USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 64 LYS NZ :NH3+ -161:sc= -2.3 (180deg=-1.34!) USER MOD Set 1.2: A 81 ASN :FLIP amide:sc= -7.29! C(o=-12!,f=-9.6!) USER MOD Set 2.1: A 38 ASN :FLIP amide:sc= -0.62 F(o=-6.2!,f=-0.17) USER MOD Set 2.2: A 72 ASN :FLIP amide:sc= 0.452 F(o=-2,f=-0.17) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 GLN : amide:sc= -4.58! C(o=-4.6!,f=-6.3!) USER MOD Single : A 1 SER N :NH3+ -143:sc= 0 (180deg=-0.635) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0796 F(o=-0.62,f=-0.08) USER MOD Single : A 11 TYR OH : rot -169:sc= 0.807 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 THR OG1 : rot 128:sc= 1.22 USER MOD Single : A 22 GLN : amide:sc= -2.65! C(o=-2.7!,f=-2.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.03 F(o=-7.7!,f=-1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -46:sc= 0.451 USER MOD Single : A 69 ASN : amide:sc= -0.0721 K(o=-0.072,f=-2.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.496 K(o=-0.5,f=-2.7!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0784 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -32.021 -12.860 4.660 1.00 0.00 N ATOM 2 CA SER A 1 -32.740 -11.560 4.706 1.00 0.00 C ATOM 3 C SER A 1 -32.070 -10.535 3.792 1.00 0.00 C ATOM 4 O SER A 1 -31.360 -9.645 4.261 1.00 0.00 O ATOM 5 CB SER A 1 -32.782 -11.032 6.142 1.00 0.00 C ATOM 6 OG SER A 1 -33.433 -11.949 7.005 1.00 0.00 O ATOM 0 H1 SER A 1 -32.708 -13.639 4.713 1.00 0.00 H new ATOM 0 H2 SER A 1 -31.486 -12.930 3.771 1.00 0.00 H new ATOM 0 H3 SER A 1 -31.365 -12.922 5.464 1.00 0.00 H new ATOM 0 HA SER A 1 -33.759 -11.721 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 1 -31.767 -10.852 6.496 1.00 0.00 H new ATOM 0 HB3 SER A 1 -33.302 -10.074 6.165 1.00 0.00 H new ATOM 0 HG SER A 1 -33.445 -11.589 7.916 1.00 0.00 H new ATOM 14 N PRO A 2 -32.288 -10.650 2.469 1.00 0.00 N ATOM 15 CA PRO A 2 -31.705 -9.732 1.490 1.00 0.00 C ATOM 16 C PRO A 2 -32.476 -8.422 1.384 1.00 0.00 C ATOM 17 O PRO A 2 -33.081 -8.128 0.352 1.00 0.00 O ATOM 18 CB PRO A 2 -31.804 -10.519 0.186 1.00 0.00 C ATOM 19 CG PRO A 2 -33.024 -11.359 0.352 1.00 0.00 C ATOM 20 CD PRO A 2 -33.116 -11.688 1.822 1.00 0.00 C ATOM 0 HA PRO A 2 -30.691 -9.436 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -31.893 -9.854 -0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -30.918 -11.133 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -33.913 -10.824 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -32.955 -12.268 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -34.147 -11.655 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -32.739 -12.689 2.032 1.00 0.00 H new ATOM 28 N ALA A 3 -32.451 -7.634 2.456 1.00 0.00 N ATOM 29 CA ALA A 3 -33.133 -6.348 2.465 1.00 0.00 C ATOM 30 C ALA A 3 -32.467 -5.410 1.469 1.00 0.00 C ATOM 31 O ALA A 3 -32.974 -4.329 1.168 1.00 0.00 O ATOM 32 CB ALA A 3 -33.118 -5.744 3.861 1.00 0.00 C ATOM 0 H ALA A 3 -31.968 -7.864 3.324 1.00 0.00 H new ATOM 0 HA ALA A 3 -34.173 -6.496 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -33.632 -4.783 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -33.624 -6.417 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -32.087 -5.599 4.184 1.00 0.00 H new ATOM 38 N ALA A 4 -31.318 -5.848 0.965 1.00 0.00 N ATOM 39 CA ALA A 4 -30.553 -5.086 -0.008 1.00 0.00 C ATOM 40 C ALA A 4 -30.861 -5.570 -1.420 1.00 0.00 C ATOM 41 O ALA A 4 -30.057 -5.402 -2.337 1.00 0.00 O ATOM 42 CB ALA A 4 -29.068 -5.223 0.288 1.00 0.00 C ATOM 0 H ALA A 4 -30.894 -6.740 1.221 1.00 0.00 H new ATOM 0 HA ALA A 4 -30.833 -4.035 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -28.497 -4.651 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -28.860 -4.844 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.781 -6.273 0.231 1.00 0.00 H new ATOM 48 N MET A 5 -32.035 -6.177 -1.579 1.00 0.00 N ATOM 49 CA MET A 5 -32.468 -6.700 -2.871 1.00 0.00 C ATOM 50 C MET A 5 -32.357 -5.640 -3.962 1.00 0.00 C ATOM 51 O MET A 5 -31.700 -5.849 -4.982 1.00 0.00 O ATOM 52 CB MET A 5 -33.912 -7.199 -2.777 1.00 0.00 C ATOM 53 CG MET A 5 -34.463 -7.719 -4.094 1.00 0.00 C ATOM 54 SD MET A 5 -36.171 -8.285 -3.958 1.00 0.00 S ATOM 55 CE MET A 5 -36.521 -8.713 -5.660 1.00 0.00 C ATOM 0 H MET A 5 -32.706 -6.319 -0.824 1.00 0.00 H new ATOM 0 HA MET A 5 -31.813 -7.530 -3.135 1.00 0.00 H new ATOM 0 HB2 MET A 5 -33.965 -7.993 -2.032 1.00 0.00 H new ATOM 0 HB3 MET A 5 -34.546 -6.386 -2.423 1.00 0.00 H new ATOM 0 HG2 MET A 5 -34.404 -6.931 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A 5 -33.839 -8.541 -4.445 1.00 0.00 H new ATOM 0 HE1 MET A 5 -37.544 -9.081 -5.740 1.00 0.00 H new ATOM 0 HE2 MET A 5 -36.403 -7.831 -6.289 1.00 0.00 H new ATOM 0 HE3 MET A 5 -35.830 -9.489 -5.990 1.00 0.00 H new ATOM 65 N GLU A 6 -33.007 -4.501 -3.739 1.00 0.00 N ATOM 66 CA GLU A 6 -32.990 -3.407 -4.703 1.00 0.00 C ATOM 67 C GLU A 6 -32.173 -2.230 -4.181 1.00 0.00 C ATOM 68 O GLU A 6 -32.044 -1.206 -4.853 1.00 0.00 O ATOM 69 CB GLU A 6 -34.418 -2.955 -5.010 1.00 0.00 C ATOM 70 CG GLU A 6 -35.293 -4.055 -5.593 1.00 0.00 C ATOM 71 CD GLU A 6 -34.755 -4.592 -6.905 1.00 0.00 C ATOM 72 OE1 GLU A 6 -35.062 -3.997 -7.959 1.00 0.00 O ATOM 73 OE2 GLU A 6 -34.029 -5.608 -6.879 1.00 0.00 O ATOM 0 H GLU A 6 -33.552 -4.312 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 6 -32.522 -3.769 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -34.878 -2.584 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -34.383 -2.120 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -35.371 -4.871 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -36.301 -3.669 -5.748 1.00 0.00 H new ATOM 80 N ARG A 7 -31.625 -2.382 -2.981 1.00 0.00 N ATOM 81 CA ARG A 7 -30.819 -1.326 -2.369 1.00 0.00 C ATOM 82 C ARG A 7 -29.348 -1.730 -2.311 1.00 0.00 C ATOM 83 O ARG A 7 -29.026 -2.907 -2.149 1.00 0.00 O ATOM 84 CB ARG A 7 -31.329 -1.004 -0.960 1.00 0.00 C ATOM 85 CG ARG A 7 -32.813 -0.676 -0.915 1.00 0.00 C ATOM 86 CD ARG A 7 -33.277 -0.384 0.503 1.00 0.00 C ATOM 87 NE ARG A 7 -34.723 -0.194 0.576 1.00 0.00 N ATOM 88 CZ ARG A 7 -35.401 -0.115 1.718 1.00 0.00 C ATOM 89 NH1 ARG A 7 -34.766 -0.201 2.879 1.00 0.00 N ATOM 90 NH2 ARG A 7 -36.717 0.053 1.699 1.00 0.00 N ATOM 0 H ARG A 7 -31.722 -3.223 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.911 -0.434 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.133 -1.855 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.766 -0.160 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -33.015 0.187 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.384 -1.511 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -32.986 -1.206 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -32.775 0.510 0.872 1.00 0.00 H new ATOM 0 HE ARG A 7 -35.243 -0.117 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.754 -0.328 2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.289 -0.140 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -37.210 0.122 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -37.236 0.113 2.575 1.00 0.00 H new ATOM 104 N GLN A 8 -28.464 -0.747 -2.442 1.00 0.00 N ATOM 105 CA GLN A 8 -27.024 -1.003 -2.408 1.00 0.00 C ATOM 106 C GLN A 8 -26.379 -0.347 -1.189 1.00 0.00 C ATOM 107 O GLN A 8 -26.704 0.788 -0.838 1.00 0.00 O ATOM 108 CB GLN A 8 -26.358 -0.490 -3.688 1.00 0.00 C ATOM 109 CG GLN A 8 -26.886 -1.146 -4.953 1.00 0.00 C ATOM 110 CD GLN A 8 -26.616 -2.637 -4.994 1.00 0.00 C ATOM 111 OE1 GLN A 8 -27.559 -3.424 -4.490 1.00 0.00 O flip ATOM 112 NE2 GLN A 8 -25.572 -3.077 -5.477 1.00 0.00 N flip ATOM 0 H GLN A 8 -28.716 0.233 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 8 -26.878 -2.081 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -26.507 0.588 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -25.283 -0.660 -3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.960 -0.973 -5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -26.427 -0.674 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -24.874 -2.435 -5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -25.405 -4.083 -5.501 1.00 0.00 H new ATOM 121 N VAL A 9 -25.465 -1.070 -0.549 1.00 0.00 N ATOM 122 CA VAL A 9 -24.771 -0.563 0.629 1.00 0.00 C ATOM 123 C VAL A 9 -23.380 -0.042 0.262 1.00 0.00 C ATOM 124 O VAL A 9 -22.494 -0.823 -0.084 1.00 0.00 O ATOM 125 CB VAL A 9 -24.627 -1.659 1.708 1.00 0.00 C ATOM 126 CG1 VAL A 9 -24.031 -1.087 2.987 1.00 0.00 C ATOM 127 CG2 VAL A 9 -25.968 -2.319 1.984 1.00 0.00 C ATOM 0 H VAL A 9 -25.188 -2.011 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.372 0.255 1.027 1.00 0.00 H new ATOM 0 HB VAL A 9 -23.944 -2.420 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.940 -1.878 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -23.045 -0.672 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.681 -0.301 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.845 -3.088 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.677 -1.569 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.345 -2.774 1.068 1.00 0.00 H new ATOM 137 N PRO A 10 -23.166 1.289 0.328 1.00 0.00 N ATOM 138 CA PRO A 10 -21.870 1.895 -0.005 1.00 0.00 C ATOM 139 C PRO A 10 -20.754 1.431 0.927 1.00 0.00 C ATOM 140 O PRO A 10 -20.982 1.185 2.111 1.00 0.00 O ATOM 141 CB PRO A 10 -22.116 3.399 0.161 1.00 0.00 C ATOM 142 CG PRO A 10 -23.311 3.502 1.043 1.00 0.00 C ATOM 143 CD PRO A 10 -24.158 2.303 0.728 1.00 0.00 C ATOM 0 HA PRO A 10 -21.540 1.615 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.253 3.893 0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.294 3.878 -0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -23.022 3.511 2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.857 4.426 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.738 1.981 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.868 2.510 -0.073 1.00 0.00 H new ATOM 151 N TYR A 11 -19.547 1.314 0.381 1.00 0.00 N ATOM 152 CA TYR A 11 -18.392 0.878 1.159 1.00 0.00 C ATOM 153 C TYR A 11 -17.159 1.716 0.828 1.00 0.00 C ATOM 154 O TYR A 11 -16.660 1.687 -0.297 1.00 0.00 O ATOM 155 CB TYR A 11 -18.101 -0.606 0.889 1.00 0.00 C ATOM 156 CG TYR A 11 -16.731 -1.052 1.356 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.471 -1.276 2.704 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.695 -1.243 0.447 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.216 -1.677 3.131 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.441 -1.645 0.868 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.208 -1.859 2.210 1.00 0.00 C ATOM 162 OH TYR A 11 -12.961 -2.258 2.634 1.00 0.00 O ATOM 0 H TYR A 11 -19.343 1.515 -0.598 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.626 1.013 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.859 -1.212 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.190 -0.796 -0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.260 -1.135 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.873 -1.074 -0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.029 -1.846 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.648 -1.791 0.149 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.322 -2.173 1.896 1.00 0.00 H new ATOM 172 N THR A 12 -16.673 2.461 1.817 1.00 0.00 N ATOM 173 CA THR A 12 -15.492 3.296 1.637 1.00 0.00 C ATOM 174 C THR A 12 -14.304 2.743 2.419 1.00 0.00 C ATOM 175 O THR A 12 -14.375 2.607 3.641 1.00 0.00 O ATOM 176 CB THR A 12 -15.741 4.746 2.100 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.598 5.418 1.169 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.425 5.504 2.234 1.00 0.00 C ATOM 0 H THR A 12 -17.080 2.503 2.751 1.00 0.00 H new ATOM 0 HA THR A 12 -15.272 3.290 0.570 1.00 0.00 H new ATOM 0 HB THR A 12 -16.224 4.716 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.752 6.337 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.625 6.524 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.791 5.005 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.918 5.525 1.270 1.00 0.00 H new ATOM 186 N PRO A 13 -13.191 2.414 1.736 1.00 0.00 N ATOM 187 CA PRO A 13 -12.006 1.902 2.383 1.00 0.00 C ATOM 188 C PRO A 13 -10.983 2.999 2.649 1.00 0.00 C ATOM 189 O PRO A 13 -10.330 3.496 1.731 1.00 0.00 O ATOM 190 CB PRO A 13 -11.480 0.913 1.350 1.00 0.00 C ATOM 191 CG PRO A 13 -11.914 1.461 0.022 1.00 0.00 C ATOM 192 CD PRO A 13 -12.995 2.490 0.285 1.00 0.00 C ATOM 0 HA PRO A 13 -12.208 1.465 3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.395 0.827 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.888 -0.084 1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.071 1.915 -0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.292 0.663 -0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.685 3.487 -0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.912 2.257 -0.257 1.00 0.00 H new ATOM 200 N CYS A 14 -10.864 3.366 3.916 1.00 0.00 N ATOM 201 CA CYS A 14 -9.923 4.393 4.351 1.00 0.00 C ATOM 202 C CYS A 14 -10.288 5.761 3.796 1.00 0.00 C ATOM 203 O CYS A 14 -10.927 5.875 2.750 1.00 0.00 O ATOM 204 CB CYS A 14 -8.488 4.023 3.965 1.00 0.00 C ATOM 205 SG CYS A 14 -7.565 5.327 3.091 1.00 0.00 S ATOM 0 H CYS A 14 -11.416 2.962 4.673 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.985 4.447 5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.942 3.756 4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.515 3.134 3.335 1.00 0.00 H new ATOM 210 N SER A 15 -9.866 6.794 4.512 1.00 0.00 N ATOM 211 CA SER A 15 -10.152 8.170 4.116 1.00 0.00 C ATOM 212 C SER A 15 -9.380 9.166 4.976 1.00 0.00 C ATOM 213 O SER A 15 -8.927 8.836 6.072 1.00 0.00 O ATOM 214 CB SER A 15 -11.653 8.451 4.218 1.00 0.00 C ATOM 215 OG SER A 15 -12.118 8.273 5.545 1.00 0.00 O ATOM 0 H SER A 15 -9.324 6.707 5.371 1.00 0.00 H new ATOM 0 HA SER A 15 -9.832 8.292 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.858 9.471 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.197 7.786 3.547 1.00 0.00 H new ATOM 0 HG SER A 15 -13.079 8.460 5.583 1.00 0.00 H new ATOM 221 N GLY A 16 -9.240 10.389 4.469 1.00 0.00 N ATOM 222 CA GLY A 16 -8.535 11.426 5.200 1.00 0.00 C ATOM 223 C GLY A 16 -7.036 11.208 5.243 1.00 0.00 C ATOM 224 O GLY A 16 -6.286 11.874 4.530 1.00 0.00 O ATOM 0 H GLY A 16 -9.604 10.680 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.743 12.392 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.919 11.469 6.219 1.00 0.00 H new ATOM 228 N LEU A 17 -6.600 10.276 6.086 1.00 0.00 N ATOM 229 CA LEU A 17 -5.181 9.974 6.231 1.00 0.00 C ATOM 230 C LEU A 17 -4.545 9.645 4.883 1.00 0.00 C ATOM 231 O LEU A 17 -3.471 10.150 4.554 1.00 0.00 O ATOM 232 CB LEU A 17 -4.985 8.802 7.201 1.00 0.00 C ATOM 233 CG LEU A 17 -5.655 8.970 8.567 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.461 7.721 9.411 1.00 0.00 C ATOM 235 CD2 LEU A 17 -5.105 10.192 9.289 1.00 0.00 C ATOM 0 H LEU A 17 -7.212 9.716 6.680 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.689 10.860 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.370 7.896 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.916 8.652 7.354 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.723 9.118 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.943 7.857 10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.904 6.865 8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.396 7.543 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.594 10.293 10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.031 10.075 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.295 11.084 8.692 1.00 0.00 H new ATOM 247 N TYR A 18 -5.214 8.798 4.107 1.00 0.00 N ATOM 248 CA TYR A 18 -4.704 8.403 2.797 1.00 0.00 C ATOM 249 C TYR A 18 -5.781 8.564 1.731 1.00 0.00 C ATOM 250 O TYR A 18 -5.518 9.029 0.621 1.00 0.00 O ATOM 251 CB TYR A 18 -4.219 6.952 2.856 1.00 0.00 C ATOM 252 CG TYR A 18 -3.365 6.663 4.074 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.064 7.150 4.178 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.867 5.909 5.129 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.293 6.888 5.294 1.00 0.00 C ATOM 256 CE2 TYR A 18 -3.100 5.646 6.248 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.815 6.137 6.324 1.00 0.00 C ATOM 258 OH TYR A 18 -1.049 5.876 7.437 1.00 0.00 O ATOM 0 H TYR A 18 -6.106 8.373 4.360 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.868 9.049 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.082 6.286 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.646 6.729 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.652 7.741 3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.874 5.522 5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.285 7.270 5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.506 5.059 7.059 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.624 5.550 8.161 1.00 0.00 H new ATOM 268 N GLY A 19 -6.993 8.173 2.090 1.00 0.00 N ATOM 269 CA GLY A 19 -8.134 8.298 1.200 1.00 0.00 C ATOM 270 C GLY A 19 -8.008 7.557 -0.121 1.00 0.00 C ATOM 271 O GLY A 19 -8.894 7.671 -0.968 1.00 0.00 O ATOM 0 H GLY A 19 -7.212 7.764 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.021 7.935 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.298 9.355 0.991 1.00 0.00 H new ATOM 275 N THR A 20 -6.932 6.796 -0.320 1.00 0.00 N ATOM 276 CA THR A 20 -6.770 6.072 -1.579 1.00 0.00 C ATOM 277 C THR A 20 -6.432 4.597 -1.374 1.00 0.00 C ATOM 278 O THR A 20 -5.278 4.241 -1.135 1.00 0.00 O ATOM 279 CB THR A 20 -5.681 6.714 -2.459 1.00 0.00 C ATOM 280 OG1 THR A 20 -5.958 8.107 -2.642 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.605 6.026 -3.814 1.00 0.00 C ATOM 0 H THR A 20 -6.178 6.667 0.355 1.00 0.00 H new ATOM 0 HA THR A 20 -7.736 6.135 -2.080 1.00 0.00 H new ATOM 0 HB THR A 20 -4.722 6.597 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.167 8.632 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.829 6.496 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.366 4.972 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.565 6.116 -4.322 1.00 0.00 H new ATOM 289 N ALA A 21 -7.451 3.744 -1.471 1.00 0.00 N ATOM 290 CA ALA A 21 -7.261 2.302 -1.334 1.00 0.00 C ATOM 291 C ALA A 21 -6.542 1.743 -2.564 1.00 0.00 C ATOM 292 O ALA A 21 -6.735 2.243 -3.672 1.00 0.00 O ATOM 293 CB ALA A 21 -8.606 1.616 -1.144 1.00 0.00 C ATOM 0 H ALA A 21 -8.416 4.027 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.643 2.108 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.455 0.541 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.087 2.001 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.240 1.813 -2.008 1.00 0.00 H new ATOM 299 N GLN A 22 -5.718 0.706 -2.374 1.00 0.00 N ATOM 300 CA GLN A 22 -4.979 0.109 -3.491 1.00 0.00 C ATOM 301 C GLN A 22 -4.192 -1.117 -3.030 1.00 0.00 C ATOM 302 O GLN A 22 -4.159 -1.430 -1.844 1.00 0.00 O ATOM 303 CB GLN A 22 -4.036 1.141 -4.142 1.00 0.00 C ATOM 304 CG GLN A 22 -3.251 1.996 -3.154 1.00 0.00 C ATOM 305 CD GLN A 22 -2.263 2.923 -3.839 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.233 3.279 -3.268 1.00 0.00 O ATOM 307 NE2 GLN A 22 -2.575 3.323 -5.067 1.00 0.00 N ATOM 0 H GLN A 22 -5.548 0.268 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.705 -0.211 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.332 0.614 -4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.624 1.798 -4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.947 2.588 -2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.714 1.346 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.440 3.003 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.950 3.950 -5.574 1.00 0.00 H new ATOM 316 N CYS A 23 -3.560 -1.806 -3.977 1.00 0.00 N ATOM 317 CA CYS A 23 -2.785 -3.004 -3.660 1.00 0.00 C ATOM 318 C CYS A 23 -1.292 -2.687 -3.621 1.00 0.00 C ATOM 319 O CYS A 23 -0.718 -2.251 -4.619 1.00 0.00 O ATOM 320 CB CYS A 23 -3.052 -4.098 -4.699 1.00 0.00 C ATOM 321 SG CYS A 23 -4.819 -4.426 -5.006 1.00 0.00 S ATOM 0 H CYS A 23 -3.569 -1.557 -4.966 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.094 -3.358 -2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.579 -3.814 -5.639 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.575 -5.021 -4.368 1.00 0.00 H new ATOM 326 N CYS A 24 -0.665 -2.912 -2.466 1.00 0.00 N ATOM 327 CA CYS A 24 0.764 -2.631 -2.303 1.00 0.00 C ATOM 328 C CYS A 24 1.595 -3.902 -2.435 1.00 0.00 C ATOM 329 O CYS A 24 1.516 -4.799 -1.594 1.00 0.00 O ATOM 330 CB CYS A 24 1.041 -1.967 -0.948 1.00 0.00 C ATOM 331 SG CYS A 24 0.348 -0.289 -0.769 1.00 0.00 S ATOM 0 H CYS A 24 -1.120 -3.286 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 24 1.053 -1.944 -3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.635 -2.600 -0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.119 -1.919 -0.795 1.00 0.00 H new ATOM 336 N ALA A 25 2.392 -3.971 -3.498 1.00 0.00 N ATOM 337 CA ALA A 25 3.246 -5.125 -3.741 1.00 0.00 C ATOM 338 C ALA A 25 4.548 -5.006 -2.960 1.00 0.00 C ATOM 339 O ALA A 25 5.457 -4.275 -3.355 1.00 0.00 O ATOM 340 CB ALA A 25 3.525 -5.278 -5.231 1.00 0.00 C ATOM 0 H ALA A 25 2.463 -3.239 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 25 2.723 -6.017 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.165 -6.145 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.585 -5.415 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.026 -4.383 -5.601 1.00 0.00 H new ATOM 346 N THR A 26 4.631 -5.730 -1.848 1.00 0.00 N ATOM 347 CA THR A 26 5.817 -5.700 -1.002 1.00 0.00 C ATOM 348 C THR A 26 7.030 -6.269 -1.729 1.00 0.00 C ATOM 349 O THR A 26 6.894 -6.968 -2.735 1.00 0.00 O ATOM 350 CB THR A 26 5.606 -6.490 0.305 1.00 0.00 C ATOM 351 OG1 THR A 26 5.376 -7.873 0.010 1.00 0.00 O ATOM 352 CG2 THR A 26 4.431 -5.936 1.098 1.00 0.00 C ATOM 0 H THR A 26 3.890 -6.345 -1.512 1.00 0.00 H new ATOM 0 HA THR A 26 5.996 -4.653 -0.760 1.00 0.00 H new ATOM 0 HB THR A 26 6.508 -6.389 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.245 -8.368 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.306 -6.513 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.621 -4.893 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.523 -6.005 0.499 1.00 0.00 H new ATOM 360 N ASP A 27 8.214 -5.964 -1.211 1.00 0.00 N ATOM 361 CA ASP A 27 9.459 -6.442 -1.806 1.00 0.00 C ATOM 362 C ASP A 27 9.817 -7.829 -1.275 1.00 0.00 C ATOM 363 O ASP A 27 9.117 -8.372 -0.419 1.00 0.00 O ATOM 364 CB ASP A 27 10.593 -5.458 -1.515 1.00 0.00 C ATOM 365 CG ASP A 27 11.766 -5.632 -2.460 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.699 -5.107 -3.591 1.00 0.00 O ATOM 367 OD2 ASP A 27 12.750 -6.294 -2.071 1.00 0.00 O ATOM 0 H ASP A 27 8.339 -5.387 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 27 9.318 -6.514 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.215 -4.439 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.934 -5.594 -0.489 1.00 0.00 H new ATOM 372 N VAL A 28 10.908 -8.399 -1.782 1.00 0.00 N ATOM 373 CA VAL A 28 11.346 -9.724 -1.356 1.00 0.00 C ATOM 374 C VAL A 28 12.316 -9.635 -0.182 1.00 0.00 C ATOM 375 O VAL A 28 11.928 -9.826 0.971 1.00 0.00 O ATOM 376 CB VAL A 28 12.017 -10.494 -2.510 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.393 -11.901 -2.072 1.00 0.00 C ATOM 378 CG2 VAL A 28 11.104 -10.532 -3.726 1.00 0.00 C ATOM 0 H VAL A 28 11.503 -7.964 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 28 10.453 -10.265 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 28 12.933 -9.971 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.865 -12.427 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.088 -11.848 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.496 -12.439 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.593 -11.079 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.170 -11.029 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.893 -9.514 -4.055 1.00 0.00 H new ATOM 388 N LEU A 29 13.578 -9.341 -0.482 1.00 0.00 N ATOM 389 CA LEU A 29 14.602 -9.225 0.550 1.00 0.00 C ATOM 390 C LEU A 29 14.863 -7.763 0.876 1.00 0.00 C ATOM 391 O LEU A 29 15.173 -7.414 2.015 1.00 0.00 O ATOM 392 CB LEU A 29 15.899 -9.906 0.100 1.00 0.00 C ATOM 393 CG LEU A 29 17.049 -9.856 1.110 1.00 0.00 C ATOM 394 CD1 LEU A 29 16.722 -10.680 2.346 1.00 0.00 C ATOM 395 CD2 LEU A 29 18.336 -10.344 0.469 1.00 0.00 C ATOM 0 H LEU A 29 13.915 -9.179 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 29 14.241 -9.725 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.682 -10.950 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.232 -9.440 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 29 17.186 -8.820 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.554 -10.629 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.823 -10.285 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.554 -11.718 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.144 -10.303 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.206 -11.371 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.582 -9.709 -0.382 1.00 0.00 H new ATOM 407 N GLY A 30 14.736 -6.909 -0.135 1.00 0.00 N ATOM 408 CA GLY A 30 14.939 -5.489 0.068 1.00 0.00 C ATOM 409 C GLY A 30 13.713 -4.836 0.668 1.00 0.00 C ATOM 410 O GLY A 30 13.388 -3.692 0.348 1.00 0.00 O ATOM 0 H GLY A 30 14.496 -7.176 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.795 -5.333 0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.177 -5.014 -0.884 1.00 0.00 H new ATOM 414 N VAL A 31 13.030 -5.578 1.537 1.00 0.00 N ATOM 415 CA VAL A 31 11.824 -5.092 2.194 1.00 0.00 C ATOM 416 C VAL A 31 12.026 -3.701 2.777 1.00 0.00 C ATOM 417 O VAL A 31 12.921 -3.475 3.593 1.00 0.00 O ATOM 418 CB VAL A 31 11.362 -6.065 3.299 1.00 0.00 C ATOM 419 CG1 VAL A 31 10.487 -5.359 4.327 1.00 0.00 C ATOM 420 CG2 VAL A 31 10.616 -7.237 2.683 1.00 0.00 C ATOM 0 H VAL A 31 13.296 -6.526 1.803 1.00 0.00 H new ATOM 0 HA VAL A 31 11.047 -5.033 1.432 1.00 0.00 H new ATOM 0 HB VAL A 31 12.247 -6.438 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.178 -6.071 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.051 -4.550 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.605 -4.950 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.294 -7.918 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.744 -6.869 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.274 -7.765 1.993 1.00 0.00 H new ATOM 430 N ALA A 32 11.173 -2.780 2.350 1.00 0.00 N ATOM 431 CA ALA A 32 11.227 -1.396 2.804 1.00 0.00 C ATOM 432 C ALA A 32 10.091 -0.590 2.186 1.00 0.00 C ATOM 433 O ALA A 32 9.418 0.181 2.870 1.00 0.00 O ATOM 434 CB ALA A 32 12.570 -0.771 2.455 1.00 0.00 C ATOM 0 H ALA A 32 10.426 -2.970 1.681 1.00 0.00 H new ATOM 0 HA ALA A 32 11.113 -1.385 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.592 0.262 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.369 -1.333 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.712 -0.794 1.375 1.00 0.00 H new ATOM 440 N ASP A 33 9.883 -0.783 0.887 1.00 0.00 N ATOM 441 CA ASP A 33 8.827 -0.081 0.168 1.00 0.00 C ATOM 442 C ASP A 33 7.948 -1.068 -0.599 1.00 0.00 C ATOM 443 O ASP A 33 8.384 -2.173 -0.919 1.00 0.00 O ATOM 444 CB ASP A 33 9.431 0.940 -0.800 1.00 0.00 C ATOM 445 CG ASP A 33 10.289 1.971 -0.094 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.477 1.683 0.158 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.773 3.069 0.204 1.00 0.00 O ATOM 0 H ASP A 33 10.433 -1.420 0.311 1.00 0.00 H new ATOM 0 HA ASP A 33 8.209 0.443 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.033 0.419 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.629 1.446 -1.337 1.00 0.00 H new ATOM 452 N LEU A 34 6.711 -0.666 -0.892 1.00 0.00 N ATOM 453 CA LEU A 34 5.789 -1.532 -1.626 1.00 0.00 C ATOM 454 C LEU A 34 5.215 -0.799 -2.832 1.00 0.00 C ATOM 455 O LEU A 34 4.627 0.273 -2.690 1.00 0.00 O ATOM 456 CB LEU A 34 4.625 -2.017 -0.742 1.00 0.00 C ATOM 457 CG LEU A 34 4.765 -1.790 0.765 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.437 -2.062 1.471 1.00 0.00 C ATOM 459 CD2 LEU A 34 5.863 -2.683 1.330 1.00 0.00 C ATOM 0 H LEU A 34 6.328 0.244 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 34 6.363 -2.399 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.714 -1.522 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.489 -3.085 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 34 5.039 -0.749 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.554 -1.896 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.673 -1.390 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.136 -3.095 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.954 -2.513 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.612 -3.728 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.810 -2.447 0.844 1.00 0.00 H new ATOM 471 N ASP A 35 5.384 -1.374 -4.019 1.00 0.00 N ATOM 472 CA ASP A 35 4.856 -0.760 -5.229 1.00 0.00 C ATOM 473 C ASP A 35 3.335 -0.844 -5.224 1.00 0.00 C ATOM 474 O ASP A 35 2.761 -1.874 -5.578 1.00 0.00 O ATOM 475 CB ASP A 35 5.418 -1.460 -6.469 1.00 0.00 C ATOM 476 CG ASP A 35 6.925 -1.339 -6.568 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.630 -2.187 -5.982 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.402 -0.395 -7.233 1.00 0.00 O ATOM 0 H ASP A 35 5.877 -2.255 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 35 5.157 0.287 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.142 -2.514 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.963 -1.032 -7.362 1.00 0.00 H new ATOM 483 N CYS A 36 2.683 0.246 -4.827 1.00 0.00 N ATOM 484 CA CYS A 36 1.227 0.271 -4.764 1.00 0.00 C ATOM 485 C CYS A 36 0.620 0.932 -5.996 1.00 0.00 C ATOM 486 O CYS A 36 1.016 2.029 -6.389 1.00 0.00 O ATOM 487 CB CYS A 36 0.765 0.992 -3.495 1.00 0.00 C ATOM 488 SG CYS A 36 -0.521 0.100 -2.564 1.00 0.00 S ATOM 0 H CYS A 36 3.136 1.116 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 36 0.879 -0.762 -4.738 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.626 1.150 -2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.385 1.977 -3.767 1.00 0.00 H new ATOM 493 N ALA A 37 -0.348 0.246 -6.597 1.00 0.00 N ATOM 494 CA ALA A 37 -1.031 0.746 -7.783 1.00 0.00 C ATOM 495 C ALA A 37 -2.523 0.900 -7.516 1.00 0.00 C ATOM 496 O ALA A 37 -3.142 0.032 -6.899 1.00 0.00 O ATOM 497 CB ALA A 37 -0.797 -0.190 -8.958 1.00 0.00 C ATOM 0 H ALA A 37 -0.678 -0.665 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.623 1.726 -8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.313 0.195 -9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.271 -0.256 -9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.182 -1.181 -8.716 1.00 0.00 H new ATOM 503 N ASN A 38 -3.098 2.000 -7.987 1.00 0.00 N ATOM 504 CA ASN A 38 -4.521 2.258 -7.785 1.00 0.00 C ATOM 505 C ASN A 38 -5.359 1.477 -8.795 1.00 0.00 C ATOM 506 O ASN A 38 -5.243 1.694 -10.001 1.00 0.00 O ATOM 507 CB ASN A 38 -4.822 3.758 -7.906 1.00 0.00 C ATOM 508 CG ASN A 38 -6.208 4.129 -7.399 1.00 0.00 C ATOM 509 OD1 ASN A 38 -7.158 3.204 -7.502 1.00 0.00 O flip ATOM 510 ND2 ASN A 38 -6.422 5.241 -6.917 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.605 2.725 -8.509 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.784 1.927 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.074 4.319 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.731 4.058 -8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.667 5.924 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.354 5.480 -6.579 1.00 0.00 H new ATOM 517 N PRO A 39 -6.216 0.551 -8.316 1.00 0.00 N ATOM 518 CA PRO A 39 -7.074 -0.251 -9.185 1.00 0.00 C ATOM 519 C PRO A 39 -8.376 0.463 -9.555 1.00 0.00 C ATOM 520 O PRO A 39 -9.258 0.629 -8.712 1.00 0.00 O ATOM 521 CB PRO A 39 -7.368 -1.476 -8.325 1.00 0.00 C ATOM 522 CG PRO A 39 -7.366 -0.961 -6.926 1.00 0.00 C ATOM 523 CD PRO A 39 -6.402 0.198 -6.894 1.00 0.00 C ATOM 0 HA PRO A 39 -6.598 -0.472 -10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.329 -1.920 -8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.612 -2.249 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.365 -0.642 -6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.059 -1.739 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.805 1.036 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.458 -0.081 -6.426 1.00 0.00 H new ATOM 531 N PRO A 40 -8.520 0.898 -10.824 1.00 0.00 N ATOM 532 CA PRO A 40 -9.727 1.585 -11.287 1.00 0.00 C ATOM 533 C PRO A 40 -10.900 0.624 -11.442 1.00 0.00 C ATOM 534 O PRO A 40 -10.923 -0.196 -12.361 1.00 0.00 O ATOM 535 CB PRO A 40 -9.326 2.161 -12.657 1.00 0.00 C ATOM 536 CG PRO A 40 -7.851 1.944 -12.775 1.00 0.00 C ATOM 537 CD PRO A 40 -7.532 0.767 -11.901 1.00 0.00 C ATOM 0 HA PRO A 40 -10.058 2.345 -10.579 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.861 1.659 -13.464 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.572 3.221 -12.723 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.567 1.750 -13.809 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.300 2.828 -12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.637 -0.177 -12.436 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.511 0.807 -11.523 1.00 0.00 H new ATOM 545 N ALA A 41 -11.875 0.738 -10.541 1.00 0.00 N ATOM 546 CA ALA A 41 -13.055 -0.121 -10.565 1.00 0.00 C ATOM 547 C ALA A 41 -13.995 0.213 -9.412 1.00 0.00 C ATOM 548 O ALA A 41 -13.700 1.080 -8.589 1.00 0.00 O ATOM 549 CB ALA A 41 -12.651 -1.588 -10.496 1.00 0.00 C ATOM 0 H ALA A 41 -11.869 1.420 -9.783 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.580 0.058 -11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.544 -2.213 -10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.019 -1.832 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.100 -1.771 -9.573 1.00 0.00 H new ATOM 555 N THR A 42 -15.126 -0.482 -9.359 1.00 0.00 N ATOM 556 CA THR A 42 -16.111 -0.265 -8.308 1.00 0.00 C ATOM 557 C THR A 42 -15.989 -1.316 -7.205 1.00 0.00 C ATOM 558 O THR A 42 -16.592 -2.388 -7.280 1.00 0.00 O ATOM 559 CB THR A 42 -17.545 -0.281 -8.874 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.496 -0.309 -7.805 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.761 -1.481 -9.788 1.00 0.00 C ATOM 0 H THR A 42 -15.383 -1.202 -10.034 1.00 0.00 H new ATOM 0 HA THR A 42 -15.909 0.718 -7.882 1.00 0.00 H new ATOM 0 HB THR A 42 -17.686 0.627 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.404 -0.317 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.781 -1.467 -10.173 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.059 -1.436 -10.620 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.598 -2.401 -9.226 1.00 0.00 H new ATOM 569 N LEU A 43 -15.200 -1.003 -6.180 1.00 0.00 N ATOM 570 CA LEU A 43 -15.000 -1.916 -5.060 1.00 0.00 C ATOM 571 C LEU A 43 -16.329 -2.197 -4.359 1.00 0.00 C ATOM 572 O LEU A 43 -16.793 -1.399 -3.545 1.00 0.00 O ATOM 573 CB LEU A 43 -13.993 -1.322 -4.064 1.00 0.00 C ATOM 574 CG LEU A 43 -12.793 -0.604 -4.697 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.995 0.138 -3.635 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.901 -1.591 -5.436 1.00 0.00 C ATOM 0 H LEU A 43 -14.689 -0.124 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.602 -2.855 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.518 -0.618 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.621 -2.124 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.172 0.121 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.148 0.641 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.633 0.876 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.631 -0.571 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.057 -1.060 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.532 -2.342 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.474 -2.079 -6.224 1.00 0.00 H new ATOM 588 N ALA A 44 -16.935 -3.336 -4.687 1.00 0.00 N ATOM 589 CA ALA A 44 -18.218 -3.726 -4.105 1.00 0.00 C ATOM 590 C ALA A 44 -18.157 -3.762 -2.581 1.00 0.00 C ATOM 591 O ALA A 44 -19.087 -3.325 -1.903 1.00 0.00 O ATOM 592 CB ALA A 44 -18.650 -5.080 -4.646 1.00 0.00 C ATOM 0 H ALA A 44 -16.557 -4.007 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.954 -2.974 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.607 -5.360 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.753 -5.023 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.901 -5.829 -4.392 1.00 0.00 H new ATOM 598 N ASN A 45 -17.060 -4.288 -2.049 1.00 0.00 N ATOM 599 CA ASN A 45 -16.876 -4.378 -0.605 1.00 0.00 C ATOM 600 C ASN A 45 -15.410 -4.624 -0.264 1.00 0.00 C ATOM 601 O ASN A 45 -14.534 -4.460 -1.112 1.00 0.00 O ATOM 602 CB ASN A 45 -17.766 -5.482 -0.013 1.00 0.00 C ATOM 603 CG ASN A 45 -17.703 -6.785 -0.790 1.00 0.00 C ATOM 604 OD1 ASN A 45 -16.512 -7.155 -1.243 1.00 0.00 O flip ATOM 605 ND2 ASN A 45 -18.717 -7.461 -0.967 1.00 0.00 N flip ATOM 0 H ASN A 45 -16.283 -4.659 -2.596 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.173 -3.428 -0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.466 -5.667 1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.798 -5.132 0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.614 -7.140 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.660 -8.342 -1.479 1.00 0.00 H new ATOM 612 N ALA A 46 -15.143 -5.018 0.977 1.00 0.00 N ATOM 613 CA ALA A 46 -13.778 -5.268 1.416 1.00 0.00 C ATOM 614 C ALA A 46 -13.217 -6.544 0.804 1.00 0.00 C ATOM 615 O ALA A 46 -12.176 -6.518 0.154 1.00 0.00 O ATOM 616 CB ALA A 46 -13.718 -5.334 2.934 1.00 0.00 C ATOM 0 H ALA A 46 -15.853 -5.170 1.693 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.159 -4.439 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.692 -5.521 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.059 -4.388 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.360 -6.140 3.289 1.00 0.00 H new ATOM 622 N THR A 47 -13.910 -7.657 1.015 1.00 0.00 N ATOM 623 CA THR A 47 -13.473 -8.940 0.479 1.00 0.00 C ATOM 624 C THR A 47 -13.242 -8.864 -1.030 1.00 0.00 C ATOM 625 O THR A 47 -12.554 -9.707 -1.606 1.00 0.00 O ATOM 626 CB THR A 47 -14.503 -10.049 0.775 1.00 0.00 C ATOM 627 OG1 THR A 47 -14.814 -10.066 2.174 1.00 0.00 O ATOM 628 CG2 THR A 47 -13.971 -11.412 0.358 1.00 0.00 C ATOM 0 H THR A 47 -14.776 -7.697 1.553 1.00 0.00 H new ATOM 0 HA THR A 47 -12.532 -9.183 0.972 1.00 0.00 H new ATOM 0 HB THR A 47 -15.405 -9.837 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.470 -10.771 2.355 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.717 -12.176 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.759 -11.408 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.056 -11.629 0.909 1.00 0.00 H new ATOM 636 N HIS A 48 -13.812 -7.843 -1.663 1.00 0.00 N ATOM 637 CA HIS A 48 -13.682 -7.673 -3.105 1.00 0.00 C ATOM 638 C HIS A 48 -12.295 -7.175 -3.492 1.00 0.00 C ATOM 639 O HIS A 48 -11.608 -7.819 -4.285 1.00 0.00 O ATOM 640 CB HIS A 48 -14.755 -6.719 -3.636 1.00 0.00 C ATOM 641 CG HIS A 48 -14.712 -6.526 -5.121 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.484 -7.263 -5.995 1.00 0.00 N ATOM 643 CD2 HIS A 48 -13.990 -5.673 -5.890 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.237 -6.874 -7.234 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.337 -5.911 -7.196 1.00 0.00 N ATOM 0 H HIS A 48 -14.367 -7.123 -1.201 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.823 -8.653 -3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.737 -7.101 -3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.639 -5.750 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.275 -4.943 -5.540 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.695 -7.276 -8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.959 -5.422 -8.007 1.00 0.00 H new ATOM 654 N PHE A 49 -11.873 -6.037 -2.944 1.00 0.00 N ATOM 655 CA PHE A 49 -10.555 -5.515 -3.279 1.00 0.00 C ATOM 656 C PHE A 49 -9.493 -6.213 -2.447 1.00 0.00 C ATOM 657 O PHE A 49 -8.306 -6.163 -2.763 1.00 0.00 O ATOM 658 CB PHE A 49 -10.487 -3.983 -3.177 1.00 0.00 C ATOM 659 CG PHE A 49 -10.347 -3.398 -1.804 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.161 -3.800 -0.762 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.410 -2.405 -1.576 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.035 -3.224 0.488 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.286 -1.822 -0.335 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.096 -2.232 0.699 1.00 0.00 C ATOM 0 H PHE A 49 -12.409 -5.474 -2.284 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.355 -5.737 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.645 -3.640 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.390 -3.573 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.901 -4.570 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.768 -2.083 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.670 -3.549 1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.554 -1.044 -0.173 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.998 -1.779 1.675 1.00 0.00 H new ATOM 674 N GLU A 50 -9.928 -6.858 -1.369 1.00 0.00 N ATOM 675 CA GLU A 50 -9.017 -7.618 -0.530 1.00 0.00 C ATOM 676 C GLU A 50 -8.508 -8.823 -1.314 1.00 0.00 C ATOM 677 O GLU A 50 -7.356 -9.232 -1.170 1.00 0.00 O ATOM 678 CB GLU A 50 -9.710 -8.088 0.750 1.00 0.00 C ATOM 679 CG GLU A 50 -9.583 -7.117 1.911 1.00 0.00 C ATOM 680 CD GLU A 50 -10.207 -7.650 3.185 1.00 0.00 C ATOM 681 OE1 GLU A 50 -11.444 -7.543 3.330 1.00 0.00 O ATOM 682 OE2 GLU A 50 -9.461 -8.175 4.038 1.00 0.00 O ATOM 0 H GLU A 50 -10.900 -6.868 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.183 -6.976 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.767 -8.252 0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.291 -9.050 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.529 -6.904 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.059 -6.173 1.645 1.00 0.00 H new ATOM 689 N SER A 51 -9.386 -9.387 -2.149 1.00 0.00 N ATOM 690 CA SER A 51 -9.034 -10.538 -2.969 1.00 0.00 C ATOM 691 C SER A 51 -8.313 -10.100 -4.242 1.00 0.00 C ATOM 692 O SER A 51 -7.433 -10.804 -4.736 1.00 0.00 O ATOM 693 CB SER A 51 -10.289 -11.333 -3.329 1.00 0.00 C ATOM 694 OG SER A 51 -9.970 -12.458 -4.130 1.00 0.00 O ATOM 0 H SER A 51 -10.345 -9.061 -2.271 1.00 0.00 H new ATOM 0 HA SER A 51 -8.361 -11.173 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.788 -11.662 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.990 -10.690 -3.862 1.00 0.00 H new ATOM 0 HG SER A 51 -10.790 -12.950 -4.345 1.00 0.00 H new ATOM 700 N THR A 52 -8.693 -8.936 -4.772 1.00 0.00 N ATOM 701 CA THR A 52 -8.071 -8.422 -5.990 1.00 0.00 C ATOM 702 C THR A 52 -6.582 -8.179 -5.765 1.00 0.00 C ATOM 703 O THR A 52 -5.777 -8.292 -6.689 1.00 0.00 O ATOM 704 CB THR A 52 -8.752 -7.123 -6.486 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.651 -7.039 -7.913 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.125 -5.878 -5.869 1.00 0.00 C ATOM 0 H THR A 52 -9.421 -8.338 -4.381 1.00 0.00 H new ATOM 0 HA THR A 52 -8.200 -9.179 -6.764 1.00 0.00 H new ATOM 0 HB THR A 52 -9.797 -7.164 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.084 -6.217 -8.224 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.634 -4.990 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.223 -5.921 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.069 -5.832 -6.136 1.00 0.00 H new ATOM 714 N CYS A 53 -6.226 -7.846 -4.527 1.00 0.00 N ATOM 715 CA CYS A 53 -4.833 -7.608 -4.170 1.00 0.00 C ATOM 716 C CYS A 53 -4.142 -8.931 -3.855 1.00 0.00 C ATOM 717 O CYS A 53 -3.043 -9.203 -4.339 1.00 0.00 O ATOM 718 CB CYS A 53 -4.738 -6.673 -2.961 1.00 0.00 C ATOM 719 SG CYS A 53 -5.524 -5.046 -3.206 1.00 0.00 S ATOM 0 H CYS A 53 -6.884 -7.735 -3.755 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.336 -7.135 -5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.200 -7.161 -2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.687 -6.522 -2.715 1.00 0.00 H new ATOM 724 N ALA A 54 -4.800 -9.750 -3.038 1.00 0.00 N ATOM 725 CA ALA A 54 -4.266 -11.051 -2.654 1.00 0.00 C ATOM 726 C ALA A 54 -4.118 -11.975 -3.859 1.00 0.00 C ATOM 727 O ALA A 54 -3.441 -13.001 -3.781 1.00 0.00 O ATOM 728 CB ALA A 54 -5.159 -11.694 -1.606 1.00 0.00 C ATOM 0 H ALA A 54 -5.708 -9.533 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.273 -10.893 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.751 -12.665 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.206 -11.053 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.161 -11.825 -2.013 1.00 0.00 H new ATOM 734 N ALA A 55 -4.760 -11.614 -4.970 1.00 0.00 N ATOM 735 CA ALA A 55 -4.689 -12.416 -6.189 1.00 0.00 C ATOM 736 C ALA A 55 -3.242 -12.738 -6.538 1.00 0.00 C ATOM 737 O ALA A 55 -2.894 -13.891 -6.799 1.00 0.00 O ATOM 738 CB ALA A 55 -5.360 -11.691 -7.346 1.00 0.00 C ATOM 0 H ALA A 55 -5.333 -10.774 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.218 -13.352 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.297 -12.304 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.407 -11.509 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.857 -10.739 -7.520 1.00 0.00 H new ATOM 744 N ILE A 56 -2.404 -11.708 -6.537 1.00 0.00 N ATOM 745 CA ILE A 56 -0.987 -11.874 -6.840 1.00 0.00 C ATOM 746 C ILE A 56 -0.196 -12.160 -5.566 1.00 0.00 C ATOM 747 O ILE A 56 0.987 -12.497 -5.619 1.00 0.00 O ATOM 748 CB ILE A 56 -0.407 -10.624 -7.530 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.622 -9.389 -6.652 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.050 -10.433 -8.898 1.00 0.00 C ATOM 751 CD1 ILE A 56 0.000 -8.126 -7.210 1.00 0.00 C ATOM 0 H ILE A 56 -2.681 -10.749 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.899 -12.720 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 56 0.665 -10.762 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.692 -9.229 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.206 -9.581 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.632 -9.547 -9.376 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.852 -11.307 -9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.126 -10.308 -8.780 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.195 -7.295 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.076 -8.265 -7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.433 -7.908 -8.186 1.00 0.00 H new ATOM 763 N GLY A 57 -0.863 -12.021 -4.422 1.00 0.00 N ATOM 764 CA GLY A 57 -0.219 -12.276 -3.145 1.00 0.00 C ATOM 765 C GLY A 57 0.005 -11.013 -2.334 1.00 0.00 C ATOM 766 O GLY A 57 0.922 -10.952 -1.516 1.00 0.00 O ATOM 0 H GLY A 57 -1.840 -11.736 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.831 -12.969 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.739 -12.765 -3.318 1.00 0.00 H new ATOM 770 N GLN A 58 -0.837 -10.005 -2.553 1.00 0.00 N ATOM 771 CA GLN A 58 -0.719 -8.741 -1.833 1.00 0.00 C ATOM 772 C GLN A 58 -1.926 -8.519 -0.925 1.00 0.00 C ATOM 773 O GLN A 58 -2.634 -9.465 -0.578 1.00 0.00 O ATOM 774 CB GLN A 58 -0.579 -7.572 -2.814 1.00 0.00 C ATOM 775 CG GLN A 58 0.680 -7.609 -3.677 1.00 0.00 C ATOM 776 CD GLN A 58 1.861 -8.304 -3.016 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.531 -7.734 -2.156 1.00 0.00 O ATOM 778 NE2 GLN A 58 2.136 -9.533 -3.440 1.00 0.00 N ATOM 0 H GLN A 58 -1.606 -10.040 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 58 0.177 -8.789 -1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.451 -7.558 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.589 -6.639 -2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.451 -8.116 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.966 -6.588 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.553 -9.968 -4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.930 -10.041 -3.050 1.00 0.00 H new ATOM 787 N ARG A 59 -2.155 -7.266 -0.537 1.00 0.00 N ATOM 788 CA ARG A 59 -3.274 -6.931 0.339 1.00 0.00 C ATOM 789 C ARG A 59 -3.732 -5.496 0.127 1.00 0.00 C ATOM 790 O ARG A 59 -3.003 -4.667 -0.417 1.00 0.00 O ATOM 791 CB ARG A 59 -2.879 -7.134 1.804 1.00 0.00 C ATOM 792 CG ARG A 59 -1.807 -6.170 2.281 1.00 0.00 C ATOM 793 CD ARG A 59 -0.416 -6.627 1.870 1.00 0.00 C ATOM 794 NE ARG A 59 -0.073 -7.921 2.454 1.00 0.00 N ATOM 795 CZ ARG A 59 1.058 -8.573 2.197 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.949 -8.058 1.360 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.297 -9.743 2.773 1.00 0.00 N ATOM 0 H ARG A 59 -1.582 -6.469 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.101 -7.596 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.764 -7.020 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.524 -8.156 1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.000 -5.179 1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.855 -6.081 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.362 -6.693 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.317 -5.883 2.181 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.739 -8.350 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.768 -7.160 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.815 -8.560 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.613 -10.145 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.165 -10.241 2.575 1.00 0.00 H new ATOM 811 N ALA A 60 -4.950 -5.220 0.570 1.00 0.00 N ATOM 812 CA ALA A 60 -5.536 -3.890 0.447 1.00 0.00 C ATOM 813 C ALA A 60 -4.883 -2.916 1.428 1.00 0.00 C ATOM 814 O ALA A 60 -4.860 -3.158 2.636 1.00 0.00 O ATOM 815 CB ALA A 60 -7.040 -3.960 0.680 1.00 0.00 C ATOM 0 H ALA A 60 -5.557 -5.904 1.021 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.354 -3.522 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.470 -2.963 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.492 -4.621 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.236 -4.347 1.680 1.00 0.00 H new ATOM 821 N ARG A 61 -4.356 -1.813 0.899 1.00 0.00 N ATOM 822 CA ARG A 61 -3.692 -0.801 1.719 1.00 0.00 C ATOM 823 C ARG A 61 -4.183 0.601 1.357 1.00 0.00 C ATOM 824 O ARG A 61 -5.027 0.768 0.477 1.00 0.00 O ATOM 825 CB ARG A 61 -2.176 -0.874 1.516 1.00 0.00 C ATOM 826 CG ARG A 61 -1.590 -2.256 1.747 1.00 0.00 C ATOM 827 CD ARG A 61 -1.412 -2.557 3.223 1.00 0.00 C ATOM 828 NE ARG A 61 -0.168 -2.006 3.759 1.00 0.00 N ATOM 829 CZ ARG A 61 0.269 -2.239 4.995 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.444 -2.987 5.827 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.423 -1.725 5.400 1.00 0.00 N ATOM 0 H ARG A 61 -4.376 -1.597 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.933 -1.000 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.939 -0.555 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.694 -0.168 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.242 -3.006 1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.626 -2.330 1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.256 -2.148 3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.423 -3.636 3.375 1.00 0.00 H new ATOM 0 HE ARG A 61 0.396 -1.410 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.331 -3.386 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.105 -3.163 6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.977 -1.151 4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.757 -1.904 6.347 1.00 0.00 H new ATOM 845 N CYS A 62 -3.645 1.607 2.047 1.00 0.00 N ATOM 846 CA CYS A 62 -4.005 3.003 1.794 1.00 0.00 C ATOM 847 C CYS A 62 -2.814 3.910 2.116 1.00 0.00 C ATOM 848 O CYS A 62 -2.415 4.019 3.274 1.00 0.00 O ATOM 849 CB CYS A 62 -5.221 3.419 2.638 1.00 0.00 C ATOM 850 SG CYS A 62 -6.505 4.303 1.691 1.00 0.00 S ATOM 0 H CYS A 62 -2.956 1.481 2.788 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.268 3.106 0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.662 2.529 3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.883 4.055 3.456 1.00 0.00 H new ATOM 855 N CYS A 63 -2.231 4.543 1.090 1.00 0.00 N ATOM 856 CA CYS A 63 -1.078 5.418 1.297 1.00 0.00 C ATOM 857 C CYS A 63 -1.385 6.840 0.841 1.00 0.00 C ATOM 858 O CYS A 63 -2.403 7.088 0.194 1.00 0.00 O ATOM 859 CB CYS A 63 0.161 4.893 0.556 1.00 0.00 C ATOM 860 SG CYS A 63 -0.011 3.238 -0.201 1.00 0.00 S ATOM 0 H CYS A 63 -2.537 4.465 0.120 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.866 5.427 2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.422 5.605 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.996 4.867 1.256 1.00 0.00 H new ATOM 865 N LYS A 64 -0.493 7.770 1.177 1.00 0.00 N ATOM 866 CA LYS A 64 -0.677 9.173 0.810 1.00 0.00 C ATOM 867 C LYS A 64 0.131 9.532 -0.440 1.00 0.00 C ATOM 868 O LYS A 64 0.717 8.658 -1.078 1.00 0.00 O ATOM 869 CB LYS A 64 -0.303 10.080 1.999 1.00 0.00 C ATOM 870 CG LYS A 64 1.065 10.755 1.904 1.00 0.00 C ATOM 871 CD LYS A 64 2.208 9.752 1.882 1.00 0.00 C ATOM 872 CE LYS A 64 2.573 9.291 3.281 1.00 0.00 C ATOM 873 NZ LYS A 64 3.996 8.864 3.365 1.00 0.00 N ATOM 0 H LYS A 64 0.361 7.579 1.701 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.728 9.333 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.065 10.853 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.333 9.485 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.104 11.365 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.194 11.429 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.926 8.891 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.080 10.203 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.393 10.100 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.927 8.463 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.131 8.269 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.246 8.321 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.607 9.703 3.433 1.00 0.00 H new ATOM 887 N ASP A 65 0.136 10.825 -0.783 1.00 0.00 N ATOM 888 CA ASP A 65 0.867 11.338 -1.944 1.00 0.00 C ATOM 889 C ASP A 65 0.114 11.049 -3.238 1.00 0.00 C ATOM 890 O ASP A 65 0.576 11.386 -4.328 1.00 0.00 O ATOM 891 CB ASP A 65 2.284 10.753 -2.007 1.00 0.00 C ATOM 892 CG ASP A 65 3.160 11.458 -3.026 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.742 12.506 -2.681 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.261 10.960 -4.166 1.00 0.00 O ATOM 0 H ASP A 65 -0.367 11.544 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 65 0.948 12.419 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.747 10.825 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.225 9.693 -2.255 1.00 0.00 H new ATOM 899 N ASP A 66 -1.054 10.429 -3.107 1.00 0.00 N ATOM 900 CA ASP A 66 -1.883 10.106 -4.262 1.00 0.00 C ATOM 901 C ASP A 66 -3.175 10.915 -4.234 1.00 0.00 C ATOM 902 O ASP A 66 -4.174 10.537 -4.846 1.00 0.00 O ATOM 903 CB ASP A 66 -2.195 8.609 -4.295 1.00 0.00 C ATOM 904 CG ASP A 66 -2.568 8.067 -2.929 1.00 0.00 C ATOM 905 OD1 ASP A 66 -3.386 8.710 -2.239 1.00 0.00 O ATOM 906 OD2 ASP A 66 -2.040 7.000 -2.550 1.00 0.00 O ATOM 0 H ASP A 66 -1.448 10.140 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.330 10.365 -5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.013 8.426 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.328 8.068 -4.673 1.00 0.00 H new ATOM 911 N VAL A 67 -3.140 12.030 -3.514 1.00 0.00 N ATOM 912 CA VAL A 67 -4.301 12.906 -3.395 1.00 0.00 C ATOM 913 C VAL A 67 -4.053 14.267 -4.048 1.00 0.00 C ATOM 914 O VAL A 67 -4.990 14.923 -4.504 1.00 0.00 O ATOM 915 CB VAL A 67 -4.690 13.116 -1.917 1.00 0.00 C ATOM 916 CG1 VAL A 67 -4.952 11.779 -1.242 1.00 0.00 C ATOM 917 CG2 VAL A 67 -3.605 13.886 -1.180 1.00 0.00 C ATOM 0 H VAL A 67 -2.318 12.350 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.120 12.412 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.607 13.705 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.225 11.945 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.767 11.267 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.052 11.166 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.899 14.023 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.670 13.327 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.467 14.860 -1.650 1.00 0.00 H new ATOM 927 N THR A 68 -2.790 14.688 -4.087 1.00 0.00 N ATOM 928 CA THR A 68 -2.427 15.973 -4.682 1.00 0.00 C ATOM 929 C THR A 68 -2.383 15.890 -6.207 1.00 0.00 C ATOM 930 O THR A 68 -1.929 16.821 -6.873 1.00 0.00 O ATOM 931 CB THR A 68 -1.062 16.477 -4.165 1.00 0.00 C ATOM 932 OG1 THR A 68 -0.899 17.863 -4.491 1.00 0.00 O ATOM 933 CG2 THR A 68 0.092 15.681 -4.768 1.00 0.00 C ATOM 0 H THR A 68 -2.002 14.159 -3.714 1.00 0.00 H new ATOM 0 HA THR A 68 -3.201 16.680 -4.383 1.00 0.00 H new ATOM 0 HB THR A 68 -1.046 16.342 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.156 18.012 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.038 16.062 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.012 14.630 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.076 15.782 -5.853 1.00 0.00 H new ATOM 941 N ASN A 69 -2.855 14.775 -6.752 1.00 0.00 N ATOM 942 CA ASN A 69 -2.862 14.575 -8.196 1.00 0.00 C ATOM 943 C ASN A 69 -4.002 13.649 -8.608 1.00 0.00 C ATOM 944 O ASN A 69 -3.965 12.448 -8.344 1.00 0.00 O ATOM 945 CB ASN A 69 -1.524 13.991 -8.654 1.00 0.00 C ATOM 946 CG ASN A 69 -1.385 13.968 -10.164 1.00 0.00 C ATOM 947 OD1 ASN A 69 -1.746 12.988 -10.817 1.00 0.00 O ATOM 948 ND2 ASN A 69 -0.860 15.050 -10.726 1.00 0.00 N ATOM 0 H ASN A 69 -3.238 13.996 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.012 15.543 -8.675 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.710 14.577 -8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.423 12.977 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.742 15.093 -11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.575 15.839 -10.146 1.00 0.00 H new ATOM 955 N THR A 70 -5.015 14.219 -9.254 1.00 0.00 N ATOM 956 CA THR A 70 -6.168 13.454 -9.704 1.00 0.00 C ATOM 957 C THR A 70 -5.751 12.303 -10.614 1.00 0.00 C ATOM 958 O THR A 70 -6.469 11.311 -10.745 1.00 0.00 O ATOM 959 CB THR A 70 -7.164 14.354 -10.453 1.00 0.00 C ATOM 960 OG1 THR A 70 -6.546 14.906 -11.621 1.00 0.00 O ATOM 961 CG2 THR A 70 -7.660 15.478 -9.557 1.00 0.00 C ATOM 0 H THR A 70 -5.058 15.213 -9.477 1.00 0.00 H new ATOM 0 HA THR A 70 -6.648 13.045 -8.815 1.00 0.00 H new ATOM 0 HB THR A 70 -8.017 13.743 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.188 15.476 -12.092 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.363 16.101 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.158 15.055 -8.685 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.815 16.085 -9.233 1.00 0.00 H new ATOM 969 N GLY A 71 -4.587 12.442 -11.241 1.00 0.00 N ATOM 970 CA GLY A 71 -4.093 11.405 -12.128 1.00 0.00 C ATOM 971 C GLY A 71 -3.183 10.426 -11.414 1.00 0.00 C ATOM 972 O GLY A 71 -2.301 9.824 -12.028 1.00 0.00 O ATOM 0 H GLY A 71 -3.977 13.255 -11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.937 10.866 -12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.552 11.864 -12.955 1.00 0.00 H new ATOM 976 N ASN A 72 -3.398 10.269 -10.112 1.00 0.00 N ATOM 977 CA ASN A 72 -2.593 9.359 -9.304 1.00 0.00 C ATOM 978 C ASN A 72 -2.885 7.905 -9.666 1.00 0.00 C ATOM 979 O ASN A 72 -4.037 7.534 -9.889 1.00 0.00 O ATOM 980 CB ASN A 72 -2.871 9.589 -7.817 1.00 0.00 C ATOM 981 CG ASN A 72 -4.314 9.297 -7.449 1.00 0.00 C ATOM 982 OD1 ASN A 72 -4.593 8.049 -7.094 1.00 0.00 O flip ATOM 983 ND2 ASN A 72 -5.167 10.185 -7.483 1.00 0.00 N flip ATOM 0 H ASN A 72 -4.125 10.761 -9.592 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.542 9.562 -9.510 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.212 8.955 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.635 10.622 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.907 11.131 -7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.133 9.974 -7.232 1.00 0.00 H new ATOM 990 N SER A 73 -1.838 7.087 -9.724 1.00 0.00 N ATOM 991 CA SER A 73 -1.992 5.675 -10.056 1.00 0.00 C ATOM 992 C SER A 73 -0.953 4.824 -9.332 1.00 0.00 C ATOM 993 O SER A 73 -1.257 4.179 -8.328 1.00 0.00 O ATOM 994 CB SER A 73 -1.881 5.469 -11.567 1.00 0.00 C ATOM 995 OG SER A 73 -2.018 4.100 -11.906 1.00 0.00 O ATOM 0 H SER A 73 -0.876 7.377 -9.546 1.00 0.00 H new ATOM 0 HA SER A 73 -2.981 5.358 -9.727 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.650 6.051 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.918 5.839 -11.918 1.00 0.00 H new ATOM 0 HG SER A 73 -1.945 3.995 -12.878 1.00 0.00 H new ATOM 1001 N PHE A 74 0.275 4.825 -9.845 1.00 0.00 N ATOM 1002 CA PHE A 74 1.357 4.047 -9.243 1.00 0.00 C ATOM 1003 C PHE A 74 2.369 4.957 -8.543 1.00 0.00 C ATOM 1004 O PHE A 74 2.851 5.925 -9.130 1.00 0.00 O ATOM 1005 CB PHE A 74 2.059 3.200 -10.314 1.00 0.00 C ATOM 1006 CG PHE A 74 3.418 2.709 -9.899 1.00 0.00 C ATOM 1007 CD1 PHE A 74 3.563 1.884 -8.794 1.00 0.00 C ATOM 1008 CD2 PHE A 74 4.551 3.079 -10.606 1.00 0.00 C ATOM 1009 CE1 PHE A 74 4.809 1.437 -8.404 1.00 0.00 C ATOM 1010 CE2 PHE A 74 5.801 2.635 -10.220 1.00 0.00 C ATOM 1011 CZ PHE A 74 5.930 1.813 -9.117 1.00 0.00 C ATOM 0 H PHE A 74 0.546 5.354 -10.674 1.00 0.00 H new ATOM 0 HA PHE A 74 0.922 3.386 -8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.431 2.343 -10.556 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.158 3.791 -11.225 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.690 1.588 -8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.456 3.722 -11.469 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.907 0.794 -7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.676 2.930 -10.780 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.906 1.465 -8.813 1.00 0.00 H new ATOM 1021 N LEU A 75 2.689 4.642 -7.283 1.00 0.00 N ATOM 1022 CA LEU A 75 3.649 5.435 -6.523 1.00 0.00 C ATOM 1023 C LEU A 75 4.634 4.541 -5.778 1.00 0.00 C ATOM 1024 O LEU A 75 4.333 3.390 -5.463 1.00 0.00 O ATOM 1025 CB LEU A 75 2.935 6.350 -5.520 1.00 0.00 C ATOM 1026 CG LEU A 75 1.836 7.243 -6.105 1.00 0.00 C ATOM 1027 CD1 LEU A 75 0.530 6.476 -6.242 1.00 0.00 C ATOM 1028 CD2 LEU A 75 1.641 8.478 -5.238 1.00 0.00 C ATOM 0 H LEU A 75 2.298 3.849 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 75 4.198 6.048 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.497 5.730 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.680 6.987 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 75 2.147 7.561 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.235 7.131 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.677 5.622 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.210 6.124 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.857 9.103 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.354 8.174 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.572 9.043 -5.195 1.00 0.00 H new ATOM 1040 N ILE A 76 5.811 5.088 -5.504 1.00 0.00 N ATOM 1041 CA ILE A 76 6.850 4.369 -4.779 1.00 0.00 C ATOM 1042 C ILE A 76 7.012 4.994 -3.403 1.00 0.00 C ATOM 1043 O ILE A 76 7.670 6.023 -3.250 1.00 0.00 O ATOM 1044 CB ILE A 76 8.200 4.406 -5.527 1.00 0.00 C ATOM 1045 CG1 ILE A 76 8.041 3.820 -6.933 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.261 3.644 -4.743 1.00 0.00 C ATOM 1047 CD1 ILE A 76 9.289 3.923 -7.787 1.00 0.00 C ATOM 0 H ILE A 76 6.071 6.036 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 76 6.549 3.325 -4.693 1.00 0.00 H new ATOM 0 HB ILE A 76 8.522 5.443 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.756 2.771 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.223 4.333 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.207 3.679 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.386 4.101 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.950 2.606 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.096 3.487 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.564 4.971 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.105 3.385 -7.305 1.00 0.00 H new ATOM 1059 N ILE A 77 6.411 4.366 -2.401 1.00 0.00 N ATOM 1060 CA ILE A 77 6.450 4.895 -1.048 1.00 0.00 C ATOM 1061 C ILE A 77 6.816 3.843 -0.010 1.00 0.00 C ATOM 1062 O ILE A 77 6.852 2.646 -0.295 1.00 0.00 O ATOM 1063 CB ILE A 77 5.090 5.510 -0.680 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.954 4.575 -1.148 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.965 6.906 -1.281 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.809 5.274 -1.857 1.00 0.00 C ATOM 0 H ILE A 77 5.893 3.493 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 77 7.230 5.656 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 77 5.013 5.614 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.373 3.823 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.558 4.045 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.998 7.332 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.761 7.542 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.047 6.844 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.059 4.539 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.358 6.006 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.186 5.780 -2.746 1.00 0.00 H new ATOM 1078 N ASN A 78 7.085 4.318 1.202 1.00 0.00 N ATOM 1079 CA ASN A 78 7.453 3.456 2.318 1.00 0.00 C ATOM 1080 C ASN A 78 6.278 2.590 2.754 1.00 0.00 C ATOM 1081 O ASN A 78 5.138 2.826 2.352 1.00 0.00 O ATOM 1082 CB ASN A 78 7.920 4.312 3.495 1.00 0.00 C ATOM 1083 CG ASN A 78 8.777 3.533 4.475 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.407 2.540 4.113 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.817 3.986 5.722 1.00 0.00 N ATOM 0 H ASN A 78 7.054 5.310 1.437 1.00 0.00 H new ATOM 0 HA ASN A 78 8.260 2.801 1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.487 5.164 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.051 4.713 4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.385 3.507 6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.280 4.813 5.982 1.00 0.00 H new ATOM 1092 N ALA A 79 6.559 1.585 3.578 1.00 0.00 N ATOM 1093 CA ALA A 79 5.517 0.700 4.079 1.00 0.00 C ATOM 1094 C ALA A 79 4.668 1.418 5.121 1.00 0.00 C ATOM 1095 O ALA A 79 3.449 1.256 5.163 1.00 0.00 O ATOM 1096 CB ALA A 79 6.125 -0.566 4.663 1.00 0.00 C ATOM 0 H ALA A 79 7.498 1.365 3.911 1.00 0.00 H new ATOM 0 HA ALA A 79 4.874 0.416 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.330 -1.214 5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.690 -1.088 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.791 -0.304 5.485 1.00 0.00 H new ATOM 1102 N ALA A 80 5.325 2.211 5.962 1.00 0.00 N ATOM 1103 CA ALA A 80 4.635 2.970 6.994 1.00 0.00 C ATOM 1104 C ALA A 80 3.715 4.004 6.362 1.00 0.00 C ATOM 1105 O ALA A 80 2.778 4.491 6.994 1.00 0.00 O ATOM 1106 CB ALA A 80 5.641 3.649 7.910 1.00 0.00 C ATOM 0 H ALA A 80 6.336 2.343 5.947 1.00 0.00 H new ATOM 0 HA ALA A 80 4.031 2.283 7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.111 4.213 8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.269 2.894 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.265 4.327 7.327 1.00 0.00 H new ATOM 1112 N ASN A 81 3.996 4.332 5.105 1.00 0.00 N ATOM 1113 CA ASN A 81 3.204 5.306 4.371 1.00 0.00 C ATOM 1114 C ASN A 81 1.848 4.723 3.998 1.00 0.00 C ATOM 1115 O ASN A 81 0.914 5.456 3.671 1.00 0.00 O ATOM 1116 CB ASN A 81 3.952 5.755 3.114 1.00 0.00 C ATOM 1117 CG ASN A 81 5.335 6.292 3.427 1.00 0.00 C ATOM 1118 OD1 ASN A 81 6.052 6.718 2.396 1.00 0.00 O flip ATOM 1119 ND2 ASN A 81 5.753 6.331 4.586 1.00 0.00 N flip ATOM 0 H ASN A 81 4.770 3.934 4.574 1.00 0.00 H new ATOM 0 HA ASN A 81 3.041 6.172 5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.039 4.914 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.372 6.525 2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.169 5.993 5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.683 6.701 4.780 1.00 0.00 H new ATOM 1126 N CYS A 82 1.749 3.398 4.048 1.00 0.00 N ATOM 1127 CA CYS A 82 0.506 2.710 3.725 1.00 0.00 C ATOM 1128 C CYS A 82 0.068 1.825 4.892 1.00 0.00 C ATOM 1129 O CYS A 82 0.678 0.792 5.158 1.00 0.00 O ATOM 1130 CB CYS A 82 0.674 1.866 2.458 1.00 0.00 C ATOM 1131 SG CYS A 82 -0.707 2.029 1.282 1.00 0.00 S ATOM 0 H CYS A 82 2.517 2.780 4.310 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.265 3.460 3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.600 2.154 1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.777 0.818 2.741 1.00 0.00 H new ATOM 1136 N GLN A 83 -0.992 2.240 5.585 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.502 1.489 6.729 1.00 0.00 C ATOM 1138 C GLN A 83 -2.841 0.826 6.407 1.00 0.00 C ATOM 1139 O GLN A 83 -3.708 1.430 5.776 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.653 2.423 7.941 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.373 2.572 8.749 1.00 0.00 C ATOM 1142 CD GLN A 83 -0.536 3.495 9.941 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -1.621 3.604 10.513 1.00 0.00 O ATOM 1144 NE2 GLN A 83 0.545 4.166 10.321 1.00 0.00 N ATOM 0 H GLN A 83 -1.513 3.091 5.374 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.786 0.701 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.973 3.406 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.441 2.041 8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.052 1.590 9.097 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.417 2.956 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.424 4.045 9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.497 4.803 11.116 1.00 0.00 H new ATOM 1153 N THR A 84 -2.992 -0.427 6.846 1.00 0.00 N ATOM 1154 CA THR A 84 -4.218 -1.189 6.621 1.00 0.00 C ATOM 1155 C THR A 84 -5.455 -0.364 6.977 1.00 0.00 C ATOM 1156 O THR A 84 -5.485 0.291 8.020 1.00 0.00 O ATOM 1157 CB THR A 84 -4.228 -2.484 7.458 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.887 -2.943 7.667 1.00 0.00 O ATOM 1159 CG2 THR A 84 -5.032 -3.572 6.765 1.00 0.00 C ATOM 0 H THR A 84 -2.274 -0.935 7.362 1.00 0.00 H new ATOM 0 HA THR A 84 -4.245 -1.441 5.561 1.00 0.00 H new ATOM 0 HB THR A 84 -4.694 -2.263 8.418 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.902 -3.765 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.024 -4.475 7.375 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.060 -3.235 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.590 -3.787 5.792 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.498 -0.384 6.121 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.731 0.376 6.365 1.00 0.00 C ATOM 1169 C PRO A 85 -8.444 -0.063 7.642 1.00 0.00 C ATOM 1170 O PRO A 85 -8.465 -1.249 7.975 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.599 0.072 5.136 1.00 0.00 C ATOM 1172 CG PRO A 85 -8.032 -1.177 4.556 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.563 -1.142 4.857 1.00 0.00 C ATOM 0 HA PRO A 85 -7.527 1.438 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.644 -0.063 5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.564 0.891 4.417 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.499 -2.058 4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.209 -1.224 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.150 -2.145 4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.000 -0.651 4.063 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.027 0.900 8.353 1.00 0.00 N ATOM 1182 CA ALA A 86 -9.741 0.617 9.593 1.00 0.00 C ATOM 1183 C ALA A 86 -10.983 -0.231 9.332 1.00 0.00 C ATOM 1184 O ALA A 86 -11.775 0.071 8.438 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.124 1.915 10.287 1.00 0.00 C ATOM 0 H ALA A 86 -9.018 1.885 8.089 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.077 0.050 10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.656 1.690 11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.223 2.484 10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.767 2.502 9.631 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.148 -1.291 10.119 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.298 -2.166 9.957 1.00 0.00 C ATOM 1193 C GLY A 87 -12.007 -3.353 9.057 1.00 0.00 C ATOM 1194 O GLY A 87 -12.732 -4.348 9.080 1.00 0.00 O ATOM 0 H GLY A 87 -10.507 -1.560 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.616 -2.526 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.128 -1.595 9.542 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.946 -3.249 8.261 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.559 -4.320 7.354 1.00 0.00 C ATOM 1200 C LEU A 88 -9.537 -5.243 8.007 1.00 0.00 C ATOM 1201 O LEU A 88 -9.894 -6.403 8.306 1.00 0.00 O ATOM 1202 CB LEU A 88 -10.004 -3.738 6.061 1.00 0.00 C ATOM 1203 CG LEU A 88 -9.517 -4.763 5.051 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.842 -4.261 3.679 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -8.021 -5.009 5.194 1.00 0.00 C ATOM 1206 OXT LEU A 88 -8.391 -4.797 8.224 1.00 0.00 O ATOM 0 H LEU A 88 -10.339 -2.430 8.228 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.445 -4.910 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -10.777 -3.129 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.178 -3.071 6.306 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.016 -5.716 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.500 -4.983 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.920 -4.128 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.343 -3.306 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.702 -5.747 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.482 -4.076 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.807 -5.380 6.196 1.00 0.00 H new TER 1218 LEU A 88