USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 687 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 77 CYS SG : rot 55:sc= 0.376 USER MOD Set 1.2: A 83 THR OG1 : rot -126:sc= 0.371 USER MOD Set 2.1: A 30 SER OG : rot -66:sc= 1.3 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.596 USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0673 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0226 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=-0.00307 USER MOD Single : A 8 GLN : amide:sc= 0.222 K(o=0.22,f=-2.2!) USER MOD Single : A 12 MET CE :methyl 176:sc= -0.882 (180deg=-0.957) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= 2.28 (180deg=-0.53) USER MOD Single : A 21 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.588 K(o=-0.59,f=-3) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00291) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 CYS SG : rot 63:sc= -0.528 USER MOD Single : A 49 CYS SG : rot 150:sc= -0.0288 USER MOD Single : A 58 ASN : amide:sc=-0.00379 X(o=-0.0038,f=-0.079) USER MOD Single : A 59 GLN : amide:sc=-0.000292 K(o=-0.00029,f=-0.89) USER MOD Single : A 60 GLN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00847 USER MOD Single : A 67 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.07) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -53:sc= 1.29 USER MOD Single : A 88 HIS : no HE2:sc= -0.163 K(o=-0.16,f=-1.8) USER MOD Single : A 91 SER OG : rot 180:sc= 0.138 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.422 9.996 -30.757 1.00 0.00 N ATOM 2 CA GLY A 1 -12.800 9.946 -29.430 1.00 0.00 C ATOM 3 C GLY A 1 -13.877 9.706 -28.396 1.00 0.00 C ATOM 4 O GLY A 1 -14.973 10.244 -28.549 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.011 10.780 -31.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.250 9.099 -31.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.446 10.145 -30.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.056 9.150 -29.392 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.279 10.880 -29.222 1.00 0.00 H new ATOM 8 N SER A 2 -13.595 8.896 -27.372 1.00 0.00 N ATOM 9 CA SER A 2 -14.409 8.832 -26.163 1.00 0.00 C ATOM 10 C SER A 2 -13.478 8.571 -24.972 1.00 0.00 C ATOM 11 O SER A 2 -13.338 7.439 -24.492 1.00 0.00 O ATOM 12 CB SER A 2 -15.537 7.802 -26.317 1.00 0.00 C ATOM 13 OG SER A 2 -16.268 8.012 -27.513 1.00 0.00 O ATOM 0 H SER A 2 -12.793 8.266 -27.362 1.00 0.00 H new ATOM 0 HA SER A 2 -14.919 9.778 -25.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.116 6.796 -26.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.210 7.866 -25.462 1.00 0.00 H new ATOM 0 HG SER A 2 -16.978 7.341 -27.584 1.00 0.00 H new ATOM 19 N SER A 3 -12.783 9.629 -24.551 1.00 0.00 N ATOM 20 CA SER A 3 -11.708 9.657 -23.564 1.00 0.00 C ATOM 21 C SER A 3 -10.499 8.791 -23.948 1.00 0.00 C ATOM 22 O SER A 3 -10.528 8.003 -24.902 1.00 0.00 O ATOM 23 CB SER A 3 -12.274 9.355 -22.166 1.00 0.00 C ATOM 24 OG SER A 3 -13.067 10.449 -21.746 1.00 0.00 O ATOM 0 H SER A 3 -12.974 10.560 -24.922 1.00 0.00 H new ATOM 0 HA SER A 3 -11.297 10.666 -23.542 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.872 8.444 -22.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.462 9.185 -21.459 1.00 0.00 H new ATOM 0 HG SER A 3 -13.434 10.265 -20.856 1.00 0.00 H new ATOM 30 N GLY A 4 -9.400 8.959 -23.214 1.00 0.00 N ATOM 31 CA GLY A 4 -8.129 8.299 -23.448 1.00 0.00 C ATOM 32 C GLY A 4 -7.155 8.621 -22.320 1.00 0.00 C ATOM 33 O GLY A 4 -7.578 9.056 -21.246 1.00 0.00 O ATOM 0 H GLY A 4 -9.376 9.585 -22.409 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.277 7.221 -23.514 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.713 8.623 -24.402 1.00 0.00 H new ATOM 37 N SER A 5 -5.869 8.392 -22.586 1.00 0.00 N ATOM 38 CA SER A 5 -4.719 8.662 -21.735 1.00 0.00 C ATOM 39 C SER A 5 -4.590 7.655 -20.590 1.00 0.00 C ATOM 40 O SER A 5 -5.515 7.445 -19.800 1.00 0.00 O ATOM 41 CB SER A 5 -4.712 10.120 -21.256 1.00 0.00 C ATOM 42 OG SER A 5 -3.451 10.539 -20.757 1.00 0.00 O ATOM 0 H SER A 5 -5.586 7.980 -23.475 1.00 0.00 H new ATOM 0 HA SER A 5 -3.824 8.526 -22.342 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.002 10.769 -22.083 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.463 10.243 -20.476 1.00 0.00 H new ATOM 0 HG SER A 5 -3.507 11.474 -20.469 1.00 0.00 H new ATOM 48 N SER A 6 -3.415 7.034 -20.519 1.00 0.00 N ATOM 49 CA SER A 6 -2.969 6.146 -19.463 1.00 0.00 C ATOM 50 C SER A 6 -2.262 6.976 -18.385 1.00 0.00 C ATOM 51 O SER A 6 -2.016 8.176 -18.553 1.00 0.00 O ATOM 52 CB SER A 6 -2.034 5.112 -20.105 1.00 0.00 C ATOM 53 OG SER A 6 -1.603 4.130 -19.185 1.00 0.00 O ATOM 0 H SER A 6 -2.709 7.149 -21.246 1.00 0.00 H new ATOM 0 HA SER A 6 -3.797 5.625 -18.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.548 4.627 -20.935 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.165 5.621 -20.522 1.00 0.00 H new ATOM 0 HG SER A 6 -1.012 3.493 -19.639 1.00 0.00 H new ATOM 59 N GLY A 7 -1.911 6.337 -17.275 1.00 0.00 N ATOM 60 CA GLY A 7 -1.168 6.910 -16.169 1.00 0.00 C ATOM 61 C GLY A 7 -1.620 6.236 -14.886 1.00 0.00 C ATOM 62 O GLY A 7 -1.998 5.057 -14.907 1.00 0.00 O ATOM 0 H GLY A 7 -2.151 5.358 -17.119 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.098 6.766 -16.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.340 7.985 -16.113 1.00 0.00 H new ATOM 66 N GLN A 8 -1.637 6.994 -13.785 1.00 0.00 N ATOM 67 CA GLN A 8 -1.975 6.500 -12.453 1.00 0.00 C ATOM 68 C GLN A 8 -0.894 5.512 -11.974 1.00 0.00 C ATOM 69 O GLN A 8 0.145 5.341 -12.624 1.00 0.00 O ATOM 70 CB GLN A 8 -3.422 5.933 -12.445 1.00 0.00 C ATOM 71 CG GLN A 8 -4.374 6.642 -11.478 1.00 0.00 C ATOM 72 CD GLN A 8 -4.019 6.416 -10.013 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.805 5.288 -9.579 1.00 0.00 O ATOM 74 NE2 GLN A 8 -3.947 7.467 -9.218 1.00 0.00 N ATOM 0 H GLN A 8 -1.411 7.989 -13.799 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.977 7.313 -11.727 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.831 6.000 -13.453 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.383 4.875 -12.187 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.364 7.712 -11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.391 6.292 -11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.127 8.400 -9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.712 7.346 -8.233 1.00 0.00 H new ATOM 83 N ALA A 9 -1.095 4.914 -10.800 1.00 0.00 N ATOM 84 CA ALA A 9 -0.193 3.908 -10.266 1.00 0.00 C ATOM 85 C ALA A 9 -0.353 2.633 -11.087 1.00 0.00 C ATOM 86 O ALA A 9 -1.466 2.288 -11.490 1.00 0.00 O ATOM 87 CB ALA A 9 -0.533 3.639 -8.800 1.00 0.00 C ATOM 0 H ALA A 9 -1.891 5.118 -10.195 1.00 0.00 H new ATOM 0 HA ALA A 9 0.838 4.256 -10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.145 2.884 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.427 4.560 -8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.560 3.281 -8.724 1.00 0.00 H new ATOM 93 N GLU A 10 0.737 1.898 -11.290 1.00 0.00 N ATOM 94 CA GLU A 10 0.700 0.621 -11.982 1.00 0.00 C ATOM 95 C GLU A 10 0.405 -0.479 -10.963 1.00 0.00 C ATOM 96 O GLU A 10 1.327 -1.054 -10.374 1.00 0.00 O ATOM 97 CB GLU A 10 2.018 0.367 -12.720 1.00 0.00 C ATOM 98 CG GLU A 10 2.251 1.379 -13.844 1.00 0.00 C ATOM 99 CD GLU A 10 3.278 0.839 -14.836 1.00 0.00 C ATOM 100 OE1 GLU A 10 4.460 0.677 -14.459 1.00 0.00 O ATOM 101 OE2 GLU A 10 2.873 0.533 -15.974 1.00 0.00 O ATOM 0 H GLU A 10 1.668 2.174 -10.978 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.088 0.629 -12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.845 0.415 -12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.012 -0.641 -13.135 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.312 1.585 -14.358 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.600 2.323 -13.426 1.00 0.00 H new ATOM 108 N LEU A 11 -0.878 -0.771 -10.734 1.00 0.00 N ATOM 109 CA LEU A 11 -1.329 -1.892 -9.908 1.00 0.00 C ATOM 110 C LEU A 11 -0.767 -3.195 -10.499 1.00 0.00 C ATOM 111 O LEU A 11 -0.545 -3.267 -11.713 1.00 0.00 O ATOM 112 CB LEU A 11 -2.870 -1.906 -9.824 1.00 0.00 C ATOM 113 CG LEU A 11 -3.506 -0.914 -8.819 1.00 0.00 C ATOM 114 CD1 LEU A 11 -3.291 -1.354 -7.371 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.047 0.543 -8.969 1.00 0.00 C ATOM 0 H LEU A 11 -1.646 -0.225 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.959 -1.788 -8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.270 -1.693 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.190 -2.914 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.567 -0.940 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.753 -0.631 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.744 -2.333 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.223 -1.412 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.547 1.161 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.968 0.601 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.300 0.903 -9.966 1.00 0.00 H new ATOM 127 N MET A 12 -0.515 -4.198 -9.652 1.00 0.00 N ATOM 128 CA MET A 12 -0.064 -5.535 -10.048 1.00 0.00 C ATOM 129 C MET A 12 -1.193 -6.503 -9.708 1.00 0.00 C ATOM 130 O MET A 12 -1.877 -6.277 -8.712 1.00 0.00 O ATOM 131 CB MET A 12 1.216 -5.949 -9.297 1.00 0.00 C ATOM 132 CG MET A 12 2.451 -5.093 -9.613 1.00 0.00 C ATOM 133 SD MET A 12 4.059 -5.934 -9.456 1.00 0.00 S ATOM 134 CE MET A 12 3.967 -6.560 -7.765 1.00 0.00 C ATOM 0 H MET A 12 -0.622 -4.099 -8.643 1.00 0.00 H new ATOM 0 HA MET A 12 0.172 -5.545 -11.112 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.023 -5.902 -8.225 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.441 -6.989 -9.536 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.357 -4.716 -10.631 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.449 -4.227 -8.951 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.852 -7.159 -7.550 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.917 -5.722 -7.069 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.076 -7.177 -7.654 1.00 0.00 H new ATOM 144 N THR A 13 -1.382 -7.559 -10.497 1.00 0.00 N ATOM 145 CA THR A 13 -2.493 -8.497 -10.388 1.00 0.00 C ATOM 146 C THR A 13 -1.934 -9.902 -10.511 1.00 0.00 C ATOM 147 O THR A 13 -1.644 -10.390 -11.606 1.00 0.00 O ATOM 148 CB THR A 13 -3.537 -8.218 -11.463 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.966 -6.871 -11.416 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.739 -9.166 -11.386 1.00 0.00 C ATOM 0 H THR A 13 -0.742 -7.792 -11.256 1.00 0.00 H new ATOM 0 HA THR A 13 -2.991 -8.385 -9.425 1.00 0.00 H new ATOM 0 HB THR A 13 -3.048 -8.401 -12.420 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.634 -6.716 -12.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.448 -8.919 -12.176 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.400 -10.194 -11.511 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.225 -9.060 -10.416 1.00 0.00 H new ATOM 158 N LEU A 14 -1.742 -10.539 -9.374 1.00 0.00 N ATOM 159 CA LEU A 14 -1.078 -11.816 -9.232 1.00 0.00 C ATOM 160 C LEU A 14 -2.110 -12.910 -8.976 1.00 0.00 C ATOM 161 O LEU A 14 -3.267 -12.639 -8.647 1.00 0.00 O ATOM 162 CB LEU A 14 -0.062 -11.753 -8.084 1.00 0.00 C ATOM 163 CG LEU A 14 0.888 -10.542 -8.058 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.580 -10.241 -9.389 1.00 0.00 C ATOM 165 CD2 LEU A 14 0.295 -9.282 -7.432 1.00 0.00 C ATOM 0 H LEU A 14 -2.061 -10.161 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.545 -12.049 -10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.612 -11.772 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.544 -12.658 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 14 1.674 -10.876 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.228 -9.372 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.177 -11.102 -9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.829 -10.034 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.034 -8.481 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.589 -8.978 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.016 -9.486 -6.398 1.00 0.00 H new ATOM 177 N THR A 15 -1.666 -14.159 -9.081 1.00 0.00 N ATOM 178 CA THR A 15 -2.507 -15.337 -8.916 1.00 0.00 C ATOM 179 C THR A 15 -1.964 -16.232 -7.801 1.00 0.00 C ATOM 180 O THR A 15 -0.739 -16.358 -7.661 1.00 0.00 O ATOM 181 CB THR A 15 -2.595 -16.123 -10.242 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.170 -15.442 -11.409 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.999 -16.649 -10.436 1.00 0.00 C ATOM 0 H THR A 15 -0.693 -14.383 -9.287 1.00 0.00 H new ATOM 0 HA THR A 15 -3.509 -15.010 -8.638 1.00 0.00 H new ATOM 0 HB THR A 15 -1.874 -16.932 -10.124 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.267 -16.032 -12.186 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.054 -17.202 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.257 -17.310 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.699 -15.814 -10.466 1.00 0.00 H new ATOM 191 N ILE A 16 -2.852 -16.896 -7.057 1.00 0.00 N ATOM 192 CA ILE A 16 -2.531 -17.897 -6.042 1.00 0.00 C ATOM 193 C ILE A 16 -3.539 -19.042 -6.142 1.00 0.00 C ATOM 194 O ILE A 16 -4.726 -18.768 -6.259 1.00 0.00 O ATOM 195 CB ILE A 16 -2.534 -17.245 -4.635 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.765 -16.396 -4.266 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.291 -16.371 -4.474 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.672 -15.789 -2.867 1.00 0.00 C ATOM 0 H ILE A 16 -3.856 -16.743 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.533 -18.301 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.554 -18.096 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.880 -15.595 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.659 -17.016 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.294 -15.913 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.397 -16.985 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.294 -15.591 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.568 -15.202 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.586 -16.587 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.795 -15.144 -2.808 1.00 0.00 H new ATOM 210 N VAL A 17 -3.118 -20.311 -6.102 1.00 0.00 N ATOM 211 CA VAL A 17 -4.041 -21.449 -6.013 1.00 0.00 C ATOM 212 C VAL A 17 -4.019 -21.928 -4.567 1.00 0.00 C ATOM 213 O VAL A 17 -2.955 -22.223 -4.019 1.00 0.00 O ATOM 214 CB VAL A 17 -3.714 -22.548 -7.045 1.00 0.00 C ATOM 215 CG1 VAL A 17 -4.667 -23.757 -6.935 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.795 -21.960 -8.468 1.00 0.00 C ATOM 0 H VAL A 17 -2.134 -20.578 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.056 -21.150 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.705 -22.903 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.396 -24.503 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.587 -24.194 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.692 -23.429 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.564 -22.737 -9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.801 -21.581 -8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.077 -21.145 -8.566 1.00 0.00 H new ATOM 226 N LYS A 18 -5.191 -21.925 -3.935 1.00 0.00 N ATOM 227 CA LYS A 18 -5.356 -22.184 -2.511 1.00 0.00 C ATOM 228 C LYS A 18 -5.068 -23.654 -2.222 1.00 0.00 C ATOM 229 O LYS A 18 -5.767 -24.529 -2.745 1.00 0.00 O ATOM 230 CB LYS A 18 -6.784 -21.784 -2.133 1.00 0.00 C ATOM 231 CG LYS A 18 -6.963 -21.548 -0.632 1.00 0.00 C ATOM 232 CD LYS A 18 -8.437 -21.236 -0.368 1.00 0.00 C ATOM 233 CE LYS A 18 -8.615 -20.901 1.106 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.027 -20.802 1.511 1.00 0.00 N ATOM 0 H LYS A 18 -6.072 -21.737 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.656 -21.602 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.056 -20.877 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.472 -22.565 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.655 -22.429 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.334 -20.722 -0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.762 -20.399 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.057 -22.091 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.124 -21.666 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.115 -19.957 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.274 -19.804 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.631 -21.195 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.174 -21.337 2.391 1.00 0.00 H new ATOM 248 N GLY A 19 -4.040 -23.941 -1.431 1.00 0.00 N ATOM 249 CA GLY A 19 -3.521 -25.290 -1.265 1.00 0.00 C ATOM 250 C GLY A 19 -4.323 -26.114 -0.265 1.00 0.00 C ATOM 251 O GLY A 19 -4.979 -27.078 -0.663 1.00 0.00 O ATOM 0 H GLY A 19 -3.542 -23.239 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.523 -25.796 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.483 -25.237 -0.935 1.00 0.00 H new ATOM 255 N ALA A 20 -4.271 -25.785 1.029 1.00 0.00 N ATOM 256 CA ALA A 20 -4.928 -26.583 2.062 1.00 0.00 C ATOM 257 C ALA A 20 -5.298 -25.748 3.278 1.00 0.00 C ATOM 258 O ALA A 20 -6.479 -25.459 3.470 1.00 0.00 O ATOM 259 CB ALA A 20 -4.056 -27.776 2.450 1.00 0.00 C ATOM 0 H ALA A 20 -3.777 -24.967 1.385 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.862 -26.961 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.560 -28.360 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.885 -28.402 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.100 -27.419 2.833 1.00 0.00 H new ATOM 265 N GLN A 21 -4.332 -25.349 4.110 1.00 0.00 N ATOM 266 CA GLN A 21 -4.575 -24.672 5.388 1.00 0.00 C ATOM 267 C GLN A 21 -4.955 -23.191 5.171 1.00 0.00 C ATOM 268 O GLN A 21 -4.559 -22.318 5.951 1.00 0.00 O ATOM 269 CB GLN A 21 -3.350 -24.814 6.317 1.00 0.00 C ATOM 270 CG GLN A 21 -2.894 -26.252 6.630 1.00 0.00 C ATOM 271 CD GLN A 21 -2.160 -26.943 5.480 1.00 0.00 C ATOM 272 OE1 GLN A 21 -1.589 -26.302 4.602 1.00 0.00 O ATOM 273 NE2 GLN A 21 -2.195 -28.261 5.428 1.00 0.00 N ATOM 0 H GLN A 21 -3.341 -25.490 3.911 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.422 -25.154 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.514 -24.281 5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.575 -24.314 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.241 -26.232 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.767 -26.847 6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.671 -28.788 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.746 -28.753 4.655 1.00 0.00 H new ATOM 282 N GLY A 22 -5.702 -22.898 4.108 1.00 0.00 N ATOM 283 CA GLY A 22 -5.813 -21.616 3.458 1.00 0.00 C ATOM 284 C GLY A 22 -4.712 -21.536 2.420 1.00 0.00 C ATOM 285 O GLY A 22 -4.596 -22.432 1.579 1.00 0.00 O ATOM 0 H GLY A 22 -6.281 -23.606 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.791 -21.507 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.716 -20.808 4.183 1.00 0.00 H new ATOM 289 N PHE A 23 -3.925 -20.470 2.494 1.00 0.00 N ATOM 290 CA PHE A 23 -2.832 -20.186 1.584 1.00 0.00 C ATOM 291 C PHE A 23 -1.505 -20.263 2.340 1.00 0.00 C ATOM 292 O PHE A 23 -1.463 -20.214 3.577 1.00 0.00 O ATOM 293 CB PHE A 23 -3.039 -18.789 0.986 1.00 0.00 C ATOM 294 CG PHE A 23 -4.290 -18.616 0.145 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.502 -18.198 0.730 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.233 -18.835 -1.243 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.627 -17.957 -0.076 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.350 -18.564 -2.050 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.537 -18.083 -1.469 1.00 0.00 C ATOM 0 H PHE A 23 -4.037 -19.758 3.215 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.809 -20.919 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.067 -18.065 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.173 -18.544 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.566 -18.063 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.326 -19.213 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.564 -17.674 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.297 -18.725 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.375 -17.812 -2.093 1.00 0.00 H new ATOM 309 N GLY A 24 -0.411 -20.295 1.583 1.00 0.00 N ATOM 310 CA GLY A 24 0.958 -20.421 2.060 1.00 0.00 C ATOM 311 C GLY A 24 1.556 -19.107 2.556 1.00 0.00 C ATOM 312 O GLY A 24 2.771 -18.929 2.510 1.00 0.00 O ATOM 0 H GLY A 24 -0.462 -20.230 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.986 -21.151 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.580 -20.812 1.255 1.00 0.00 H new ATOM 316 N PHE A 25 0.739 -18.157 3.002 1.00 0.00 N ATOM 317 CA PHE A 25 1.179 -16.874 3.528 1.00 0.00 C ATOM 318 C PHE A 25 0.151 -16.391 4.547 1.00 0.00 C ATOM 319 O PHE A 25 -0.963 -16.931 4.613 1.00 0.00 O ATOM 320 CB PHE A 25 1.363 -15.883 2.366 1.00 0.00 C ATOM 321 CG PHE A 25 0.070 -15.315 1.800 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.689 -16.046 0.866 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.382 -14.050 2.222 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.887 -15.525 0.346 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.578 -13.527 1.695 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.332 -14.262 0.763 1.00 0.00 C ATOM 0 H PHE A 25 -0.275 -18.264 3.006 1.00 0.00 H new ATOM 0 HA PHE A 25 2.141 -16.963 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.987 -15.057 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.906 -16.383 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.347 -17.019 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.186 -13.484 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.461 -16.094 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.920 -12.552 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.252 -13.855 0.369 1.00 0.00 H new ATOM 336 N THR A 26 0.488 -15.365 5.325 1.00 0.00 N ATOM 337 CA THR A 26 -0.385 -14.827 6.360 1.00 0.00 C ATOM 338 C THR A 26 -0.502 -13.308 6.202 1.00 0.00 C ATOM 339 O THR A 26 0.359 -12.675 5.576 1.00 0.00 O ATOM 340 CB THR A 26 0.105 -15.276 7.752 1.00 0.00 C ATOM 341 OG1 THR A 26 1.260 -14.587 8.167 1.00 0.00 O ATOM 342 CG2 THR A 26 0.442 -16.763 7.841 1.00 0.00 C ATOM 0 H THR A 26 1.383 -14.881 5.252 1.00 0.00 H new ATOM 0 HA THR A 26 -1.394 -15.225 6.253 1.00 0.00 H new ATOM 0 HB THR A 26 -0.744 -15.049 8.397 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.530 -14.905 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.779 -17.000 8.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.445 -17.352 7.607 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.233 -17.000 7.130 1.00 0.00 H new ATOM 350 N ILE A 27 -1.554 -12.715 6.778 1.00 0.00 N ATOM 351 CA ILE A 27 -1.789 -11.271 6.719 1.00 0.00 C ATOM 352 C ILE A 27 -1.945 -10.698 8.122 1.00 0.00 C ATOM 353 O ILE A 27 -2.359 -11.403 9.047 1.00 0.00 O ATOM 354 CB ILE A 27 -2.956 -10.888 5.772 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.352 -11.378 6.225 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.650 -11.426 4.372 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.523 -10.760 5.435 1.00 0.00 C ATOM 0 H ILE A 27 -2.267 -13.226 7.299 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.907 -10.810 6.274 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.016 -9.800 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.394 -12.463 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.480 -11.148 7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.463 -11.163 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.720 -10.988 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.548 -12.510 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.466 -11.155 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.510 -9.676 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.422 -11.011 4.379 1.00 0.00 H new ATOM 369 N ALA A 28 -1.605 -9.426 8.291 1.00 0.00 N ATOM 370 CA ALA A 28 -1.795 -8.683 9.521 1.00 0.00 C ATOM 371 C ALA A 28 -2.105 -7.237 9.160 1.00 0.00 C ATOM 372 O ALA A 28 -1.533 -6.699 8.200 1.00 0.00 O ATOM 373 CB ALA A 28 -0.545 -8.751 10.398 1.00 0.00 C ATOM 0 H ALA A 28 -1.177 -8.870 7.551 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.619 -9.117 10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.713 -8.186 11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.331 -9.791 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.301 -8.325 9.859 1.00 0.00 H new ATOM 379 N ASP A 29 -2.955 -6.611 9.965 1.00 0.00 N ATOM 380 CA ASP A 29 -3.525 -5.317 9.645 1.00 0.00 C ATOM 381 C ASP A 29 -2.468 -4.224 9.731 1.00 0.00 C ATOM 382 O ASP A 29 -1.479 -4.324 10.466 1.00 0.00 O ATOM 383 CB ASP A 29 -4.727 -5.022 10.554 1.00 0.00 C ATOM 384 CG ASP A 29 -4.390 -4.188 11.786 1.00 0.00 C ATOM 385 OD1 ASP A 29 -4.008 -4.786 12.818 1.00 0.00 O ATOM 386 OD2 ASP A 29 -4.591 -2.951 11.767 1.00 0.00 O ATOM 0 H ASP A 29 -3.266 -6.991 10.859 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.885 -5.337 8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.488 -4.501 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.164 -5.967 10.877 1.00 0.00 H new ATOM 391 N SER A 30 -2.643 -3.215 8.892 1.00 0.00 N ATOM 392 CA SER A 30 -1.788 -2.054 8.754 1.00 0.00 C ATOM 393 C SER A 30 -2.727 -0.852 8.624 1.00 0.00 C ATOM 394 O SER A 30 -3.919 -1.030 8.337 1.00 0.00 O ATOM 395 CB SER A 30 -0.874 -2.284 7.532 1.00 0.00 C ATOM 396 OG SER A 30 -1.418 -1.725 6.353 1.00 0.00 O ATOM 0 H SER A 30 -3.436 -3.187 8.251 1.00 0.00 H new ATOM 0 HA SER A 30 -1.125 -1.875 9.601 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.105 -1.845 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.721 -3.354 7.389 1.00 0.00 H new ATOM 0 HG SER A 30 -2.239 -2.204 6.112 1.00 0.00 H new ATOM 402 N PRO A 31 -2.205 0.372 8.757 1.00 0.00 N ATOM 403 CA PRO A 31 -2.986 1.591 8.643 1.00 0.00 C ATOM 404 C PRO A 31 -3.440 1.874 7.211 1.00 0.00 C ATOM 405 O PRO A 31 -4.170 2.840 7.002 1.00 0.00 O ATOM 406 CB PRO A 31 -2.064 2.694 9.167 1.00 0.00 C ATOM 407 CG PRO A 31 -0.656 2.153 8.942 1.00 0.00 C ATOM 408 CD PRO A 31 -0.825 0.653 9.085 1.00 0.00 C ATOM 0 HA PRO A 31 -3.914 1.518 9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.220 3.630 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.247 2.897 10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.276 2.422 7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.048 2.549 9.674 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.149 0.119 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.592 0.329 10.099 1.00 0.00 H new ATOM 416 N THR A 32 -3.010 1.084 6.227 1.00 0.00 N ATOM 417 CA THR A 32 -3.193 1.389 4.819 1.00 0.00 C ATOM 418 C THR A 32 -3.801 0.226 4.035 1.00 0.00 C ATOM 419 O THR A 32 -4.129 0.408 2.863 1.00 0.00 O ATOM 420 CB THR A 32 -1.832 1.832 4.250 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.749 1.053 4.752 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.555 3.294 4.597 1.00 0.00 C ATOM 0 H THR A 32 -2.520 0.205 6.393 1.00 0.00 H new ATOM 0 HA THR A 32 -3.917 2.197 4.716 1.00 0.00 H new ATOM 0 HB THR A 32 -1.897 1.692 3.171 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.091 1.371 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.589 3.589 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.337 3.923 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.541 3.414 5.680 1.00 0.00 H new ATOM 430 N GLY A 33 -3.964 -0.948 4.646 1.00 0.00 N ATOM 431 CA GLY A 33 -4.485 -2.147 4.014 1.00 0.00 C ATOM 432 C GLY A 33 -4.066 -3.389 4.793 1.00 0.00 C ATOM 433 O GLY A 33 -3.420 -3.298 5.842 1.00 0.00 O ATOM 0 H GLY A 33 -3.727 -1.089 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.572 -2.094 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.119 -2.213 2.989 1.00 0.00 H new ATOM 437 N GLN A 34 -4.434 -4.569 4.302 1.00 0.00 N ATOM 438 CA GLN A 34 -4.203 -5.842 4.976 1.00 0.00 C ATOM 439 C GLN A 34 -2.903 -6.480 4.489 1.00 0.00 C ATOM 440 O GLN A 34 -2.925 -7.148 3.458 1.00 0.00 O ATOM 441 CB GLN A 34 -5.399 -6.767 4.693 1.00 0.00 C ATOM 442 CG GLN A 34 -6.747 -6.315 5.264 1.00 0.00 C ATOM 443 CD GLN A 34 -6.678 -5.613 6.615 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.941 -6.034 7.503 1.00 0.00 O ATOM 445 NE2 GLN A 34 -7.443 -4.559 6.812 1.00 0.00 N ATOM 0 H GLN A 34 -4.911 -4.668 3.406 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.108 -5.679 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.502 -6.875 3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.171 -7.755 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.220 -5.643 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.394 -7.187 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.049 -4.222 6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.429 -4.080 7.712 1.00 0.00 H new ATOM 454 N ARG A 35 -1.764 -6.247 5.150 1.00 0.00 N ATOM 455 CA ARG A 35 -0.460 -6.508 4.528 1.00 0.00 C ATOM 456 C ARG A 35 -0.021 -7.936 4.727 1.00 0.00 C ATOM 457 O ARG A 35 -0.437 -8.599 5.680 1.00 0.00 O ATOM 458 CB ARG A 35 0.605 -5.563 5.083 1.00 0.00 C ATOM 459 CG ARG A 35 0.393 -4.113 4.652 1.00 0.00 C ATOM 460 CD ARG A 35 1.622 -3.323 5.103 1.00 0.00 C ATOM 461 NE ARG A 35 1.335 -1.900 5.298 1.00 0.00 N ATOM 462 CZ ARG A 35 2.050 -1.065 6.057 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.219 -1.425 6.584 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.549 0.133 6.328 1.00 0.00 N ATOM 0 H ARG A 35 -1.717 -5.883 6.102 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.576 -6.332 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.601 -5.618 6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.588 -5.896 4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.269 -4.047 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.512 -3.706 5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.999 -3.745 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.412 -3.432 4.360 1.00 0.00 H new ATOM 0 HE ARG A 35 0.523 -1.515 4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.590 -2.359 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.743 -0.766 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.636 0.399 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.077 0.788 6.905 1.00 0.00 H new ATOM 478 N VAL A 36 0.925 -8.349 3.897 1.00 0.00 N ATOM 479 CA VAL A 36 1.569 -9.647 3.996 1.00 0.00 C ATOM 480 C VAL A 36 2.439 -9.589 5.235 1.00 0.00 C ATOM 481 O VAL A 36 3.380 -8.790 5.299 1.00 0.00 O ATOM 482 CB VAL A 36 2.371 -9.957 2.724 1.00 0.00 C ATOM 483 CG1 VAL A 36 3.253 -11.204 2.858 1.00 0.00 C ATOM 484 CG2 VAL A 36 1.414 -10.176 1.560 1.00 0.00 C ATOM 0 H VAL A 36 1.271 -7.781 3.124 1.00 0.00 H new ATOM 0 HA VAL A 36 0.845 -10.457 4.083 1.00 0.00 H new ATOM 0 HB VAL A 36 3.023 -9.101 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.794 -11.369 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.965 -11.060 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.628 -12.071 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.984 -10.396 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.753 -11.013 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.819 -9.276 1.404 1.00 0.00 H new ATOM 494 N LYS A 37 2.100 -10.405 6.228 1.00 0.00 N ATOM 495 CA LYS A 37 2.935 -10.617 7.395 1.00 0.00 C ATOM 496 C LYS A 37 4.138 -11.434 6.955 1.00 0.00 C ATOM 497 O LYS A 37 5.252 -10.920 7.035 1.00 0.00 O ATOM 498 CB LYS A 37 2.083 -11.257 8.495 1.00 0.00 C ATOM 499 CG LYS A 37 2.808 -11.970 9.646 1.00 0.00 C ATOM 500 CD LYS A 37 3.916 -11.193 10.368 1.00 0.00 C ATOM 501 CE LYS A 37 3.959 -11.549 11.869 1.00 0.00 C ATOM 502 NZ LYS A 37 4.213 -12.983 12.131 1.00 0.00 N ATOM 0 H LYS A 37 1.231 -10.939 6.241 1.00 0.00 H new ATOM 0 HA LYS A 37 3.323 -9.693 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.456 -10.478 8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.415 -11.978 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.062 -12.260 10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.242 -12.890 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.879 -11.418 9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.749 -10.122 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.736 -10.957 12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.012 -11.267 12.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.263 -13.145 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.441 -13.552 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.114 -13.262 11.693 1.00 0.00 H new ATOM 516 N GLN A 38 3.935 -12.655 6.459 1.00 0.00 N ATOM 517 CA GLN A 38 5.023 -13.511 6.011 1.00 0.00 C ATOM 518 C GLN A 38 4.496 -14.409 4.896 1.00 0.00 C ATOM 519 O GLN A 38 3.351 -14.858 4.950 1.00 0.00 O ATOM 520 CB GLN A 38 5.554 -14.314 7.220 1.00 0.00 C ATOM 521 CG GLN A 38 6.646 -15.326 6.829 1.00 0.00 C ATOM 522 CD GLN A 38 7.818 -15.423 7.808 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.669 -15.373 9.030 1.00 0.00 O ATOM 524 NE2 GLN A 38 9.026 -15.591 7.302 1.00 0.00 N ATOM 0 H GLN A 38 3.011 -13.074 6.358 1.00 0.00 H new ATOM 0 HA GLN A 38 5.856 -12.933 5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.954 -13.623 7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.726 -14.843 7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.190 -16.311 6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.034 -15.058 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.154 -15.633 6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.831 -15.679 7.922 1.00 0.00 H new ATOM 533 N ILE A 39 5.345 -14.676 3.906 1.00 0.00 N ATOM 534 CA ILE A 39 5.129 -15.672 2.869 1.00 0.00 C ATOM 535 C ILE A 39 5.864 -16.915 3.359 1.00 0.00 C ATOM 536 O ILE A 39 7.091 -16.897 3.464 1.00 0.00 O ATOM 537 CB ILE A 39 5.640 -15.159 1.503 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.966 -13.817 1.139 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.355 -16.214 0.425 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.393 -13.215 -0.204 1.00 0.00 C ATOM 0 H ILE A 39 6.233 -14.185 3.804 1.00 0.00 H new ATOM 0 HA ILE A 39 4.075 -15.893 2.703 1.00 0.00 H new ATOM 0 HB ILE A 39 6.715 -14.989 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.886 -13.963 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.181 -13.095 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.714 -15.855 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.866 -17.142 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.282 -16.395 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.864 -12.276 -0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.467 -13.030 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.152 -13.911 -1.008 1.00 0.00 H new ATOM 552 N LEU A 40 5.126 -17.958 3.732 1.00 0.00 N ATOM 553 CA LEU A 40 5.686 -19.232 4.179 1.00 0.00 C ATOM 554 C LEU A 40 6.141 -20.033 2.957 1.00 0.00 C ATOM 555 O LEU A 40 7.178 -20.698 2.997 1.00 0.00 O ATOM 556 CB LEU A 40 4.643 -20.037 4.987 1.00 0.00 C ATOM 557 CG LEU A 40 3.932 -19.252 6.111 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.795 -20.086 6.710 1.00 0.00 C ATOM 559 CD2 LEU A 40 4.891 -18.833 7.232 1.00 0.00 C ATOM 0 H LEU A 40 4.106 -17.942 3.732 1.00 0.00 H new ATOM 0 HA LEU A 40 6.538 -19.039 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.889 -20.417 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.138 -20.903 5.427 1.00 0.00 H new ATOM 0 HG LEU A 40 3.533 -18.347 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.305 -19.518 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.070 -20.325 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.200 -21.009 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.340 -18.285 7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.341 -19.721 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.674 -18.196 6.822 1.00 0.00 H new ATOM 571 N ASP A 41 5.400 -19.940 1.853 1.00 0.00 N ATOM 572 CA ASP A 41 5.588 -20.702 0.624 1.00 0.00 C ATOM 573 C ASP A 41 5.549 -19.748 -0.565 1.00 0.00 C ATOM 574 O ASP A 41 4.472 -19.425 -1.068 1.00 0.00 O ATOM 575 CB ASP A 41 4.485 -21.758 0.493 1.00 0.00 C ATOM 576 CG ASP A 41 4.618 -22.576 -0.802 1.00 0.00 C ATOM 577 OD1 ASP A 41 5.679 -22.530 -1.470 1.00 0.00 O ATOM 578 OD2 ASP A 41 3.654 -23.272 -1.189 1.00 0.00 O ATOM 0 H ASP A 41 4.611 -19.296 1.791 1.00 0.00 H new ATOM 0 HA ASP A 41 6.553 -21.209 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.523 -22.429 1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.511 -21.269 0.514 1.00 0.00 H new ATOM 583 N ILE A 42 6.710 -19.263 -1.005 1.00 0.00 N ATOM 584 CA ILE A 42 6.805 -18.362 -2.154 1.00 0.00 C ATOM 585 C ILE A 42 6.176 -19.013 -3.388 1.00 0.00 C ATOM 586 O ILE A 42 5.400 -18.378 -4.097 1.00 0.00 O ATOM 587 CB ILE A 42 8.274 -17.935 -2.364 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.693 -16.973 -1.230 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.459 -17.274 -3.741 1.00 0.00 C ATOM 590 CD1 ILE A 42 10.210 -16.795 -1.093 1.00 0.00 C ATOM 0 H ILE A 42 7.609 -19.483 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 42 6.238 -17.450 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 42 8.912 -18.819 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.238 -15.999 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.294 -17.345 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.501 -16.981 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.183 -17.981 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.823 -16.391 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.423 -16.106 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.672 -17.760 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.615 -16.393 -2.022 1.00 0.00 H new ATOM 602 N GLN A 43 6.461 -20.291 -3.625 1.00 0.00 N ATOM 603 CA GLN A 43 5.900 -21.036 -4.744 1.00 0.00 C ATOM 604 C GLN A 43 4.395 -21.272 -4.597 1.00 0.00 C ATOM 605 O GLN A 43 3.754 -21.702 -5.556 1.00 0.00 O ATOM 606 CB GLN A 43 6.666 -22.360 -4.880 1.00 0.00 C ATOM 607 CG GLN A 43 7.882 -22.207 -5.802 1.00 0.00 C ATOM 608 CD GLN A 43 7.594 -22.680 -7.229 1.00 0.00 C ATOM 609 OE1 GLN A 43 6.491 -22.515 -7.753 1.00 0.00 O ATOM 610 NE2 GLN A 43 8.567 -23.301 -7.872 1.00 0.00 N ATOM 0 H GLN A 43 7.092 -20.840 -3.041 1.00 0.00 H new ATOM 0 HA GLN A 43 6.016 -20.445 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.993 -22.696 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.001 -23.128 -5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.189 -21.161 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.718 -22.776 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.474 -23.429 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.411 -23.652 -8.817 1.00 0.00 H new ATOM 619 N GLY A 44 3.804 -21.030 -3.428 1.00 0.00 N ATOM 620 CA GLY A 44 2.366 -21.072 -3.209 1.00 0.00 C ATOM 621 C GLY A 44 1.742 -19.691 -3.358 1.00 0.00 C ATOM 622 O GLY A 44 0.518 -19.602 -3.466 1.00 0.00 O ATOM 0 H GLY A 44 4.330 -20.793 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.908 -21.759 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.159 -21.461 -2.212 1.00 0.00 H new ATOM 626 N CYS A 45 2.549 -18.623 -3.371 1.00 0.00 N ATOM 627 CA CYS A 45 2.098 -17.245 -3.497 1.00 0.00 C ATOM 628 C CYS A 45 2.945 -16.517 -4.559 1.00 0.00 C ATOM 629 O CYS A 45 3.577 -15.504 -4.258 1.00 0.00 O ATOM 630 CB CYS A 45 2.040 -16.543 -2.122 1.00 0.00 C ATOM 631 SG CYS A 45 1.834 -17.731 -0.756 1.00 0.00 S ATOM 0 H CYS A 45 3.563 -18.704 -3.291 1.00 0.00 H new ATOM 0 HA CYS A 45 1.069 -17.220 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.954 -15.970 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.213 -15.833 -2.112 1.00 0.00 H new ATOM 0 HG CYS A 45 2.863 -18.524 -0.712 1.00 0.00 H new ATOM 637 N PRO A 46 3.033 -17.042 -5.797 1.00 0.00 N ATOM 638 CA PRO A 46 4.056 -16.618 -6.742 1.00 0.00 C ATOM 639 C PRO A 46 3.799 -15.194 -7.234 1.00 0.00 C ATOM 640 O PRO A 46 2.734 -14.902 -7.785 1.00 0.00 O ATOM 641 CB PRO A 46 4.026 -17.640 -7.882 1.00 0.00 C ATOM 642 CG PRO A 46 2.595 -18.169 -7.838 1.00 0.00 C ATOM 643 CD PRO A 46 2.277 -18.157 -6.350 1.00 0.00 C ATOM 0 HA PRO A 46 5.043 -16.588 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.255 -17.179 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.755 -18.436 -7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.912 -17.535 -8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.521 -19.172 -8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.208 -18.029 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.565 -19.097 -5.880 1.00 0.00 H new ATOM 651 N GLY A 47 4.779 -14.308 -7.073 1.00 0.00 N ATOM 652 CA GLY A 47 4.714 -12.904 -7.476 1.00 0.00 C ATOM 653 C GLY A 47 4.324 -11.966 -6.341 1.00 0.00 C ATOM 654 O GLY A 47 4.525 -10.753 -6.467 1.00 0.00 O ATOM 0 H GLY A 47 5.671 -14.555 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.684 -12.602 -7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.994 -12.800 -8.287 1.00 0.00 H new ATOM 658 N LEU A 48 3.775 -12.508 -5.250 1.00 0.00 N ATOM 659 CA LEU A 48 3.391 -11.740 -4.078 1.00 0.00 C ATOM 660 C LEU A 48 4.652 -11.126 -3.456 1.00 0.00 C ATOM 661 O LEU A 48 5.750 -11.678 -3.582 1.00 0.00 O ATOM 662 CB LEU A 48 2.663 -12.675 -3.094 1.00 0.00 C ATOM 663 CG LEU A 48 1.758 -11.945 -2.087 1.00 0.00 C ATOM 664 CD1 LEU A 48 0.489 -11.446 -2.785 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.354 -12.897 -0.955 1.00 0.00 C ATOM 0 H LEU A 48 3.585 -13.506 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 48 2.713 -10.928 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.059 -13.383 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.404 -13.256 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 48 2.311 -11.099 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.145 -10.931 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.761 -10.758 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.053 -12.294 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.713 -12.370 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.813 -13.747 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.248 -13.251 -0.441 1.00 0.00 H new ATOM 677 N CYS A 49 4.517 -9.996 -2.765 1.00 0.00 N ATOM 678 CA CYS A 49 5.619 -9.324 -2.091 1.00 0.00 C ATOM 679 C CYS A 49 5.258 -9.135 -0.623 1.00 0.00 C ATOM 680 O CYS A 49 4.087 -9.020 -0.261 1.00 0.00 O ATOM 681 CB CYS A 49 5.949 -7.998 -2.793 1.00 0.00 C ATOM 682 SG CYS A 49 4.481 -6.934 -2.940 1.00 0.00 S ATOM 0 H CYS A 49 3.623 -9.516 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 49 6.522 -9.933 -2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.725 -7.474 -2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.352 -8.201 -3.785 1.00 0.00 H new ATOM 0 HG CYS A 49 4.845 -5.686 -2.918 1.00 0.00 H new ATOM 688 N GLU A 50 6.268 -9.093 0.237 1.00 0.00 N ATOM 689 CA GLU A 50 6.061 -8.865 1.657 1.00 0.00 C ATOM 690 C GLU A 50 5.776 -7.377 1.845 1.00 0.00 C ATOM 691 O GLU A 50 6.394 -6.541 1.185 1.00 0.00 O ATOM 692 CB GLU A 50 7.278 -9.360 2.447 1.00 0.00 C ATOM 693 CG GLU A 50 7.459 -10.879 2.266 1.00 0.00 C ATOM 694 CD GLU A 50 8.855 -11.272 1.776 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.232 -10.993 0.610 1.00 0.00 O ATOM 696 OE2 GLU A 50 9.581 -11.911 2.570 1.00 0.00 O ATOM 0 H GLU A 50 7.245 -9.215 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 50 5.210 -9.427 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.174 -8.839 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.152 -9.126 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.262 -11.376 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.717 -11.244 1.556 1.00 0.00 H new ATOM 703 N GLY A 51 4.815 -7.034 2.705 1.00 0.00 N ATOM 704 CA GLY A 51 4.315 -5.667 2.758 1.00 0.00 C ATOM 705 C GLY A 51 3.727 -5.240 1.409 1.00 0.00 C ATOM 706 O GLY A 51 4.020 -4.144 0.932 1.00 0.00 O ATOM 0 H GLY A 51 4.375 -7.677 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.552 -5.586 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.124 -4.991 3.035 1.00 0.00 H new ATOM 710 N ASP A 52 2.920 -6.100 0.779 1.00 0.00 N ATOM 711 CA ASP A 52 2.020 -5.717 -0.314 1.00 0.00 C ATOM 712 C ASP A 52 1.029 -4.633 0.126 1.00 0.00 C ATOM 713 O ASP A 52 1.058 -4.180 1.274 1.00 0.00 O ATOM 714 CB ASP A 52 1.242 -6.938 -0.839 1.00 0.00 C ATOM 715 CG ASP A 52 0.027 -7.347 0.011 1.00 0.00 C ATOM 716 OD1 ASP A 52 -0.058 -7.023 1.222 1.00 0.00 O ATOM 717 OD2 ASP A 52 -0.824 -8.083 -0.516 1.00 0.00 O ATOM 0 H ASP A 52 2.873 -7.091 1.016 1.00 0.00 H new ATOM 0 HA ASP A 52 2.642 -5.316 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.903 -6.726 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.925 -7.786 -0.902 1.00 0.00 H new ATOM 722 N LEU A 53 0.115 -4.246 -0.770 1.00 0.00 N ATOM 723 CA LEU A 53 -1.020 -3.418 -0.408 1.00 0.00 C ATOM 724 C LEU A 53 -2.259 -3.894 -1.157 1.00 0.00 C ATOM 725 O LEU A 53 -2.459 -3.491 -2.296 1.00 0.00 O ATOM 726 CB LEU A 53 -0.674 -1.942 -0.625 1.00 0.00 C ATOM 727 CG LEU A 53 -1.398 -0.961 0.309 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.851 -0.720 -0.094 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.322 -1.362 1.797 1.00 0.00 C ATOM 0 H LEU A 53 0.148 -4.500 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.255 -3.515 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.401 -1.814 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.907 -1.678 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.853 -0.024 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.310 -0.019 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.885 -0.306 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.396 -1.664 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.854 -0.626 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.780 -2.342 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.279 -1.402 2.110 1.00 0.00 H new ATOM 741 N ILE A 54 -3.034 -4.805 -0.570 1.00 0.00 N ATOM 742 CA ILE A 54 -4.240 -5.399 -1.151 1.00 0.00 C ATOM 743 C ILE A 54 -5.220 -4.276 -1.542 1.00 0.00 C ATOM 744 O ILE A 54 -5.463 -3.351 -0.764 1.00 0.00 O ATOM 745 CB ILE A 54 -4.869 -6.420 -0.156 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.923 -7.606 0.154 1.00 0.00 C ATOM 747 CG2 ILE A 54 -6.193 -7.012 -0.673 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.548 -8.708 1.031 1.00 0.00 C ATOM 0 H ILE A 54 -2.831 -5.165 0.362 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.990 -5.954 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.050 -5.841 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.596 -8.049 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.032 -7.224 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.587 -7.717 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.914 -6.210 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.017 -7.529 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.816 -9.499 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.849 -8.284 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.421 -9.122 0.527 1.00 0.00 H new ATOM 760 N VAL A 55 -5.816 -4.382 -2.734 1.00 0.00 N ATOM 761 CA VAL A 55 -6.827 -3.461 -3.256 1.00 0.00 C ATOM 762 C VAL A 55 -8.058 -4.234 -3.727 1.00 0.00 C ATOM 763 O VAL A 55 -9.184 -3.842 -3.403 1.00 0.00 O ATOM 764 CB VAL A 55 -6.209 -2.619 -4.390 1.00 0.00 C ATOM 765 CG1 VAL A 55 -7.267 -1.799 -5.132 1.00 0.00 C ATOM 766 CG2 VAL A 55 -5.144 -1.673 -3.831 1.00 0.00 C ATOM 0 H VAL A 55 -5.599 -5.138 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.155 -2.785 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.755 -3.315 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.790 -1.220 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.007 -2.470 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.759 -1.122 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.717 -1.085 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.599 -1.005 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.357 -2.254 -3.351 1.00 0.00 H new ATOM 776 N GLU A 56 -7.857 -5.319 -4.475 1.00 0.00 N ATOM 777 CA GLU A 56 -8.919 -6.249 -4.850 1.00 0.00 C ATOM 778 C GLU A 56 -8.473 -7.656 -4.502 1.00 0.00 C ATOM 779 O GLU A 56 -7.283 -7.976 -4.595 1.00 0.00 O ATOM 780 CB GLU A 56 -9.294 -6.174 -6.345 1.00 0.00 C ATOM 781 CG GLU A 56 -10.008 -4.875 -6.703 1.00 0.00 C ATOM 782 CD GLU A 56 -10.302 -4.746 -8.196 1.00 0.00 C ATOM 783 OE1 GLU A 56 -11.201 -5.460 -8.693 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.623 -3.950 -8.885 1.00 0.00 O ATOM 0 H GLU A 56 -6.941 -5.579 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.814 -5.970 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.391 -6.267 -6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.934 -7.019 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.944 -4.817 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.396 -4.031 -6.385 1.00 0.00 H new ATOM 791 N ILE A 57 -9.445 -8.495 -4.164 1.00 0.00 N ATOM 792 CA ILE A 57 -9.357 -9.931 -4.364 1.00 0.00 C ATOM 793 C ILE A 57 -10.423 -10.219 -5.408 1.00 0.00 C ATOM 794 O ILE A 57 -11.525 -9.680 -5.318 1.00 0.00 O ATOM 795 CB ILE A 57 -9.586 -10.730 -3.062 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.437 -10.454 -2.073 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.670 -12.254 -3.337 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.841 -10.734 -0.627 1.00 0.00 C ATOM 0 H ILE A 57 -10.322 -8.192 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.362 -10.239 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.535 -10.406 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.578 -11.072 -2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.122 -9.415 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.831 -12.785 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.499 -12.456 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.739 -12.594 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.999 -10.525 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.682 -10.097 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.130 -11.780 -0.526 1.00 0.00 H new ATOM 810 N ASN A 58 -10.093 -11.089 -6.356 1.00 0.00 N ATOM 811 CA ASN A 58 -10.954 -11.754 -7.336 1.00 0.00 C ATOM 812 C ASN A 58 -11.577 -10.856 -8.408 1.00 0.00 C ATOM 813 O ASN A 58 -11.492 -11.145 -9.601 1.00 0.00 O ATOM 814 CB ASN A 58 -12.022 -12.610 -6.628 1.00 0.00 C ATOM 815 CG ASN A 58 -11.975 -13.999 -7.221 1.00 0.00 C ATOM 816 OD1 ASN A 58 -12.399 -14.221 -8.348 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.364 -14.927 -6.499 1.00 0.00 N ATOM 0 H ASN A 58 -9.121 -11.376 -6.471 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.278 -12.395 -7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.831 -12.647 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.011 -12.172 -6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.233 -15.865 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.024 -14.704 -5.563 1.00 0.00 H new ATOM 824 N GLN A 59 -12.263 -9.817 -7.951 1.00 0.00 N ATOM 825 CA GLN A 59 -13.338 -9.036 -8.565 1.00 0.00 C ATOM 826 C GLN A 59 -14.108 -8.138 -7.557 1.00 0.00 C ATOM 827 O GLN A 59 -15.214 -7.693 -7.880 1.00 0.00 O ATOM 828 CB GLN A 59 -14.287 -9.870 -9.443 1.00 0.00 C ATOM 829 CG GLN A 59 -14.824 -11.050 -8.655 1.00 0.00 C ATOM 830 CD GLN A 59 -16.061 -11.714 -9.250 1.00 0.00 C ATOM 831 OE1 GLN A 59 -16.877 -11.065 -9.914 1.00 0.00 O ATOM 832 NE2 GLN A 59 -16.267 -12.985 -8.954 1.00 0.00 N ATOM 0 H GLN A 59 -12.054 -9.453 -7.021 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.822 -8.357 -9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.113 -9.249 -9.791 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.759 -10.224 -10.328 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -14.036 -11.798 -8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.060 -10.716 -7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.578 -13.499 -8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -17.115 -13.452 -9.275 1.00 0.00 H new ATOM 841 N GLN A 60 -13.619 -7.903 -6.331 1.00 0.00 N ATOM 842 CA GLN A 60 -14.284 -7.138 -5.279 1.00 0.00 C ATOM 843 C GLN A 60 -13.295 -6.126 -4.690 1.00 0.00 C ATOM 844 O GLN A 60 -12.127 -6.472 -4.498 1.00 0.00 O ATOM 845 CB GLN A 60 -14.772 -8.137 -4.213 1.00 0.00 C ATOM 846 CG GLN A 60 -15.253 -7.447 -2.932 1.00 0.00 C ATOM 847 CD GLN A 60 -16.031 -8.322 -1.944 1.00 0.00 C ATOM 848 OE1 GLN A 60 -16.855 -7.819 -1.184 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.795 -9.622 -1.885 1.00 0.00 N ATOM 0 H GLN A 60 -12.709 -8.259 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.137 -6.581 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.585 -8.735 -4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.963 -8.825 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.384 -7.037 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.884 -6.604 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.112 -10.045 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.296 -10.201 -1.211 1.00 0.00 H new ATOM 858 N ASN A 61 -13.755 -4.910 -4.354 1.00 0.00 N ATOM 859 CA ASN A 61 -12.970 -3.950 -3.577 1.00 0.00 C ATOM 860 C ASN A 61 -12.827 -4.453 -2.146 1.00 0.00 C ATOM 861 O ASN A 61 -13.820 -4.741 -1.482 1.00 0.00 O ATOM 862 CB ASN A 61 -13.628 -2.562 -3.523 1.00 0.00 C ATOM 863 CG ASN A 61 -12.785 -1.585 -2.703 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.817 -1.586 -1.473 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.977 -0.772 -3.355 1.00 0.00 N ATOM 0 H ASN A 61 -14.680 -4.570 -4.615 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.002 -3.858 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.755 -2.177 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.623 -2.645 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.370 -0.135 -2.839 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.959 -0.780 -4.375 1.00 0.00 H new ATOM 872 N VAL A 62 -11.596 -4.489 -1.652 1.00 0.00 N ATOM 873 CA VAL A 62 -11.242 -4.873 -0.285 1.00 0.00 C ATOM 874 C VAL A 62 -10.235 -3.821 0.251 1.00 0.00 C ATOM 875 O VAL A 62 -9.456 -4.101 1.162 1.00 0.00 O ATOM 876 CB VAL A 62 -10.703 -6.326 -0.333 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.608 -7.351 -1.045 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.362 -6.428 -1.054 1.00 0.00 C ATOM 0 H VAL A 62 -10.781 -4.242 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.084 -4.877 0.407 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.637 -6.567 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.135 -8.333 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.572 -7.399 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.758 -7.046 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.030 -7.466 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.473 -6.077 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.624 -5.813 -0.538 1.00 0.00 H new ATOM 888 N GLN A 63 -10.200 -2.599 -0.312 1.00 0.00 N ATOM 889 CA GLN A 63 -9.339 -1.518 0.158 1.00 0.00 C ATOM 890 C GLN A 63 -9.685 -1.138 1.602 1.00 0.00 C ATOM 891 O GLN A 63 -8.833 -1.248 2.485 1.00 0.00 O ATOM 892 CB GLN A 63 -9.476 -0.298 -0.767 1.00 0.00 C ATOM 893 CG GLN A 63 -8.304 -0.042 -1.720 1.00 0.00 C ATOM 894 CD GLN A 63 -7.627 1.298 -1.421 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.869 2.309 -2.081 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.761 1.343 -0.418 1.00 0.00 N ATOM 0 H GLN A 63 -10.777 -2.340 -1.113 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.305 -1.862 0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.382 -0.418 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.615 0.588 -0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.576 -0.848 -1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.661 -0.050 -2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.565 0.502 0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.291 2.219 -0.189 1.00 0.00 H new ATOM 905 N ASN A 64 -10.928 -0.699 1.847 1.00 0.00 N ATOM 906 CA ASN A 64 -11.350 -0.277 3.188 1.00 0.00 C ATOM 907 C ASN A 64 -11.482 -1.477 4.130 1.00 0.00 C ATOM 908 O ASN A 64 -11.524 -1.312 5.346 1.00 0.00 O ATOM 909 CB ASN A 64 -12.722 0.414 3.179 1.00 0.00 C ATOM 910 CG ASN A 64 -12.793 1.772 2.494 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.096 2.719 2.853 1.00 0.00 O ATOM 912 ND2 ASN A 64 -13.662 1.905 1.508 1.00 0.00 N ATOM 0 H ASN A 64 -11.656 -0.627 1.136 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.579 0.415 3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.436 -0.251 2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.050 0.535 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.762 2.802 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.233 1.110 1.221 1.00 0.00 H new ATOM 919 N LEU A 65 -11.640 -2.675 3.563 1.00 0.00 N ATOM 920 CA LEU A 65 -12.035 -3.889 4.243 1.00 0.00 C ATOM 921 C LEU A 65 -11.151 -4.170 5.443 1.00 0.00 C ATOM 922 O LEU A 65 -9.920 -4.087 5.362 1.00 0.00 O ATOM 923 CB LEU A 65 -12.023 -5.038 3.220 1.00 0.00 C ATOM 924 CG LEU A 65 -13.400 -5.245 2.583 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.094 -4.010 2.023 1.00 0.00 C ATOM 926 CD2 LEU A 65 -13.588 -6.489 1.723 1.00 0.00 C ATOM 0 H LEU A 65 -11.485 -2.821 2.565 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.043 -3.781 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.291 -4.824 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.707 -5.959 3.711 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.962 -5.473 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.058 -4.294 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.247 -3.285 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.474 -3.566 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.606 -6.512 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.883 -6.467 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.410 -7.379 2.327 1.00 0.00 H new ATOM 938 N SER A 66 -11.809 -4.522 6.542 1.00 0.00 N ATOM 939 CA SER A 66 -11.162 -4.982 7.758 1.00 0.00 C ATOM 940 C SER A 66 -10.281 -6.196 7.446 1.00 0.00 C ATOM 941 O SER A 66 -10.493 -6.911 6.458 1.00 0.00 O ATOM 942 CB SER A 66 -12.213 -5.396 8.800 1.00 0.00 C ATOM 943 OG SER A 66 -13.331 -4.532 8.893 1.00 0.00 O ATOM 0 H SER A 66 -12.826 -4.494 6.610 1.00 0.00 H new ATOM 0 HA SER A 66 -10.556 -4.168 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.566 -6.399 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.733 -5.452 9.777 1.00 0.00 H new ATOM 0 HG SER A 66 -13.949 -4.869 9.575 1.00 0.00 H new ATOM 949 N HIS A 67 -9.361 -6.496 8.359 1.00 0.00 N ATOM 950 CA HIS A 67 -8.596 -7.735 8.358 1.00 0.00 C ATOM 951 C HIS A 67 -9.547 -8.914 8.199 1.00 0.00 C ATOM 952 O HIS A 67 -9.382 -9.721 7.294 1.00 0.00 O ATOM 953 CB HIS A 67 -7.809 -7.786 9.670 1.00 0.00 C ATOM 954 CG HIS A 67 -7.097 -9.089 9.919 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.897 -9.458 9.368 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.504 -10.099 10.748 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.577 -10.666 9.839 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.514 -11.092 10.712 1.00 0.00 N ATOM 0 H HIS A 67 -9.124 -5.874 9.132 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.894 -7.783 7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.076 -6.980 9.671 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.493 -7.596 10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.418 -10.126 11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.694 -11.223 9.561 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.504 -11.964 11.241 1.00 0.00 H new ATOM 966 N THR A 68 -10.575 -8.951 9.037 1.00 0.00 N ATOM 967 CA THR A 68 -11.662 -9.907 9.074 1.00 0.00 C ATOM 968 C THR A 68 -12.250 -10.138 7.687 1.00 0.00 C ATOM 969 O THR A 68 -12.361 -11.269 7.241 1.00 0.00 O ATOM 970 CB THR A 68 -12.748 -9.370 10.031 1.00 0.00 C ATOM 971 OG1 THR A 68 -12.365 -8.160 10.669 1.00 0.00 O ATOM 972 CG2 THR A 68 -13.067 -10.392 11.100 1.00 0.00 C ATOM 0 H THR A 68 -10.673 -8.249 9.770 1.00 0.00 H new ATOM 0 HA THR A 68 -11.283 -10.866 9.428 1.00 0.00 H new ATOM 0 HB THR A 68 -13.625 -9.173 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.086 -7.861 11.262 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.834 -9.996 11.765 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.430 -11.307 10.632 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.167 -10.611 11.674 1.00 0.00 H new ATOM 980 N GLU A 69 -12.614 -9.063 6.996 1.00 0.00 N ATOM 981 CA GLU A 69 -13.361 -9.099 5.751 1.00 0.00 C ATOM 982 C GLU A 69 -12.505 -9.790 4.691 1.00 0.00 C ATOM 983 O GLU A 69 -12.985 -10.695 4.010 1.00 0.00 O ATOM 984 CB GLU A 69 -13.718 -7.650 5.356 1.00 0.00 C ATOM 985 CG GLU A 69 -14.477 -6.861 6.441 1.00 0.00 C ATOM 986 CD GLU A 69 -15.960 -6.742 6.139 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.345 -6.009 5.206 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.768 -7.344 6.880 1.00 0.00 O ATOM 0 H GLU A 69 -12.389 -8.115 7.299 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.289 -9.661 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.799 -7.116 5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.324 -7.672 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.344 -7.353 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.046 -5.864 6.530 1.00 0.00 H new ATOM 995 N VAL A 70 -11.229 -9.401 4.593 1.00 0.00 N ATOM 996 CA VAL A 70 -10.241 -9.964 3.682 1.00 0.00 C ATOM 997 C VAL A 70 -9.990 -11.438 4.010 1.00 0.00 C ATOM 998 O VAL A 70 -9.974 -12.269 3.100 1.00 0.00 O ATOM 999 CB VAL A 70 -8.960 -9.104 3.764 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -7.788 -9.635 2.936 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.253 -7.679 3.272 1.00 0.00 C ATOM 0 H VAL A 70 -10.846 -8.654 5.173 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.604 -9.941 2.654 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.669 -9.132 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.931 -8.971 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.522 -10.634 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.075 -9.678 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.345 -7.079 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.596 -7.714 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.027 -7.231 3.895 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.800 -11.776 5.290 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.630 -13.155 5.739 1.00 0.00 C ATOM 1013 C VAL A 71 -10.823 -13.982 5.273 1.00 0.00 C ATOM 1014 O VAL A 71 -10.642 -15.083 4.753 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.463 -13.189 7.277 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.518 -14.597 7.875 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.123 -12.588 7.682 1.00 0.00 C ATOM 0 H VAL A 71 -9.760 -11.093 6.046 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.729 -13.588 5.305 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.304 -12.613 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.393 -14.538 8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.481 -15.053 7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.719 -15.204 7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.023 -12.620 8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.315 -13.160 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.071 -11.553 7.343 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.022 -13.441 5.446 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.280 -14.142 5.203 1.00 0.00 C ATOM 1029 C ASP A 72 -13.499 -14.397 3.714 1.00 0.00 C ATOM 1030 O ASP A 72 -13.867 -15.506 3.326 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.456 -13.415 5.879 1.00 0.00 C ATOM 1032 CG ASP A 72 -14.813 -14.134 7.182 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -13.918 -14.318 8.044 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.958 -14.623 7.305 1.00 0.00 O ATOM 0 H ASP A 72 -12.152 -12.481 5.766 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.222 -15.127 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.188 -12.378 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.318 -13.396 5.213 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.175 -13.431 2.857 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.179 -13.592 1.405 1.00 0.00 C ATOM 1041 C ILE A 73 -12.205 -14.709 1.022 1.00 0.00 C ATOM 1042 O ILE A 73 -12.571 -15.631 0.288 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.851 -12.225 0.765 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.045 -11.280 1.009 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.570 -12.283 -0.746 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.652 -9.807 0.972 1.00 0.00 C ATOM 0 H ILE A 73 -12.897 -12.497 3.158 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.155 -13.896 1.027 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.933 -11.871 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.809 -11.466 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.491 -11.508 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.349 -11.281 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.716 -12.934 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.445 -12.675 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.533 -9.191 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.909 -9.609 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.233 -9.567 -0.005 1.00 0.00 H new ATOM 1058 N LEU A 74 -10.977 -14.664 1.553 1.00 0.00 N ATOM 1059 CA LEU A 74 -9.966 -15.681 1.289 1.00 0.00 C ATOM 1060 C LEU A 74 -10.378 -17.046 1.854 1.00 0.00 C ATOM 1061 O LEU A 74 -9.938 -18.071 1.335 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.596 -15.249 1.845 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.971 -14.025 1.145 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.751 -13.543 1.942 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.539 -14.322 -0.296 1.00 0.00 C ATOM 0 H LEU A 74 -10.662 -13.920 2.176 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.880 -15.785 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.704 -15.027 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.905 -16.088 1.764 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.740 -13.254 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.311 -12.678 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.061 -13.265 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.013 -14.344 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.106 -13.425 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.797 -15.121 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.406 -14.632 -0.879 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.201 -17.109 2.906 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.749 -18.360 3.438 1.00 0.00 C ATOM 1079 C LYS A 75 -12.789 -18.929 2.487 1.00 0.00 C ATOM 1080 O LYS A 75 -12.762 -20.140 2.245 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.353 -18.143 4.832 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.263 -18.149 5.912 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.610 -17.294 7.129 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.880 -17.722 7.863 1.00 0.00 C ATOM 1085 NZ LYS A 75 -13.163 -16.800 8.980 1.00 0.00 N ATOM 0 H LYS A 75 -11.509 -16.282 3.418 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.934 -19.078 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.888 -17.194 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.082 -18.926 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.089 -19.175 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.330 -17.789 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.774 -17.323 7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.722 -16.258 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.722 -17.734 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.764 -18.738 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.888 -17.216 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.293 -16.639 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.508 -15.894 8.603 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.651 -18.092 1.913 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.680 -18.565 0.993 1.00 0.00 C ATOM 1101 C ASP A 76 -14.069 -19.096 -0.304 1.00 0.00 C ATOM 1102 O ASP A 76 -14.629 -20.023 -0.887 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.737 -17.496 0.697 1.00 0.00 C ATOM 1104 CG ASP A 76 -17.013 -18.192 0.224 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.750 -18.699 1.103 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.238 -18.328 -1.000 1.00 0.00 O ATOM 0 H ASP A 76 -13.656 -17.084 2.069 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.187 -19.389 1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.937 -16.904 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.376 -16.808 -0.067 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.890 -18.597 -0.708 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.159 -19.105 -1.868 1.00 0.00 C ATOM 1113 C CYS A 77 -12.034 -20.639 -1.805 1.00 0.00 C ATOM 1114 O CYS A 77 -11.546 -21.172 -0.798 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.754 -18.518 -1.935 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.770 -16.729 -2.193 1.00 0.00 S ATOM 0 H CYS A 77 -12.419 -17.826 -0.234 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.722 -18.810 -2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.223 -18.745 -1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.202 -18.995 -2.745 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.487 -16.164 -1.268 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.433 -21.349 -2.869 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.312 -22.788 -2.972 1.00 0.00 C ATOM 1124 C PRO A 78 -10.858 -23.215 -2.870 1.00 0.00 C ATOM 1125 O PRO A 78 -9.957 -22.684 -3.523 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.945 -23.208 -4.299 1.00 0.00 C ATOM 1127 CG PRO A 78 -13.599 -21.940 -4.842 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.978 -20.789 -4.081 1.00 0.00 C ATOM 0 HA PRO A 78 -12.830 -23.282 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.195 -23.593 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.680 -24.000 -4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.424 -21.839 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.679 -21.966 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.198 -20.309 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.723 -20.026 -3.856 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.654 -24.222 -2.037 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.420 -24.977 -1.984 1.00 0.00 C ATOM 1138 C ILE A 79 -9.283 -25.678 -3.338 1.00 0.00 C ATOM 1139 O ILE A 79 -10.209 -26.372 -3.765 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.494 -25.968 -0.809 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.547 -25.261 0.563 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.294 -26.931 -0.847 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -8.220 -24.635 0.985 1.00 0.00 C ATOM 0 H ILE A 79 -11.355 -24.541 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.544 -24.350 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.423 -26.526 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.311 -24.484 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.856 -25.981 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.359 -27.626 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.304 -27.488 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.368 -26.361 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.336 -24.157 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.456 -25.410 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.919 -23.890 0.249 1.00 0.00 H new ATOM 1155 N GLY A 80 -8.133 -25.507 -3.986 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.833 -26.079 -5.292 1.00 0.00 C ATOM 1157 C GLY A 80 -8.461 -25.285 -6.428 1.00 0.00 C ATOM 1158 O GLY A 80 -8.552 -25.795 -7.545 1.00 0.00 O ATOM 0 H GLY A 80 -7.366 -24.952 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.752 -26.115 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.194 -27.107 -5.327 1.00 0.00 H new ATOM 1162 N SER A 81 -8.862 -24.042 -6.168 1.00 0.00 N ATOM 1163 CA SER A 81 -9.067 -23.061 -7.206 1.00 0.00 C ATOM 1164 C SER A 81 -8.061 -21.939 -7.025 1.00 0.00 C ATOM 1165 O SER A 81 -7.459 -21.731 -5.965 1.00 0.00 O ATOM 1166 CB SER A 81 -10.511 -22.556 -7.193 1.00 0.00 C ATOM 1167 OG SER A 81 -11.355 -23.560 -7.719 1.00 0.00 O ATOM 0 H SER A 81 -9.051 -23.696 -5.227 1.00 0.00 H new ATOM 0 HA SER A 81 -8.906 -23.511 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.813 -22.305 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.596 -21.645 -7.785 1.00 0.00 H new ATOM 0 HG SER A 81 -12.283 -23.244 -7.712 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.872 -21.235 -8.127 1.00 0.00 N ATOM 1174 CA GLU A 82 -7.177 -19.981 -8.217 1.00 0.00 C ATOM 1175 C GLU A 82 -7.936 -18.911 -7.441 1.00 0.00 C ATOM 1176 O GLU A 82 -9.149 -19.000 -7.240 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.968 -19.669 -9.704 1.00 0.00 C ATOM 1178 CG GLU A 82 -6.627 -18.218 -10.013 1.00 0.00 C ATOM 1179 CD GLU A 82 -7.807 -17.246 -10.148 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -8.978 -17.687 -10.215 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -7.564 -16.020 -10.122 1.00 0.00 O ATOM 0 H GLU A 82 -8.224 -21.550 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.191 -20.019 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.168 -20.304 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.874 -19.938 -10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.970 -17.848 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.057 -18.193 -10.942 1.00 0.00 H new ATOM 1188 N THR A 83 -7.199 -17.913 -6.983 1.00 0.00 N ATOM 1189 CA THR A 83 -7.669 -16.649 -6.489 1.00 0.00 C ATOM 1190 C THR A 83 -6.747 -15.554 -7.044 1.00 0.00 C ATOM 1191 O THR A 83 -5.555 -15.787 -7.278 1.00 0.00 O ATOM 1192 CB THR A 83 -7.682 -16.768 -4.956 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.512 -17.846 -4.565 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.179 -15.508 -4.258 1.00 0.00 C ATOM 0 H THR A 83 -6.182 -17.980 -6.948 1.00 0.00 H new ATOM 0 HA THR A 83 -8.676 -16.381 -6.808 1.00 0.00 H new ATOM 0 HB THR A 83 -6.647 -16.931 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.174 -17.530 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.163 -15.660 -3.179 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.532 -14.670 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.198 -15.292 -4.579 1.00 0.00 H new ATOM 1202 N SER A 84 -7.318 -14.369 -7.254 1.00 0.00 N ATOM 1203 CA SER A 84 -6.770 -13.237 -7.980 1.00 0.00 C ATOM 1204 C SER A 84 -6.496 -12.165 -6.937 1.00 0.00 C ATOM 1205 O SER A 84 -7.416 -11.863 -6.174 1.00 0.00 O ATOM 1206 CB SER A 84 -7.840 -12.733 -8.971 1.00 0.00 C ATOM 1207 OG SER A 84 -8.707 -13.769 -9.425 1.00 0.00 O ATOM 0 H SER A 84 -8.249 -14.165 -6.890 1.00 0.00 H new ATOM 0 HA SER A 84 -5.866 -13.493 -8.532 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.433 -11.954 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.347 -12.277 -9.829 1.00 0.00 H new ATOM 0 HG SER A 84 -8.173 -14.511 -9.778 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.283 -11.619 -6.845 1.00 0.00 N ATOM 1214 CA LEU A 85 -4.947 -10.619 -5.836 1.00 0.00 C ATOM 1215 C LEU A 85 -4.312 -9.412 -6.519 1.00 0.00 C ATOM 1216 O LEU A 85 -3.241 -9.525 -7.117 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.018 -11.193 -4.746 1.00 0.00 C ATOM 1218 CG LEU A 85 -4.776 -11.676 -3.493 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.476 -13.022 -3.695 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -3.811 -11.805 -2.309 1.00 0.00 C ATOM 0 H LEU A 85 -4.510 -11.858 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.863 -10.310 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.451 -12.025 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.296 -10.430 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.542 -10.926 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.991 -13.306 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.200 -12.938 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.737 -13.783 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.357 -12.147 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.030 -12.525 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.359 -10.835 -2.101 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.982 -8.261 -6.446 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.495 -6.994 -6.983 1.00 0.00 C ATOM 1234 C ILE A 86 -3.865 -6.212 -5.835 1.00 0.00 C ATOM 1235 O ILE A 86 -4.528 -6.006 -4.808 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.622 -6.203 -7.673 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.366 -7.140 -8.646 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -5.052 -4.972 -8.388 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -7.205 -6.475 -9.737 1.00 0.00 C ATOM 0 H ILE A 86 -5.897 -8.184 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.747 -7.176 -7.754 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.332 -5.839 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.630 -7.783 -9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.020 -7.787 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.861 -4.424 -8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.558 -4.326 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.330 -5.290 -9.140 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.675 -7.242 -10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.975 -5.856 -9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.564 -5.852 -10.360 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.608 -5.785 -5.986 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.844 -5.108 -4.942 1.00 0.00 C ATOM 1253 C ILE A 87 -1.198 -3.810 -5.463 1.00 0.00 C ATOM 1254 O ILE A 87 -0.938 -3.664 -6.663 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.852 -6.090 -4.260 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.330 -6.534 -5.147 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.573 -7.353 -3.750 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.522 -5.573 -5.114 1.00 0.00 C ATOM 0 H ILE A 87 -2.086 -5.904 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.527 -4.784 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.439 -5.514 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.662 -7.521 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.017 -6.633 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.850 -8.019 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.334 -7.069 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.046 -7.865 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.313 -5.952 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.207 -4.590 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.896 -5.492 -4.093 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.929 -2.870 -4.547 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.508 -1.494 -4.796 1.00 0.00 C ATOM 1272 C HIS A 88 0.965 -1.325 -4.403 1.00 0.00 C ATOM 1273 O HIS A 88 1.304 -0.713 -3.390 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.464 -0.529 -4.050 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.864 0.757 -4.733 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.631 1.738 -4.140 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.517 1.206 -5.981 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.730 2.761 -4.999 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.045 2.496 -6.121 1.00 0.00 N ATOM 0 H HIS A 88 -1.006 -3.068 -3.549 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.572 -1.250 -5.856 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.376 -1.079 -3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.998 -0.269 -3.100 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.049 1.692 -3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.943 0.666 -6.719 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.283 3.670 -4.814 1.00 0.00 H new ATOM 1287 N ARG A 89 1.856 -1.850 -5.235 1.00 0.00 N ATOM 1288 CA ARG A 89 3.298 -1.668 -5.174 1.00 0.00 C ATOM 1289 C ARG A 89 3.652 -0.765 -6.354 1.00 0.00 C ATOM 1290 O ARG A 89 4.238 -1.204 -7.347 1.00 0.00 O ATOM 1291 CB ARG A 89 3.948 -3.056 -5.229 1.00 0.00 C ATOM 1292 CG ARG A 89 5.461 -3.065 -5.061 1.00 0.00 C ATOM 1293 CD ARG A 89 5.923 -4.428 -5.581 1.00 0.00 C ATOM 1294 NE ARG A 89 7.326 -4.663 -5.270 1.00 0.00 N ATOM 1295 CZ ARG A 89 8.138 -5.529 -5.890 1.00 0.00 C ATOM 1296 NH1 ARG A 89 7.705 -6.241 -6.922 1.00 0.00 N ATOM 1297 NH2 ARG A 89 9.383 -5.698 -5.475 1.00 0.00 N ATOM 0 H ARG A 89 1.575 -2.447 -6.013 1.00 0.00 H new ATOM 0 HA ARG A 89 3.659 -1.196 -4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.507 -3.678 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.701 -3.519 -6.184 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.923 -2.254 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.741 -2.928 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.313 -5.215 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.774 -4.478 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 89 7.728 -4.117 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.746 -6.132 -7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.332 -6.898 -7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.731 -5.167 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.995 -6.360 -5.953 1.00 0.00 H new ATOM 1311 N GLY A 90 3.238 0.494 -6.293 1.00 0.00 N ATOM 1312 CA GLY A 90 3.313 1.435 -7.399 1.00 0.00 C ATOM 1313 C GLY A 90 3.183 2.829 -6.823 1.00 0.00 C ATOM 1314 O GLY A 90 2.069 3.285 -6.569 1.00 0.00 O ATOM 0 H GLY A 90 2.830 0.898 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.259 1.327 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.518 1.243 -8.120 1.00 0.00 H new ATOM 1318 N SER A 91 4.312 3.454 -6.506 1.00 0.00 N ATOM 1319 CA SER A 91 4.391 4.653 -5.696 1.00 0.00 C ATOM 1320 C SER A 91 5.473 5.573 -6.281 1.00 0.00 C ATOM 1321 O SER A 91 5.792 5.508 -7.476 1.00 0.00 O ATOM 1322 CB SER A 91 4.634 4.195 -4.250 1.00 0.00 C ATOM 1323 OG SER A 91 4.487 5.246 -3.314 1.00 0.00 O ATOM 0 H SER A 91 5.225 3.124 -6.819 1.00 0.00 H new ATOM 0 HA SER A 91 3.478 5.248 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.936 3.394 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.638 3.779 -4.169 1.00 0.00 H new ATOM 0 HG SER A 91 4.650 4.904 -2.410 1.00 0.00 H new ATOM 1329 N GLY A 92 5.974 6.518 -5.493 1.00 0.00 N ATOM 1330 CA GLY A 92 6.867 7.557 -5.965 1.00 0.00 C ATOM 1331 C GLY A 92 7.633 8.206 -4.819 1.00 0.00 C ATOM 1332 O GLY A 92 7.732 7.609 -3.739 1.00 0.00 O ATOM 0 H GLY A 92 5.765 6.580 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.572 7.133 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.293 8.317 -6.495 1.00 0.00 H new ATOM 1336 N PRO A 93 8.216 9.392 -5.078 1.00 0.00 N ATOM 1337 CA PRO A 93 8.936 10.179 -4.088 1.00 0.00 C ATOM 1338 C PRO A 93 8.139 10.414 -2.802 1.00 0.00 C ATOM 1339 O PRO A 93 6.920 10.218 -2.734 1.00 0.00 O ATOM 1340 CB PRO A 93 9.265 11.513 -4.770 1.00 0.00 C ATOM 1341 CG PRO A 93 9.255 11.180 -6.259 1.00 0.00 C ATOM 1342 CD PRO A 93 8.204 10.082 -6.362 1.00 0.00 C ATOM 0 HA PRO A 93 9.829 9.641 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 93 8.527 12.278 -4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.236 11.894 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.992 12.048 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.231 10.837 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.220 10.502 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.436 9.395 -7.176 1.00 0.00 H new ATOM 1350 N SER A 94 8.841 10.888 -1.777 1.00 0.00 N ATOM 1351 CA SER A 94 8.250 11.158 -0.485 1.00 0.00 C ATOM 1352 C SER A 94 9.030 12.267 0.214 1.00 0.00 C ATOM 1353 O SER A 94 10.253 12.342 0.069 1.00 0.00 O ATOM 1354 CB SER A 94 8.224 9.847 0.318 1.00 0.00 C ATOM 1355 OG SER A 94 9.444 9.124 0.236 1.00 0.00 O ATOM 0 H SER A 94 9.839 11.094 -1.827 1.00 0.00 H new ATOM 0 HA SER A 94 7.224 11.513 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.010 10.071 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.411 9.220 -0.047 1.00 0.00 H new ATOM 0 HG SER A 94 9.373 8.302 0.765 1.00 0.00 H new ATOM 1361 N SER A 95 8.342 13.078 1.016 1.00 0.00 N ATOM 1362 CA SER A 95 8.895 14.169 1.805 1.00 0.00 C ATOM 1363 C SER A 95 8.085 14.248 3.104 1.00 0.00 C ATOM 1364 O SER A 95 7.033 14.891 3.153 1.00 0.00 O ATOM 1365 CB SER A 95 8.844 15.473 0.991 1.00 0.00 C ATOM 1366 OG SER A 95 9.679 15.381 -0.156 1.00 0.00 O ATOM 0 H SER A 95 7.334 12.984 1.137 1.00 0.00 H new ATOM 0 HA SER A 95 9.943 14.002 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.818 15.677 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.163 16.309 1.613 1.00 0.00 H new ATOM 0 HG SER A 95 9.633 16.219 -0.662 1.00 0.00 H new ATOM 1372 N GLY A 96 8.542 13.563 4.151 1.00 0.00 N ATOM 1373 CA GLY A 96 7.878 13.491 5.447 1.00 0.00 C ATOM 1374 C GLY A 96 8.657 12.565 6.354 1.00 0.00 C ATOM 1375 O GLY A 96 8.076 12.071 7.343 1.00 0.00 O ATOM 0 H GLY A 96 9.410 13.028 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.812 14.484 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.857 13.128 5.326 1.00 0.00 H new TER 1379 GLY A 96