790 1.00 0.00 O ATOM 705 NE2 GLN A 48 3.921 0.146 0.066 1.00 0.00 N ATOM 0 H GLN A 48 7.820 -0.824 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 48 9.262 1.701 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.194 2.584 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.800 1.504 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.608 -0.259 -0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.262 1.210 0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.205 -0.264 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.946 0.099 -0.229 1.00 0.00 H new ATOM 714 N ARG A 49 8.932 -0.269 0.944 1.00 0.00 N ATOM 715 CA ARG A 49 9.368 -0.500 2.316 1.00 0.00 C ATOM 716 C ARG A 49 10.889 -0.608 2.392 1.00 0.00 C ATOM 717 O ARG A 49 11.515 -0.066 3.302 1.00 0.00 O ATOM 718 CB ARG A 49 8.727 -1.774 2.870 1.00 0.00 C ATOM 719 CG ARG A 49 7.365 -1.544 3.504 1.00 0.00 C ATOM 720 CD ARG A 49 7.490 -0.868 4.860 1.00 0.00 C ATOM 721 NE ARG A 49 6.187 -0.650 5.484 1.00 0.00 N ATOM 722 CZ ARG A 49 6.007 0.102 6.565 1.00 0.00 C ATOM 723 NH1 ARG A 49 7.040 0.704 7.138 1.00 0.00 N ATOM 724 NH2 ARG A 49 4.791 0.252 7.074 1.00 0.00 N ATOM 0 H ARG A 49 8.474 -1.069 0.506 1.00 0.00 H new ATOM 0 HA ARG A 49 9.050 0.350 2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.625 -2.500 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.394 -2.213 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.754 -0.928 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.849 -2.498 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.108 -1.482 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.001 0.088 4.743 1.00 0.00 H new ATOM 0 HE ARG A 49 5.371 -1.099 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.976 0.591 6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.898 1.280 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.994 -0.210 6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.653 0.829 7.904 1.00 0.00 H new ATOM 738 N PHE A 50 11.475 -1.313 1.430 1.00 0.00 N ATOM 739 CA PHE A 50 12.922 -1.494 1.388 1.00 0.00 C ATOM 740 C PHE A 50 13.562 -0.530 0.394 1.00 0.00 C ATOM 741 O PHE A 50 14.782 -0.371 0.363 1.00 0.00 O ATOM 742 CB PHE A 50 13.266 -2.937 1.012 1.00 0.00 C ATOM 743 CG PHE A 50 13.114 -3.905 2.150 1.00 0.00 C ATOM 744 CD1 PHE A 50 14.100 -4.018 3.117 1.00 0.00 C ATOM 745 CD2 PHE A 50 11.987 -4.704 2.251 1.00 0.00 C ATOM 746 CE1 PHE A 50 13.963 -4.908 4.166 1.00 0.00 C ATOM 747 CE2 PHE A 50 11.844 -5.596 3.298 1.00 0.00 C ATOM 748 CZ PHE A 50 12.834 -5.699 4.256 1.00 0.00 C ATOM 0 H PHE A 50 10.971 -1.768 0.669 1.00 0.00 H new ATOM 0 HA PHE A 50 13.319 -1.280 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.625 -3.252 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.293 -2.974 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.986 -3.404 3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.211 -4.629 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.738 -4.985 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.959 -6.212 3.367 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.726 -6.396 5.073 1.00 0.00 H new ATOM 758 N LYS A 51 12.729 0.110 -0.420 1.00 0.00 N ATOM 759 CA LYS A 51 13.212 1.059 -1.417 1.00 0.00 C ATOM 760 C LYS A 51 14.016 0.348 -2.500 1.00 0.00 C ATOM 761 O LYS A 51 15.107 0.786 -2.864 1.00 0.00 O ATOM 762 CB LYS A 51 14.071 2.136 -0.751 1.00 0.00 C ATOM 763 CG LYS A 51 13.384 2.831 0.411 1.00 0.00 C ATOM 764 CD LYS A 51 12.180 3.634 -0.053 1.00 0.00 C ATOM 765 CE LYS A 51 11.675 4.563 1.040 1.00 0.00 C ATOM 766 NZ LYS A 51 10.693 3.888 1.932 1.00 0.00 N ATOM 0 H LYS A 51 11.716 -0.011 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 51 12.347 1.531 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.996 1.682 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.347 2.881 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.067 2.089 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.092 3.491 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.448 4.218 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.382 2.955 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.518 4.919 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.211 5.439 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.106 4.603 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.086 3.260 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.201 3.328 2.646 1.00 0.00 H new ATOM 780 N ALA A 52 13.470 -0.749 -3.013 1.00 0.00 N ATOM 781 CA ALA A 52 14.136 -1.518 -4.057 1.00 0.00 C ATOM 782 C ALA A 52 13.150 -1.940 -5.141 1.00 0.00 C ATOM 783 O ALA A 52 12.085 -2.484 -4.848 1.00 0.00 O ATOM 784 CB ALA A 52 14.820 -2.739 -3.459 1.00 0.00 C ATOM 0 H ALA A 52 12.568 -1.126 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 52 14.891 -0.881 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.313 -3.304 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.561 -2.419 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.077 -3.370 -2.972 1.00 0.00 H new ATOM 790 N HIS A 53 13.512 -1.685 -6.395 1.00 0.00 N ATOM 791 CA HIS A 53 12.659 -2.039 -7.523 1.00 0.00 C ATOM 792 C HIS A 53 12.221 -3.498 -7.437 1.00 0.00 C ATOM 793 O HIS A 53 13.002 -4.387 -7.098 1.00 0.00 O ATOM 794 CB HIS A 53 13.392 -1.792 -8.842 1.00 0.00 C ATOM 795 CG HIS A 53 12.492 -1.354 -9.955 1.00 0.00 C ATOM 796 ND1 HIS A 53 11.851 -2.238 -10.798 1.00 0.00 N ATOM 797 CD2 HIS A 53 12.125 -0.116 -10.362 1.00 0.00 C ATOM 798 CE1 HIS A 53 11.130 -1.563 -11.675 1.00 0.00 C ATOM 799 NE2 HIS A 53 11.279 -0.273 -11.432 1.00 0.00 N ATOM 0 H HIS A 53 14.390 -1.235 -6.655 1.00 0.00 H new ATOM 0 HA HIS A 53 11.771 -1.408 -7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.158 -1.033 -8.685 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.905 -2.706 -9.139 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.439 0.821 -9.926 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.522 -1.993 -12.458 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.837 0.484 -11.954 1.00 0.00 H new ATOM 808 N PRO A 54 10.941 -3.752 -7.750 1.00 0.00 N ATOM 809 CA PRO A 54 10.371 -5.102 -7.714 1.00 0.00 C ATOM 810 C PRO A 54 10.920 -5.993 -8.823 1.00 0.00 C ATOM 811 O PRO A 54 10.557 -7.164 -8.929 1.00 0.00 O ATOM 812 CB PRO A 54 8.873 -4.859 -7.917 1.00 0.00 C ATOM 813 CG PRO A 54 8.795 -3.565 -8.651 1.00 0.00 C ATOM 814 CD PRO A 54 9.953 -2.741 -8.162 1.00 0.00 C ATOM 0 HA PRO A 54 10.612 -5.621 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.415 -5.666 -8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.348 -4.805 -6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.856 -3.723 -9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.848 -3.062 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.344 -2.093 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.666 -2.098 -7.330 1.00 0.00 H new ATOM 822 N ASP A 55 11.798 -5.430 -9.647 1.00 0.00 N ATOM 823 CA ASP A 55 12.400 -6.175 -10.747 1.00 0.00 C ATOM 824 C ASP A 55 13.768 -6.719 -10.351 1.00 0.00 C ATOM 825 O ASP A 55 14.459 -7.337 -11.161 1.00 0.00 O ATOM 826 CB ASP A 55 12.530 -5.283 -11.983 1.00 0.00 C ATOM 827 CG ASP A 55 11.183 -4.886 -12.555 1.00 0.00 C ATOM 828 OD1 ASP A 55 10.327 -4.411 -11.781 1.00 0.00 O ATOM 829 OD2 ASP A 55 10.986 -5.052 -13.777 1.00 0.00 O ATOM 0 H ASP A 55 12.108 -4.461 -9.574 1.00 0.00 H new ATOM 0 HA ASP A 55 11.749 -7.017 -10.982 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.090 -4.385 -11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.106 -5.807 -12.746 1.00 0.00 H new ATOM 834 N GLN A 56 14.154 -6.484 -9.101 1.00 0.00 N ATOM 835 CA GLN A 56 15.441 -6.950 -8.598 1.00 0.00 C ATOM 836 C GLN A 56 15.260 -7.806 -7.349 1.00 0.00 C ATOM 837 O GLN A 56 15.977 -8.787 -7.146 1.00 0.00 O ATOM 838 CB GLN A 56 16.352 -5.761 -8.289 1.00 0.00 C ATOM 839 CG GLN A 56 15.610 -4.551 -7.744 1.00 0.00 C ATOM 840 CD GLN A 56 16.490 -3.321 -7.647 1.00 0.00 C ATOM 841 OE1 GLN A 56 16.823 -2.700 -8.657 1.00 0.00 O ATOM 842 NE2 GLN A 56 16.873 -2.961 -6.427 1.00 0.00 N ATOM 0 H GLN A 56 13.594 -5.974 -8.418 1.00 0.00 H new ATOM 0 HA GLN A 56 15.905 -7.563 -9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 56 17.106 -6.070 -7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.881 -5.473 -9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.757 -4.333 -8.387 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.213 -4.788 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.574 -3.504 -5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.466 -2.141 -6.300 1.00 0.00 H new ATOM 851 N LEU A 57 14.299 -7.428 -6.513 1.00 0.00 N ATOM 852 CA LEU A 57 14.024 -8.161 -5.282 1.00 0.00 C ATOM 853 C LEU A 57 14.025 -9.666 -5.533 1.00 0.00 C ATOM 854 O LEU A 57 13.400 -10.150 -6.476 1.00 0.00 O ATOM 855 CB LEU A 57 12.677 -7.731 -4.700 1.00 0.00 C ATOM 856 CG LEU A 57 12.478 -6.227 -4.507 1.00 0.00 C ATOM 857 CD1 LEU A 57 11.203 -5.953 -3.726 1.00 0.00 C ATOM 858 CD2 LEU A 57 13.680 -5.616 -3.802 1.00 0.00 C ATOM 0 H LEU A 57 13.697 -6.618 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 57 14.813 -7.930 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.887 -8.101 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.548 -8.221 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 57 12.384 -5.763 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.078 -4.878 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.349 -6.355 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.266 -6.429 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.521 -4.545 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.806 -6.084 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.576 -5.780 -4.401 1.00 0.00 H new ATOM 870 N VAL A 58 14.730 -10.402 -4.679 1.00 0.00 N ATOM 871 CA VAL A 58 14.810 -11.852 -4.805 1.00 0.00 C ATOM 872 C VAL A 58 14.360 -12.541 -3.522 1.00 0.00 C ATOM 873 O VAL A 58 14.976 -12.380 -2.468 1.00 0.00 O ATOM 874 CB VAL A 58 16.242 -12.308 -5.144 1.00 0.00 C ATOM 875 CG1 VAL A 58 16.290 -13.815 -5.346 1.00 0.00 C ATOM 876 CG2 VAL A 58 16.755 -11.580 -6.378 1.00 0.00 C ATOM 0 H VAL A 58 15.254 -10.017 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 58 14.144 -12.136 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 58 16.892 -12.057 -4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.310 -14.118 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.967 -14.315 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.628 -14.094 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.768 -11.914 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.105 -11.797 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.761 -10.506 -6.191 1.00 0.00 H new ATOM 886 N LEU A 59 13.281 -13.311 -3.618 1.00 0.00 N ATOM 887 CA LEU A 59 12.747 -14.026 -2.465 1.00 0.00 C ATOM 888 C LEU A 59 13.276 -15.456 -2.418 1.00 0.00 C ATOM 889 O LEU A 59 13.319 -16.146 -3.437 1.00 0.00 O ATOM 890 CB LEU A 59 11.217 -14.037 -2.510 1.00 0.00 C ATOM 891 CG LEU A 59 10.525 -12.728 -2.132 1.00 0.00 C ATOM 892 CD1 LEU A 59 9.015 -12.909 -2.108 1.00 0.00 C ATOM 893 CD2 LEU A 59 11.025 -12.230 -0.784 1.00 0.00 C ATOM 0 H LEU A 59 12.759 -13.456 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 59 13.074 -13.507 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.905 -14.312 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.859 -14.820 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 59 10.769 -11.980 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.540 -11.966 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.670 -13.219 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.752 -13.672 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.521 -11.297 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.812 -12.976 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.100 -12.059 -0.835 1.00 0.00 H new ATOM 905 N ILE A 60 13.675 -15.895 -1.229 1.00 0.00 N ATOM 906 CA ILE A 60 14.198 -17.244 -1.049 1.00 0.00 C ATOM 907 C ILE A 60 13.515 -17.947 0.119 1.00 0.00 C ATOM 908 O ILE A 60 13.590 -17.492 1.261 1.00 0.00 O ATOM 909 CB ILE A 60 15.719 -17.230 -0.808 1.00 0.00 C ATOM 910 CG1 ILE A 60 16.455 -16.798 -2.078 1.00 0.00 C ATOM 911 CG2 ILE A 60 16.195 -18.602 -0.354 1.00 0.00 C ATOM 912 CD1 ILE A 60 17.769 -16.101 -1.807 1.00 0.00 C ATOM 0 H ILE A 60 13.646 -15.336 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 60 13.989 -17.789 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 60 15.941 -16.510 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.640 -17.676 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 60 15.811 -16.132 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.272 -18.577 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.691 -18.874 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 60 15.964 -19.340 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 60 18.235 -15.823 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 17.590 -15.204 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 60 18.431 -16.772 -1.259 1.00 0.00 H new ATOM 924 N PHE A 61 12.850 -19.059 -0.174 1.00 0.00 N ATOM 925 CA PHE A 61 12.154 -19.827 0.852 1.00 0.00 C ATOM 926 C PHE A 61 12.354 -21.325 0.640 1.00 0.00 C ATOM 927 O PHE A 61 12.393 -21.802 -0.493 1.00 0.00 O ATOM 928 CB PHE A 61 10.661 -19.494 0.843 1.00 0.00 C ATOM 929 CG PHE A 61 9.897 -20.134 1.967 1.00 0.00 C ATOM 930 CD1 PHE A 61 9.431 -21.434 1.853 1.00 0.00 C ATOM 931 CD2 PHE A 61 9.644 -19.436 3.137 1.00 0.00 C ATOM 932 CE1 PHE A 61 8.729 -22.027 2.885 1.00 0.00 C ATOM 933 CE2 PHE A 61 8.943 -20.024 4.172 1.00 0.00 C ATOM 934 CZ PHE A 61 8.483 -21.320 4.046 1.00 0.00 C ATOM 0 H PHE A 61 12.778 -19.449 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 61 12.574 -19.556 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.538 -18.412 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.231 -19.814 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.619 -21.990 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.999 -18.421 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.373 -23.042 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.755 -19.470 5.080 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.932 -21.780 4.853 1.00 0.00 H new ATOM 944 N ALA A 62 12.482 -22.060 1.740 1.00 0.00 N ATOM 945 CA ALA A 62 12.676 -23.503 1.676 1.00 0.00 C ATOM 946 C ALA A 62 13.868 -23.857 0.793 1.00 0.00 C ATOM 947 O ALA A 62 13.917 -24.936 0.203 1.00 0.00 O ATOM 948 CB ALA A 62 11.416 -24.183 1.163 1.00 0.00 C ATOM 0 H ALA A 62 12.455 -21.680 2.686 1.00 0.00 H new ATOM 0 HA ALA A 62 12.884 -23.862 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.576 -25.260 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.586 -23.965 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.182 -23.811 0.165 1.00 0.00 H new ATOM 954 N GLY A 63 14.828 -22.941 0.707 1.00 0.00 N ATOM 955 CA GLY A 63 16.006 -23.176 -0.107 1.00 0.00 C ATOM 956 C GLY A 63 15.701 -23.145 -1.592 1.00 0.00 C ATOM 957 O GLY A 63 16.398 -23.772 -2.390 1.00 0.00 O ATOM 0 H GLY A 63 14.811 -22.041 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.758 -22.421 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.436 -24.144 0.152 1.00 0.00 H new ATOM 961 N LYS A 64 14.656 -22.414 -1.964 1.00 0.00 N ATOM 962 CA LYS A 64 14.258 -22.303 -3.362 1.00 0.00 C ATOM 963 C LYS A 64 13.694 -20.917 -3.659 1.00 0.00 C ATOM 964 O LYS A 64 12.974 -20.342 -2.842 1.00 0.00 O ATOM 965 CB LYS A 64 13.218 -23.373 -3.705 1.00 0.00 C ATOM 966 CG LYS A 64 11.925 -23.237 -2.919 1.00 0.00 C ATOM 967 CD LYS A 64 10.806 -24.053 -3.544 1.00 0.00 C ATOM 968 CE LYS A 64 9.444 -23.627 -3.016 1.00 0.00 C ATOM 969 NZ LYS A 64 9.010 -22.324 -3.591 1.00 0.00 N ATOM 0 H LYS A 64 14.069 -21.889 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 64 15.144 -22.455 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.993 -23.321 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.646 -24.358 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.086 -23.565 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.632 -22.188 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.830 -23.936 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.964 -25.111 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.706 -24.393 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.484 -23.550 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.613 -21.727 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.827 -21.844 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.286 -22.490 -4.319 1.00 0.00 H new ATOM 983 N ILE A 65 14.025 -20.388 -4.832 1.00 0.00 N ATOM 984 CA ILE A 65 13.549 -19.071 -5.236 1.00 0.00 C ATOM 985 C ILE A 65 12.077 -19.115 -5.629 1.00 0.00 C ATOM 986 O ILE A 65 11.702 -19.766 -6.606 1.00 0.00 O ATOM 987 CB ILE A 65 14.367 -18.515 -6.417 1.00 0.00 C ATOM 988 CG1 ILE A 65 15.810 -18.247 -5.985 1.00 0.00 C ATOM 989 CG2 ILE A 65 13.725 -17.245 -6.955 1.00 0.00 C ATOM 990 CD1 ILE A 65 15.947 -17.087 -5.023 1.00 0.00 C ATOM 0 H ILE A 65 14.620 -20.851 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 65 13.673 -18.413 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 65 14.378 -19.259 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.214 -19.145 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.415 -18.048 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.315 -16.864 -7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 65 12.713 -17.465 -7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.686 -16.494 -6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.996 -16.955 -4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.574 -16.178 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.370 -17.292 -4.121 1.00 0.00 H new ATOM 1002 N LEU A 66 11.245 -18.418 -4.863 1.00 0.00 N ATOM 1003 CA LEU A 66 9.811 -18.376 -5.131 1.00 0.00 C ATOM 1004 C LEU A 66 9.539 -17.927 -6.563 1.00 0.00 C ATOM 1005 O LEU A 66 10.221 -17.049 -7.091 1.00 0.00 O ATOM 1006 CB LEU A 66 9.116 -17.433 -4.148 1.00 0.00 C ATOM 1007 CG LEU A 66 9.509 -17.587 -2.678 1.00 0.00 C ATOM 1008 CD1 LEU A 66 8.635 -16.707 -1.797 1.00 0.00 C ATOM 1009 CD2 LEU A 66 9.406 -19.044 -2.249 1.00 0.00 C ATOM 0 H LEU A 66 11.538 -17.874 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 66 9.412 -19.382 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.322 -16.407 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.039 -17.581 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 66 10.545 -17.267 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.929 -16.830 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.758 -15.664 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.591 -16.996 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.689 -19.135 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.381 -19.390 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.074 -19.651 -2.860 1.00 0.00 H new ATOM 1021 N LYS A 67 8.534 -18.534 -7.187 1.00 0.00 N ATOM 1022 CA LYS A 67 8.167 -18.196 -8.557 1.00 0.00 C ATOM 1023 C LYS A 67 7.042 -17.167 -8.580 1.00 0.00 C ATOM 1024 O LYS A 67 6.249 -17.078 -7.642 1.00 0.00 O ATOM 1025 CB LYS A 67 7.739 -19.453 -9.317 1.00 0.00 C ATOM 1026 CG LYS A 67 8.853 -20.473 -9.482 1.00 0.00 C ATOM 1027 CD LYS A 67 9.984 -19.931 -10.339 1.00 0.00 C ATOM 1028 CE LYS A 67 11.065 -19.281 -9.490 1.00 0.00 C ATOM 1029 NZ LYS A 67 11.738 -18.164 -10.208 1.00 0.00 N ATOM 0 H LYS A 67 7.959 -19.263 -6.765 1.00 0.00 H new ATOM 0 HA LYS A 67 9.041 -17.764 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.906 -19.919 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.373 -19.165 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.240 -20.752 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.453 -21.379 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.418 -20.741 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.589 -19.202 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.624 -18.906 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.805 -20.030 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.468 -17.747 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.180 -18.526 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.036 -17.437 -10.454 1.00 0.00 H new ATOM 1043 N ASP A 68 6.976 -16.393 -9.658 1.00 0.00 N ATOM 1044 CA ASP A 68 5.946 -15.371 -9.804 1.00 0.00 C ATOM 1045 C ASP A 68 4.555 -15.997 -9.791 1.00 0.00 C ATOM 1046 O ASP A 68 3.689 -15.629 -8.997 1.00 0.00 O ATOM 1047 CB ASP A 68 6.154 -14.589 -11.102 1.00 0.00 C ATOM 1048 CG ASP A 68 4.850 -14.086 -11.690 1.00 0.00 C ATOM 1049 OD1 ASP A 68 4.001 -13.595 -10.917 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.678 -14.185 -12.923 1.00 0.00 O ATOM 0 H ASP A 68 7.624 -16.454 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 68 6.025 -14.686 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.814 -13.742 -10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.656 -15.226 -11.830 1.00 0.00 H new ATOM 1055 N PRO A 69 4.333 -16.967 -10.690 1.00 0.00 N ATOM 1056 CA PRO A 69 3.048 -17.664 -10.802 1.00 0.00 C ATOM 1057 C PRO A 69 2.777 -18.575 -9.610 1.00 0.00 C ATOM 1058 O PRO A 69 1.789 -19.308 -9.589 1.00 0.00 O ATOM 1059 CB PRO A 69 3.204 -18.491 -12.081 1.00 0.00 C ATOM 1060 CG PRO A 69 4.673 -18.696 -12.224 1.00 0.00 C ATOM 1061 CD PRO A 69 5.319 -17.457 -11.668 1.00 0.00 C ATOM 0 HA PRO A 69 2.208 -16.969 -10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.677 -19.442 -12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.792 -17.967 -12.944 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.998 -19.583 -11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.947 -18.844 -13.269 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.276 -17.680 -11.196 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.512 -16.720 -12.448 1.00 0.00 H new ATOM 1069 N ASP A 70 3.660 -18.522 -8.618 1.00 0.00 N ATOM 1070 CA ASP A 70 3.514 -19.341 -7.420 1.00 0.00 C ATOM 1071 C ASP A 70 3.099 -18.487 -6.226 1.00 0.00 C ATOM 1072 O ASP A 70 3.898 -17.719 -5.691 1.00 0.00 O ATOM 1073 CB ASP A 70 4.823 -20.069 -7.112 1.00 0.00 C ATOM 1074 CG ASP A 70 5.098 -21.201 -8.082 1.00 0.00 C ATOM 1075 OD1 ASP A 70 4.558 -21.162 -9.207 1.00 0.00 O ATOM 1076 OD2 ASP A 70 5.853 -22.126 -7.716 1.00 0.00 O ATOM 0 H ASP A 70 4.484 -17.921 -8.620 1.00 0.00 H new ATOM 0 HA ASP A 70 2.733 -20.078 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.648 -19.357 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.785 -20.465 -6.097 1.00 0.00 H new ATOM 1081 N SER A 71 1.843 -18.627 -5.814 1.00 0.00 N ATOM 1082 CA SER A 71 1.319 -17.866 -4.685 1.00 0.00 C ATOM 1083 C SER A 71 2.057 -18.224 -3.399 1.00 0.00 C ATOM 1084 O SER A 71 2.791 -19.212 -3.345 1.00 0.00 O ATOM 1085 CB SER A 71 -0.179 -18.127 -4.518 1.00 0.00 C ATOM 1086 OG SER A 71 -0.516 -19.441 -4.926 1.00 0.00 O ATOM 0 H SER A 71 1.169 -19.260 -6.245 1.00 0.00 H new ATOM 0 HA SER A 71 1.475 -16.807 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.462 -17.983 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.745 -17.404 -5.105 1.00 0.00 H new ATOM 0 HG SER A 71 -1.478 -19.584 -4.808 1.00 0.00 H new ATOM 1092 N LEU A 72 1.856 -17.415 -2.364 1.00 0.00 N ATOM 1093 CA LEU A 72 2.501 -17.646 -1.077 1.00 0.00 C ATOM 1094 C LEU A 72 2.210 -19.053 -0.566 1.00 0.00 C ATOM 1095 O LEU A 72 3.058 -19.683 0.066 1.00 0.00 O ATOM 1096 CB LEU A 72 2.028 -16.612 -0.054 1.00 0.00 C ATOM 1097 CG LEU A 72 1.681 -15.229 -0.609 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.473 -14.236 0.524 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.772 -14.745 -1.552 1.00 0.00 C ATOM 0 H LEU A 72 1.252 -16.594 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 72 3.577 -17.545 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.149 -17.009 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.806 -16.494 0.700 1.00 0.00 H new ATOM 0 HG LEU A 72 0.750 -15.307 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.227 -13.258 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.656 -14.576 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.386 -14.161 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.509 -13.760 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.718 -14.683 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.872 -15.445 -2.382 1.00 0.00 H new ATOM 1111 N ALA A 73 1.006 -19.542 -0.846 1.00 0.00 N ATOM 1112 CA ALA A 73 0.605 -20.876 -0.418 1.00 0.00 C ATOM 1113 C ALA A 73 1.276 -21.950 -1.268 1.00 0.00 C ATOM 1114 O ALA A 73 1.517 -23.062 -0.801 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.909 -21.018 -0.484 1.00 0.00 C ATOM 0 H ALA A 73 0.292 -19.034 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 73 0.928 -21.012 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.195 -22.019 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.373 -20.280 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.245 -20.857 -1.508 1.00 0.00 H new ATOM 1121 N GLN A 74 1.575 -21.608 -2.517 1.00 0.00 N ATOM 1122 CA GLN A 74 2.217 -22.545 -3.432 1.00 0.00 C ATOM 1123 C GLN A 74 3.700 -22.692 -3.107 1.00 0.00 C ATOM 1124 O GLN A 74 4.298 -23.741 -3.352 1.00 0.00 O ATOM 1125 CB GLN A 74 2.044 -22.078 -4.878 1.00 0.00 C ATOM 1126 CG GLN A 74 0.742 -22.539 -5.514 1.00 0.00 C ATOM 1127 CD GLN A 74 0.740 -22.378 -7.022 1.00 0.00 C ATOM 1128 OE1 GLN A 74 -0.207 -21.845 -7.599 1.00 0.00 O ATOM 1129 NE2 GLN A 74 1.805 -22.839 -7.668 1.00 0.00 N ATOM 0 H GLN A 74 1.383 -20.690 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 74 1.739 -23.517 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.088 -20.989 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.880 -22.447 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.571 -23.586 -5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.086 -21.971 -5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.568 -23.274 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.860 -22.758 -8.683 1.00 0.00 H new ATOM 1138 N CYS A 75 4.287 -21.636 -2.555 1.00 0.00 N ATOM 1139 CA CYS A 75 5.702 -21.648 -2.198 1.00 0.00 C ATOM 1140 C CYS A 75 5.911 -22.288 -0.829 1.00 0.00 C ATOM 1141 O CYS A 75 6.990 -22.799 -0.530 1.00 0.00 O ATOM 1142 CB CYS A 75 6.261 -20.225 -2.199 1.00 0.00 C ATOM 1143 SG CYS A 75 6.260 -19.433 -3.825 1.00 0.00 S ATOM 0 H CYS A 75 3.806 -20.761 -2.345 1.00 0.00 H new ATOM 0 HA CYS A 75 6.235 -22.241 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 75 5.676 -19.616 -1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.282 -20.247 -1.818 1.00 0.00 H new ATOM 0 HG CYS A 75 5.087 -18.922 -4.058 1.00 0.00 H new ATOM 1149 N GLY A 76 4.872 -22.256 -0.001 1.00 0.00 N ATOM 1150 CA GLY A 76 4.963 -22.835 1.327 1.00 0.00 C ATOM 1151 C GLY A 76 4.881 -21.790 2.422 1.00 0.00 C ATOM 1152 O GLY A 76 5.135 -22.082 3.590 1.00 0.00 O ATOM 0 H GLY A 76 3.968 -21.839 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.160 -23.560 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.902 -23.380 1.419 1.00 0.00 H new ATOM 1156 N VAL A 77 4.526 -20.566 2.044 1.00 0.00 N ATOM 1157 CA VAL A 77 4.411 -19.473 3.002 1.00 0.00 C ATOM 1158 C VAL A 77 3.107 -19.564 3.787 1.00 0.00 C ATOM 1159 O VAL A 77 2.063 -19.912 3.236 1.00 0.00 O ATOM 1160 CB VAL A 77 4.481 -18.103 2.302 1.00 0.00 C ATOM 1161 CG1 VAL A 77 4.214 -16.981 3.295 1.00 0.00 C ATOM 1162 CG2 VAL A 77 5.832 -17.918 1.627 1.00 0.00 C ATOM 0 H VAL A 77 4.313 -20.307 1.081 1.00 0.00 H new ATOM 0 HA VAL A 77 5.252 -19.565 3.689 1.00 0.00 H new ATOM 0 HB VAL A 77 3.709 -18.067 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.268 -16.021 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.221 -17.106 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.962 -17.011 4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.864 -16.945 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.623 -17.974 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.978 -18.703 0.885 1.00 0.00 H new ATOM 1172 N ARG A 78 3.175 -19.249 5.076 1.00 0.00 N ATOM 1173 CA ARG A 78 2.000 -19.297 5.938 1.00 0.00 C ATOM 1174 C ARG A 78 1.955 -18.084 6.863 1.00 0.00 C ATOM 1175 O ARG A 78 2.785 -17.181 6.761 1.00 0.00 O ATOM 1176 CB ARG A 78 1.999 -20.584 6.765 1.00 0.00 C ATOM 1177 CG ARG A 78 2.466 -21.806 5.991 1.00 0.00 C ATOM 1178 CD ARG A 78 1.376 -22.331 5.070 1.00 0.00 C ATOM 1179 NE ARG A 78 1.477 -23.775 4.872 1.00 0.00 N ATOM 1180 CZ ARG A 78 0.480 -24.525 4.415 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -0.686 -23.971 4.111 1.00 0.00 N ATOM 1182 NH2 ARG A 78 0.648 -25.832 4.261 1.00 0.00 N ATOM 0 H ARG A 78 4.032 -18.958 5.547 1.00 0.00 H new ATOM 0 HA ARG A 78 1.114 -19.282 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.642 -20.448 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.991 -20.765 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.348 -21.551 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.763 -22.589 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.399 -22.090 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.442 -21.827 4.106 1.00 0.00 H new ATOM 0 HE ARG A 78 2.361 -24.232 5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.819 -22.967 4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.449 -24.549 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.543 -26.262 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.118 -26.407 3.910 1.00 0.00 H new ATOM 1196 N ASP A 79 0.980 -18.071 7.765 1.00 0.00 N ATOM 1197 CA ASP A 79 0.827 -16.971 8.710 1.00 0.00 C ATOM 1198 C ASP A 79 1.856 -17.069 9.831 1.00 0.00 C ATOM 1199 O ASP A 79 1.710 -17.870 10.753 1.00 0.00 O ATOM 1200 CB ASP A 79 -0.586 -16.967 9.296 1.00 0.00 C ATOM 1201 CG ASP A 79 -0.827 -15.788 10.218 1.00 0.00 C ATOM 1202 OD1 ASP A 79 -0.662 -14.636 9.764 1.00 0.00 O ATOM 1203 OD2 ASP A 79 -1.181 -16.017 11.393 1.00 0.00 O ATOM 0 H ASP A 79 0.284 -18.810 7.862 1.00 0.00 H new ATOM 0 HA ASP A 79 0.992 -16.037 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.313 -16.944 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.751 -17.894 9.845 1.00 0.00 H new ATOM 1208 N GLY A 80 2.899 -16.249 9.743 1.00 0.00 N ATOM 1209 CA GLY A 80 3.939 -16.261 10.756 1.00 0.00 C ATOM 1210 C GLY A 80 5.252 -16.807 10.233 1.00 0.00 C ATOM 1211 O GLY A 80 6.190 -17.032 11.000 1.00 0.00 O ATOM 0 H GLY A 80 3.042 -15.577 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.093 -15.247 11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.610 -16.864 11.603 1.00 0.00 H new ATOM 1215 N LEU A 81 5.322 -17.022 8.924 1.00 0.00 N ATOM 1216 CA LEU A 81 6.531 -17.547 8.298 1.00 0.00 C ATOM 1217 C LEU A 81 7.487 -16.418 7.928 1.00 0.00 C ATOM 1218 O LEU A 81 7.118 -15.243 7.953 1.00 0.00 O ATOM 1219 CB LEU A 81 6.172 -18.356 7.050 1.00 0.00 C ATOM 1220 CG LEU A 81 5.427 -19.669 7.293 1.00 0.00 C ATOM 1221 CD1 LEU A 81 5.769 -20.684 6.213 1.00 0.00 C ATOM 1222 CD2 LEU A 81 5.756 -20.223 8.671 1.00 0.00 C ATOM 0 H LEU A 81 4.556 -16.841 8.275 1.00 0.00 H new ATOM 0 HA LEU A 81 7.029 -18.199 9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.562 -17.730 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.091 -18.578 6.508 1.00 0.00 H new ATOM 0 HG LEU A 81 4.356 -19.470 7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.230 -21.612 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.481 -20.289 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.841 -20.879 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.217 -21.157 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.828 -20.407 8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.459 -19.502 9.433 1.00 0.00 H new ATOM 1234 N THR A 82 8.718 -16.782 7.583 1.00 0.00 N ATOM 1235 CA THR A 82 9.728 -15.800 7.207 1.00 0.00 C ATOM 1236 C THR A 82 10.286 -16.090 5.818 1.00 0.00 C ATOM 1237 O THR A 82 10.203 -17.216 5.327 1.00 0.00 O ATOM 1238 CB THR A 82 10.889 -15.772 8.218 1.00 0.00 C ATOM 1239 OG1 THR A 82 10.376 -15.653 9.550 1.00 0.00 O ATOM 1240 CG2 THR A 82 11.833 -14.615 7.927 1.00 0.00 C ATOM 0 H THR A 82 9.040 -17.750 7.556 1.00 0.00 H new ATOM 0 HA THR A 82 9.236 -14.827 7.203 1.00 0.00 H new ATOM 0 HB THR A 82 11.445 -16.705 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.120 -15.638 10.187 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.645 -14.616 8.654 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.244 -14.725 6.924 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.287 -13.674 7.994 1.00 0.00 H new ATOM 1248 N VAL A 83 10.855 -15.067 5.189 1.00 0.00 N ATOM 1249 CA VAL A 83 11.429 -15.212 3.856 1.00 0.00 C ATOM 1250 C VAL A 83 12.647 -14.312 3.681 1.00 0.00 C ATOM 1251 O VAL A 83 12.527 -13.086 3.647 1.00 0.00 O ATOM 1252 CB VAL A 83 10.397 -14.881 2.762 1.00 0.00 C ATOM 1253 CG1 VAL A 83 10.938 -15.249 1.388 1.00 0.00 C ATOM 1254 CG2 VAL A 83 9.083 -15.596 3.035 1.00 0.00 C ATOM 0 H VAL A 83 10.931 -14.128 5.581 1.00 0.00 H new ATOM 0 HA VAL A 83 11.734 -16.254 3.754 1.00 0.00 H new ATOM 0 HB VAL A 83 10.210 -13.807 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.195 -15.008 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.851 -14.687 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.156 -16.317 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.366 -15.350 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.251 -16.673 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.689 -15.278 4.000 1.00 0.00 H new ATOM 1264 N HIS A 84 13.820 -14.927 3.569 1.00 0.00 N ATOM 1265 CA HIS A 84 15.061 -14.181 3.396 1.00 0.00 C ATOM 1266 C HIS A 84 15.102 -13.505 2.028 1.00 0.00 C ATOM 1267 O HIS A 84 15.339 -14.156 1.009 1.00 0.00 O ATOM 1268 CB HIS A 84 16.265 -15.109 3.555 1.00 0.00 C ATOM 1269 CG HIS A 84 16.366 -15.731 4.914 1.00 0.00 C ATOM 1270 ND1 HIS A 84 15.708 -16.781 5.458 1.00 0.00 N flip ATOM 1271 CD2 HIS A 84 17.225 -15.271 5.890 1.00 0.00 C flip ATOM 1272 CE1 HIS A 84 16.178 -16.936 6.739 1.00 0.00 C flip ATOM 1273 NE2 HIS A 84 17.093 -16.013 6.975 1.00 0.00 N flip ATOM 0 H HIS A 84 13.937 -15.940 3.595 1.00 0.00 H new ATOM 0 HA HIS A 84 15.103 -13.409 4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.206 -15.899 2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.176 -14.546 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.900 -14.435 5.784 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.852 -17.690 7.440 1.00 0.00 H new ATOM 0 HE2 HIS A 84 17.610 -15.894 7.846 1.00 0.00 H new ATOM 1282 N LEU A 85 14.870 -12.197 2.013 1.00 0.00 N ATOM 1283 CA LEU A 85 14.880 -11.433 0.770 1.00 0.00 C ATOM 1284 C LEU A 85 16.295 -10.987 0.417 1.00 0.00 C ATOM 1285 O LEU A 85 17.108 -10.710 1.298 1.00 0.00 O ATOM 1286 CB LEU A 85 13.963 -10.215 0.890 1.00 0.00 C ATOM 1287 CG LEU A 85 14.157 -9.123 -0.163 1.00 0.00 C ATOM 1288 CD1 LEU A 85 13.319 -9.417 -1.397 1.00 0.00 C ATOM 1289 CD2 LEU A 85 13.802 -7.759 0.412 1.00 0.00 C ATOM 0 H LEU A 85 14.673 -11.644 2.847 1.00 0.00 H new ATOM 0 HA LEU A 85 14.513 -12.078 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.929 -10.557 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.108 -9.772 1.875 1.00 0.00 H new ATOM 0 HG LEU A 85 15.207 -9.110 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.470 -8.629 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.620 -10.375 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.266 -9.458 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.946 -6.994 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.760 -7.760 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.445 -7.545 1.266 1.00 0.00 H new ATOM 1301 N VAL A 86 16.582 -10.916 -0.880 1.00 0.00 N ATOM 1302 CA VAL A 86 17.897 -10.500 -1.350 1.00 0.00 C ATOM 1303 C VAL A 86 17.781 -9.536 -2.525 1.00 0.00 C ATOM 1304 O VAL A 86 17.419 -9.933 -3.633 1.00 0.00 O ATOM 1305 CB VAL A 86 18.750 -11.710 -1.776 1.00 0.00 C ATOM 1306 CG1 VAL A 86 20.085 -11.250 -2.341 1.00 0.00 C ATOM 1307 CG2 VAL A 86 18.956 -12.655 -0.602 1.00 0.00 C ATOM 0 H VAL A 86 15.921 -11.141 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 86 18.386 -9.996 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 86 18.218 -12.250 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 86 20.674 -12.118 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.913 -10.615 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.627 -10.686 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 86 19.561 -13.504 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 86 19.466 -12.128 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 86 17.989 -13.011 -0.247 1.00 0.00 H new ATOM 1317 N ILE A 87 18.089 -8.268 -2.276 1.00 0.00 N ATOM 1318 CA ILE A 87 18.021 -7.247 -3.314 1.00 0.00 C ATOM 1319 C ILE A 87 19.266 -7.273 -4.194 1.00 0.00 C ATOM 1320 O ILE A 87 20.387 -7.126 -3.708 1.00 0.00 O ATOM 1321 CB ILE A 87 17.863 -5.839 -2.710 1.00 0.00 C ATOM 1322 CG1 ILE A 87 16.770 -5.839 -1.639 1.00 0.00 C ATOM 1323 CG2 ILE A 87 17.543 -4.827 -3.800 1.00 0.00 C ATOM 1324 CD1 ILE A 87 17.256 -6.289 -0.279 1.00 0.00 C ATOM 0 H ILE A 87 18.388 -7.923 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 87 17.145 -7.474 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 87 18.805 -5.554 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 87 16.356 -4.834 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 87 15.958 -6.492 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 87 17.434 -3.837 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 87 18.352 -4.811 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.613 -5.107 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 87 16.428 -6.264 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 87 17.643 -7.306 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 87 18.047 -5.622 0.064 1.00 0.00 H new ATOM 1336 N LYS A 88 19.061 -7.460 -5.494 1.00 0.00 N ATOM 1337 CA LYS A 88 20.166 -7.503 -6.444 1.00 0.00 C ATOM 1338 C LYS A 88 20.679 -6.098 -6.746 1.00 0.00 C ATOM 1339 O LYS A 88 21.865 -5.904 -7.011 1.00 0.00 O ATOM 1340 CB LYS A 88 19.724 -8.185 -7.741 1.00 0.00 C ATOM 1341 CG LYS A 88 19.248 -9.614 -7.545 1.00 0.00 C ATOM 1342 CD LYS A 88 20.390 -10.606 -7.689 1.00 0.00 C ATOM 1343 CE LYS A 88 21.039 -10.908 -6.347 1.00 0.00 C ATOM 1344 NZ LYS A 88 22.487 -11.227 -6.490 1.00 0.00 N ATOM 0 H LYS A 88 18.139 -7.584 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 88 20.976 -8.078 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 88 18.921 -7.602 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 88 20.556 -8.181 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.798 -9.716 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.471 -9.843 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 88 20.017 -11.530 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 88 21.137 -10.205 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 88 20.920 -10.050 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 88 20.527 -11.747 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.893 -11.427 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 22.600 -12.061 -7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.981 -10.416 -6.915 1.00 0.00 H new ATOM 1358 N ARG A 89 19.778 -5.122 -6.702 1.00 0.00 N ATOM 1359 CA ARG A 89 20.140 -3.736 -6.970 1.00 0.00 C ATOM 1360 C ARG A 89 20.818 -3.604 -8.331 1.00 0.00 C ATOM 1361 O ARG A 89 21.877 -2.989 -8.450 1.00 0.00 O ATOM 1362 CB ARG A 89 21.067 -3.207 -5.874 1.00 0.00 C ATOM 1363 CG ARG A 89 20.397 -3.089 -4.514 1.00 0.00 C ATOM 1364 CD ARG A 89 21.221 -2.239 -3.560 1.00 0.00 C ATOM 1365 NE ARG A 89 22.408 -2.944 -3.084 1.00 0.00 N ATOM 1366 CZ ARG A 89 23.225 -2.464 -2.153 1.00 0.00 C ATOM 1367 NH1 ARG A 89 22.984 -1.283 -1.601 1.00 0.00 N ATOM 1368 NH2 ARG A 89 24.285 -3.165 -1.773 1.00 0.00 N ATOM 0 H ARG A 89 18.792 -5.266 -6.483 1.00 0.00 H new ATOM 0 HA ARG A 89 19.225 -3.144 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 89 21.929 -3.868 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 89 21.444 -2.228 -6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.407 -2.650 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.256 -4.083 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 89 21.523 -1.320 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 89 20.605 -1.950 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 89 22.622 -3.856 -3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 89 22.170 -0.741 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 89 23.613 -0.916 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 89 24.474 -4.074 -2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 89 24.911 -2.795 -1.058 1.00 0.00 H new ATOM 1382 N GLN A 90 20.199 -4.187 -9.353 1.00 0.00 N ATOM 1383 CA GLN A 90 20.744 -4.136 -10.704 1.00 0.00 C ATOM 1384 C GLN A 90 19.666 -3.748 -11.711 1.00 0.00 C ATOM 1385 O GLN A 90 19.646 -4.246 -12.838 1.00 0.00 O ATOM 1386 CB GLN A 90 21.351 -5.487 -11.084 1.00 0.00 C ATOM 1387 CG GLN A 90 22.800 -5.646 -10.654 1.00 0.00 C ATOM 1388 CD GLN A 90 23.757 -4.857 -11.526 1.00 0.00 C ATOM 1389 OE1 GLN A 90 23.475 -4.592 -12.694 1.00 0.00 O ATOM 1390 NE2 GLN A 90 24.897 -4.477 -10.960 1.00 0.00 N ATOM 0 H GLN A 90 19.321 -4.699 -9.271 1.00 0.00 H new ATOM 0 HA GLN A 90 21.526 -3.377 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 90 20.758 -6.282 -10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 90 21.285 -5.614 -12.165 1.00 0.00 H new ATOM 0 HG2 GLN A 90 22.906 -5.321 -9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 90 23.071 -6.701 -10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 90 25.089 -4.719 -9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 90 25.580 -3.943 -11.497 1.00 0.00 H new ATOM 1399 N HIS A 91 18.769 -2.858 -11.298 1.00 0.00 N ATOM 1400 CA HIS A 91 17.687 -2.404 -12.165 1.00 0.00 C ATOM 1401 C HIS A 91 17.819 -0.913 -12.462 1.00 0.00 C ATOM 1402 O HIS A 91 17.611 -0.074 -11.585 1.00 0.00 O ATOM 1403 CB HIS A 91 16.333 -2.688 -11.516 1.00 0.00 C ATOM 1404 CG HIS A 91 15.176 -2.544 -12.457 1.00 0.00 C ATOM 1405 ND1 HIS A 91 14.730 -3.569 -13.264 1.00 0.00 N ATOM 1406 CD2 HIS A 91 14.372 -1.486 -12.715 1.00 0.00 C ATOM 1407 CE1 HIS A 91 13.702 -3.147 -13.979 1.00 0.00 C ATOM 1408 NE2 HIS A 91 13.464 -1.887 -13.665 1.00 0.00 N ATOM 0 H HIS A 91 18.770 -2.437 -10.369 1.00 0.00 H new ATOM 0 HA HIS A 91 17.753 -2.951 -13.105 1.00 0.00 H new ATOM 0 HB2 HIS A 91 16.338 -3.700 -11.112 1.00 0.00 H new ATOM 0 HB3 HIS A 91 16.193 -2.009 -10.675 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.433 -0.509 -12.259 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.150 -3.734 -14.698 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.726 -1.306 -14.063 1.00 0.00 H new ATOM 1417 N ARG A 92 18.166 -0.590 -13.704 1.00 0.00 N ATOM 1418 CA ARG A 92 18.327 0.799 -14.116 1.00 0.00 C ATOM 1419 C ARG A 92 17.324 1.162 -15.206 1.00 0.00 C ATOM 1420 O ARG A 92 17.675 1.799 -16.199 1.00 0.00 O ATOM 1421 CB ARG A 92 19.752 1.042 -14.617 1.00 0.00 C ATOM 1422 CG ARG A 92 20.178 2.500 -14.558 1.00 0.00 C ATOM 1423 CD ARG A 92 20.358 2.970 -13.123 1.00 0.00 C ATOM 1424 NE ARG A 92 21.007 4.277 -13.052 1.00 0.00 N ATOM 1425 CZ ARG A 92 21.121 4.981 -11.932 1.00 0.00 C ATOM 1426 NH1 ARG A 92 20.632 4.507 -10.794 1.00 0.00 N ATOM 1427 NH2 ARG A 92 21.726 6.162 -11.948 1.00 0.00 N ATOM 0 H ARG A 92 18.341 -1.272 -14.442 1.00 0.00 H new ATOM 0 HA ARG A 92 18.141 1.433 -13.249 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.444 0.446 -14.022 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.831 0.690 -15.646 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.112 2.630 -15.104 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.430 3.119 -15.054 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.385 3.021 -12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.953 2.240 -12.574 1.00 0.00 H new ATOM 0 HE ARG A 92 21.394 4.670 -13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.167 3.599 -10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.721 5.050 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.104 6.530 -12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.813 6.702 -11.087 1.00 0.00 H new ATOM 1441 N ALA A 93 16.075 0.752 -15.014 1.00 0.00 N ATOM 1442 CA ALA A 93 15.021 1.036 -15.980 1.00 0.00 C ATOM 1443 C ALA A 93 13.718 1.406 -15.279 1.00 0.00 C ATOM 1444 O ALA A 93 13.497 1.038 -14.126 1.00 0.00 O ATOM 1445 CB ALA A 93 14.808 -0.161 -16.896 1.00 0.00 C ATOM 0 H ALA A 93 15.768 0.222 -14.198 1.00 0.00 H new ATOM 0 HA ALA A 93 15.334 1.889 -16.581 1.00 0.00 H new ATOM 0 HB1 ALA A 93 14.018 0.065 -17.612 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.732 -0.378 -17.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.521 -1.028 -16.301 1.00 0.00 H new ATOM 1451 N MET A 94 12.860 2.137 -15.982 1.00 0.00 N ATOM 1452 CA MET A 94 11.579 2.557 -15.426 1.00 0.00 C ATOM 1453 C MET A 94 10.440 2.253 -16.394 1.00 0.00 C ATOM 1454 O MET A 94 10.635 2.227 -17.609 1.00 0.00 O ATOM 1455 CB MET A 94 11.604 4.052 -15.103 1.00 0.00 C ATOM 1456 CG MET A 94 12.210 4.371 -13.746 1.00 0.00 C ATOM 1457 SD MET A 94 11.080 4.029 -12.383 1.00 0.00 S ATOM 1458 CE MET A 94 9.966 5.426 -12.508 1.00 0.00 C ATOM 0 H MET A 94 13.028 2.451 -16.938 1.00 0.00 H new ATOM 0 HA MET A 94 11.410 1.997 -14.506 1.00 0.00 H new ATOM 0 HB2 MET A 94 12.170 4.573 -15.876 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.586 4.440 -15.137 1.00 0.00 H new ATOM 0 HG2 MET A 94 13.121 3.787 -13.613 1.00 0.00 H new ATOM 0 HG3 MET A 94 12.498 5.422 -13.719 1.00 0.00 H new ATOM 0 HE1 MET A 94 9.356 5.487 -11.606 1.00 0.00 H new ATOM 0 HE2 MET A 94 10.544 6.344 -12.618 1.00 0.00 H new ATOM 0 HE3 MET A 94 9.319 5.299 -13.376 1.00 0.00 H new ATOM 1468 N GLY A 95 9.250 2.023 -15.848 1.00 0.00 N ATOM 1469 CA GLY A 95 8.098 1.724 -16.678 1.00 0.00 C ATOM 1470 C GLY A 95 7.163 0.720 -16.032 1.00 0.00 C ATOM 1471 O GLY A 95 7.587 -0.097 -15.217 1.00 0.00 O ATOM 0 H GLY A 95 9.063 2.038 -14.845 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.552 2.645 -16.882 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.437 1.335 -17.638 1.00 0.00 H new ATOM 1475 N ASN A 96 5.886 0.784 -16.397 1.00 0.00 N ATOM 1476 CA ASN A 96 4.888 -0.125 -15.845 1.00 0.00 C ATOM 1477 C ASN A 96 4.711 -1.347 -16.741 1.00 0.00 C ATOM 1478 O ASN A 96 3.910 -1.334 -17.675 1.00 0.00 O ATOM 1479 CB ASN A 96 3.549 0.596 -15.678 1.00 0.00 C ATOM 1480 CG ASN A 96 3.488 1.413 -14.401 1.00 0.00 C ATOM 1481 OD1 ASN A 96 4.389 2.200 -14.111 1.00 0.00 O ATOM 1482 ND2 ASN A 96 2.421 1.229 -13.632 1.00 0.00 N ATOM 0 H ASN A 96 5.519 1.455 -17.072 1.00 0.00 H new ATOM 0 HA ASN A 96 5.238 -0.460 -14.868 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.383 1.251 -16.533 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.742 -0.137 -15.676 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.324 1.751 -12.761 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.699 0.566 -13.912 1.00 0.00 H new ATOM 1489 N GLU A 97 5.465 -2.403 -16.448 1.00 0.00 N ATOM 1490 CA GLU A 97 5.391 -3.633 -17.227 1.00 0.00 C ATOM 1491 C GLU A 97 4.012 -4.274 -17.103 1.00 0.00 C ATOM 1492 O GLU A 97 3.419 -4.693 -18.098 1.00 0.00 O ATOM 1493 CB GLU A 97 6.467 -4.619 -16.767 1.00 0.00 C ATOM 1494 CG GLU A 97 7.884 -4.152 -17.054 1.00 0.00 C ATOM 1495 CD GLU A 97 8.896 -4.731 -16.085 1.00 0.00 C ATOM 1496 OE1 GLU A 97 9.408 -5.838 -16.353 1.00 0.00 O ATOM 1497 OE2 GLU A 97 9.177 -4.077 -15.059 1.00 0.00 O ATOM 0 H GLU A 97 6.133 -2.431 -15.678 1.00 0.00 H new ATOM 0 HA GLU A 97 5.562 -3.381 -18.274 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.359 -4.787 -15.696 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.303 -5.578 -17.259 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.157 -4.435 -18.071 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.921 -3.064 -17.005 1.00 0.00 H new ATOM 1504 N CYS A 98 3.507 -4.346 -15.877 1.00 0.00 N ATOM 1505 CA CYS A 98 2.198 -4.936 -15.622 1.00 0.00 C ATOM 1506 C CYS A 98 1.100 -4.149 -16.329 1.00 0.00 C ATOM 1507 O CYS A 98 0.927 -2.949 -16.117 1.00 0.00 O ATOM 1508 CB CYS A 98 1.921 -4.983 -14.118 1.00 0.00 C ATOM 1509 SG CYS A 98 3.013 -6.095 -13.201 1.00 0.00 S ATOM 0 H CYS A 98 3.984 -4.003 -15.043 1.00 0.00 H new ATOM 0 HA CYS A 98 2.202 -5.953 -16.015 1.00 0.00 H new ATOM 0 HB2 CYS A 98 2.019 -3.977 -13.710 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.888 -5.293 -13.959 1.00 0.00 H new ATOM 0 HG CYS A 98 2.703 -6.065 -11.939 1.00 0.00 H new ATOM 1515 N PRO A 99 0.339 -4.840 -17.192 1.00 0.00 N ATOM 1516 CA PRO A 99 -0.755 -4.225 -17.949 1.00 0.00 C ATOM 1517 C PRO A 99 -1.935 -3.847 -17.060 1.00 0.00 C ATOM 1518 O PRO A 99 -1.875 -3.991 -15.839 1.00 0.00 O ATOM 1519 CB PRO A 99 -1.161 -5.321 -18.938 1.00 0.00 C ATOM 1520 CG PRO A 99 -0.751 -6.594 -18.282 1.00 0.00 C ATOM 1521 CD PRO A 99 0.489 -6.273 -17.494 1.00 0.00 C ATOM 0 HA PRO A 99 -0.448 -3.294 -18.425 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.234 -5.303 -19.131 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.662 -5.192 -19.899 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -1.541 -6.970 -17.631 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -0.553 -7.369 -19.023 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.553 -6.871 -16.585 1.00 0.00 H new ATOM 0 HD3 PRO A 99 1.393 -6.470 -18.070 1.00 0.00 H new ATOM 1529 N ALA A 100 -3.006 -3.364 -17.680 1.00 0.00 N ATOM 1530 CA ALA A 100 -4.201 -2.968 -16.945 1.00 0.00 C ATOM 1531 C ALA A 100 -5.462 -3.253 -17.752 1.00 0.00 C ATOM 1532 O ALA A 100 -5.400 -3.477 -18.961 1.00 0.00 O ATOM 1533 CB ALA A 100 -4.129 -1.493 -16.577 1.00 0.00 C ATOM 0 H ALA A 100 -3.071 -3.237 -18.690 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.247 -3.558 -16.030 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.028 -1.211 -16.029 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.253 -1.316 -15.954 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.055 -0.895 -17.485 1.00 0.00 H new ATOM 1539 N SER A 101 -6.607 -3.244 -17.076 1.00 0.00 N ATOM 1540 CA SER A 101 -7.883 -3.507 -17.730 1.00 0.00 C ATOM 1541 C SER A 101 -8.755 -2.255 -17.742 1.00 0.00 C ATOM 1542 O SER A 101 -9.148 -1.769 -18.802 1.00 0.00 O ATOM 1543 CB SER A 101 -8.618 -4.647 -17.022 1.00 0.00 C ATOM 1544 OG SER A 101 -7.949 -5.881 -17.214 1.00 0.00 O ATOM 0 H SER A 101 -6.677 -3.057 -16.076 1.00 0.00 H new ATOM 0 HA SER A 101 -7.682 -3.799 -18.761 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.690 -4.431 -15.956 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.637 -4.719 -17.403 1.00 0.00 H new ATOM 0 HG SER A 101 -8.437 -6.593 -16.751 1.00 0.00 H new ATOM 1550 N GLY A 102 -9.054 -1.738 -16.554 1.00 0.00 N ATOM 1551 CA GLY A 102 -9.877 -0.547 -16.449 1.00 0.00 C ATOM 1552 C GLY A 102 -10.444 -0.355 -15.057 1.00 0.00 C ATOM 1553 O GLY A 102 -10.173 -1.132 -14.141 1.00 0.00 O ATOM 0 H GLY A 102 -8.741 -2.123 -15.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.283 0.326 -16.720 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.696 -0.610 -17.166 1.00 0.00 H new ATOM 1557 N PRO A 103 -11.249 0.703 -14.882 1.00 0.00 N ATOM 1558 CA PRO A 103 -11.871 1.020 -13.593 1.00 0.00 C ATOM 1559 C PRO A 103 -12.948 0.013 -13.206 1.00 0.00 C ATOM 1560 O PRO A 103 -12.976 -0.478 -12.077 1.00 0.00 O ATOM 1561 CB PRO A 103 -12.490 2.401 -13.828 1.00 0.00 C ATOM 1562 CG PRO A 103 -12.724 2.466 -15.297 1.00 0.00 C ATOM 1563 CD PRO A 103 -11.615 1.671 -15.929 1.00 0.00 C ATOM 0 HA PRO A 103 -11.151 0.994 -12.775 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -13.421 2.517 -13.273 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -11.821 3.196 -13.498 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -13.698 2.051 -15.556 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -12.714 3.498 -15.648 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -11.947 1.172 -16.839 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.772 2.305 -16.203 1.00 0.00 H new ATOM 1571 N SER A 104 -13.834 -0.291 -14.149 1.00 0.00 N ATOM 1572 CA SER A 104 -14.916 -1.238 -13.904 1.00 0.00 C ATOM 1573 C SER A 104 -15.693 -1.518 -15.187 1.00 0.00 C ATOM 1574 O SER A 104 -15.404 -0.946 -16.238 1.00 0.00 O ATOM 1575 CB SER A 104 -15.861 -0.699 -12.829 1.00 0.00 C ATOM 1576 OG SER A 104 -16.671 0.346 -13.340 1.00 0.00 O ATOM 0 H SER A 104 -13.824 0.104 -15.089 1.00 0.00 H new ATOM 0 HA SER A 104 -14.476 -2.172 -13.555 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.493 -1.506 -12.459 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.282 -0.333 -11.981 1.00 0.00 H new ATOM 0 HG SER A 104 -17.267 0.673 -12.634 1.00 0.00 H new ATOM 1582 N SER A 105 -16.681 -2.402 -15.092 1.00 0.00 N ATOM 1583 CA SER A 105 -17.499 -2.761 -16.245 1.00 0.00 C ATOM 1584 C SER A 105 -18.275 -1.553 -16.759 1.00 0.00 C ATOM 1585 O SER A 105 -18.850 -0.793 -15.980 1.00 0.00 O ATOM 1586 CB SER A 105 -18.468 -3.886 -15.878 1.00 0.00 C ATOM 1587 OG SER A 105 -17.809 -5.141 -15.856 1.00 0.00 O ATOM 0 H SER A 105 -16.935 -2.883 -14.229 1.00 0.00 H new ATOM 0 HA SER A 105 -16.835 -3.107 -17.037 1.00 0.00 H new ATOM 0 HB2 SER A 105 -18.909 -3.686 -14.901 1.00 0.00 H new ATOM 0 HB3 SER A 105 -19.286 -3.914 -16.597 1.00 0.00 H new ATOM 0 HG SER A 105 -18.450 -5.843 -15.617 1.00 0.00 H new ATOM 1593 N GLY A 106 -18.287 -1.382 -18.077 1.00 0.00 N ATOM 1594 CA GLY A 106 -18.995 -0.264 -18.674 1.00 0.00 C ATOM 1595 C GLY A 106 -20.242 -0.699 -19.417 1.00 0.00 C ATOM 1596 O GLY A 106 -21.281 -0.951 -18.806 1.00 0.00 O ATOM 0 H GLY A 106 -17.819 -1.997 -18.742 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -19.269 0.447 -17.894 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.330 0.258 -19.361 1.00 0.00 H new TER 1600 GLY A 106