USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 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 69 THR OG1 : rot -80:sc= -0.947 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.185 X(o=-1.1,f=-0.71) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 10 LYS NZ :NH3+ -166:sc=-0.00937 (180deg=-0.0665) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0382 (180deg=0) USER MOD Single : A 2 SER OG : rot 5:sc= 0.357 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 22:sc= 1.25 USER MOD Single : A 12 SER OG : rot -8:sc= 0.573 USER MOD Single : A 14 LYS NZ :NH3+ -131:sc= 0.00763 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : A 18 THR OG1 : rot 45:sc= 0.888 USER MOD Single : A 19 SER OG : rot 130:sc= -2.51! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -1.96 (180deg=-2.35) USER MOD Single : A 29 SER OG : rot 1:sc= 0.891 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 54 SER OG : rot 106:sc= 1.25 USER MOD Single : A 58 THR OG1 : rot -82:sc= 0.173 USER MOD Single : A 59 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.6) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.99) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -8.64! C(o=-8.6!,f=-10!) USER MOD Single : A 79 SER OG : rot 141:sc= 0.213 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.148 -1.628 -13.378 1.00 0.00 N ATOM 2 CA GLY A 1 -12.992 -2.684 -12.392 1.00 0.00 C ATOM 3 C GLY A 1 -13.659 -3.977 -12.863 1.00 0.00 C ATOM 4 O GLY A 1 -14.678 -3.939 -13.551 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.458 -0.755 -12.906 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.239 -1.460 -13.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.859 -1.912 -14.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.932 -2.863 -12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.429 -2.369 -11.445 1.00 0.00 H new ATOM 8 N SER A 2 -13.057 -5.092 -12.474 1.00 0.00 N ATOM 9 CA SER A 2 -13.581 -6.395 -12.848 1.00 0.00 C ATOM 10 C SER A 2 -13.155 -7.444 -11.820 1.00 0.00 C ATOM 11 O SER A 2 -12.060 -7.366 -11.264 1.00 0.00 O ATOM 12 CB SER A 2 -13.107 -6.798 -14.246 1.00 0.00 C ATOM 13 OG SER A 2 -13.696 -5.992 -15.262 1.00 0.00 O ATOM 0 H SER A 2 -12.212 -5.120 -11.904 1.00 0.00 H new ATOM 0 HA SER A 2 -14.669 -6.334 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.022 -6.713 -14.299 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.354 -7.845 -14.425 1.00 0.00 H new ATOM 0 HG SER A 2 -14.228 -5.281 -14.848 1.00 0.00 H new ATOM 19 N GLU A 3 -14.042 -8.403 -11.597 1.00 0.00 N ATOM 20 CA GLU A 3 -13.772 -9.467 -10.646 1.00 0.00 C ATOM 21 C GLU A 3 -14.616 -10.700 -10.974 1.00 0.00 C ATOM 22 O GLU A 3 -15.642 -10.594 -11.644 1.00 0.00 O ATOM 23 CB GLU A 3 -14.023 -8.997 -9.212 1.00 0.00 C ATOM 24 CG GLU A 3 -15.273 -8.117 -9.134 1.00 0.00 C ATOM 25 CD GLU A 3 -15.542 -7.673 -7.695 1.00 0.00 C ATOM 26 OE1 GLU A 3 -14.609 -7.096 -7.095 1.00 0.00 O ATOM 27 OE2 GLU A 3 -16.674 -7.920 -7.227 1.00 0.00 O ATOM 0 H GLU A 3 -14.949 -8.465 -12.059 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.720 -9.740 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.141 -9.861 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.158 -8.440 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.146 -7.241 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.133 -8.667 -9.516 1.00 0.00 H new ATOM 34 N GLY A 4 -14.153 -11.842 -10.488 1.00 0.00 N ATOM 35 CA GLY A 4 -14.852 -13.094 -10.721 1.00 0.00 C ATOM 36 C GLY A 4 -15.086 -13.844 -9.409 1.00 0.00 C ATOM 37 O GLY A 4 -14.137 -14.290 -8.767 1.00 0.00 O ATOM 0 H GLY A 4 -13.301 -11.926 -9.933 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.808 -12.896 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.272 -13.717 -11.402 1.00 0.00 H new ATOM 41 N ALA A 5 -16.356 -13.960 -9.049 1.00 0.00 N ATOM 42 CA ALA A 5 -16.727 -14.649 -7.825 1.00 0.00 C ATOM 43 C ALA A 5 -16.093 -13.934 -6.630 1.00 0.00 C ATOM 44 O ALA A 5 -15.200 -13.105 -6.801 1.00 0.00 O ATOM 45 CB ALA A 5 -16.305 -16.117 -7.917 1.00 0.00 C ATOM 0 H ALA A 5 -17.141 -13.588 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.808 -14.629 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.583 -16.634 -6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.805 -16.587 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.225 -16.177 -8.054 1.00 0.00 H new ATOM 51 N ALA A 6 -16.579 -14.281 -5.447 1.00 0.00 N ATOM 52 CA ALA A 6 -16.071 -13.682 -4.225 1.00 0.00 C ATOM 53 C ALA A 6 -15.123 -14.666 -3.536 1.00 0.00 C ATOM 54 O ALA A 6 -15.525 -15.772 -3.176 1.00 0.00 O ATOM 55 CB ALA A 6 -17.243 -13.277 -3.329 1.00 0.00 C ATOM 0 H ALA A 6 -17.319 -14.969 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 6 -15.504 -12.778 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -16.862 -12.828 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -17.870 -12.556 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -17.834 -14.159 -3.082 1.00 0.00 H new ATOM 61 N THR A 7 -13.883 -14.228 -3.373 1.00 0.00 N ATOM 62 CA THR A 7 -12.875 -15.057 -2.733 1.00 0.00 C ATOM 63 C THR A 7 -13.068 -15.056 -1.216 1.00 0.00 C ATOM 64 O THR A 7 -13.532 -14.069 -0.646 1.00 0.00 O ATOM 65 CB THR A 7 -11.500 -14.551 -3.171 1.00 0.00 C ATOM 66 OG1 THR A 7 -11.463 -14.812 -4.572 1.00 0.00 O ATOM 67 CG2 THR A 7 -10.357 -15.396 -2.605 1.00 0.00 C ATOM 0 H THR A 7 -13.553 -13.310 -3.673 1.00 0.00 H new ATOM 0 HA THR A 7 -12.967 -16.099 -3.040 1.00 0.00 H new ATOM 0 HB THR A 7 -11.377 -13.515 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.605 -14.512 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.403 -14.994 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.392 -15.372 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.461 -16.425 -2.949 1.00 0.00 H new ATOM 75 N MET A 8 -12.703 -16.173 -0.604 1.00 0.00 N ATOM 76 CA MET A 8 -12.831 -16.313 0.837 1.00 0.00 C ATOM 77 C MET A 8 -11.646 -15.665 1.557 1.00 0.00 C ATOM 78 O MET A 8 -10.571 -15.513 0.979 1.00 0.00 O ATOM 79 CB MET A 8 -12.901 -17.797 1.201 1.00 0.00 C ATOM 80 CG MET A 8 -14.324 -18.335 1.040 1.00 0.00 C ATOM 81 SD MET A 8 -14.583 -19.718 2.138 1.00 0.00 S ATOM 82 CE MET A 8 -14.195 -21.066 1.034 1.00 0.00 C ATOM 0 H MET A 8 -12.319 -16.989 -1.079 1.00 0.00 H new ATOM 0 HA MET A 8 -13.744 -15.809 1.154 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.220 -18.363 0.565 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.569 -17.939 2.230 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.046 -17.548 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.490 -18.644 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.307 -22.013 1.562 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.873 -21.044 0.181 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.168 -20.965 0.683 1.00 0.00 H new ATOM 92 N SER A 9 -11.883 -15.303 2.809 1.00 0.00 N ATOM 93 CA SER A 9 -10.849 -14.675 3.615 1.00 0.00 C ATOM 94 C SER A 9 -10.053 -13.683 2.765 1.00 0.00 C ATOM 95 O SER A 9 -9.058 -14.052 2.142 1.00 0.00 O ATOM 96 CB SER A 9 -9.914 -15.722 4.224 1.00 0.00 C ATOM 97 OG SER A 9 -9.195 -16.441 3.226 1.00 0.00 O ATOM 0 H SER A 9 -12.776 -15.432 3.285 1.00 0.00 H new ATOM 0 HA SER A 9 -11.331 -14.138 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.209 -15.232 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.495 -16.421 4.826 1.00 0.00 H new ATOM 0 HG SER A 9 -9.164 -15.913 2.401 1.00 0.00 H new ATOM 103 N LYS A 10 -10.520 -12.444 2.766 1.00 0.00 N ATOM 104 CA LYS A 10 -9.864 -11.396 2.002 1.00 0.00 C ATOM 105 C LYS A 10 -9.480 -10.250 2.941 1.00 0.00 C ATOM 106 O LYS A 10 -9.847 -10.256 4.115 1.00 0.00 O ATOM 107 CB LYS A 10 -10.742 -10.960 0.827 1.00 0.00 C ATOM 108 CG LYS A 10 -10.466 -11.816 -0.411 1.00 0.00 C ATOM 109 CD LYS A 10 -11.311 -11.351 -1.599 1.00 0.00 C ATOM 110 CE LYS A 10 -10.467 -11.268 -2.872 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.337 -11.143 -4.063 1.00 0.00 N ATOM 0 H LYS A 10 -11.345 -12.141 3.284 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.940 -11.769 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.793 -11.042 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.554 -9.911 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.408 -11.759 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.685 -12.861 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.140 -12.041 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.745 -10.375 -1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.794 -10.412 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.844 -12.158 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.779 -11.325 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.112 -11.834 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.733 -10.182 -4.105 1.00 0.00 H new ATOM 125 N VAL A 11 -8.747 -9.296 2.388 1.00 0.00 N ATOM 126 CA VAL A 11 -8.309 -8.146 3.162 1.00 0.00 C ATOM 127 C VAL A 11 -8.440 -6.883 2.309 1.00 0.00 C ATOM 128 O VAL A 11 -8.077 -6.883 1.134 1.00 0.00 O ATOM 129 CB VAL A 11 -6.887 -8.374 3.678 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.858 -9.478 4.737 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.930 -8.692 2.528 1.00 0.00 C ATOM 0 H VAL A 11 -8.445 -9.295 1.414 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.942 -8.013 4.040 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.550 -7.450 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.835 -9.620 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.493 -9.194 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.225 -10.408 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.926 -8.850 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.264 -9.594 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.917 -7.859 1.825 1.00 0.00 H new ATOM 141 N SER A 12 -8.960 -5.837 2.934 1.00 0.00 N ATOM 142 CA SER A 12 -9.144 -4.570 2.247 1.00 0.00 C ATOM 143 C SER A 12 -8.147 -3.537 2.777 1.00 0.00 C ATOM 144 O SER A 12 -8.091 -3.284 3.979 1.00 0.00 O ATOM 145 CB SER A 12 -10.576 -4.057 2.410 1.00 0.00 C ATOM 146 OG SER A 12 -10.754 -3.351 3.635 1.00 0.00 O ATOM 0 H SER A 12 -9.260 -5.841 3.909 1.00 0.00 H new ATOM 0 HA SER A 12 -8.963 -4.729 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.824 -3.402 1.575 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.269 -4.898 2.372 1.00 0.00 H new ATOM 0 HG SER A 12 -9.948 -3.442 4.185 1.00 0.00 H new ATOM 152 N PHE A 13 -7.384 -2.970 1.854 1.00 0.00 N ATOM 153 CA PHE A 13 -6.392 -1.971 2.213 1.00 0.00 C ATOM 154 C PHE A 13 -6.862 -0.568 1.825 1.00 0.00 C ATOM 155 O PHE A 13 -7.369 -0.361 0.724 1.00 0.00 O ATOM 156 CB PHE A 13 -5.119 -2.304 1.432 1.00 0.00 C ATOM 157 CG PHE A 13 -4.870 -3.803 1.259 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.503 -4.489 0.270 1.00 0.00 C ATOM 159 CD2 PHE A 13 -4.014 -4.451 2.095 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.271 -5.880 0.109 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.782 -5.843 1.934 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.415 -6.528 0.945 1.00 0.00 C ATOM 0 H PHE A 13 -7.433 -3.184 0.858 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.224 -1.984 3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.177 -1.840 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.265 -1.861 1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.183 -3.975 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.511 -3.907 2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.774 -6.424 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.103 -6.357 2.597 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.238 -7.586 0.823 1.00 0.00 H new ATOM 172 N LYS A 14 -6.677 0.361 2.752 1.00 0.00 N ATOM 173 CA LYS A 14 -7.075 1.739 2.521 1.00 0.00 C ATOM 174 C LYS A 14 -5.825 2.607 2.360 1.00 0.00 C ATOM 175 O LYS A 14 -5.214 3.010 3.348 1.00 0.00 O ATOM 176 CB LYS A 14 -8.017 2.217 3.627 1.00 0.00 C ATOM 177 CG LYS A 14 -8.641 3.568 3.271 1.00 0.00 C ATOM 178 CD LYS A 14 -10.065 3.676 3.818 1.00 0.00 C ATOM 179 CE LYS A 14 -10.784 4.896 3.239 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.250 4.753 3.387 1.00 0.00 N ATOM 0 H LYS A 14 -6.257 0.186 3.665 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.642 1.821 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.804 1.479 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.469 2.302 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.029 4.373 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.653 3.693 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.622 2.771 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.036 3.749 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.448 5.799 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.528 5.010 2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.712 4.957 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.476 3.781 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.593 5.420 4.107 1.00 0.00 H new ATOM 194 N ILE A 15 -5.482 2.869 1.107 1.00 0.00 N ATOM 195 CA ILE A 15 -4.316 3.681 0.804 1.00 0.00 C ATOM 196 C ILE A 15 -4.752 4.916 0.014 1.00 0.00 C ATOM 197 O ILE A 15 -5.816 4.919 -0.604 1.00 0.00 O ATOM 198 CB ILE A 15 -3.249 2.843 0.097 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.892 1.603 0.918 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.016 3.689 -0.229 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.572 0.416 0.008 1.00 0.00 C ATOM 0 H ILE A 15 -5.992 2.533 0.290 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.850 4.038 1.723 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.661 2.494 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.034 1.819 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.722 1.347 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.272 3.070 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.303 4.513 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.594 4.087 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.322 -0.452 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.440 0.187 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.726 0.666 -0.632 1.00 0.00 H new ATOM 213 N THR A 16 -3.908 5.937 0.060 1.00 0.00 N ATOM 214 CA THR A 16 -4.193 7.175 -0.645 1.00 0.00 C ATOM 215 C THR A 16 -2.942 7.676 -1.370 1.00 0.00 C ATOM 216 O THR A 16 -1.897 7.870 -0.752 1.00 0.00 O ATOM 217 CB THR A 16 -4.750 8.178 0.368 1.00 0.00 C ATOM 218 OG1 THR A 16 -5.935 7.556 0.857 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.249 9.463 -0.294 1.00 0.00 C ATOM 0 H THR A 16 -3.027 5.932 0.574 1.00 0.00 H new ATOM 0 HA THR A 16 -4.943 7.024 -1.422 1.00 0.00 H new ATOM 0 HB THR A 16 -3.979 8.422 1.098 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.360 8.138 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.634 10.140 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.426 9.943 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.044 9.223 -1.000 1.00 0.00 H new ATOM 227 N LEU A 17 -3.091 7.870 -2.672 1.00 0.00 N ATOM 228 CA LEU A 17 -1.986 8.344 -3.489 1.00 0.00 C ATOM 229 C LEU A 17 -1.569 9.738 -3.016 1.00 0.00 C ATOM 230 O LEU A 17 -2.407 10.629 -2.884 1.00 0.00 O ATOM 231 CB LEU A 17 -2.353 8.283 -4.973 1.00 0.00 C ATOM 232 CG LEU A 17 -1.545 9.192 -5.902 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.141 8.630 -6.135 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.291 9.436 -7.215 1.00 0.00 C ATOM 0 H LEU A 17 -3.960 7.708 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.119 7.694 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.237 7.254 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.408 8.536 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.427 10.160 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.412 9.295 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.382 8.551 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.215 7.643 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.695 10.085 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.462 8.485 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.249 9.913 -7.006 1.00 0.00 H new ATOM 246 N THR A 18 -0.275 9.882 -2.772 1.00 0.00 N ATOM 247 CA THR A 18 0.263 11.152 -2.316 1.00 0.00 C ATOM 248 C THR A 18 1.028 11.844 -3.446 1.00 0.00 C ATOM 249 O THR A 18 2.229 11.633 -3.608 1.00 0.00 O ATOM 250 CB THR A 18 1.121 10.885 -1.077 1.00 0.00 C ATOM 251 OG1 THR A 18 2.101 9.954 -1.527 1.00 0.00 O ATOM 252 CG2 THR A 18 0.358 10.126 0.011 1.00 0.00 C ATOM 0 H THR A 18 0.417 9.140 -2.881 1.00 0.00 H new ATOM 0 HA THR A 18 -0.534 11.841 -2.035 1.00 0.00 H new ATOM 0 HB THR A 18 1.481 11.832 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.454 10.244 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.012 9.963 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.508 10.710 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.026 9.165 -0.381 1.00 0.00 H new ATOM 260 N SER A 19 0.301 12.657 -4.199 1.00 0.00 N ATOM 261 CA SER A 19 0.895 13.381 -5.309 1.00 0.00 C ATOM 262 C SER A 19 -0.160 14.256 -5.988 1.00 0.00 C ATOM 263 O SER A 19 0.089 15.427 -6.271 1.00 0.00 O ATOM 264 CB SER A 19 1.520 12.420 -6.322 1.00 0.00 C ATOM 265 OG SER A 19 0.677 11.302 -6.588 1.00 0.00 O ATOM 0 H SER A 19 -0.695 12.830 -4.061 1.00 0.00 H new ATOM 0 HA SER A 19 1.688 14.018 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.720 12.953 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.480 12.068 -5.944 1.00 0.00 H new ATOM 0 HG SER A 19 0.579 11.189 -7.557 1.00 0.00 H new ATOM 271 N ASP A 20 -1.315 13.655 -6.230 1.00 0.00 N ATOM 272 CA ASP A 20 -2.409 14.365 -6.870 1.00 0.00 C ATOM 273 C ASP A 20 -2.935 15.444 -5.922 1.00 0.00 C ATOM 274 O ASP A 20 -2.886 15.283 -4.704 1.00 0.00 O ATOM 275 CB ASP A 20 -3.565 13.417 -7.196 1.00 0.00 C ATOM 276 CG ASP A 20 -4.088 13.504 -8.631 1.00 0.00 C ATOM 277 OD1 ASP A 20 -3.333 14.024 -9.480 1.00 0.00 O ATOM 278 OD2 ASP A 20 -5.232 13.049 -8.846 1.00 0.00 O ATOM 0 H ASP A 20 -1.517 12.683 -5.994 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.032 14.804 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.241 12.394 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.388 13.624 -6.512 1.00 0.00 H new ATOM 283 N PRO A 21 -3.440 16.549 -6.533 1.00 0.00 N ATOM 284 CA PRO A 21 -3.975 17.655 -5.757 1.00 0.00 C ATOM 285 C PRO A 21 -5.348 17.305 -5.178 1.00 0.00 C ATOM 286 O PRO A 21 -6.352 17.916 -5.540 1.00 0.00 O ATOM 287 CB PRO A 21 -4.019 18.828 -6.722 1.00 0.00 C ATOM 288 CG PRO A 21 -3.948 18.225 -8.115 1.00 0.00 C ATOM 289 CD PRO A 21 -3.515 16.775 -7.974 1.00 0.00 C ATOM 0 HA PRO A 21 -3.362 17.894 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.934 19.406 -6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.185 19.508 -6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.918 18.287 -8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.240 18.776 -8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.231 16.100 -8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.551 16.601 -8.453 1.00 0.00 H new ATOM 297 N ARG A 22 -5.347 16.323 -4.288 1.00 0.00 N ATOM 298 CA ARG A 22 -6.579 15.885 -3.656 1.00 0.00 C ATOM 299 C ARG A 22 -6.331 14.622 -2.829 1.00 0.00 C ATOM 300 O ARG A 22 -6.955 14.427 -1.786 1.00 0.00 O ATOM 301 CB ARG A 22 -7.662 15.599 -4.699 1.00 0.00 C ATOM 302 CG ARG A 22 -7.109 14.747 -5.844 1.00 0.00 C ATOM 303 CD ARG A 22 -8.079 14.722 -7.026 1.00 0.00 C ATOM 304 NE ARG A 22 -7.618 15.654 -8.080 1.00 0.00 N ATOM 305 CZ ARG A 22 -8.290 15.898 -9.213 1.00 0.00 C ATOM 306 NH1 ARG A 22 -9.455 15.280 -9.448 1.00 0.00 N ATOM 307 NH2 ARG A 22 -7.795 16.759 -10.113 1.00 0.00 N ATOM 0 H ARG A 22 -4.512 15.819 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.921 16.689 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.498 15.083 -4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.049 16.538 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.147 15.145 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.932 13.730 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.149 13.711 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.078 15.002 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.734 16.141 -7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.831 14.623 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.966 15.466 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.907 17.228 -9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.306 16.945 -10.976 1.00 0.00 H new ATOM 321 N LEU A 23 -5.420 13.798 -3.324 1.00 0.00 N ATOM 322 CA LEU A 23 -5.082 12.559 -2.644 1.00 0.00 C ATOM 323 C LEU A 23 -6.307 11.642 -2.626 1.00 0.00 C ATOM 324 O LEU A 23 -6.985 11.525 -1.606 1.00 0.00 O ATOM 325 CB LEU A 23 -4.511 12.850 -1.254 1.00 0.00 C ATOM 326 CG LEU A 23 -3.036 13.251 -1.206 1.00 0.00 C ATOM 327 CD1 LEU A 23 -2.854 14.721 -1.589 1.00 0.00 C ATOM 328 CD2 LEU A 23 -2.426 12.936 0.161 1.00 0.00 C ATOM 0 H LEU A 23 -4.905 13.964 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.295 12.030 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.099 13.648 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.646 11.964 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.497 12.657 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.796 14.980 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.227 14.882 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.409 15.350 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.377 13.231 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.963 13.486 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.503 11.866 0.356 1.00 0.00 H new ATOM 340 N PRO A 24 -6.559 10.998 -3.796 1.00 0.00 N ATOM 341 CA PRO A 24 -7.690 10.094 -3.925 1.00 0.00 C ATOM 342 C PRO A 24 -7.415 8.767 -3.214 1.00 0.00 C ATOM 343 O PRO A 24 -6.262 8.372 -3.053 1.00 0.00 O ATOM 344 CB PRO A 24 -7.898 9.934 -5.422 1.00 0.00 C ATOM 345 CG PRO A 24 -6.598 10.377 -6.073 1.00 0.00 C ATOM 346 CD PRO A 24 -5.778 11.112 -5.025 1.00 0.00 C ATOM 0 HA PRO A 24 -8.592 10.479 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.129 8.899 -5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.735 10.542 -5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.048 9.516 -6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.800 11.027 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.791 10.665 -4.910 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.625 12.155 -5.302 1.00 0.00 H new ATOM 354 N TYR A 25 -8.495 8.116 -2.807 1.00 0.00 N ATOM 355 CA TYR A 25 -8.385 6.842 -2.117 1.00 0.00 C ATOM 356 C TYR A 25 -9.208 5.763 -2.823 1.00 0.00 C ATOM 357 O TYR A 25 -10.183 6.069 -3.507 1.00 0.00 O ATOM 358 CB TYR A 25 -8.959 7.070 -0.717 1.00 0.00 C ATOM 359 CG TYR A 25 -10.484 6.975 -0.647 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.262 8.037 -1.064 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.083 5.828 -0.167 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.697 7.947 -0.998 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.519 5.739 -0.101 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.255 6.803 -0.520 1.00 0.00 C ATOM 365 OH TYR A 25 -14.611 6.719 -0.458 1.00 0.00 O ATOM 0 H TYR A 25 -9.450 8.447 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.348 6.506 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.528 6.337 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.650 8.054 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.794 8.935 -1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.475 4.997 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.317 8.770 -1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.000 4.847 0.273 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.868 5.845 -0.097 1.00 0.00 H new ATOM 375 N LYS A 26 -8.784 4.522 -2.634 1.00 0.00 N ATOM 376 CA LYS A 26 -9.470 3.396 -3.244 1.00 0.00 C ATOM 377 C LYS A 26 -9.336 2.171 -2.338 1.00 0.00 C ATOM 378 O LYS A 26 -8.250 1.879 -1.838 1.00 0.00 O ATOM 379 CB LYS A 26 -8.959 3.166 -4.668 1.00 0.00 C ATOM 380 CG LYS A 26 -7.473 2.801 -4.666 1.00 0.00 C ATOM 381 CD LYS A 26 -7.281 1.284 -4.653 1.00 0.00 C ATOM 382 CE LYS A 26 -5.812 0.915 -4.867 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.207 0.438 -3.603 1.00 0.00 N ATOM 0 H LYS A 26 -7.974 4.272 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.535 3.606 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.532 2.368 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.115 4.065 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.990 3.225 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.988 3.240 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.627 0.878 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.891 0.830 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.733 0.140 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.263 1.782 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.342 -0.100 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.970 1.253 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.883 -0.175 -3.104 1.00 0.00 H new ATOM 397 N VAL A 27 -10.455 1.486 -2.153 1.00 0.00 N ATOM 398 CA VAL A 27 -10.476 0.298 -1.316 1.00 0.00 C ATOM 399 C VAL A 27 -10.222 -0.936 -2.182 1.00 0.00 C ATOM 400 O VAL A 27 -11.025 -1.261 -3.056 1.00 0.00 O ATOM 401 CB VAL A 27 -11.795 0.226 -0.544 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.712 -0.797 0.591 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.195 1.604 -0.011 1.00 0.00 C ATOM 0 H VAL A 27 -11.354 1.731 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.681 0.341 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.570 -0.104 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.663 -0.828 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.495 -1.782 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.919 -0.511 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.136 1.524 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.419 1.975 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.316 2.296 -0.845 1.00 0.00 H new ATOM 413 N LEU A 28 -9.103 -1.591 -1.910 1.00 0.00 N ATOM 414 CA LEU A 28 -8.734 -2.783 -2.654 1.00 0.00 C ATOM 415 C LEU A 28 -9.264 -4.019 -1.925 1.00 0.00 C ATOM 416 O LEU A 28 -9.630 -3.943 -0.753 1.00 0.00 O ATOM 417 CB LEU A 28 -7.224 -2.815 -2.900 1.00 0.00 C ATOM 418 CG LEU A 28 -6.784 -2.940 -4.360 1.00 0.00 C ATOM 419 CD1 LEU A 28 -5.269 -2.778 -4.492 1.00 0.00 C ATOM 420 CD2 LEU A 28 -7.276 -4.255 -4.969 1.00 0.00 C ATOM 0 H LEU A 28 -8.440 -1.319 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.195 -2.773 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.789 -1.905 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.803 -3.651 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.244 -2.130 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.983 -2.871 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.974 -1.796 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.768 -3.551 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.950 -4.320 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.864 -5.093 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.365 -4.290 -4.928 1.00 0.00 H new ATOM 432 N SER A 29 -9.288 -5.129 -2.648 1.00 0.00 N ATOM 433 CA SER A 29 -9.767 -6.380 -2.084 1.00 0.00 C ATOM 434 C SER A 29 -8.976 -7.553 -2.667 1.00 0.00 C ATOM 435 O SER A 29 -9.048 -7.820 -3.865 1.00 0.00 O ATOM 436 CB SER A 29 -11.263 -6.565 -2.348 1.00 0.00 C ATOM 437 OG SER A 29 -11.519 -7.022 -3.673 1.00 0.00 O ATOM 0 H SER A 29 -8.983 -5.188 -3.620 1.00 0.00 H new ATOM 0 HA SER A 29 -9.617 -6.349 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.672 -7.279 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.780 -5.619 -2.185 1.00 0.00 H new ATOM 0 HG SER A 29 -10.670 -7.140 -4.148 1.00 0.00 H new ATOM 443 N VAL A 30 -8.241 -8.222 -1.791 1.00 0.00 N ATOM 444 CA VAL A 30 -7.437 -9.360 -2.203 1.00 0.00 C ATOM 445 C VAL A 30 -7.439 -10.410 -1.089 1.00 0.00 C ATOM 446 O VAL A 30 -7.753 -10.101 0.059 1.00 0.00 O ATOM 447 CB VAL A 30 -6.031 -8.897 -2.586 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.076 -7.553 -3.315 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.124 -8.824 -1.356 1.00 0.00 C ATOM 0 H VAL A 30 -8.185 -7.998 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.863 -9.827 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.610 -9.634 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.063 -7.247 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.671 -7.651 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.526 -6.802 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.130 -8.492 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.541 -8.118 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.054 -9.810 -0.896 1.00 0.00 H new ATOM 459 N PRO A 31 -7.074 -11.661 -1.478 1.00 0.00 N ATOM 460 CA PRO A 31 -7.030 -12.757 -0.526 1.00 0.00 C ATOM 461 C PRO A 31 -5.805 -12.645 0.383 1.00 0.00 C ATOM 462 O PRO A 31 -4.674 -12.586 -0.097 1.00 0.00 O ATOM 463 CB PRO A 31 -7.025 -14.017 -1.377 1.00 0.00 C ATOM 464 CG PRO A 31 -6.598 -13.579 -2.768 1.00 0.00 C ATOM 465 CD PRO A 31 -6.695 -12.063 -2.830 1.00 0.00 C ATOM 0 HA PRO A 31 -7.880 -12.756 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.336 -14.759 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.013 -14.478 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.579 -13.905 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.238 -14.034 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.745 -11.617 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.437 -11.743 -3.561 1.00 0.00 H new ATOM 473 N GLU A 32 -6.071 -12.620 1.681 1.00 0.00 N ATOM 474 CA GLU A 32 -5.005 -12.516 2.662 1.00 0.00 C ATOM 475 C GLU A 32 -3.772 -13.290 2.190 1.00 0.00 C ATOM 476 O GLU A 32 -2.655 -12.780 2.247 1.00 0.00 O ATOM 477 CB GLU A 32 -5.471 -13.009 4.033 1.00 0.00 C ATOM 478 CG GLU A 32 -6.223 -14.336 3.912 1.00 0.00 C ATOM 479 CD GLU A 32 -6.779 -14.777 5.267 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.587 -14.006 5.828 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.382 -15.876 5.713 1.00 0.00 O ATOM 0 H GLU A 32 -7.010 -12.670 2.076 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.733 -11.465 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.611 -13.133 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.118 -12.261 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.039 -14.232 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.554 -15.103 3.523 1.00 0.00 H new ATOM 488 N SER A 33 -4.018 -14.510 1.735 1.00 0.00 N ATOM 489 CA SER A 33 -2.943 -15.360 1.253 1.00 0.00 C ATOM 490 C SER A 33 -1.970 -14.542 0.402 1.00 0.00 C ATOM 491 O SER A 33 -0.771 -14.517 0.675 1.00 0.00 O ATOM 492 CB SER A 33 -3.491 -16.539 0.447 1.00 0.00 C ATOM 493 OG SER A 33 -2.630 -17.673 0.506 1.00 0.00 O ATOM 0 H SER A 33 -4.946 -14.930 1.690 1.00 0.00 H new ATOM 0 HA SER A 33 -2.412 -15.761 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.476 -16.811 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.623 -16.238 -0.592 1.00 0.00 H new ATOM 0 HG SER A 33 -3.016 -18.405 -0.020 1.00 0.00 H new ATOM 499 N THR A 34 -2.523 -13.892 -0.612 1.00 0.00 N ATOM 500 CA THR A 34 -1.719 -13.075 -1.504 1.00 0.00 C ATOM 501 C THR A 34 -0.792 -12.160 -0.701 1.00 0.00 C ATOM 502 O THR A 34 -1.198 -11.596 0.314 1.00 0.00 O ATOM 503 CB THR A 34 -2.668 -12.314 -2.432 1.00 0.00 C ATOM 504 OG1 THR A 34 -2.865 -13.200 -3.531 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.012 -11.082 -3.059 1.00 0.00 C ATOM 0 H THR A 34 -3.518 -13.915 -0.835 1.00 0.00 H new ATOM 0 HA THR A 34 -1.063 -13.691 -2.119 1.00 0.00 H new ATOM 0 HB THR A 34 -3.553 -12.009 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.470 -12.786 -4.181 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.729 -10.579 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.694 -10.399 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.146 -11.389 -3.645 1.00 0.00 H new ATOM 513 N PRO A 35 0.468 -12.040 -1.198 1.00 0.00 N ATOM 514 CA PRO A 35 1.456 -11.204 -0.538 1.00 0.00 C ATOM 515 C PRO A 35 1.177 -9.721 -0.791 1.00 0.00 C ATOM 516 O PRO A 35 0.679 -9.352 -1.853 1.00 0.00 O ATOM 517 CB PRO A 35 2.794 -11.660 -1.096 1.00 0.00 C ATOM 518 CG PRO A 35 2.476 -12.406 -2.382 1.00 0.00 C ATOM 519 CD PRO A 35 0.984 -12.693 -2.397 1.00 0.00 C ATOM 0 HA PRO A 35 1.436 -11.307 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.447 -10.809 -1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.313 -12.306 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.759 -11.809 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.044 -13.335 -2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.514 -12.297 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.787 -13.765 -2.380 1.00 0.00 H new ATOM 527 N PHE A 36 1.510 -8.911 0.203 1.00 0.00 N ATOM 528 CA PHE A 36 1.301 -7.476 0.102 1.00 0.00 C ATOM 529 C PHE A 36 2.119 -6.883 -1.047 1.00 0.00 C ATOM 530 O PHE A 36 1.860 -5.764 -1.485 1.00 0.00 O ATOM 531 CB PHE A 36 1.775 -6.861 1.420 1.00 0.00 C ATOM 532 CG PHE A 36 0.989 -5.619 1.845 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.268 -4.412 1.285 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.010 -5.723 2.784 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.538 -3.260 1.679 1.00 0.00 C ATOM 536 CE2 PHE A 36 -0.720 -4.570 3.179 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.440 -3.363 2.618 1.00 0.00 C ATOM 0 H PHE A 36 1.923 -9.221 1.083 1.00 0.00 H new ATOM 0 HA PHE A 36 0.249 -7.266 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.701 -7.612 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.829 -6.598 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.045 -4.330 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.212 -6.682 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.759 -2.302 1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.497 -4.652 3.925 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.995 -2.486 2.918 1.00 0.00 H new ATOM 547 N THR A 37 3.091 -7.660 -1.502 1.00 0.00 N ATOM 548 CA THR A 37 3.949 -7.226 -2.592 1.00 0.00 C ATOM 549 C THR A 37 3.138 -7.073 -3.880 1.00 0.00 C ATOM 550 O THR A 37 3.430 -6.205 -4.702 1.00 0.00 O ATOM 551 CB THR A 37 5.100 -8.226 -2.714 1.00 0.00 C ATOM 552 OG1 THR A 37 6.143 -7.480 -3.336 1.00 0.00 O ATOM 553 CG2 THR A 37 4.799 -9.347 -3.710 1.00 0.00 C ATOM 0 H THR A 37 3.304 -8.588 -1.136 1.00 0.00 H new ATOM 0 HA THR A 37 4.374 -6.242 -2.394 1.00 0.00 H new ATOM 0 HB THR A 37 5.311 -8.657 -1.735 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.930 -8.052 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.648 -10.029 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.913 -9.893 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.621 -8.919 -4.697 1.00 0.00 H new ATOM 561 N ALA A 38 2.136 -7.929 -4.016 1.00 0.00 N ATOM 562 CA ALA A 38 1.281 -7.899 -5.190 1.00 0.00 C ATOM 563 C ALA A 38 0.374 -6.668 -5.125 1.00 0.00 C ATOM 564 O ALA A 38 -0.015 -6.123 -6.157 1.00 0.00 O ATOM 565 CB ALA A 38 0.487 -9.204 -5.277 1.00 0.00 C ATOM 0 H ALA A 38 1.897 -8.648 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 38 1.879 -7.820 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.155 -9.182 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.176 -10.045 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.127 -9.316 -4.384 1.00 0.00 H new ATOM 571 N VAL A 39 0.062 -6.267 -3.901 1.00 0.00 N ATOM 572 CA VAL A 39 -0.792 -5.111 -3.687 1.00 0.00 C ATOM 573 C VAL A 39 -0.135 -3.876 -4.307 1.00 0.00 C ATOM 574 O VAL A 39 -0.805 -3.067 -4.947 1.00 0.00 O ATOM 575 CB VAL A 39 -1.086 -4.946 -2.195 1.00 0.00 C ATOM 576 CG1 VAL A 39 -1.902 -3.679 -1.934 1.00 0.00 C ATOM 577 CG2 VAL A 39 -1.796 -6.181 -1.637 1.00 0.00 C ATOM 0 H VAL A 39 0.385 -6.722 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.754 -5.250 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.134 -4.843 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.097 -3.586 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.343 -2.809 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.848 -3.738 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.994 -6.038 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.738 -6.328 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.163 -7.058 -1.774 1.00 0.00 H new ATOM 587 N LEU A 40 1.169 -3.769 -4.095 1.00 0.00 N ATOM 588 CA LEU A 40 1.923 -2.646 -4.625 1.00 0.00 C ATOM 589 C LEU A 40 1.630 -2.500 -6.120 1.00 0.00 C ATOM 590 O LEU A 40 1.256 -1.422 -6.580 1.00 0.00 O ATOM 591 CB LEU A 40 3.411 -2.800 -4.302 1.00 0.00 C ATOM 592 CG LEU A 40 4.321 -1.666 -4.778 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.585 -1.768 -6.282 1.00 0.00 C ATOM 594 CD2 LEU A 40 3.748 -0.302 -4.388 1.00 0.00 C ATOM 0 H LEU A 40 1.722 -4.442 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 40 1.611 -1.718 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.520 -2.898 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.764 -3.732 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 40 5.283 -1.767 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.234 -0.950 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.069 -2.720 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.640 -1.707 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.414 0.486 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.766 -0.176 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.655 -0.243 -3.304 1.00 0.00 H new ATOM 606 N LYS A 41 1.811 -3.600 -6.836 1.00 0.00 N ATOM 607 CA LYS A 41 1.571 -3.608 -8.269 1.00 0.00 C ATOM 608 C LYS A 41 0.102 -3.274 -8.537 1.00 0.00 C ATOM 609 O LYS A 41 -0.202 -2.284 -9.202 1.00 0.00 O ATOM 610 CB LYS A 41 2.021 -4.936 -8.880 1.00 0.00 C ATOM 611 CG LYS A 41 1.155 -5.306 -10.086 1.00 0.00 C ATOM 612 CD LYS A 41 1.748 -6.496 -10.843 1.00 0.00 C ATOM 613 CE LYS A 41 0.712 -7.607 -11.018 1.00 0.00 C ATOM 614 NZ LYS A 41 0.738 -8.127 -12.403 1.00 0.00 N ATOM 0 H LYS A 41 2.121 -4.492 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 41 2.168 -2.839 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.065 -4.865 -9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.962 -5.724 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.146 -5.549 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.072 -4.450 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.104 -6.169 -11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.612 -6.882 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.915 -8.416 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.282 -7.225 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.028 -8.881 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.522 -7.356 -13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.682 -8.510 -12.612 1.00 0.00 H new ATOM 628 N PHE A 42 -0.770 -4.118 -8.007 1.00 0.00 N ATOM 629 CA PHE A 42 -2.200 -3.925 -8.181 1.00 0.00 C ATOM 630 C PHE A 42 -2.596 -2.476 -7.892 1.00 0.00 C ATOM 631 O PHE A 42 -3.077 -1.772 -8.779 1.00 0.00 O ATOM 632 CB PHE A 42 -2.900 -4.843 -7.177 1.00 0.00 C ATOM 633 CG PHE A 42 -4.340 -5.196 -7.556 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.222 -4.209 -7.868 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.737 -6.496 -7.580 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.558 -4.537 -8.220 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.073 -6.824 -7.932 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.956 -5.837 -8.245 1.00 0.00 C ATOM 0 H PHE A 42 -0.514 -4.938 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.485 -4.153 -9.208 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.325 -5.764 -7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.900 -4.362 -6.199 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.907 -3.176 -7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.036 -7.279 -7.331 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.259 -3.753 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.388 -7.857 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.972 -6.086 -8.513 1.00 0.00 H new ATOM 648 N ALA A 43 -2.380 -2.073 -6.649 1.00 0.00 N ATOM 649 CA ALA A 43 -2.708 -0.720 -6.232 1.00 0.00 C ATOM 650 C ALA A 43 -2.290 0.262 -7.328 1.00 0.00 C ATOM 651 O ALA A 43 -3.093 1.082 -7.771 1.00 0.00 O ATOM 652 CB ALA A 43 -2.034 -0.420 -4.892 1.00 0.00 C ATOM 0 H ALA A 43 -1.981 -2.660 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.783 -0.614 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.280 0.595 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.387 -1.126 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.953 -0.514 -4.999 1.00 0.00 H new ATOM 658 N ALA A 44 -1.034 0.147 -7.734 1.00 0.00 N ATOM 659 CA ALA A 44 -0.500 1.014 -8.770 1.00 0.00 C ATOM 660 C ALA A 44 -1.495 1.089 -9.930 1.00 0.00 C ATOM 661 O ALA A 44 -2.078 2.142 -10.185 1.00 0.00 O ATOM 662 CB ALA A 44 0.872 0.499 -9.210 1.00 0.00 C ATOM 0 H ALA A 44 -0.371 -0.534 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.361 2.026 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.273 1.150 -9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.550 0.494 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.772 -0.514 -9.600 1.00 0.00 H new ATOM 668 N GLU A 45 -1.657 -0.041 -10.602 1.00 0.00 N ATOM 669 CA GLU A 45 -2.572 -0.116 -11.729 1.00 0.00 C ATOM 670 C GLU A 45 -3.926 0.490 -11.355 1.00 0.00 C ATOM 671 O GLU A 45 -4.599 1.081 -12.198 1.00 0.00 O ATOM 672 CB GLU A 45 -2.731 -1.560 -12.210 1.00 0.00 C ATOM 673 CG GLU A 45 -1.927 -1.803 -13.489 1.00 0.00 C ATOM 674 CD GLU A 45 -2.586 -2.880 -14.354 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.829 -2.828 -14.475 1.00 0.00 O ATOM 676 OE2 GLU A 45 -1.832 -3.730 -14.874 1.00 0.00 O ATOM 0 H GLU A 45 -1.171 -0.912 -10.388 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.153 0.463 -12.552 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.398 -2.246 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.784 -1.773 -12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.848 -0.875 -14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.912 -2.108 -13.233 1.00 0.00 H new ATOM 683 N GLU A 46 -4.285 0.322 -10.091 1.00 0.00 N ATOM 684 CA GLU A 46 -5.547 0.845 -9.595 1.00 0.00 C ATOM 685 C GLU A 46 -5.584 2.368 -9.743 1.00 0.00 C ATOM 686 O GLU A 46 -6.606 2.932 -10.132 1.00 0.00 O ATOM 687 CB GLU A 46 -5.779 0.429 -8.141 1.00 0.00 C ATOM 688 CG GLU A 46 -7.065 -0.389 -8.005 1.00 0.00 C ATOM 689 CD GLU A 46 -8.293 0.523 -7.962 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.322 1.475 -8.772 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.176 0.248 -7.121 1.00 0.00 O ATOM 0 H GLU A 46 -3.724 -0.169 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.354 0.421 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.931 -0.157 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.839 1.316 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.151 -1.081 -8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.023 -0.991 -7.097 1.00 0.00 H new ATOM 698 N PHE A 47 -4.459 2.989 -9.423 1.00 0.00 N ATOM 699 CA PHE A 47 -4.351 4.435 -9.515 1.00 0.00 C ATOM 700 C PHE A 47 -3.763 4.857 -10.863 1.00 0.00 C ATOM 701 O PHE A 47 -3.572 6.045 -11.117 1.00 0.00 O ATOM 702 CB PHE A 47 -3.407 4.885 -8.398 1.00 0.00 C ATOM 703 CG PHE A 47 -4.087 5.053 -7.038 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.774 6.193 -6.757 1.00 0.00 C ATOM 705 CD2 PHE A 47 -4.005 4.062 -6.110 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.406 6.349 -5.495 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.637 4.218 -4.848 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.324 5.358 -4.567 1.00 0.00 C ATOM 0 H PHE A 47 -3.614 2.518 -9.100 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.338 4.888 -9.422 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.601 4.157 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.949 5.832 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.839 6.980 -7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.459 3.157 -6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.952 7.254 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.572 3.431 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.804 5.476 -3.607 1.00 0.00 H new ATOM 718 N LYS A 48 -3.494 3.859 -11.693 1.00 0.00 N ATOM 719 CA LYS A 48 -2.933 4.111 -13.009 1.00 0.00 C ATOM 720 C LYS A 48 -1.529 4.699 -12.856 1.00 0.00 C ATOM 721 O LYS A 48 -1.150 5.612 -13.589 1.00 0.00 O ATOM 722 CB LYS A 48 -3.878 4.984 -13.837 1.00 0.00 C ATOM 723 CG LYS A 48 -5.149 4.218 -14.207 1.00 0.00 C ATOM 724 CD LYS A 48 -5.362 4.209 -15.722 1.00 0.00 C ATOM 725 CE LYS A 48 -6.549 3.322 -16.104 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.771 4.138 -16.281 1.00 0.00 N ATOM 0 H LYS A 48 -3.654 2.875 -11.479 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.830 3.178 -13.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.140 5.879 -13.273 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.372 5.315 -14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.081 3.194 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.009 4.675 -13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.535 5.226 -16.074 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.460 3.849 -16.217 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.327 2.785 -17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.714 2.572 -15.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.567 3.520 -16.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.991 4.631 -15.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.616 4.837 -17.035 1.00 0.00 H new ATOM 740 N VAL A 49 -0.794 4.153 -11.898 1.00 0.00 N ATOM 741 CA VAL A 49 0.560 4.612 -11.639 1.00 0.00 C ATOM 742 C VAL A 49 1.535 3.451 -11.841 1.00 0.00 C ATOM 743 O VAL A 49 1.146 2.287 -11.758 1.00 0.00 O ATOM 744 CB VAL A 49 0.645 5.228 -10.241 1.00 0.00 C ATOM 745 CG1 VAL A 49 -0.338 6.391 -10.093 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.410 4.170 -9.161 1.00 0.00 C ATOM 0 H VAL A 49 -1.111 3.397 -11.292 1.00 0.00 H new ATOM 0 HA VAL A 49 0.839 5.396 -12.343 1.00 0.00 H new ATOM 0 HB VAL A 49 1.652 5.623 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.257 6.811 -9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.104 7.161 -10.828 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.354 6.031 -10.255 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.476 4.634 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.580 3.732 -9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.166 3.390 -9.246 1.00 0.00 H new ATOM 756 N PRO A 50 2.817 3.817 -12.110 1.00 0.00 N ATOM 757 CA PRO A 50 3.851 2.818 -12.324 1.00 0.00 C ATOM 758 C PRO A 50 4.275 2.175 -11.002 1.00 0.00 C ATOM 759 O PRO A 50 4.385 2.856 -9.984 1.00 0.00 O ATOM 760 CB PRO A 50 4.982 3.566 -13.011 1.00 0.00 C ATOM 761 CG PRO A 50 4.734 5.040 -12.739 1.00 0.00 C ATOM 762 CD PRO A 50 3.314 5.185 -12.216 1.00 0.00 C ATOM 0 HA PRO A 50 3.511 1.984 -12.938 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.950 3.254 -12.620 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.991 3.363 -14.082 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.450 5.419 -12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.867 5.624 -13.650 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.297 5.688 -11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.701 5.778 -12.895 1.00 0.00 H new ATOM 770 N ALA A 51 4.501 0.871 -11.061 1.00 0.00 N ATOM 771 CA ALA A 51 4.911 0.129 -9.882 1.00 0.00 C ATOM 772 C ALA A 51 6.438 0.088 -9.815 1.00 0.00 C ATOM 773 O ALA A 51 7.021 -0.934 -9.456 1.00 0.00 O ATOM 774 CB ALA A 51 4.291 -1.270 -9.918 1.00 0.00 C ATOM 0 H ALA A 51 4.408 0.309 -11.907 1.00 0.00 H new ATOM 0 HA ALA A 51 4.555 0.621 -8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.599 -1.827 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.204 -1.186 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.628 -1.794 -10.812 1.00 0.00 H new ATOM 780 N ALA A 52 7.044 1.213 -10.165 1.00 0.00 N ATOM 781 CA ALA A 52 8.493 1.319 -10.149 1.00 0.00 C ATOM 782 C ALA A 52 8.908 2.440 -9.194 1.00 0.00 C ATOM 783 O ALA A 52 9.785 2.251 -8.352 1.00 0.00 O ATOM 784 CB ALA A 52 9.004 1.548 -11.573 1.00 0.00 C ATOM 0 H ALA A 52 6.558 2.059 -10.461 1.00 0.00 H new ATOM 0 HA ALA A 52 8.941 0.394 -9.786 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.091 1.628 -11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.708 0.710 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.577 2.469 -11.969 1.00 0.00 H new ATOM 790 N THR A 53 8.258 3.583 -9.356 1.00 0.00 N ATOM 791 CA THR A 53 8.548 4.735 -8.519 1.00 0.00 C ATOM 792 C THR A 53 7.527 4.840 -7.384 1.00 0.00 C ATOM 793 O THR A 53 7.159 5.940 -6.975 1.00 0.00 O ATOM 794 CB THR A 53 8.589 5.973 -9.416 1.00 0.00 C ATOM 795 OG1 THR A 53 7.287 6.028 -9.993 1.00 0.00 O ATOM 796 CG2 THR A 53 9.522 5.797 -10.616 1.00 0.00 C ATOM 0 H THR A 53 7.531 3.736 -10.055 1.00 0.00 H new ATOM 0 HA THR A 53 9.519 4.636 -8.033 1.00 0.00 H new ATOM 0 HB THR A 53 8.910 6.834 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.226 6.804 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.514 6.705 -11.220 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.535 5.605 -10.264 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.182 4.956 -11.221 1.00 0.00 H new ATOM 804 N SER A 54 7.098 3.680 -6.908 1.00 0.00 N ATOM 805 CA SER A 54 6.127 3.628 -5.829 1.00 0.00 C ATOM 806 C SER A 54 6.601 2.659 -4.744 1.00 0.00 C ATOM 807 O SER A 54 7.394 1.758 -5.015 1.00 0.00 O ATOM 808 CB SER A 54 4.749 3.211 -6.347 1.00 0.00 C ATOM 809 OG SER A 54 4.360 3.963 -7.493 1.00 0.00 O ATOM 0 H SER A 54 7.405 2.769 -7.250 1.00 0.00 H new ATOM 0 HA SER A 54 6.038 4.627 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.761 2.150 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.009 3.344 -5.558 1.00 0.00 H new ATOM 0 HG SER A 54 4.435 3.402 -8.293 1.00 0.00 H new ATOM 815 N ALA A 55 6.097 2.877 -3.539 1.00 0.00 N ATOM 816 CA ALA A 55 6.459 2.035 -2.412 1.00 0.00 C ATOM 817 C ALA A 55 5.438 2.226 -1.288 1.00 0.00 C ATOM 818 O ALA A 55 4.765 3.253 -1.225 1.00 0.00 O ATOM 819 CB ALA A 55 7.885 2.364 -1.966 1.00 0.00 C ATOM 0 H ALA A 55 5.440 3.625 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 55 6.441 0.983 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.157 1.732 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.575 2.183 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.941 3.411 -1.669 1.00 0.00 H new ATOM 825 N ILE A 56 5.356 1.220 -0.430 1.00 0.00 N ATOM 826 CA ILE A 56 4.428 1.264 0.688 1.00 0.00 C ATOM 827 C ILE A 56 5.210 1.479 1.985 1.00 0.00 C ATOM 828 O ILE A 56 6.367 1.076 2.091 1.00 0.00 O ATOM 829 CB ILE A 56 3.545 0.015 0.701 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.526 0.052 -0.440 1.00 0.00 C ATOM 831 CG2 ILE A 56 2.873 -0.167 2.064 1.00 0.00 C ATOM 832 CD1 ILE A 56 2.185 -1.362 -0.916 1.00 0.00 C ATOM 0 H ILE A 56 5.917 0.370 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 56 3.745 2.107 0.584 1.00 0.00 H new ATOM 0 HB ILE A 56 4.181 -0.855 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.619 0.556 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.926 0.633 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.251 -1.062 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.636 -0.271 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.252 0.702 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.459 -1.308 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.090 -1.854 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.763 -1.932 -0.089 1.00 0.00 H new ATOM 844 N ILE A 57 4.546 2.113 2.941 1.00 0.00 N ATOM 845 CA ILE A 57 5.164 2.385 4.227 1.00 0.00 C ATOM 846 C ILE A 57 4.080 2.460 5.304 1.00 0.00 C ATOM 847 O ILE A 57 2.896 2.303 5.009 1.00 0.00 O ATOM 848 CB ILE A 57 6.039 3.638 4.147 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.180 4.898 4.011 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.065 3.519 3.018 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.897 6.115 4.598 1.00 0.00 C ATOM 0 H ILE A 57 3.586 2.446 2.850 1.00 0.00 H new ATOM 0 HA ILE A 57 5.835 1.573 4.506 1.00 0.00 H new ATOM 0 HB ILE A 57 6.596 3.727 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.954 5.077 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.228 4.751 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.674 4.422 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.706 2.656 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.547 3.394 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.266 6.997 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.100 5.943 5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.837 6.274 4.069 1.00 0.00 H new ATOM 863 N THR A 58 4.523 2.700 6.529 1.00 0.00 N ATOM 864 CA THR A 58 3.605 2.798 7.651 1.00 0.00 C ATOM 865 C THR A 58 3.452 4.256 8.090 1.00 0.00 C ATOM 866 O THR A 58 3.946 5.163 7.423 1.00 0.00 O ATOM 867 CB THR A 58 4.117 1.879 8.762 1.00 0.00 C ATOM 868 OG1 THR A 58 5.347 2.474 9.165 1.00 0.00 O ATOM 869 CG2 THR A 58 4.523 0.499 8.241 1.00 0.00 C ATOM 0 H THR A 58 5.506 2.830 6.769 1.00 0.00 H new ATOM 0 HA THR A 58 2.604 2.469 7.373 1.00 0.00 H new ATOM 0 HB THR A 58 3.345 1.766 9.524 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.060 2.198 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.879 -0.113 9.070 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.662 0.017 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.318 0.608 7.503 1.00 0.00 H new ATOM 877 N ASN A 59 2.766 4.434 9.209 1.00 0.00 N ATOM 878 CA ASN A 59 2.542 5.766 9.745 1.00 0.00 C ATOM 879 C ASN A 59 3.687 6.130 10.692 1.00 0.00 C ATOM 880 O ASN A 59 3.574 7.070 11.477 1.00 0.00 O ATOM 881 CB ASN A 59 1.235 5.829 10.538 1.00 0.00 C ATOM 882 CG ASN A 59 1.130 4.656 11.515 1.00 0.00 C ATOM 883 OD1 ASN A 59 1.926 4.502 12.427 1.00 0.00 O ATOM 884 ND2 ASN A 59 0.107 3.841 11.274 1.00 0.00 N ATOM 0 H ASN A 59 2.358 3.678 9.759 1.00 0.00 H new ATOM 0 HA ASN A 59 2.489 6.461 8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.183 6.770 11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.388 5.813 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.049 3.028 11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.522 4.029 10.493 1.00 0.00 H new ATOM 891 N ASP A 60 4.764 5.365 10.587 1.00 0.00 N ATOM 892 CA ASP A 60 5.930 5.595 11.425 1.00 0.00 C ATOM 893 C ASP A 60 7.172 5.718 10.540 1.00 0.00 C ATOM 894 O ASP A 60 8.293 5.525 11.008 1.00 0.00 O ATOM 895 CB ASP A 60 6.151 4.430 12.391 1.00 0.00 C ATOM 896 CG ASP A 60 7.027 4.753 13.604 1.00 0.00 C ATOM 897 OD1 ASP A 60 6.642 5.678 14.351 1.00 0.00 O ATOM 898 OD2 ASP A 60 8.061 4.068 13.756 1.00 0.00 O ATOM 0 H ASP A 60 4.854 4.586 9.935 1.00 0.00 H new ATOM 0 HA ASP A 60 5.762 6.509 11.995 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.181 4.082 12.745 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.605 3.604 11.843 1.00 0.00 H new ATOM 903 N GLY A 61 6.930 6.039 9.277 1.00 0.00 N ATOM 904 CA GLY A 61 8.016 6.191 8.323 1.00 0.00 C ATOM 905 C GLY A 61 8.922 4.958 8.323 1.00 0.00 C ATOM 906 O GLY A 61 10.140 5.078 8.447 1.00 0.00 O ATOM 0 H GLY A 61 5.999 6.198 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.608 6.347 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.601 7.077 8.571 1.00 0.00 H new ATOM 910 N ILE A 62 8.292 3.800 8.183 1.00 0.00 N ATOM 911 CA ILE A 62 9.026 2.546 8.165 1.00 0.00 C ATOM 912 C ILE A 62 8.502 1.670 7.026 1.00 0.00 C ATOM 913 O ILE A 62 7.305 1.399 6.946 1.00 0.00 O ATOM 914 CB ILE A 62 8.968 1.872 9.537 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.979 2.498 10.499 1.00 0.00 C ATOM 916 CG2 ILE A 62 9.156 0.358 9.412 1.00 0.00 C ATOM 917 CD1 ILE A 62 11.383 1.940 10.258 1.00 0.00 C ATOM 0 H ILE A 62 7.282 3.704 8.081 1.00 0.00 H new ATOM 0 HA ILE A 62 10.083 2.725 7.969 1.00 0.00 H new ATOM 0 HB ILE A 62 7.977 2.040 9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.987 3.580 10.370 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.677 2.302 11.528 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.111 -0.097 10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.366 -0.056 8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.125 0.148 8.960 1.00 0.00 H new ATOM 0 HD11 ILE A 62 12.083 2.402 10.955 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.377 0.861 10.411 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.691 2.160 9.236 1.00 0.00 H new ATOM 929 N GLY A 63 9.425 1.251 6.172 1.00 0.00 N ATOM 930 CA GLY A 63 9.071 0.410 5.041 1.00 0.00 C ATOM 931 C GLY A 63 8.288 -0.822 5.497 1.00 0.00 C ATOM 932 O GLY A 63 7.896 -0.918 6.659 1.00 0.00 O ATOM 0 H GLY A 63 10.417 1.478 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.474 0.982 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.975 0.098 4.519 1.00 0.00 H new ATOM 936 N ILE A 64 8.082 -1.734 4.558 1.00 0.00 N ATOM 937 CA ILE A 64 7.353 -2.957 4.849 1.00 0.00 C ATOM 938 C ILE A 64 8.104 -4.148 4.252 1.00 0.00 C ATOM 939 O ILE A 64 8.713 -4.034 3.190 1.00 0.00 O ATOM 940 CB ILE A 64 5.904 -2.842 4.372 1.00 0.00 C ATOM 941 CG1 ILE A 64 5.225 -1.608 4.971 1.00 0.00 C ATOM 942 CG2 ILE A 64 5.126 -4.125 4.670 1.00 0.00 C ATOM 943 CD1 ILE A 64 4.958 -1.800 6.465 1.00 0.00 C ATOM 0 H ILE A 64 8.407 -1.650 3.595 1.00 0.00 H new ATOM 0 HA ILE A 64 7.299 -3.122 5.925 1.00 0.00 H new ATOM 0 HB ILE A 64 5.910 -2.712 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.856 -0.732 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.286 -1.417 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.099 -4.017 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.597 -4.964 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.127 -4.310 5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.475 -0.909 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.307 -2.662 6.610 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.902 -1.966 6.985 1.00 0.00 H new ATOM 955 N ASN A 65 8.037 -5.265 4.962 1.00 0.00 N ATOM 956 CA ASN A 65 8.704 -6.477 4.516 1.00 0.00 C ATOM 957 C ASN A 65 7.654 -7.497 4.072 1.00 0.00 C ATOM 958 O ASN A 65 7.038 -8.161 4.904 1.00 0.00 O ATOM 959 CB ASN A 65 9.523 -7.103 5.646 1.00 0.00 C ATOM 960 CG ASN A 65 10.989 -7.262 5.237 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.375 -8.209 4.572 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.781 -6.285 5.671 1.00 0.00 N ATOM 0 H ASN A 65 7.531 -5.356 5.843 1.00 0.00 H new ATOM 0 HA ASN A 65 9.368 -6.213 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.456 -6.479 6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.107 -8.076 5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.777 -6.300 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.392 -5.521 6.224 1.00 0.00 H new ATOM 969 N PRO A 66 7.478 -7.592 2.727 1.00 0.00 N ATOM 970 CA PRO A 66 6.513 -8.521 2.162 1.00 0.00 C ATOM 971 C PRO A 66 7.031 -9.959 2.231 1.00 0.00 C ATOM 972 O PRO A 66 7.031 -10.671 1.228 1.00 0.00 O ATOM 973 CB PRO A 66 6.288 -8.038 0.739 1.00 0.00 C ATOM 974 CG PRO A 66 7.474 -7.145 0.410 1.00 0.00 C ATOM 975 CD PRO A 66 8.189 -6.822 1.711 1.00 0.00 C ATOM 0 HA PRO A 66 5.574 -8.540 2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.227 -8.878 0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.350 -7.488 0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.150 -7.647 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.139 -6.230 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.241 -7.104 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.154 -5.754 1.927 1.00 0.00 H new ATOM 983 N ALA A 67 7.459 -10.343 3.424 1.00 0.00 N ATOM 984 CA ALA A 67 7.978 -11.683 3.637 1.00 0.00 C ATOM 985 C ALA A 67 6.822 -12.625 3.983 1.00 0.00 C ATOM 986 O ALA A 67 6.984 -13.844 3.967 1.00 0.00 O ATOM 987 CB ALA A 67 9.049 -11.649 4.730 1.00 0.00 C ATOM 0 H ALA A 67 7.457 -9.749 4.254 1.00 0.00 H new ATOM 0 HA ALA A 67 8.450 -12.060 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.438 -12.655 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.861 -10.990 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.611 -11.278 5.657 1.00 0.00 H new ATOM 993 N GLN A 68 5.682 -12.023 4.287 1.00 0.00 N ATOM 994 CA GLN A 68 4.499 -12.792 4.635 1.00 0.00 C ATOM 995 C GLN A 68 3.332 -12.413 3.722 1.00 0.00 C ATOM 996 O GLN A 68 3.474 -11.562 2.847 1.00 0.00 O ATOM 997 CB GLN A 68 4.131 -12.594 6.107 1.00 0.00 C ATOM 998 CG GLN A 68 4.245 -11.122 6.508 1.00 0.00 C ATOM 999 CD GLN A 68 5.569 -10.850 7.226 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.035 -11.631 8.039 1.00 0.00 O ATOM 1001 NE2 GLN A 68 6.145 -9.703 6.881 1.00 0.00 N ATOM 0 H GLN A 68 5.552 -11.011 4.300 1.00 0.00 H new ATOM 0 HA GLN A 68 4.720 -13.849 4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.114 -12.944 6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.788 -13.197 6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.172 -10.493 5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.413 -10.853 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.700 -9.096 6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.032 -9.430 7.304 1.00 0.00 H new ATOM 1010 N THR A 69 2.202 -13.064 3.959 1.00 0.00 N ATOM 1011 CA THR A 69 1.010 -12.807 3.169 1.00 0.00 C ATOM 1012 C THR A 69 0.474 -11.402 3.455 1.00 0.00 C ATOM 1013 O THR A 69 0.645 -10.881 4.556 1.00 0.00 O ATOM 1014 CB THR A 69 -0.002 -13.915 3.464 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.368 -13.698 4.824 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.637 -15.305 3.468 1.00 0.00 C ATOM 0 H THR A 69 2.087 -13.769 4.687 1.00 0.00 H new ATOM 0 HA THR A 69 1.231 -12.826 2.102 1.00 0.00 H new ATOM 0 HB THR A 69 -0.800 -13.884 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.320 -14.075 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.124 -16.055 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.079 -15.505 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.413 -15.347 4.233 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.164 -10.830 2.444 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.726 -9.496 2.573 1.00 0.00 C ATOM 1026 C ALA A 70 -1.544 -9.415 3.864 1.00 0.00 C ATOM 1027 O ALA A 70 -1.393 -8.473 4.640 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.560 -9.171 1.333 1.00 0.00 C ATOM 0 H ALA A 70 -0.304 -11.266 1.532 1.00 0.00 H new ATOM 0 HA ALA A 70 0.066 -8.750 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.981 -8.170 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.927 -9.214 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.367 -9.897 1.237 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.392 -10.415 4.053 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.234 -10.468 5.236 1.00 0.00 C ATOM 1036 C GLY A 71 -2.389 -10.485 6.510 1.00 0.00 C ATOM 1037 O GLY A 71 -2.880 -10.159 7.590 1.00 0.00 O ATOM 0 H GLY A 71 -2.514 -11.195 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.902 -9.607 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.862 -11.358 5.200 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.131 -10.868 6.343 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.213 -10.932 7.467 1.00 0.00 C ATOM 1043 C ASN A 72 0.578 -9.625 7.548 1.00 0.00 C ATOM 1044 O ASN A 72 1.168 -9.315 8.583 1.00 0.00 O ATOM 1045 CB ASN A 72 0.786 -12.079 7.298 1.00 0.00 C ATOM 1046 CG ASN A 72 0.292 -13.344 8.001 1.00 0.00 C ATOM 1047 OD1 ASN A 72 0.820 -13.768 9.016 1.00 0.00 O ATOM 1048 ND2 ASN A 72 -0.749 -13.922 7.408 1.00 0.00 N ATOM 0 H ASN A 72 -0.727 -11.137 5.446 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.799 -11.094 8.372 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.935 -12.283 6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.754 -11.786 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.153 -14.772 7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.144 -13.515 6.560 1.00 0.00 H new ATOM 1055 N VAL A 73 0.565 -8.893 6.444 1.00 0.00 N ATOM 1056 CA VAL A 73 1.274 -7.626 6.378 1.00 0.00 C ATOM 1057 C VAL A 73 0.312 -6.490 6.732 1.00 0.00 C ATOM 1058 O VAL A 73 0.655 -5.602 7.512 1.00 0.00 O ATOM 1059 CB VAL A 73 1.916 -7.458 4.999 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.343 -6.007 4.767 1.00 0.00 C ATOM 1061 CG2 VAL A 73 3.100 -8.412 4.826 1.00 0.00 C ATOM 0 H VAL A 73 0.075 -9.153 5.588 1.00 0.00 H new ATOM 0 HA VAL A 73 2.086 -7.603 7.105 1.00 0.00 H new ATOM 0 HB VAL A 73 1.168 -7.712 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.796 -5.914 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.470 -5.357 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.067 -5.715 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.538 -8.272 3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.850 -8.203 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.756 -9.441 4.928 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.872 -6.554 6.142 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.885 -5.541 6.385 1.00 0.00 C ATOM 1073 C PHE A 74 -2.431 -5.643 7.811 1.00 0.00 C ATOM 1074 O PHE A 74 -3.096 -4.727 8.292 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.024 -5.801 5.397 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.213 -6.551 6.000 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.014 -7.728 6.652 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.468 -6.041 5.884 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.118 -8.425 7.212 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.572 -6.738 6.444 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.373 -7.915 7.096 1.00 0.00 C ATOM 0 H PHE A 74 -1.153 -7.292 5.496 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.455 -4.547 6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.372 -4.847 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.636 -6.373 4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.017 -8.133 6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.626 -5.106 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.960 -9.360 7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.569 -6.333 6.352 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.212 -8.445 7.522 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.128 -6.765 8.447 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.579 -6.998 9.809 1.00 0.00 C ATOM 1093 C LEU A 75 -1.516 -6.496 10.787 1.00 0.00 C ATOM 1094 O LEU A 75 -1.791 -5.634 11.620 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.950 -8.470 10.005 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.664 -8.812 11.314 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.183 -8.799 11.131 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -3.166 -10.145 11.878 1.00 0.00 C ATOM 0 H LEU A 75 -1.576 -7.523 8.045 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.489 -6.434 10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.587 -8.777 9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.039 -9.065 9.945 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.422 -8.041 12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.666 -9.045 12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.502 -7.808 10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.465 -9.534 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.689 -10.365 12.809 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.358 -10.940 11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.095 -10.081 12.071 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.323 -7.058 10.655 1.00 0.00 N ATOM 1111 CA LYS A 76 0.783 -6.678 11.517 1.00 0.00 C ATOM 1112 C LYS A 76 1.015 -5.170 11.407 1.00 0.00 C ATOM 1113 O LYS A 76 0.954 -4.454 12.406 1.00 0.00 O ATOM 1114 CB LYS A 76 2.023 -7.516 11.198 1.00 0.00 C ATOM 1115 CG LYS A 76 3.228 -6.620 10.902 1.00 0.00 C ATOM 1116 CD LYS A 76 4.523 -7.435 10.876 1.00 0.00 C ATOM 1117 CE LYS A 76 5.350 -7.188 12.139 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.671 -6.618 11.790 1.00 0.00 N ATOM 0 H LYS A 76 -0.098 -7.774 9.964 1.00 0.00 H new ATOM 0 HA LYS A 76 0.544 -6.889 12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.250 -8.171 12.039 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.822 -8.157 10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.088 -6.122 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.300 -5.839 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.288 -8.496 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.108 -7.168 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.817 -6.507 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.483 -8.123 12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.220 -6.456 12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.184 -7.281 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.539 -5.715 11.291 1.00 0.00 H new ATOM 1132 N HIS A 77 1.276 -4.731 10.184 1.00 0.00 N ATOM 1133 CA HIS A 77 1.517 -3.321 9.931 1.00 0.00 C ATOM 1134 C HIS A 77 0.194 -2.555 9.991 1.00 0.00 C ATOM 1135 O HIS A 77 0.105 -1.512 10.637 1.00 0.00 O ATOM 1136 CB HIS A 77 2.256 -3.125 8.605 1.00 0.00 C ATOM 1137 CG HIS A 77 3.669 -3.658 8.606 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.757 -2.896 8.993 1.00 0.00 N ATOM 1139 CD2 HIS A 77 4.159 -4.883 8.262 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.848 -3.639 8.884 1.00 0.00 C ATOM 1141 NE2 HIS A 77 5.476 -4.870 8.430 1.00 0.00 N ATOM 0 H HIS A 77 1.326 -5.327 9.358 1.00 0.00 H new ATOM 0 HA HIS A 77 2.167 -2.915 10.706 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.694 -3.616 7.811 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.280 -2.061 8.368 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.575 -5.721 7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.855 -3.325 9.114 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.106 -5.652 8.249 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.801 -3.102 9.308 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.115 -2.483 9.275 1.00 0.00 C ATOM 1151 C GLY A 78 -2.566 -2.229 7.835 1.00 0.00 C ATOM 1152 O GLY A 78 -1.740 -2.150 6.927 1.00 0.00 O ATOM 0 H GLY A 78 -0.723 -3.967 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.837 -3.127 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.091 -1.542 9.824 1.00 0.00 H new ATOM 1156 N SER A 79 -3.875 -2.108 7.671 1.00 0.00 N ATOM 1157 CA SER A 79 -4.445 -1.864 6.357 1.00 0.00 C ATOM 1158 C SER A 79 -4.236 -0.402 5.959 1.00 0.00 C ATOM 1159 O SER A 79 -3.850 -0.112 4.827 1.00 0.00 O ATOM 1160 CB SER A 79 -5.935 -2.214 6.329 1.00 0.00 C ATOM 1161 OG SER A 79 -6.673 -1.337 5.484 1.00 0.00 O ATOM 0 H SER A 79 -4.557 -2.174 8.426 1.00 0.00 H new ATOM 0 HA SER A 79 -3.935 -2.506 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.060 -3.240 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.338 -2.167 7.341 1.00 0.00 H new ATOM 0 HG SER A 79 -7.348 -1.849 4.991 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.500 0.481 6.911 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.346 1.907 6.673 1.00 0.00 C ATOM 1169 C GLU A 80 -2.868 2.256 6.487 1.00 0.00 C ATOM 1170 O GLU A 80 -2.111 2.306 7.455 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.963 2.722 7.811 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.491 2.646 7.775 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.117 3.860 8.464 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.827 4.041 9.667 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.871 4.578 7.774 1.00 0.00 O ATOM 0 H GLU A 80 -4.819 0.237 7.848 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.878 2.163 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.599 2.349 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.645 3.762 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.832 2.595 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.825 1.732 8.267 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.502 2.491 5.235 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.128 2.835 4.909 1.00 0.00 C ATOM 1184 C LEU A 81 -1.119 3.844 3.759 1.00 0.00 C ATOM 1185 O LEU A 81 -2.136 4.046 3.098 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.313 1.572 4.626 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.703 0.327 5.426 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.342 -0.950 4.665 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.082 0.357 6.824 1.00 0.00 C ATOM 0 H LEU A 81 -3.133 2.450 4.435 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.643 3.316 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.399 1.339 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.737 1.790 4.821 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.785 0.329 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.630 -1.819 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.871 -0.968 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.733 -0.974 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.375 -0.539 7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.004 0.392 6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.432 1.240 7.359 1.00 0.00 H new ATOM 1201 N ARG A 82 0.041 4.451 3.557 1.00 0.00 N ATOM 1202 CA ARG A 82 0.196 5.434 2.498 1.00 0.00 C ATOM 1203 C ARG A 82 1.209 4.943 1.462 1.00 0.00 C ATOM 1204 O ARG A 82 2.168 4.253 1.804 1.00 0.00 O ATOM 1205 CB ARG A 82 0.663 6.779 3.060 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.437 7.435 3.897 1.00 0.00 C ATOM 1207 CD ARG A 82 0.128 7.992 5.205 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.809 7.721 6.317 1.00 0.00 N ATOM 1209 CZ ARG A 82 -0.673 8.220 7.553 1.00 0.00 C ATOM 1210 NH1 ARG A 82 0.363 9.020 7.842 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -1.572 7.920 8.500 1.00 0.00 N ATOM 0 H ARG A 82 0.882 4.281 4.108 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.777 5.568 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.552 6.632 3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.946 7.441 2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.903 8.239 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.217 6.705 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.096 7.537 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.293 9.065 5.111 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.609 7.116 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.047 9.249 7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.467 9.400 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.360 7.311 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.468 8.300 9.441 1.00 0.00 H new ATOM 1225 N ILE A 83 0.961 5.318 0.216 1.00 0.00 N ATOM 1226 CA ILE A 83 1.840 4.924 -0.873 1.00 0.00 C ATOM 1227 C ILE A 83 2.761 6.093 -1.227 1.00 0.00 C ATOM 1228 O ILE A 83 2.303 7.122 -1.723 1.00 0.00 O ATOM 1229 CB ILE A 83 1.024 4.403 -2.058 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.894 3.564 -2.996 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.331 5.552 -2.794 1.00 0.00 C ATOM 1232 CD1 ILE A 83 1.034 2.794 -4.000 1.00 0.00 C ATOM 0 H ILE A 83 0.165 5.890 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 83 2.479 4.096 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 83 0.242 3.749 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.589 4.212 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.493 2.864 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.242 5.154 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.340 6.071 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.081 6.250 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.677 2.206 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.357 2.129 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.454 3.498 -4.598 1.00 0.00 H new ATOM 1244 N ILE A 84 4.044 5.896 -0.959 1.00 0.00 N ATOM 1245 CA ILE A 84 5.033 6.921 -1.243 1.00 0.00 C ATOM 1246 C ILE A 84 5.899 6.475 -2.423 1.00 0.00 C ATOM 1247 O ILE A 84 6.009 5.282 -2.701 1.00 0.00 O ATOM 1248 CB ILE A 84 5.836 7.255 0.016 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.682 6.060 0.460 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.919 7.756 1.134 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.164 6.296 0.163 1.00 0.00 C ATOM 0 H ILE A 84 4.421 5.042 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 84 4.544 7.850 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 84 6.525 8.065 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.544 5.889 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.344 5.160 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.515 7.986 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.399 8.655 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.189 6.984 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.742 5.431 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.302 6.442 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.505 7.183 0.697 1.00 0.00 H new ATOM 1263 N PRO A 85 6.506 7.484 -3.104 1.00 0.00 N ATOM 1264 CA PRO A 85 7.359 7.207 -4.248 1.00 0.00 C ATOM 1265 C PRO A 85 8.711 6.648 -3.802 1.00 0.00 C ATOM 1266 O PRO A 85 9.340 7.186 -2.892 1.00 0.00 O ATOM 1267 CB PRO A 85 7.477 8.534 -4.980 1.00 0.00 C ATOM 1268 CG PRO A 85 7.075 9.602 -3.976 1.00 0.00 C ATOM 1269 CD PRO A 85 6.398 8.908 -2.804 1.00 0.00 C ATOM 0 HA PRO A 85 6.947 6.440 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.495 8.695 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.827 8.556 -5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.950 10.157 -3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.399 10.323 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.889 9.153 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.356 9.215 -2.710 1.00 0.00 H new ATOM 1277 N ARG A 86 9.118 5.574 -4.463 1.00 0.00 N ATOM 1278 CA ARG A 86 10.384 4.936 -4.146 1.00 0.00 C ATOM 1279 C ARG A 86 11.493 5.478 -5.051 1.00 0.00 C ATOM 1280 O ARG A 86 11.795 4.891 -6.089 1.00 0.00 O ATOM 1281 CB ARG A 86 10.294 3.418 -4.316 1.00 0.00 C ATOM 1282 CG ARG A 86 11.113 2.696 -3.245 1.00 0.00 C ATOM 1283 CD ARG A 86 11.691 1.387 -3.785 1.00 0.00 C ATOM 1284 NE ARG A 86 11.168 0.243 -3.005 1.00 0.00 N ATOM 1285 CZ ARG A 86 11.744 -0.966 -2.967 1.00 0.00 C ATOM 1286 NH1 ARG A 86 12.865 -1.197 -3.665 1.00 0.00 N ATOM 1287 NH2 ARG A 86 11.199 -1.945 -2.232 1.00 0.00 N ATOM 0 H ARG A 86 8.593 5.130 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 86 10.617 5.161 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.252 3.103 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.655 3.137 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.922 3.342 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.484 2.490 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.429 1.271 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.779 1.409 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 86 10.316 0.384 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.280 -0.452 -4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.303 -2.118 -3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.346 -1.770 -1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.638 -2.865 -2.203 1.00 0.00 H new ATOM 1301 N ASP A 87 12.070 6.591 -4.623 1.00 0.00 N ATOM 1302 CA ASP A 87 13.139 7.219 -5.381 1.00 0.00 C ATOM 1303 C ASP A 87 14.368 7.380 -4.484 1.00 0.00 C ATOM 1304 O ASP A 87 14.388 8.235 -3.600 1.00 0.00 O ATOM 1305 CB ASP A 87 12.725 8.608 -5.870 1.00 0.00 C ATOM 1306 CG ASP A 87 11.591 8.622 -6.897 1.00 0.00 C ATOM 1307 OD1 ASP A 87 11.911 8.483 -8.097 1.00 0.00 O ATOM 1308 OD2 ASP A 87 10.430 8.770 -6.458 1.00 0.00 O ATOM 0 H ASP A 87 11.818 7.074 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 87 13.360 6.586 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.422 9.204 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.596 9.097 -6.306 1.00 0.00 H new ATOM 1313 N ARG A 88 15.363 6.544 -4.743 1.00 0.00 N ATOM 1314 CA ARG A 88 16.593 6.583 -3.970 1.00 0.00 C ATOM 1315 C ARG A 88 16.323 6.170 -2.521 1.00 0.00 C ATOM 1316 O ARG A 88 16.104 7.021 -1.660 1.00 0.00 O ATOM 1317 CB ARG A 88 17.211 7.983 -3.987 1.00 0.00 C ATOM 1318 CG ARG A 88 18.686 7.926 -4.388 1.00 0.00 C ATOM 1319 CD ARG A 88 19.576 7.684 -3.167 1.00 0.00 C ATOM 1320 NE ARG A 88 20.879 8.362 -3.349 1.00 0.00 N ATOM 1321 CZ ARG A 88 21.777 8.539 -2.370 1.00 0.00 C ATOM 1322 NH1 ARG A 88 21.518 8.090 -1.134 1.00 0.00 N ATOM 1323 NH2 ARG A 88 22.933 9.166 -2.626 1.00 0.00 N ATOM 0 H ARG A 88 15.343 5.836 -5.477 1.00 0.00 H new ATOM 0 HA ARG A 88 17.293 5.884 -4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.665 8.617 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.116 8.439 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 88 18.838 7.130 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.972 8.860 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.085 8.057 -2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.730 6.614 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 88 21.108 8.717 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 88 20.638 7.614 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 88 22.201 8.225 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 88 23.130 9.509 -3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 88 23.616 9.301 -1.881 1.00 0.00 H new ATOM 1337 N VAL A 89 16.346 4.865 -2.297 1.00 0.00 N ATOM 1338 CA VAL A 89 16.107 4.329 -0.968 1.00 0.00 C ATOM 1339 C VAL A 89 16.326 2.815 -0.986 1.00 0.00 C ATOM 1340 O VAL A 89 15.423 2.049 -0.652 1.00 0.00 O ATOM 1341 CB VAL A 89 14.708 4.725 -0.489 1.00 0.00 C ATOM 1342 CG1 VAL A 89 13.630 4.146 -1.407 1.00 0.00 C ATOM 1343 CG2 VAL A 89 14.484 4.293 0.962 1.00 0.00 C ATOM 0 H VAL A 89 16.527 4.162 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 89 16.813 4.751 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 89 14.634 5.812 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.646 4.442 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.773 4.524 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.702 3.058 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.483 4.586 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.587 3.211 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 89 15.222 4.774 1.603 1.00 0.00 H new ATOM 1353 N GLY A 90 17.531 2.429 -1.379 1.00 0.00 N ATOM 1354 CA GLY A 90 17.881 1.020 -1.445 1.00 0.00 C ATOM 1355 C GLY A 90 17.850 0.382 -0.054 1.00 0.00 C ATOM 1356 O GLY A 90 17.124 0.840 0.827 1.00 0.00 O ATOM 0 H GLY A 90 18.277 3.067 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.186 0.499 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.875 0.908 -1.878 1.00 0.00 H new ATOM 1360 N SER A 91 18.647 -0.666 0.099 1.00 0.00 N ATOM 1361 CA SER A 91 18.720 -1.371 1.367 1.00 0.00 C ATOM 1362 C SER A 91 19.990 -2.222 1.420 1.00 0.00 C ATOM 1363 O SER A 91 20.388 -2.813 0.418 1.00 0.00 O ATOM 1364 CB SER A 91 17.484 -2.248 1.581 1.00 0.00 C ATOM 1365 OG SER A 91 17.032 -2.212 2.932 1.00 0.00 O ATOM 0 H SER A 91 19.247 -1.043 -0.634 1.00 0.00 H new ATOM 0 HA SER A 91 18.752 -0.632 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.683 -1.913 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.716 -3.276 1.304 1.00 0.00 H new ATOM 0 HG SER A 91 16.241 -2.783 3.028 1.00 0.00 H new ATOM 1371 N CYS A 92 20.592 -2.257 2.600 1.00 0.00 N ATOM 1372 CA CYS A 92 21.809 -3.025 2.797 1.00 0.00 C ATOM 1373 C CYS A 92 21.994 -3.256 4.298 1.00 0.00 C ATOM 1374 O CYS A 92 21.178 -3.922 4.933 1.00 0.00 O ATOM 1375 CB CYS A 92 23.022 -2.333 2.172 1.00 0.00 C ATOM 1376 SG CYS A 92 23.346 -0.747 3.025 1.00 0.00 S ATOM 0 H CYS A 92 20.259 -1.765 3.429 1.00 0.00 H new ATOM 0 HA CYS A 92 21.721 -3.986 2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 92 23.897 -2.979 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 92 22.843 -2.155 1.112 1.00 0.00 H new ATOM 0 HG CYS A 92 24.379 -0.169 2.488 1.00 0.00 H new TER 1382 CYS A 92