USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 798 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 48 LYS NZ :NH3+ 159:sc= 1.56 (180deg=0.587) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 32 CYS SG : rot 95:sc= -0.741! USER MOD Set 2.2: A 35 CYS SG : rot 80:sc= -1.27! USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= -0.125 (180deg=-0.678) USER MOD Single : A 4 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.263) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -0.0247 (180deg=-0.273) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0621) USER MOD Single : A 43 HIS : no HE2:sc= 0.148 K(o=0.15,f=-4.6!) USER MOD Single : A 44 SER OG : rot -74:sc= 0.383 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 51 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.29) USER MOD Single : A 62 CYS SG : rot -12:sc= 0.338 USER MOD Single : A 63 GLN : amide:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 67 SER OG : rot -18:sc= 0.433! USER MOD Single : A 69 CYS SG : rot 140:sc= 0.127 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0211 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 76 THR OG1 : rot 115:sc= 0.874 USER MOD Single : A 78 GLN : amide:sc= -2.71 K(o=-2.7,f=-8!) USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -0.0178 (180deg=-0.642) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.69) USER MOD Single : A 85 LYS NZ :NH3+ -131:sc= -0.805 (180deg=-2.57!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.37) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 1.77 (180deg=1.19) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 93:sc= 0.305 USER MOD Single : A 102 ASN : amide:sc= -0.0686 K(o=-0.069,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.830 -0.715 8.845 1.00 0.65 N ATOM 21 CA VAL A 2 -3.461 -0.596 8.257 1.00 0.51 C ATOM 22 C VAL A 2 -2.548 -1.686 8.825 1.00 0.60 C ATOM 23 O VAL A 2 -2.663 -2.056 9.976 1.00 0.86 O ATOM 24 CB VAL A 2 -2.887 0.777 8.592 1.00 0.61 C ATOM 25 CG1 VAL A 2 -1.500 0.905 7.965 1.00 0.65 C ATOM 26 CG2 VAL A 2 -3.795 1.859 8.009 1.00 0.48 C ATOM 0 HA VAL A 2 -3.523 -0.715 7.175 1.00 0.51 H new ATOM 0 HB VAL A 2 -2.820 0.893 9.674 1.00 0.61 H new ATOM 0 HG11 VAL A 2 -1.083 1.884 8.200 1.00 0.65 H new ATOM 0 HG12 VAL A 2 -0.848 0.128 8.363 1.00 0.65 H new ATOM 0 HG13 VAL A 2 -1.578 0.794 6.883 1.00 0.65 H new ATOM 0 HG21 VAL A 2 -3.388 2.842 8.246 1.00 0.48 H new ATOM 0 HG22 VAL A 2 -3.852 1.742 6.927 1.00 0.48 H new ATOM 0 HG23 VAL A 2 -4.793 1.766 8.437 1.00 0.48 H new ATOM 36 N LYS A 3 -1.660 -2.176 7.998 1.00 0.39 N ATOM 37 CA LYS A 3 -0.726 -3.248 8.459 1.00 0.47 C ATOM 38 C LYS A 3 0.703 -2.937 8.002 1.00 0.39 C ATOM 39 O LYS A 3 0.923 -2.530 6.878 1.00 0.30 O ATOM 40 CB LYS A 3 -1.171 -4.583 7.863 1.00 0.51 C ATOM 41 CG LYS A 3 -0.879 -5.705 8.862 1.00 0.80 C ATOM 42 CD LYS A 3 -1.092 -7.055 8.173 1.00 1.27 C ATOM 43 CE LYS A 3 -0.643 -8.175 9.113 1.00 1.07 C ATOM 44 NZ LYS A 3 -1.195 -7.962 10.480 1.00 0.95 N ATOM 0 H LYS A 3 -1.541 -1.882 7.028 1.00 0.39 H new ATOM 0 HA LYS A 3 -0.744 -3.299 9.548 1.00 0.47 H new ATOM 0 HB2 LYS A 3 -2.236 -4.554 7.632 1.00 0.51 H new ATOM 0 HB3 LYS A 3 -0.646 -4.769 6.926 1.00 0.51 H new ATOM 0 HG2 LYS A 3 0.145 -5.626 9.227 1.00 0.80 H new ATOM 0 HG3 LYS A 3 -1.534 -5.617 9.729 1.00 0.80 H new ATOM 0 HD2 LYS A 3 -2.143 -7.182 7.912 1.00 1.27 H new ATOM 0 HD3 LYS A 3 -0.525 -7.096 7.243 1.00 1.27 H new ATOM 0 HE2 LYS A 3 -0.976 -9.138 8.726 1.00 1.07 H new ATOM 0 HE3 LYS A 3 0.446 -8.208 9.155 1.00 1.07 H new ATOM 0 HZ1 LYS A 3 -1.195 -8.863 10.999 1.00 0.95 H new ATOM 0 HZ2 LYS A 3 -0.607 -7.270 10.988 1.00 0.95 H new ATOM 0 HZ3 LYS A 3 -2.169 -7.603 10.409 1.00 0.95 H new ATOM 58 N GLN A 4 1.645 -3.133 8.884 1.00 0.44 N ATOM 59 CA GLN A 4 3.065 -2.853 8.516 1.00 0.44 C ATOM 60 C GLN A 4 3.761 -4.144 8.074 1.00 0.33 C ATOM 61 O GLN A 4 3.619 -5.175 8.703 1.00 0.34 O ATOM 62 CB GLN A 4 3.791 -2.272 9.728 1.00 0.61 C ATOM 63 CG GLN A 4 5.250 -1.998 9.354 1.00 0.68 C ATOM 64 CD GLN A 4 5.825 -0.941 10.298 1.00 0.86 C ATOM 65 OE1 GLN A 4 6.690 -1.218 11.105 1.00 1.56 O ATOM 66 NE2 GLN A 4 5.373 0.281 10.231 1.00 1.22 N ATOM 0 H GLN A 4 1.497 -3.471 9.835 1.00 0.44 H new ATOM 0 HA GLN A 4 3.088 -2.140 7.692 1.00 0.44 H new ATOM 0 HB2 GLN A 4 3.306 -1.351 10.051 1.00 0.61 H new ATOM 0 HB3 GLN A 4 3.742 -2.968 10.565 1.00 0.61 H new ATOM 0 HG2 GLN A 4 5.833 -2.917 9.420 1.00 0.68 H new ATOM 0 HG3 GLN A 4 5.314 -1.654 8.322 1.00 0.68 H new ATOM 0 HE21 GLN A 4 4.647 0.520 9.556 1.00 1.22 H new ATOM 0 HE22 GLN A 4 5.746 0.998 10.854 1.00 1.22 H new ATOM 75 N ILE A 5 4.501 -4.062 7.001 1.00 0.29 N ATOM 76 CA ILE A 5 5.214 -5.276 6.506 1.00 0.22 C ATOM 77 C ILE A 5 6.652 -5.290 7.039 1.00 0.22 C ATOM 78 O ILE A 5 7.092 -4.343 7.661 1.00 0.26 O ATOM 79 CB ILE A 5 5.234 -5.250 4.970 1.00 0.29 C ATOM 80 CG1 ILE A 5 3.804 -5.006 4.442 1.00 0.28 C ATOM 81 CG2 ILE A 5 5.784 -6.586 4.426 1.00 0.32 C ATOM 82 CD1 ILE A 5 2.836 -6.041 5.034 1.00 0.21 C ATOM 0 H ILE A 5 4.642 -3.215 6.450 1.00 0.29 H new ATOM 0 HA ILE A 5 4.699 -6.171 6.855 1.00 0.22 H new ATOM 0 HB ILE A 5 5.883 -4.443 4.630 1.00 0.29 H new ATOM 0 HG12 ILE A 5 3.478 -4.000 4.706 1.00 0.28 H new ATOM 0 HG13 ILE A 5 3.795 -5.069 3.354 1.00 0.28 H new ATOM 0 HG21 ILE A 5 5.794 -6.558 3.336 1.00 0.32 H new ATOM 0 HG22 ILE A 5 6.798 -6.739 4.795 1.00 0.32 H new ATOM 0 HG23 ILE A 5 5.148 -7.405 4.762 1.00 0.32 H new ATOM 0 HD11 ILE A 5 1.831 -5.858 4.654 1.00 0.21 H new ATOM 0 HD12 ILE A 5 3.155 -7.043 4.748 1.00 0.21 H new ATOM 0 HD13 ILE A 5 2.834 -5.957 6.121 1.00 0.21 H new ATOM 94 N GLU A 6 7.351 -6.366 6.784 1.00 0.20 N ATOM 95 CA GLU A 6 8.763 -6.464 7.267 1.00 0.20 C ATOM 96 C GLU A 6 9.654 -7.063 6.174 1.00 0.32 C ATOM 97 O GLU A 6 10.779 -6.643 5.987 1.00 0.45 O ATOM 98 CB GLU A 6 8.804 -7.357 8.506 1.00 0.22 C ATOM 99 CG GLU A 6 10.221 -7.905 8.684 1.00 1.40 C ATOM 100 CD GLU A 6 10.415 -8.344 10.138 1.00 1.61 C ATOM 101 OE1 GLU A 6 9.791 -9.331 10.493 1.00 1.52 O ATOM 102 OE2 GLU A 6 11.174 -7.667 10.810 1.00 2.40 O ATOM 0 H GLU A 6 7.009 -7.176 6.266 1.00 0.20 H new ATOM 0 HA GLU A 6 9.131 -5.468 7.514 1.00 0.20 H new ATOM 0 HB2 GLU A 6 8.507 -6.790 9.388 1.00 0.22 H new ATOM 0 HB3 GLU A 6 8.094 -8.178 8.401 1.00 0.22 H new ATOM 0 HG2 GLU A 6 10.384 -8.748 8.013 1.00 1.40 H new ATOM 0 HG3 GLU A 6 10.954 -7.142 8.422 1.00 1.40 H new ATOM 109 N SER A 7 9.133 -8.035 5.476 1.00 0.34 N ATOM 110 CA SER A 7 9.937 -8.673 4.393 1.00 0.54 C ATOM 111 C SER A 7 9.010 -9.308 3.351 1.00 0.43 C ATOM 112 O SER A 7 7.820 -9.065 3.344 1.00 0.39 O ATOM 113 CB SER A 7 10.834 -9.749 5.003 1.00 0.69 C ATOM 114 OG SER A 7 9.945 -10.817 5.296 1.00 0.76 O ATOM 0 H SER A 7 8.194 -8.413 5.606 1.00 0.34 H new ATOM 0 HA SER A 7 10.548 -7.914 3.904 1.00 0.54 H new ATOM 0 HB2 SER A 7 11.614 -10.059 4.307 1.00 0.69 H new ATOM 0 HB3 SER A 7 11.334 -9.388 5.902 1.00 0.69 H new ATOM 0 HG SER A 7 10.446 -11.559 5.694 1.00 0.76 H new ATOM 120 N LYS A 8 9.576 -10.111 2.492 1.00 0.39 N ATOM 121 CA LYS A 8 8.739 -10.771 1.446 1.00 0.29 C ATOM 122 C LYS A 8 7.958 -11.932 2.054 1.00 0.17 C ATOM 123 O LYS A 8 6.792 -12.123 1.766 1.00 0.05 O ATOM 124 CB LYS A 8 9.648 -11.291 0.333 1.00 0.37 C ATOM 125 CG LYS A 8 8.790 -11.944 -0.754 1.00 0.26 C ATOM 126 CD LYS A 8 9.582 -11.979 -2.062 1.00 1.07 C ATOM 127 CE LYS A 8 9.057 -13.117 -2.938 1.00 1.10 C ATOM 128 NZ LYS A 8 7.581 -13.007 -3.107 1.00 2.60 N ATOM 0 H LYS A 8 10.570 -10.338 2.467 1.00 0.39 H new ATOM 0 HA LYS A 8 8.033 -10.047 1.039 1.00 0.29 H new ATOM 0 HB2 LYS A 8 10.230 -10.472 -0.090 1.00 0.37 H new ATOM 0 HB3 LYS A 8 10.359 -12.013 0.735 1.00 0.37 H new ATOM 0 HG2 LYS A 8 8.511 -12.955 -0.456 1.00 0.26 H new ATOM 0 HG3 LYS A 8 7.864 -11.384 -0.890 1.00 0.26 H new ATOM 0 HD2 LYS A 8 9.486 -11.027 -2.585 1.00 1.07 H new ATOM 0 HD3 LYS A 8 10.642 -12.123 -1.855 1.00 1.07 H new ATOM 0 HE2 LYS A 8 9.544 -13.088 -3.913 1.00 1.10 H new ATOM 0 HE3 LYS A 8 9.307 -14.077 -2.486 1.00 1.10 H new ATOM 0 HZ1 LYS A 8 7.284 -13.563 -3.934 1.00 2.60 H new ATOM 0 HZ2 LYS A 8 7.106 -13.371 -2.256 1.00 2.60 H new ATOM 0 HZ3 LYS A 8 7.321 -12.010 -3.249 1.00 2.60 H new ATOM 142 N THR A 9 8.617 -12.678 2.881 1.00 0.30 N ATOM 143 CA THR A 9 7.941 -13.834 3.528 1.00 0.34 C ATOM 144 C THR A 9 6.646 -13.372 4.189 1.00 0.28 C ATOM 145 O THR A 9 5.658 -14.079 4.204 1.00 0.33 O ATOM 146 CB THR A 9 8.874 -14.434 4.583 1.00 0.51 C ATOM 147 OG1 THR A 9 10.004 -14.895 3.849 1.00 0.54 O ATOM 148 CG2 THR A 9 8.271 -15.682 5.222 1.00 0.61 C ATOM 0 H THR A 9 9.594 -12.542 3.140 1.00 0.30 H new ATOM 0 HA THR A 9 7.706 -14.587 2.776 1.00 0.34 H new ATOM 0 HB THR A 9 9.082 -13.696 5.357 1.00 0.51 H new ATOM 0 HG1 THR A 9 10.653 -15.295 4.465 1.00 0.54 H new ATOM 0 HG21 THR A 9 8.962 -16.080 5.966 1.00 0.61 H new ATOM 0 HG22 THR A 9 7.328 -15.425 5.704 1.00 0.61 H new ATOM 0 HG23 THR A 9 8.092 -16.434 4.454 1.00 0.61 H new ATOM 156 N ALA A 10 6.688 -12.191 4.722 1.00 0.23 N ATOM 157 CA ALA A 10 5.483 -11.639 5.391 1.00 0.17 C ATOM 158 C ALA A 10 4.509 -11.080 4.353 1.00 0.17 C ATOM 159 O ALA A 10 3.338 -11.404 4.359 1.00 0.17 O ATOM 160 CB ALA A 10 5.909 -10.522 6.330 1.00 0.18 C ATOM 0 H ALA A 10 7.505 -11.581 4.725 1.00 0.23 H new ATOM 0 HA ALA A 10 4.987 -12.433 5.949 1.00 0.17 H new ATOM 0 HB1 ALA A 10 5.031 -10.109 6.827 1.00 0.18 H new ATOM 0 HB2 ALA A 10 6.596 -10.918 7.078 1.00 0.18 H new ATOM 0 HB3 ALA A 10 6.406 -9.737 5.760 1.00 0.18 H new ATOM 166 N PHE A 11 5.021 -10.242 3.491 1.00 0.19 N ATOM 167 CA PHE A 11 4.156 -9.638 2.435 1.00 0.21 C ATOM 168 C PHE A 11 3.202 -10.691 1.866 1.00 0.24 C ATOM 169 O PHE A 11 2.107 -10.378 1.440 1.00 0.31 O ATOM 170 CB PHE A 11 5.052 -9.103 1.317 1.00 0.18 C ATOM 171 CG PHE A 11 4.190 -8.481 0.216 1.00 0.15 C ATOM 172 CD1 PHE A 11 3.458 -7.332 0.462 1.00 0.14 C ATOM 173 CD2 PHE A 11 4.133 -9.059 -1.041 1.00 0.16 C ATOM 174 CE1 PHE A 11 2.683 -6.772 -0.534 1.00 0.14 C ATOM 175 CE2 PHE A 11 3.357 -8.496 -2.034 1.00 0.16 C ATOM 176 CZ PHE A 11 2.633 -7.354 -1.780 1.00 0.16 C ATOM 0 H PHE A 11 5.998 -9.950 3.472 1.00 0.19 H new ATOM 0 HA PHE A 11 3.566 -8.829 2.866 1.00 0.21 H new ATOM 0 HB2 PHE A 11 5.742 -8.359 1.716 1.00 0.18 H new ATOM 0 HB3 PHE A 11 5.657 -9.911 0.905 1.00 0.18 H new ATOM 0 HD1 PHE A 11 3.493 -6.871 1.438 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.699 -9.956 -1.246 1.00 0.16 H new ATOM 0 HE1 PHE A 11 2.115 -5.875 -0.335 1.00 0.14 H new ATOM 0 HE2 PHE A 11 3.318 -8.953 -3.012 1.00 0.16 H new ATOM 0 HZ PHE A 11 2.026 -6.915 -2.558 1.00 0.16 H new ATOM 186 N GLN A 12 3.641 -11.918 1.871 1.00 0.20 N ATOM 187 CA GLN A 12 2.772 -13.010 1.336 1.00 0.24 C ATOM 188 C GLN A 12 1.679 -13.361 2.344 1.00 0.27 C ATOM 189 O GLN A 12 0.554 -13.638 1.980 1.00 0.25 O ATOM 190 CB GLN A 12 3.628 -14.244 1.058 1.00 0.21 C ATOM 191 CG GLN A 12 4.117 -14.202 -0.390 1.00 0.43 C ATOM 192 CD GLN A 12 2.978 -14.625 -1.321 1.00 0.79 C ATOM 193 OE1 GLN A 12 2.516 -13.858 -2.142 1.00 1.73 O ATOM 194 NE2 GLN A 12 2.499 -15.834 -1.225 1.00 1.39 N ATOM 0 H GLN A 12 4.554 -12.213 2.218 1.00 0.20 H new ATOM 0 HA GLN A 12 2.301 -12.671 0.413 1.00 0.24 H new ATOM 0 HB2 GLN A 12 4.477 -14.273 1.740 1.00 0.21 H new ATOM 0 HB3 GLN A 12 3.048 -15.150 1.232 1.00 0.21 H new ATOM 0 HG2 GLN A 12 4.455 -13.197 -0.643 1.00 0.43 H new ATOM 0 HG3 GLN A 12 4.972 -14.867 -0.517 1.00 0.43 H new ATOM 0 HE21 GLN A 12 2.883 -16.482 -0.537 1.00 1.39 H new ATOM 0 HE22 GLN A 12 1.740 -16.132 -1.838 1.00 1.39 H new ATOM 203 N GLU A 13 2.041 -13.338 3.588 1.00 0.48 N ATOM 204 CA GLU A 13 1.049 -13.672 4.652 1.00 0.55 C ATOM 205 C GLU A 13 -0.022 -12.582 4.749 1.00 0.49 C ATOM 206 O GLU A 13 -1.186 -12.869 4.943 1.00 0.46 O ATOM 207 CB GLU A 13 1.774 -13.791 5.990 1.00 0.67 C ATOM 208 CG GLU A 13 2.778 -14.942 5.918 1.00 0.25 C ATOM 209 CD GLU A 13 3.258 -15.284 7.329 1.00 1.13 C ATOM 210 OE1 GLU A 13 3.552 -14.340 8.044 1.00 2.17 O ATOM 211 OE2 GLU A 13 3.306 -16.469 7.613 1.00 1.16 O ATOM 0 H GLU A 13 2.976 -13.104 3.921 1.00 0.48 H new ATOM 0 HA GLU A 13 0.565 -14.616 4.402 1.00 0.55 H new ATOM 0 HB2 GLU A 13 2.288 -12.858 6.223 1.00 0.67 H new ATOM 0 HB3 GLU A 13 1.057 -13.968 6.791 1.00 0.67 H new ATOM 0 HG2 GLU A 13 2.315 -15.815 5.457 1.00 0.25 H new ATOM 0 HG3 GLU A 13 3.625 -14.662 5.291 1.00 0.25 H new ATOM 218 N ALA A 14 0.393 -11.353 4.613 1.00 0.50 N ATOM 219 CA ALA A 14 -0.592 -10.237 4.700 1.00 0.46 C ATOM 220 C ALA A 14 -1.691 -10.429 3.653 1.00 0.39 C ATOM 221 O ALA A 14 -2.862 -10.287 3.943 1.00 0.36 O ATOM 222 CB ALA A 14 0.126 -8.912 4.454 1.00 0.46 C ATOM 0 H ALA A 14 1.360 -11.074 4.447 1.00 0.50 H new ATOM 0 HA ALA A 14 -1.045 -10.230 5.692 1.00 0.46 H new ATOM 0 HB1 ALA A 14 -0.590 -8.093 4.517 1.00 0.46 H new ATOM 0 HB2 ALA A 14 0.902 -8.774 5.207 1.00 0.46 H new ATOM 0 HB3 ALA A 14 0.579 -8.922 3.463 1.00 0.46 H new ATOM 228 N LEU A 15 -1.288 -10.749 2.456 1.00 0.38 N ATOM 229 CA LEU A 15 -2.295 -10.960 1.378 1.00 0.34 C ATOM 230 C LEU A 15 -3.064 -12.258 1.632 1.00 0.38 C ATOM 231 O LEU A 15 -4.065 -12.526 0.997 1.00 0.37 O ATOM 232 CB LEU A 15 -1.574 -11.046 0.033 1.00 0.32 C ATOM 233 CG LEU A 15 -0.738 -9.779 -0.179 1.00 0.26 C ATOM 234 CD1 LEU A 15 -0.022 -9.872 -1.526 1.00 0.30 C ATOM 235 CD2 LEU A 15 -1.655 -8.553 -0.187 1.00 0.32 C ATOM 0 H LEU A 15 -0.314 -10.873 2.178 1.00 0.38 H new ATOM 0 HA LEU A 15 -2.999 -10.127 1.368 1.00 0.34 H new ATOM 0 HB2 LEU A 15 -0.932 -11.927 0.008 1.00 0.32 H new ATOM 0 HB3 LEU A 15 -2.298 -11.156 -0.774 1.00 0.32 H new ATOM 0 HG LEU A 15 -0.010 -9.686 0.627 1.00 0.26 H new ATOM 0 HD11 LEU A 15 0.575 -8.974 -1.684 1.00 0.30 H new ATOM 0 HD12 LEU A 15 0.629 -10.746 -1.532 1.00 0.30 H new ATOM 0 HD13 LEU A 15 -0.759 -9.963 -2.324 1.00 0.30 H new ATOM 0 HD21 LEU A 15 -1.058 -7.653 -0.338 1.00 0.32 H new ATOM 0 HD22 LEU A 15 -2.381 -8.647 -0.995 1.00 0.32 H new ATOM 0 HD23 LEU A 15 -2.180 -8.485 0.766 1.00 0.32 H new ATOM 247 N ASP A 16 -2.579 -13.035 2.558 1.00 0.46 N ATOM 248 CA ASP A 16 -3.270 -14.318 2.876 1.00 0.53 C ATOM 249 C ASP A 16 -4.230 -14.113 4.047 1.00 0.54 C ATOM 250 O ASP A 16 -5.165 -14.868 4.230 1.00 0.58 O ATOM 251 CB ASP A 16 -2.228 -15.372 3.242 1.00 0.64 C ATOM 252 CG ASP A 16 -2.576 -16.689 2.543 1.00 0.49 C ATOM 253 OD1 ASP A 16 -3.438 -17.372 3.073 1.00 1.01 O ATOM 254 OD2 ASP A 16 -1.960 -16.937 1.520 1.00 1.76 O ATOM 0 H ASP A 16 -1.741 -12.841 3.106 1.00 0.46 H new ATOM 0 HA ASP A 16 -3.837 -14.651 2.007 1.00 0.53 H new ATOM 0 HB2 ASP A 16 -1.235 -15.038 2.941 1.00 0.64 H new ATOM 0 HB3 ASP A 16 -2.203 -15.516 4.322 1.00 0.64 H new ATOM 259 N ALA A 17 -3.973 -13.090 4.811 1.00 0.53 N ATOM 260 CA ALA A 17 -4.855 -12.792 5.980 1.00 0.56 C ATOM 261 C ALA A 17 -5.747 -11.592 5.655 1.00 0.56 C ATOM 262 O ALA A 17 -6.511 -11.135 6.483 1.00 0.70 O ATOM 263 CB ALA A 17 -3.985 -12.467 7.194 1.00 0.57 C ATOM 0 H ALA A 17 -3.193 -12.446 4.680 1.00 0.53 H new ATOM 0 HA ALA A 17 -5.481 -13.658 6.198 1.00 0.56 H new ATOM 0 HB1 ALA A 17 -4.623 -12.249 8.051 1.00 0.57 H new ATOM 0 HB2 ALA A 17 -3.348 -13.321 7.424 1.00 0.57 H new ATOM 0 HB3 ALA A 17 -3.363 -11.599 6.974 1.00 0.57 H new ATOM 269 N ALA A 18 -5.627 -11.109 4.448 1.00 0.40 N ATOM 270 CA ALA A 18 -6.451 -9.937 4.034 1.00 0.39 C ATOM 271 C ALA A 18 -7.752 -10.409 3.376 1.00 0.42 C ATOM 272 O ALA A 18 -8.391 -9.666 2.657 1.00 0.42 O ATOM 273 CB ALA A 18 -5.653 -9.099 3.037 1.00 0.30 C ATOM 0 H ALA A 18 -4.997 -11.473 3.733 1.00 0.40 H new ATOM 0 HA ALA A 18 -6.698 -9.341 4.913 1.00 0.39 H new ATOM 0 HB1 ALA A 18 -6.247 -8.239 2.727 1.00 0.30 H new ATOM 0 HB2 ALA A 18 -4.732 -8.754 3.507 1.00 0.30 H new ATOM 0 HB3 ALA A 18 -5.410 -9.705 2.164 1.00 0.30 H new ATOM 279 N GLY A 19 -8.117 -11.634 3.635 1.00 0.75 N ATOM 280 CA GLY A 19 -9.369 -12.166 3.029 1.00 0.82 C ATOM 281 C GLY A 19 -9.256 -12.180 1.504 1.00 0.65 C ATOM 282 O GLY A 19 -8.445 -12.893 0.946 1.00 0.78 O ATOM 0 H GLY A 19 -7.608 -12.284 4.234 1.00 0.75 H new ATOM 0 HA2 GLY A 19 -9.558 -13.175 3.396 1.00 0.82 H new ATOM 0 HA3 GLY A 19 -10.217 -11.552 3.332 1.00 0.82 H new ATOM 286 N ASP A 20 -10.072 -11.390 0.860 1.00 0.45 N ATOM 287 CA ASP A 20 -10.022 -11.345 -0.632 1.00 0.43 C ATOM 288 C ASP A 20 -10.545 -9.997 -1.140 1.00 0.40 C ATOM 289 O ASP A 20 -10.859 -9.851 -2.304 1.00 1.01 O ATOM 290 CB ASP A 20 -10.885 -12.472 -1.196 1.00 0.69 C ATOM 291 CG ASP A 20 -10.083 -13.775 -1.187 1.00 1.87 C ATOM 292 OD1 ASP A 20 -9.143 -13.837 -1.962 1.00 2.61 O ATOM 293 OD2 ASP A 20 -10.456 -14.633 -0.405 1.00 2.59 O ATOM 0 H ASP A 20 -10.764 -10.780 1.295 1.00 0.45 H new ATOM 0 HA ASP A 20 -8.990 -11.468 -0.960 1.00 0.43 H new ATOM 0 HB2 ASP A 20 -11.791 -12.585 -0.600 1.00 0.69 H new ATOM 0 HB3 ASP A 20 -11.199 -12.232 -2.212 1.00 0.69 H new ATOM 298 N LYS A 21 -10.626 -9.042 -0.255 1.00 0.22 N ATOM 299 CA LYS A 21 -11.123 -7.699 -0.670 1.00 0.36 C ATOM 300 C LYS A 21 -9.975 -6.875 -1.259 1.00 0.32 C ATOM 301 O LYS A 21 -8.839 -7.305 -1.261 1.00 0.31 O ATOM 302 CB LYS A 21 -11.697 -6.981 0.550 1.00 0.53 C ATOM 303 CG LYS A 21 -12.807 -7.840 1.159 1.00 0.55 C ATOM 304 CD LYS A 21 -12.384 -8.289 2.558 1.00 0.54 C ATOM 305 CE LYS A 21 -13.419 -9.278 3.099 1.00 0.85 C ATOM 306 NZ LYS A 21 -14.748 -8.618 3.238 1.00 1.58 N ATOM 0 H LYS A 21 -10.372 -9.131 0.729 1.00 0.22 H new ATOM 0 HA LYS A 21 -11.897 -7.817 -1.428 1.00 0.36 H new ATOM 0 HB2 LYS A 21 -10.912 -6.803 1.286 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -12.091 -6.006 0.262 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -13.736 -7.272 1.212 1.00 0.55 H new ATOM 0 HG3 LYS A 21 -12.999 -8.708 0.528 1.00 0.55 H new ATOM 0 HD2 LYS A 21 -11.400 -8.756 2.522 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -12.304 -7.428 3.221 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -13.499 -10.133 2.428 1.00 0.85 H new ATOM 0 HE3 LYS A 21 -13.094 -9.661 4.066 1.00 0.85 H new ATOM 0 HZ1 LYS A 21 -15.373 -9.214 3.818 1.00 1.58 H new ATOM 0 HZ2 LYS A 21 -14.629 -7.692 3.696 1.00 1.58 H new ATOM 0 HZ3 LYS A 21 -15.171 -8.487 2.297 1.00 1.58 H new ATOM 320 N LEU A 22 -10.293 -5.709 -1.752 1.00 0.31 N ATOM 321 CA LEU A 22 -9.224 -4.851 -2.341 1.00 0.28 C ATOM 322 C LEU A 22 -8.085 -4.668 -1.330 1.00 0.24 C ATOM 323 O LEU A 22 -8.325 -4.436 -0.160 1.00 0.28 O ATOM 324 CB LEU A 22 -9.824 -3.474 -2.689 1.00 0.34 C ATOM 325 CG LEU A 22 -9.735 -3.181 -4.202 1.00 0.64 C ATOM 326 CD1 LEU A 22 -8.270 -2.934 -4.594 1.00 1.64 C ATOM 327 CD2 LEU A 22 -10.312 -4.355 -5.013 1.00 1.92 C ATOM 0 H LEU A 22 -11.234 -5.316 -1.773 1.00 0.31 H new ATOM 0 HA LEU A 22 -8.830 -5.326 -3.240 1.00 0.28 H new ATOM 0 HB2 LEU A 22 -10.866 -3.440 -2.372 1.00 0.34 H new ATOM 0 HB3 LEU A 22 -9.297 -2.697 -2.136 1.00 0.34 H new ATOM 0 HG LEU A 22 -10.321 -2.290 -4.425 1.00 0.64 H new ATOM 0 HD11 LEU A 22 -8.209 -2.727 -5.662 1.00 1.64 H new ATOM 0 HD12 LEU A 22 -7.883 -2.081 -4.037 1.00 1.64 H new ATOM 0 HD13 LEU A 22 -7.677 -3.818 -4.361 1.00 1.64 H new ATOM 0 HD21 LEU A 22 -10.241 -4.131 -6.077 1.00 1.92 H new ATOM 0 HD22 LEU A 22 -9.747 -5.261 -4.794 1.00 1.92 H new ATOM 0 HD23 LEU A 22 -11.357 -4.505 -4.743 1.00 1.92 H new ATOM 339 N VAL A 23 -6.868 -4.779 -1.810 1.00 0.18 N ATOM 340 CA VAL A 23 -5.689 -4.613 -0.901 1.00 0.19 C ATOM 341 C VAL A 23 -4.711 -3.607 -1.527 1.00 0.18 C ATOM 342 O VAL A 23 -3.997 -3.933 -2.456 1.00 0.19 O ATOM 343 CB VAL A 23 -4.998 -5.990 -0.732 1.00 0.17 C ATOM 344 CG1 VAL A 23 -4.285 -6.089 0.629 1.00 0.30 C ATOM 345 CG2 VAL A 23 -6.051 -7.100 -0.810 1.00 0.22 C ATOM 0 H VAL A 23 -6.642 -4.976 -2.785 1.00 0.18 H new ATOM 0 HA VAL A 23 -6.007 -4.242 0.073 1.00 0.19 H new ATOM 0 HB VAL A 23 -4.261 -6.099 -1.528 1.00 0.17 H new ATOM 0 HG11 VAL A 23 -3.809 -7.065 0.720 1.00 0.30 H new ATOM 0 HG12 VAL A 23 -3.528 -5.308 0.701 1.00 0.30 H new ATOM 0 HG13 VAL A 23 -5.013 -5.964 1.431 1.00 0.30 H new ATOM 0 HG21 VAL A 23 -5.567 -8.069 -0.691 1.00 0.22 H new ATOM 0 HG22 VAL A 23 -6.785 -6.961 -0.016 1.00 0.22 H new ATOM 0 HG23 VAL A 23 -6.551 -7.060 -1.778 1.00 0.22 H new ATOM 355 N VAL A 24 -4.696 -2.404 -1.004 1.00 0.17 N ATOM 356 CA VAL A 24 -3.784 -1.358 -1.583 1.00 0.17 C ATOM 357 C VAL A 24 -2.518 -1.194 -0.737 1.00 0.16 C ATOM 358 O VAL A 24 -2.591 -0.957 0.451 1.00 0.33 O ATOM 359 CB VAL A 24 -4.523 -0.026 -1.634 1.00 0.20 C ATOM 360 CG1 VAL A 24 -3.581 1.043 -2.187 1.00 0.19 C ATOM 361 CG2 VAL A 24 -5.735 -0.153 -2.557 1.00 0.27 C ATOM 0 H VAL A 24 -5.265 -2.101 -0.214 1.00 0.17 H new ATOM 0 HA VAL A 24 -3.491 -1.674 -2.584 1.00 0.17 H new ATOM 0 HB VAL A 24 -4.854 0.251 -0.633 1.00 0.20 H new ATOM 0 HG11 VAL A 24 -4.101 2.000 -2.227 1.00 0.19 H new ATOM 0 HG12 VAL A 24 -2.709 1.131 -1.539 1.00 0.19 H new ATOM 0 HG13 VAL A 24 -3.260 0.762 -3.190 1.00 0.19 H new ATOM 0 HG21 VAL A 24 -6.265 0.799 -2.595 1.00 0.27 H new ATOM 0 HG22 VAL A 24 -5.402 -0.423 -3.559 1.00 0.27 H new ATOM 0 HG23 VAL A 24 -6.403 -0.925 -2.176 1.00 0.27 H new ATOM 371 N VAL A 25 -1.380 -1.297 -1.382 1.00 0.09 N ATOM 372 CA VAL A 25 -0.090 -1.152 -0.637 1.00 0.08 C ATOM 373 C VAL A 25 0.488 0.250 -0.826 1.00 0.08 C ATOM 374 O VAL A 25 0.317 0.861 -1.863 1.00 0.09 O ATOM 375 CB VAL A 25 0.916 -2.174 -1.162 1.00 0.08 C ATOM 376 CG1 VAL A 25 2.242 -2.002 -0.421 1.00 0.15 C ATOM 377 CG2 VAL A 25 0.389 -3.584 -0.913 1.00 0.16 C ATOM 0 H VAL A 25 -1.289 -1.474 -2.382 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.282 -1.318 0.423 1.00 0.08 H new ATOM 0 HB VAL A 25 1.063 -2.020 -2.231 1.00 0.08 H new ATOM 0 HG11 VAL A 25 2.963 -2.730 -0.793 1.00 0.15 H new ATOM 0 HG12 VAL A 25 2.624 -0.995 -0.588 1.00 0.15 H new ATOM 0 HG13 VAL A 25 2.085 -2.159 0.646 1.00 0.15 H new ATOM 0 HG21 VAL A 25 1.108 -4.313 -1.288 1.00 0.16 H new ATOM 0 HG22 VAL A 25 0.244 -3.735 0.157 1.00 0.16 H new ATOM 0 HG23 VAL A 25 -0.562 -3.713 -1.430 1.00 0.16 H new ATOM 387 N ASP A 26 1.163 0.723 0.190 1.00 0.06 N ATOM 388 CA ASP A 26 1.785 2.078 0.110 1.00 0.06 C ATOM 389 C ASP A 26 3.305 1.949 0.199 1.00 0.06 C ATOM 390 O ASP A 26 3.876 1.987 1.273 1.00 0.06 O ATOM 391 CB ASP A 26 1.280 2.930 1.269 1.00 0.07 C ATOM 392 CG ASP A 26 1.919 4.317 1.191 1.00 0.04 C ATOM 393 OD1 ASP A 26 2.460 4.607 0.136 1.00 1.18 O ATOM 394 OD2 ASP A 26 1.831 5.010 2.191 1.00 1.19 O ATOM 0 H ASP A 26 1.310 0.230 1.071 1.00 0.06 H new ATOM 0 HA ASP A 26 1.517 2.548 -0.836 1.00 0.06 H new ATOM 0 HB2 ASP A 26 0.194 3.014 1.228 1.00 0.07 H new ATOM 0 HB3 ASP A 26 1.527 2.456 2.219 1.00 0.07 H new ATOM 399 N PHE A 27 3.927 1.792 -0.932 1.00 0.06 N ATOM 400 CA PHE A 27 5.408 1.654 -0.943 1.00 0.07 C ATOM 401 C PHE A 27 6.070 3.022 -0.753 1.00 0.08 C ATOM 402 O PHE A 27 6.203 3.788 -1.686 1.00 0.08 O ATOM 403 CB PHE A 27 5.826 1.051 -2.278 1.00 0.07 C ATOM 404 CG PHE A 27 5.465 -0.439 -2.290 1.00 0.04 C ATOM 405 CD1 PHE A 27 6.314 -1.370 -1.713 1.00 0.05 C ATOM 406 CD2 PHE A 27 4.286 -0.879 -2.877 1.00 0.03 C ATOM 407 CE1 PHE A 27 5.995 -2.711 -1.726 1.00 0.04 C ATOM 408 CE2 PHE A 27 3.973 -2.227 -2.884 1.00 0.01 C ATOM 409 CZ PHE A 27 4.828 -3.137 -2.310 1.00 0.02 C ATOM 0 H PHE A 27 3.477 1.753 -1.847 1.00 0.06 H new ATOM 0 HA PHE A 27 5.725 1.006 -0.126 1.00 0.07 H new ATOM 0 HB2 PHE A 27 5.324 1.566 -3.097 1.00 0.07 H new ATOM 0 HB3 PHE A 27 6.898 1.180 -2.430 1.00 0.07 H new ATOM 0 HD1 PHE A 27 7.233 -1.042 -1.249 1.00 0.05 H new ATOM 0 HD2 PHE A 27 3.611 -0.167 -3.329 1.00 0.03 H new ATOM 0 HE1 PHE A 27 6.665 -3.428 -1.276 1.00 0.04 H new ATOM 0 HE2 PHE A 27 3.055 -2.565 -3.342 1.00 0.01 H new ATOM 0 HZ PHE A 27 4.582 -4.188 -2.318 1.00 0.02 H new ATOM 419 N SER A 28 6.473 3.297 0.461 1.00 0.11 N ATOM 420 CA SER A 28 7.127 4.610 0.743 1.00 0.13 C ATOM 421 C SER A 28 8.222 4.434 1.802 1.00 0.16 C ATOM 422 O SER A 28 8.416 3.353 2.322 1.00 0.16 O ATOM 423 CB SER A 28 6.076 5.592 1.258 1.00 0.19 C ATOM 424 OG SER A 28 6.062 5.380 2.662 1.00 1.03 O ATOM 0 H SER A 28 6.379 2.675 1.264 1.00 0.11 H new ATOM 0 HA SER A 28 7.577 4.993 -0.173 1.00 0.13 H new ATOM 0 HB2 SER A 28 6.338 6.621 1.013 1.00 0.19 H new ATOM 0 HB3 SER A 28 5.099 5.398 0.816 1.00 0.19 H new ATOM 0 HG SER A 28 5.407 5.979 3.077 1.00 1.03 H new ATOM 430 N ALA A 29 8.913 5.504 2.100 1.00 0.26 N ATOM 431 CA ALA A 29 10.001 5.420 3.124 1.00 0.31 C ATOM 432 C ALA A 29 9.510 5.973 4.468 1.00 0.34 C ATOM 433 O ALA A 29 8.719 6.894 4.511 1.00 0.29 O ATOM 434 CB ALA A 29 11.200 6.238 2.646 1.00 0.41 C ATOM 0 H ALA A 29 8.774 6.425 1.684 1.00 0.26 H new ATOM 0 HA ALA A 29 10.289 4.377 3.257 1.00 0.31 H new ATOM 0 HB1 ALA A 29 11.997 6.182 3.387 1.00 0.41 H new ATOM 0 HB2 ALA A 29 11.558 5.839 1.697 1.00 0.41 H new ATOM 0 HB3 ALA A 29 10.901 7.278 2.513 1.00 0.41 H new ATOM 440 N THR A 30 9.994 5.400 5.538 1.00 0.53 N ATOM 441 CA THR A 30 9.565 5.880 6.885 1.00 0.62 C ATOM 442 C THR A 30 10.525 6.961 7.393 1.00 0.65 C ATOM 443 O THR A 30 10.106 7.983 7.900 1.00 0.78 O ATOM 444 CB THR A 30 9.557 4.700 7.864 1.00 0.82 C ATOM 445 OG1 THR A 30 8.999 5.227 9.063 1.00 1.00 O ATOM 446 CG2 THR A 30 10.974 4.268 8.238 1.00 0.94 C ATOM 0 H THR A 30 10.661 4.628 5.539 1.00 0.53 H new ATOM 0 HA THR A 30 8.564 6.305 6.810 1.00 0.62 H new ATOM 0 HB THR A 30 9.025 3.857 7.423 1.00 0.82 H new ATOM 0 HG1 THR A 30 8.960 4.522 9.743 1.00 1.00 H new ATOM 0 HG21 THR A 30 10.927 3.430 8.933 1.00 0.94 H new ATOM 0 HG22 THR A 30 11.511 3.965 7.339 1.00 0.94 H new ATOM 0 HG23 THR A 30 11.496 5.101 8.709 1.00 0.94 H new ATOM 454 N TRP A 31 11.792 6.708 7.243 1.00 0.63 N ATOM 455 CA TRP A 31 12.806 7.701 7.705 1.00 0.68 C ATOM 456 C TRP A 31 12.590 9.048 7.009 1.00 0.57 C ATOM 457 O TRP A 31 12.546 10.080 7.647 1.00 0.58 O ATOM 458 CB TRP A 31 14.189 7.174 7.345 1.00 0.76 C ATOM 459 CG TRP A 31 14.199 6.838 5.853 1.00 0.62 C ATOM 460 CD1 TRP A 31 13.771 5.684 5.354 1.00 0.57 C ATOM 461 CD2 TRP A 31 14.585 7.657 4.885 1.00 0.56 C ATOM 462 NE1 TRP A 31 13.912 5.838 4.030 1.00 0.44 N ATOM 463 CE2 TRP A 31 14.418 7.058 3.649 1.00 0.44 C ATOM 464 CE3 TRP A 31 15.080 8.955 4.948 1.00 0.65 C ATOM 465 CZ2 TRP A 31 14.740 7.738 2.498 1.00 0.43 C ATOM 466 CZ3 TRP A 31 15.402 9.630 3.789 1.00 0.66 C ATOM 467 CH2 TRP A 31 15.232 9.022 2.566 1.00 0.56 C ATOM 0 H TRP A 31 12.172 5.860 6.822 1.00 0.63 H new ATOM 0 HA TRP A 31 12.712 7.843 8.782 1.00 0.68 H new ATOM 0 HB2 TRP A 31 14.951 7.920 7.572 1.00 0.76 H new ATOM 0 HB3 TRP A 31 14.424 6.289 7.936 1.00 0.76 H new ATOM 0 HD1 TRP A 31 13.397 4.824 5.889 1.00 0.57 H new ATOM 0 HE1 TRP A 31 13.664 5.110 3.360 1.00 0.44 H new ATOM 0 HE3 TRP A 31 15.213 9.435 5.906 1.00 0.65 H new ATOM 0 HZ2 TRP A 31 14.606 7.263 1.537 1.00 0.43 H new ATOM 0 HZ3 TRP A 31 15.788 10.637 3.841 1.00 0.66 H new ATOM 0 HH2 TRP A 31 15.485 9.552 1.660 1.00 0.56 H new ATOM 478 N CYS A 32 12.460 9.003 5.711 1.00 0.50 N ATOM 479 CA CYS A 32 12.264 10.267 4.945 1.00 0.46 C ATOM 480 C CYS A 32 11.137 11.098 5.564 1.00 0.44 C ATOM 481 O CYS A 32 10.408 10.624 6.413 1.00 0.41 O ATOM 482 CB CYS A 32 11.916 9.927 3.502 1.00 0.39 C ATOM 483 SG CYS A 32 11.989 11.272 2.292 1.00 0.72 S ATOM 0 H CYS A 32 12.481 8.151 5.150 1.00 0.50 H new ATOM 0 HA CYS A 32 13.184 10.850 4.978 1.00 0.46 H new ATOM 0 HB2 CYS A 32 12.590 9.137 3.170 1.00 0.39 H new ATOM 0 HB3 CYS A 32 10.908 9.513 3.486 1.00 0.39 H new ATOM 0 HG CYS A 32 13.147 11.262 1.701 1.00 0.72 H new ATOM 489 N GLY A 33 11.019 12.322 5.118 1.00 0.55 N ATOM 490 CA GLY A 33 9.952 13.215 5.670 1.00 0.56 C ATOM 491 C GLY A 33 8.760 13.336 4.700 1.00 0.55 C ATOM 492 O GLY A 33 7.683 12.849 4.976 1.00 0.50 O ATOM 0 H GLY A 33 11.610 12.741 4.400 1.00 0.55 H new ATOM 0 HA2 GLY A 33 9.606 12.822 6.626 1.00 0.56 H new ATOM 0 HA3 GLY A 33 10.367 14.204 5.863 1.00 0.56 H new ATOM 496 N PRO A 34 8.986 13.993 3.576 1.00 0.62 N ATOM 497 CA PRO A 34 7.930 14.193 2.571 1.00 0.64 C ATOM 498 C PRO A 34 7.218 12.874 2.234 1.00 0.58 C ATOM 499 O PRO A 34 6.119 12.879 1.716 1.00 0.70 O ATOM 500 CB PRO A 34 8.650 14.757 1.342 1.00 0.73 C ATOM 501 CG PRO A 34 10.111 15.087 1.777 1.00 0.76 C ATOM 502 CD PRO A 34 10.293 14.563 3.215 1.00 0.69 C ATOM 0 HA PRO A 34 7.153 14.865 2.934 1.00 0.64 H new ATOM 0 HB2 PRO A 34 8.645 14.033 0.527 1.00 0.73 H new ATOM 0 HB3 PRO A 34 8.146 15.652 0.977 1.00 0.73 H new ATOM 0 HG2 PRO A 34 10.828 14.617 1.104 1.00 0.76 H new ATOM 0 HG3 PRO A 34 10.291 16.161 1.734 1.00 0.76 H new ATOM 0 HD2 PRO A 34 11.080 13.811 3.265 1.00 0.69 H new ATOM 0 HD3 PRO A 34 10.576 15.366 3.896 1.00 0.69 H new ATOM 510 N CYS A 35 7.855 11.774 2.532 1.00 0.42 N ATOM 511 CA CYS A 35 7.209 10.461 2.239 1.00 0.41 C ATOM 512 C CYS A 35 6.205 10.123 3.342 1.00 0.35 C ATOM 513 O CYS A 35 5.095 9.714 3.070 1.00 0.30 O ATOM 514 CB CYS A 35 8.274 9.369 2.170 1.00 0.35 C ATOM 515 SG CYS A 35 9.700 9.667 1.095 1.00 0.27 S ATOM 0 H CYS A 35 8.780 11.726 2.959 1.00 0.42 H new ATOM 0 HA CYS A 35 6.690 10.523 1.283 1.00 0.41 H new ATOM 0 HB2 CYS A 35 8.644 9.194 3.180 1.00 0.35 H new ATOM 0 HB3 CYS A 35 7.792 8.448 1.843 1.00 0.35 H new ATOM 0 HG CYS A 35 10.543 10.450 1.700 1.00 0.27 H new ATOM 521 N LYS A 36 6.617 10.303 4.568 1.00 0.39 N ATOM 522 CA LYS A 36 5.696 10.001 5.695 1.00 0.36 C ATOM 523 C LYS A 36 4.757 11.195 5.905 1.00 0.36 C ATOM 524 O LYS A 36 3.911 11.185 6.777 1.00 0.32 O ATOM 525 CB LYS A 36 6.520 9.753 6.964 1.00 0.32 C ATOM 526 CG LYS A 36 5.649 9.010 7.979 1.00 0.56 C ATOM 527 CD LYS A 36 5.939 9.499 9.396 1.00 0.52 C ATOM 528 CE LYS A 36 7.435 9.347 9.690 1.00 1.01 C ATOM 529 NZ LYS A 36 7.643 8.749 11.038 1.00 1.46 N ATOM 0 H LYS A 36 7.541 10.642 4.834 1.00 0.39 H new ATOM 0 HA LYS A 36 5.106 9.112 5.471 1.00 0.36 H new ATOM 0 HB2 LYS A 36 7.409 9.167 6.729 1.00 0.32 H new ATOM 0 HB3 LYS A 36 6.863 10.699 7.382 1.00 0.32 H new ATOM 0 HG2 LYS A 36 4.596 9.164 7.744 1.00 0.56 H new ATOM 0 HG3 LYS A 36 5.837 7.938 7.913 1.00 0.56 H new ATOM 0 HD2 LYS A 36 5.641 10.542 9.501 1.00 0.52 H new ATOM 0 HD3 LYS A 36 5.355 8.926 10.117 1.00 0.52 H new ATOM 0 HE2 LYS A 36 7.899 8.717 8.931 1.00 1.01 H new ATOM 0 HE3 LYS A 36 7.923 10.320 9.638 1.00 1.01 H new ATOM 0 HZ1 LYS A 36 8.662 8.653 11.222 1.00 1.46 H new ATOM 0 HZ2 LYS A 36 7.218 9.365 11.760 1.00 1.46 H new ATOM 0 HZ3 LYS A 36 7.195 7.811 11.075 1.00 1.46 H new ATOM 543 N MET A 37 4.931 12.202 5.088 1.00 0.46 N ATOM 544 CA MET A 37 4.066 13.412 5.209 1.00 0.48 C ATOM 545 C MET A 37 2.705 13.145 4.562 1.00 0.48 C ATOM 546 O MET A 37 1.737 13.823 4.839 1.00 0.49 O ATOM 547 CB MET A 37 4.755 14.588 4.506 1.00 0.53 C ATOM 548 CG MET A 37 3.972 15.882 4.766 1.00 0.73 C ATOM 549 SD MET A 37 2.497 16.179 3.762 1.00 2.53 S ATOM 550 CE MET A 37 3.200 17.468 2.704 1.00 3.04 C ATOM 0 H MET A 37 5.631 12.238 4.347 1.00 0.46 H new ATOM 0 HA MET A 37 3.913 13.651 6.261 1.00 0.48 H new ATOM 0 HB2 MET A 37 5.777 14.692 4.869 1.00 0.53 H new ATOM 0 HB3 MET A 37 4.815 14.398 3.434 1.00 0.53 H new ATOM 0 HG2 MET A 37 3.673 15.890 5.814 1.00 0.73 H new ATOM 0 HG3 MET A 37 4.652 16.722 4.622 1.00 0.73 H new ATOM 0 HE1 MET A 37 2.447 17.805 1.992 1.00 3.04 H new ATOM 0 HE2 MET A 37 3.520 18.309 3.319 1.00 3.04 H new ATOM 0 HE3 MET A 37 4.057 17.067 2.163 1.00 3.04 H new ATOM 560 N ILE A 38 2.666 12.161 3.704 1.00 0.50 N ATOM 561 CA ILE A 38 1.379 11.822 3.034 1.00 0.47 C ATOM 562 C ILE A 38 0.700 10.673 3.787 1.00 0.38 C ATOM 563 O ILE A 38 -0.377 10.240 3.430 1.00 0.24 O ATOM 564 CB ILE A 38 1.661 11.385 1.592 1.00 0.57 C ATOM 565 CG1 ILE A 38 2.404 12.511 0.835 1.00 0.76 C ATOM 566 CG2 ILE A 38 0.335 11.060 0.891 1.00 0.42 C ATOM 567 CD1 ILE A 38 1.609 13.825 0.907 1.00 0.49 C ATOM 0 H ILE A 38 3.463 11.582 3.440 1.00 0.50 H new ATOM 0 HA ILE A 38 0.726 12.694 3.034 1.00 0.47 H new ATOM 0 HB ILE A 38 2.291 10.496 1.598 1.00 0.57 H new ATOM 0 HG12 ILE A 38 3.395 12.655 1.266 1.00 0.76 H new ATOM 0 HG13 ILE A 38 2.548 12.223 -0.206 1.00 0.76 H new ATOM 0 HG21 ILE A 38 0.532 10.749 -0.135 1.00 0.42 H new ATOM 0 HG22 ILE A 38 -0.170 10.254 1.424 1.00 0.42 H new ATOM 0 HG23 ILE A 38 -0.300 11.946 0.886 1.00 0.42 H new ATOM 0 HD11 ILE A 38 2.147 14.606 0.369 1.00 0.49 H new ATOM 0 HD12 ILE A 38 0.628 13.682 0.454 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.488 14.120 1.949 1.00 0.49 H new ATOM 579 N LYS A 39 1.353 10.204 4.812 1.00 0.56 N ATOM 580 CA LYS A 39 0.771 9.089 5.604 1.00 0.48 C ATOM 581 C LYS A 39 -0.511 9.516 6.346 1.00 0.34 C ATOM 582 O LYS A 39 -1.474 8.798 6.345 1.00 0.20 O ATOM 583 CB LYS A 39 1.801 8.586 6.611 1.00 0.66 C ATOM 584 CG LYS A 39 1.976 7.070 6.437 1.00 1.23 C ATOM 585 CD LYS A 39 2.802 6.517 7.600 1.00 1.29 C ATOM 586 CE LYS A 39 3.119 5.044 7.340 1.00 2.05 C ATOM 587 NZ LYS A 39 4.176 4.566 8.274 1.00 2.14 N ATOM 0 H LYS A 39 2.260 10.543 5.134 1.00 0.56 H new ATOM 0 HA LYS A 39 0.503 8.293 4.909 1.00 0.48 H new ATOM 0 HB2 LYS A 39 2.753 9.094 6.460 1.00 0.66 H new ATOM 0 HB3 LYS A 39 1.476 8.813 7.626 1.00 0.66 H new ATOM 0 HG2 LYS A 39 1.002 6.582 6.404 1.00 1.23 H new ATOM 0 HG3 LYS A 39 2.472 6.856 5.490 1.00 1.23 H new ATOM 0 HD2 LYS A 39 3.725 7.086 7.708 1.00 1.29 H new ATOM 0 HD3 LYS A 39 2.251 6.623 8.535 1.00 1.29 H new ATOM 0 HE2 LYS A 39 2.217 4.444 7.464 1.00 2.05 H new ATOM 0 HE3 LYS A 39 3.449 4.913 6.310 1.00 2.05 H new ATOM 0 HZ1 LYS A 39 4.191 3.526 8.278 1.00 2.14 H new ATOM 0 HZ2 LYS A 39 5.102 4.925 7.964 1.00 2.14 H new ATOM 0 HZ3 LYS A 39 3.974 4.913 9.233 1.00 2.14 H new ATOM 601 N PRO A 40 -0.511 10.681 6.973 1.00 0.47 N ATOM 602 CA PRO A 40 -1.698 11.132 7.706 1.00 0.52 C ATOM 603 C PRO A 40 -2.921 11.172 6.777 1.00 0.43 C ATOM 604 O PRO A 40 -4.023 11.450 7.209 1.00 0.55 O ATOM 605 CB PRO A 40 -1.342 12.527 8.233 1.00 0.71 C ATOM 606 CG PRO A 40 0.174 12.749 7.944 1.00 0.79 C ATOM 607 CD PRO A 40 0.625 11.620 6.999 1.00 0.65 C ATOM 0 HA PRO A 40 -1.961 10.459 8.522 1.00 0.52 H new ATOM 0 HB2 PRO A 40 -1.944 13.291 7.741 1.00 0.71 H new ATOM 0 HB3 PRO A 40 -1.546 12.599 9.301 1.00 0.71 H new ATOM 0 HG2 PRO A 40 0.340 13.724 7.486 1.00 0.79 H new ATOM 0 HG3 PRO A 40 0.749 12.730 8.870 1.00 0.79 H new ATOM 0 HD2 PRO A 40 0.846 12.002 6.002 1.00 0.65 H new ATOM 0 HD3 PRO A 40 1.531 11.136 7.364 1.00 0.65 H new ATOM 615 N PHE A 41 -2.691 10.891 5.517 1.00 0.28 N ATOM 616 CA PHE A 41 -3.819 10.883 4.535 1.00 0.27 C ATOM 617 C PHE A 41 -4.184 9.432 4.173 1.00 0.22 C ATOM 618 O PHE A 41 -5.343 9.064 4.160 1.00 0.28 O ATOM 619 CB PHE A 41 -3.388 11.636 3.273 1.00 0.21 C ATOM 620 CG PHE A 41 -3.261 13.129 3.592 1.00 0.34 C ATOM 621 CD1 PHE A 41 -2.080 13.640 4.099 1.00 0.37 C ATOM 622 CD2 PHE A 41 -4.327 13.986 3.376 1.00 0.57 C ATOM 623 CE1 PHE A 41 -1.966 14.987 4.385 1.00 0.53 C ATOM 624 CE2 PHE A 41 -4.210 15.332 3.664 1.00 0.69 C ATOM 625 CZ PHE A 41 -3.030 15.830 4.167 1.00 0.64 C ATOM 0 H PHE A 41 -1.775 10.668 5.128 1.00 0.28 H new ATOM 0 HA PHE A 41 -4.690 11.369 4.974 1.00 0.27 H new ATOM 0 HB2 PHE A 41 -2.436 11.248 2.911 1.00 0.21 H new ATOM 0 HB3 PHE A 41 -4.117 11.483 2.478 1.00 0.21 H new ATOM 0 HD1 PHE A 41 -1.241 12.982 4.272 1.00 0.37 H new ATOM 0 HD2 PHE A 41 -5.255 13.600 2.980 1.00 0.57 H new ATOM 0 HE1 PHE A 41 -1.040 15.378 4.780 1.00 0.53 H new ATOM 0 HE2 PHE A 41 -5.046 15.994 3.494 1.00 0.69 H new ATOM 0 HZ PHE A 41 -2.940 16.883 4.390 1.00 0.64 H new ATOM 635 N PHE A 42 -3.178 8.643 3.886 1.00 0.12 N ATOM 636 CA PHE A 42 -3.432 7.207 3.530 1.00 0.11 C ATOM 637 C PHE A 42 -3.561 6.376 4.809 1.00 0.07 C ATOM 638 O PHE A 42 -4.084 5.279 4.801 1.00 0.14 O ATOM 639 CB PHE A 42 -2.244 6.689 2.709 1.00 0.11 C ATOM 640 CG PHE A 42 -2.397 5.182 2.468 1.00 0.14 C ATOM 641 CD1 PHE A 42 -3.336 4.712 1.571 1.00 0.21 C ATOM 642 CD2 PHE A 42 -1.596 4.267 3.145 1.00 0.11 C ATOM 643 CE1 PHE A 42 -3.476 3.358 1.348 1.00 0.23 C ATOM 644 CE2 PHE A 42 -1.742 2.914 2.920 1.00 0.13 C ATOM 645 CZ PHE A 42 -2.680 2.461 2.024 1.00 0.18 C ATOM 0 H PHE A 42 -2.198 8.926 3.882 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.353 7.125 2.954 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -2.192 7.216 1.756 1.00 0.11 H new ATOM 0 HB3 PHE A 42 -1.311 6.890 3.236 1.00 0.11 H new ATOM 0 HD1 PHE A 42 -3.966 5.410 1.040 1.00 0.21 H new ATOM 0 HD2 PHE A 42 -0.857 4.618 3.850 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -4.211 3.001 0.642 1.00 0.23 H new ATOM 0 HE2 PHE A 42 -1.118 2.209 3.449 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.793 1.401 1.850 1.00 0.18 H new ATOM 655 N HIS A 43 -3.075 6.931 5.875 1.00 0.15 N ATOM 656 CA HIS A 43 -3.122 6.222 7.184 1.00 0.12 C ATOM 657 C HIS A 43 -4.462 6.493 7.888 1.00 0.13 C ATOM 658 O HIS A 43 -4.874 5.745 8.753 1.00 0.12 O ATOM 659 CB HIS A 43 -1.967 6.734 8.049 1.00 0.14 C ATOM 660 CG HIS A 43 -1.733 5.784 9.219 1.00 0.13 C ATOM 661 ND1 HIS A 43 -2.529 4.886 9.581 1.00 0.09 N ATOM 662 CD2 HIS A 43 -0.656 5.697 10.088 1.00 0.18 C ATOM 663 CE1 HIS A 43 -2.077 4.243 10.578 1.00 0.11 C ATOM 664 NE2 HIS A 43 -0.882 4.692 10.973 1.00 0.16 N ATOM 0 H HIS A 43 -2.642 7.854 5.901 1.00 0.15 H new ATOM 0 HA HIS A 43 -3.029 5.147 7.027 1.00 0.12 H new ATOM 0 HB2 HIS A 43 -1.061 6.816 7.449 1.00 0.14 H new ATOM 0 HB3 HIS A 43 -2.195 7.733 8.421 1.00 0.14 H new ATOM 0 HD1 HIS A 43 -3.425 4.696 9.132 1.00 0.09 H new ATOM 0 HD2 HIS A 43 0.221 6.327 10.065 1.00 0.18 H new ATOM 0 HE1 HIS A 43 -2.599 3.426 11.053 1.00 0.11 H new ATOM 672 N SER A 44 -5.112 7.560 7.497 1.00 0.20 N ATOM 673 CA SER A 44 -6.421 7.902 8.138 1.00 0.23 C ATOM 674 C SER A 44 -7.549 7.033 7.568 1.00 0.22 C ATOM 675 O SER A 44 -8.650 7.030 8.082 1.00 0.21 O ATOM 676 CB SER A 44 -6.736 9.374 7.877 1.00 0.28 C ATOM 677 OG SER A 44 -6.933 9.446 6.473 1.00 1.17 O ATOM 0 H SER A 44 -4.799 8.203 6.770 1.00 0.20 H new ATOM 0 HA SER A 44 -6.347 7.716 9.209 1.00 0.23 H new ATOM 0 HB2 SER A 44 -7.625 9.693 8.421 1.00 0.28 H new ATOM 0 HB3 SER A 44 -5.918 10.019 8.198 1.00 0.28 H new ATOM 0 HG SER A 44 -6.068 9.377 6.017 1.00 1.17 H new ATOM 683 N LEU A 45 -7.255 6.318 6.522 1.00 0.24 N ATOM 684 CA LEU A 45 -8.306 5.447 5.912 1.00 0.24 C ATOM 685 C LEU A 45 -8.497 4.183 6.755 1.00 0.24 C ATOM 686 O LEU A 45 -9.407 3.410 6.527 1.00 0.23 O ATOM 687 CB LEU A 45 -7.878 5.058 4.498 1.00 0.23 C ATOM 688 CG LEU A 45 -7.450 6.315 3.734 1.00 0.24 C ATOM 689 CD1 LEU A 45 -7.093 5.933 2.295 1.00 0.20 C ATOM 690 CD2 LEU A 45 -8.608 7.315 3.714 1.00 0.39 C ATOM 0 H LEU A 45 -6.344 6.295 6.063 1.00 0.24 H new ATOM 0 HA LEU A 45 -9.249 5.993 5.876 1.00 0.24 H new ATOM 0 HB2 LEU A 45 -7.054 4.345 4.538 1.00 0.23 H new ATOM 0 HB3 LEU A 45 -8.701 4.566 3.979 1.00 0.23 H new ATOM 0 HG LEU A 45 -6.585 6.763 4.223 1.00 0.24 H new ATOM 0 HD11 LEU A 45 -6.788 6.824 1.747 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.274 5.213 2.302 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.962 5.489 1.810 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -8.306 8.211 3.171 1.00 0.39 H new ATOM 0 HD22 LEU A 45 -9.469 6.865 3.221 1.00 0.39 H new ATOM 0 HD23 LEU A 45 -8.875 7.583 4.736 1.00 0.39 H new ATOM 702 N SER A 46 -7.633 4.003 7.713 1.00 0.24 N ATOM 703 CA SER A 46 -7.737 2.801 8.586 1.00 0.24 C ATOM 704 C SER A 46 -9.079 2.784 9.330 1.00 0.29 C ATOM 705 O SER A 46 -9.545 1.740 9.745 1.00 0.45 O ATOM 706 CB SER A 46 -6.602 2.837 9.602 1.00 0.21 C ATOM 707 OG SER A 46 -7.259 2.994 10.851 1.00 1.35 O ATOM 0 H SER A 46 -6.861 4.634 7.929 1.00 0.24 H new ATOM 0 HA SER A 46 -7.672 1.905 7.968 1.00 0.24 H new ATOM 0 HB2 SER A 46 -6.013 1.920 9.574 1.00 0.21 H new ATOM 0 HB3 SER A 46 -5.917 3.662 9.405 1.00 0.21 H new ATOM 0 HG SER A 46 -6.593 3.025 11.569 1.00 1.35 H new ATOM 713 N GLU A 47 -9.670 3.941 9.481 1.00 0.17 N ATOM 714 CA GLU A 47 -10.976 4.016 10.212 1.00 0.21 C ATOM 715 C GLU A 47 -12.145 4.197 9.237 1.00 0.26 C ATOM 716 O GLU A 47 -13.174 3.564 9.378 1.00 0.32 O ATOM 717 CB GLU A 47 -10.935 5.201 11.174 1.00 0.16 C ATOM 718 CG GLU A 47 -10.173 4.797 12.436 1.00 0.34 C ATOM 719 CD GLU A 47 -11.167 4.306 13.491 1.00 1.18 C ATOM 720 OE1 GLU A 47 -11.738 3.255 13.248 1.00 2.24 O ATOM 721 OE2 GLU A 47 -11.299 5.008 14.479 1.00 1.32 O ATOM 0 H GLU A 47 -9.311 4.831 9.134 1.00 0.17 H new ATOM 0 HA GLU A 47 -11.126 3.084 10.757 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -10.450 6.054 10.699 1.00 0.16 H new ATOM 0 HB3 GLU A 47 -11.948 5.512 11.430 1.00 0.16 H new ATOM 0 HG2 GLU A 47 -9.453 4.012 12.204 1.00 0.34 H new ATOM 0 HG3 GLU A 47 -9.607 5.645 12.820 1.00 0.34 H new ATOM 728 N LYS A 48 -11.970 5.053 8.269 1.00 0.27 N ATOM 729 CA LYS A 48 -13.079 5.287 7.296 1.00 0.35 C ATOM 730 C LYS A 48 -13.338 4.022 6.471 1.00 0.21 C ATOM 731 O LYS A 48 -14.402 3.440 6.540 1.00 0.28 O ATOM 732 CB LYS A 48 -12.698 6.441 6.361 1.00 0.49 C ATOM 733 CG LYS A 48 -13.920 6.866 5.527 1.00 0.66 C ATOM 734 CD LYS A 48 -13.788 6.306 4.112 1.00 2.42 C ATOM 735 CE LYS A 48 -15.015 6.722 3.297 1.00 2.97 C ATOM 736 NZ LYS A 48 -14.731 6.624 1.840 1.00 4.18 N ATOM 0 H LYS A 48 -11.121 5.595 8.108 1.00 0.27 H new ATOM 0 HA LYS A 48 -13.986 5.540 7.844 1.00 0.35 H new ATOM 0 HB2 LYS A 48 -12.333 7.287 6.943 1.00 0.49 H new ATOM 0 HB3 LYS A 48 -11.886 6.133 5.702 1.00 0.49 H new ATOM 0 HG2 LYS A 48 -14.836 6.500 5.991 1.00 0.66 H new ATOM 0 HG3 LYS A 48 -13.992 7.953 5.495 1.00 0.66 H new ATOM 0 HD2 LYS A 48 -12.879 6.680 3.642 1.00 2.42 H new ATOM 0 HD3 LYS A 48 -13.707 5.219 4.143 1.00 2.42 H new ATOM 0 HE2 LYS A 48 -15.861 6.084 3.552 1.00 2.97 H new ATOM 0 HE3 LYS A 48 -15.298 7.744 3.550 1.00 2.97 H new ATOM 0 HZ1 LYS A 48 -15.627 6.557 1.316 1.00 4.18 H new ATOM 0 HZ2 LYS A 48 -14.211 7.470 1.530 1.00 4.18 H new ATOM 0 HZ3 LYS A 48 -14.157 5.777 1.654 1.00 4.18 H new ATOM 750 N TYR A 49 -12.359 3.624 5.706 1.00 0.13 N ATOM 751 CA TYR A 49 -12.536 2.400 4.871 1.00 0.16 C ATOM 752 C TYR A 49 -12.312 1.145 5.720 1.00 0.09 C ATOM 753 O TYR A 49 -11.201 0.668 5.846 1.00 0.14 O ATOM 754 CB TYR A 49 -11.530 2.423 3.727 1.00 0.38 C ATOM 755 CG TYR A 49 -12.125 3.187 2.542 1.00 0.36 C ATOM 756 CD1 TYR A 49 -13.117 2.616 1.771 1.00 0.43 C ATOM 757 CD2 TYR A 49 -11.682 4.456 2.227 1.00 0.34 C ATOM 758 CE1 TYR A 49 -13.656 3.302 0.702 1.00 0.51 C ATOM 759 CE2 TYR A 49 -12.221 5.142 1.158 1.00 0.41 C ATOM 760 CZ TYR A 49 -13.213 4.569 0.387 1.00 0.51 C ATOM 761 OH TYR A 49 -13.757 5.258 -0.678 1.00 0.63 O ATOM 0 H TYR A 49 -11.454 4.086 5.622 1.00 0.13 H new ATOM 0 HA TYR A 49 -13.551 2.382 4.473 1.00 0.16 H new ATOM 0 HB2 TYR A 49 -10.604 2.898 4.052 1.00 0.38 H new ATOM 0 HB3 TYR A 49 -11.279 1.405 3.428 1.00 0.38 H new ATOM 0 HD1 TYR A 49 -13.474 1.624 2.006 1.00 0.43 H new ATOM 0 HD2 TYR A 49 -10.907 4.916 2.822 1.00 0.34 H new ATOM 0 HE1 TYR A 49 -14.431 2.843 0.107 1.00 0.51 H new ATOM 0 HE2 TYR A 49 -11.865 6.134 0.923 1.00 0.41 H new ATOM 0 HH TYR A 49 -14.690 4.984 -0.803 1.00 0.63 H new ATOM 771 N SER A 50 -13.373 0.635 6.283 1.00 0.06 N ATOM 772 CA SER A 50 -13.239 -0.588 7.128 1.00 0.11 C ATOM 773 C SER A 50 -13.496 -1.844 6.289 1.00 0.16 C ATOM 774 O SER A 50 -13.311 -2.951 6.755 1.00 0.23 O ATOM 775 CB SER A 50 -14.254 -0.520 8.267 1.00 0.15 C ATOM 776 OG SER A 50 -15.506 -0.392 7.609 1.00 0.32 O ATOM 0 H SER A 50 -14.319 1.007 6.197 1.00 0.06 H new ATOM 0 HA SER A 50 -12.228 -0.636 7.532 1.00 0.11 H new ATOM 0 HB2 SER A 50 -14.219 -1.416 8.886 1.00 0.15 H new ATOM 0 HB3 SER A 50 -14.060 0.328 8.923 1.00 0.15 H new ATOM 0 HG SER A 50 -16.222 -0.343 8.276 1.00 0.32 H new ATOM 782 N ASN A 51 -13.915 -1.641 5.069 1.00 0.14 N ATOM 783 CA ASN A 51 -14.190 -2.810 4.180 1.00 0.19 C ATOM 784 C ASN A 51 -13.023 -3.022 3.210 1.00 0.24 C ATOM 785 O ASN A 51 -13.132 -3.774 2.262 1.00 0.42 O ATOM 786 CB ASN A 51 -15.467 -2.543 3.387 1.00 0.20 C ATOM 787 CG ASN A 51 -15.981 -3.857 2.798 1.00 0.25 C ATOM 788 OD1 ASN A 51 -16.611 -4.648 3.473 1.00 1.16 O ATOM 789 ND2 ASN A 51 -15.735 -4.130 1.546 1.00 1.06 N ATOM 0 H ASN A 51 -14.078 -0.725 4.651 1.00 0.14 H new ATOM 0 HA ASN A 51 -14.309 -3.706 4.790 1.00 0.19 H new ATOM 0 HB2 ASN A 51 -16.224 -2.100 4.034 1.00 0.20 H new ATOM 0 HB3 ASN A 51 -15.270 -1.826 2.590 1.00 0.20 H new ATOM 0 HD21 ASN A 51 -16.071 -5.003 1.139 1.00 1.06 H new ATOM 0 HD22 ASN A 51 -15.207 -3.470 0.974 1.00 1.06 H new ATOM 796 N VAL A 52 -11.932 -2.349 3.472 1.00 0.09 N ATOM 797 CA VAL A 52 -10.739 -2.491 2.582 1.00 0.12 C ATOM 798 C VAL A 52 -9.476 -2.679 3.424 1.00 0.12 C ATOM 799 O VAL A 52 -9.371 -2.147 4.512 1.00 0.12 O ATOM 800 CB VAL A 52 -10.597 -1.229 1.731 1.00 0.12 C ATOM 801 CG1 VAL A 52 -9.559 -1.475 0.631 1.00 0.22 C ATOM 802 CG2 VAL A 52 -11.946 -0.898 1.090 1.00 0.17 C ATOM 0 H VAL A 52 -11.815 -1.711 4.259 1.00 0.09 H new ATOM 0 HA VAL A 52 -10.871 -3.361 1.939 1.00 0.12 H new ATOM 0 HB VAL A 52 -10.276 -0.397 2.358 1.00 0.12 H new ATOM 0 HG11 VAL A 52 -9.455 -0.577 0.022 1.00 0.22 H new ATOM 0 HG12 VAL A 52 -8.599 -1.719 1.085 1.00 0.22 H new ATOM 0 HG13 VAL A 52 -9.884 -2.304 0.003 1.00 0.22 H new ATOM 0 HG21 VAL A 52 -11.849 0.002 0.482 1.00 0.17 H new ATOM 0 HG22 VAL A 52 -12.263 -1.729 0.460 1.00 0.17 H new ATOM 0 HG23 VAL A 52 -12.688 -0.730 1.870 1.00 0.17 H new ATOM 812 N ILE A 53 -8.544 -3.433 2.905 1.00 0.14 N ATOM 813 CA ILE A 53 -7.283 -3.663 3.668 1.00 0.15 C ATOM 814 C ILE A 53 -6.196 -2.705 3.189 1.00 0.12 C ATOM 815 O ILE A 53 -6.093 -2.408 2.008 1.00 0.15 O ATOM 816 CB ILE A 53 -6.815 -5.106 3.467 1.00 0.19 C ATOM 817 CG1 ILE A 53 -7.813 -6.063 4.136 1.00 0.11 C ATOM 818 CG2 ILE A 53 -5.440 -5.276 4.118 1.00 0.29 C ATOM 819 CD1 ILE A 53 -9.167 -5.988 3.419 1.00 1.16 C ATOM 0 H ILE A 53 -8.599 -3.895 1.997 1.00 0.14 H new ATOM 0 HA ILE A 53 -7.474 -3.485 4.726 1.00 0.15 H new ATOM 0 HB ILE A 53 -6.753 -5.330 2.402 1.00 0.19 H new ATOM 0 HG12 ILE A 53 -7.430 -7.083 4.103 1.00 0.11 H new ATOM 0 HG13 ILE A 53 -7.933 -5.801 5.187 1.00 0.11 H new ATOM 0 HG21 ILE A 53 -5.097 -6.301 3.981 1.00 0.29 H new ATOM 0 HG22 ILE A 53 -4.731 -4.591 3.654 1.00 0.29 H new ATOM 0 HG23 ILE A 53 -5.512 -5.057 5.183 1.00 0.29 H new ATOM 0 HD11 ILE A 53 -9.871 -6.669 3.898 1.00 1.16 H new ATOM 0 HD12 ILE A 53 -9.552 -4.970 3.475 1.00 1.16 H new ATOM 0 HD13 ILE A 53 -9.042 -6.272 2.374 1.00 1.16 H new ATOM 831 N PHE A 54 -5.404 -2.252 4.121 1.00 0.12 N ATOM 832 CA PHE A 54 -4.314 -1.299 3.773 1.00 0.09 C ATOM 833 C PHE A 54 -2.986 -1.771 4.374 1.00 0.10 C ATOM 834 O PHE A 54 -2.941 -2.218 5.502 1.00 0.18 O ATOM 835 CB PHE A 54 -4.673 0.069 4.348 1.00 0.12 C ATOM 836 CG PHE A 54 -5.998 0.536 3.750 1.00 0.14 C ATOM 837 CD1 PHE A 54 -6.032 1.168 2.521 1.00 0.17 C ATOM 838 CD2 PHE A 54 -7.183 0.332 4.433 1.00 0.13 C ATOM 839 CE1 PHE A 54 -7.229 1.590 1.985 1.00 0.19 C ATOM 840 CE2 PHE A 54 -8.381 0.756 3.894 1.00 0.15 C ATOM 841 CZ PHE A 54 -8.401 1.386 2.669 1.00 0.17 C ATOM 0 H PHE A 54 -5.465 -2.501 5.108 1.00 0.12 H new ATOM 0 HA PHE A 54 -4.206 -1.243 2.690 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -4.751 0.011 5.434 1.00 0.12 H new ATOM 0 HB3 PHE A 54 -3.886 0.789 4.123 1.00 0.12 H new ATOM 0 HD1 PHE A 54 -5.114 1.332 1.977 1.00 0.17 H new ATOM 0 HD2 PHE A 54 -7.171 -0.162 5.393 1.00 0.13 H new ATOM 0 HE1 PHE A 54 -7.245 2.083 1.024 1.00 0.19 H new ATOM 0 HE2 PHE A 54 -9.303 0.594 4.433 1.00 0.15 H new ATOM 0 HZ PHE A 54 -9.338 1.719 2.248 1.00 0.17 H new ATOM 851 N LEU A 55 -1.938 -1.673 3.594 1.00 0.07 N ATOM 852 CA LEU A 55 -0.595 -2.096 4.100 1.00 0.10 C ATOM 853 C LEU A 55 0.421 -0.974 3.874 1.00 0.06 C ATOM 854 O LEU A 55 0.211 -0.095 3.058 1.00 0.10 O ATOM 855 CB LEU A 55 -0.120 -3.356 3.358 1.00 0.18 C ATOM 856 CG LEU A 55 -1.322 -4.259 3.025 1.00 0.32 C ATOM 857 CD1 LEU A 55 -2.113 -3.675 1.851 1.00 0.53 C ATOM 858 CD2 LEU A 55 -0.813 -5.644 2.628 1.00 0.30 C ATOM 0 H LEU A 55 -1.953 -1.321 2.637 1.00 0.07 H new ATOM 0 HA LEU A 55 -0.678 -2.312 5.165 1.00 0.10 H new ATOM 0 HB2 LEU A 55 0.398 -3.074 2.441 1.00 0.18 H new ATOM 0 HB3 LEU A 55 0.595 -3.902 3.973 1.00 0.18 H new ATOM 0 HG LEU A 55 -1.968 -4.325 3.901 1.00 0.32 H new ATOM 0 HD11 LEU A 55 -2.960 -4.323 1.625 1.00 0.53 H new ATOM 0 HD12 LEU A 55 -2.476 -2.682 2.115 1.00 0.53 H new ATOM 0 HD13 LEU A 55 -1.467 -3.605 0.976 1.00 0.53 H new ATOM 0 HD21 LEU A 55 -1.659 -6.289 2.391 1.00 0.30 H new ATOM 0 HD22 LEU A 55 -0.167 -5.558 1.754 1.00 0.30 H new ATOM 0 HD23 LEU A 55 -0.249 -6.075 3.455 1.00 0.30 H new ATOM 870 N GLU A 56 1.498 -1.030 4.607 1.00 0.14 N ATOM 871 CA GLU A 56 2.557 0.014 4.464 1.00 0.10 C ATOM 872 C GLU A 56 3.930 -0.665 4.371 1.00 0.13 C ATOM 873 O GLU A 56 4.360 -1.312 5.306 1.00 0.21 O ATOM 874 CB GLU A 56 2.525 0.927 5.688 1.00 0.10 C ATOM 875 CG GLU A 56 3.400 2.153 5.422 1.00 0.23 C ATOM 876 CD GLU A 56 2.617 3.160 4.579 1.00 1.90 C ATOM 877 OE1 GLU A 56 1.504 3.454 4.981 1.00 2.60 O ATOM 878 OE2 GLU A 56 3.176 3.578 3.579 1.00 3.13 O ATOM 0 H GLU A 56 1.693 -1.753 5.300 1.00 0.14 H new ATOM 0 HA GLU A 56 2.379 0.600 3.562 1.00 0.10 H new ATOM 0 HB2 GLU A 56 1.501 1.235 5.901 1.00 0.10 H new ATOM 0 HB3 GLU A 56 2.886 0.391 6.566 1.00 0.10 H new ATOM 0 HG2 GLU A 56 3.704 2.609 6.365 1.00 0.23 H new ATOM 0 HG3 GLU A 56 4.312 1.858 4.903 1.00 0.23 H new ATOM 885 N VAL A 57 4.587 -0.505 3.250 1.00 0.10 N ATOM 886 CA VAL A 57 5.929 -1.152 3.088 1.00 0.12 C ATOM 887 C VAL A 57 7.052 -0.125 3.257 1.00 0.16 C ATOM 888 O VAL A 57 6.981 0.973 2.735 1.00 0.16 O ATOM 889 CB VAL A 57 6.026 -1.773 1.698 1.00 0.09 C ATOM 890 CG1 VAL A 57 7.454 -2.272 1.474 1.00 0.07 C ATOM 891 CG2 VAL A 57 5.061 -2.954 1.605 1.00 0.10 C ATOM 0 H VAL A 57 4.260 0.037 2.450 1.00 0.10 H new ATOM 0 HA VAL A 57 6.038 -1.920 3.853 1.00 0.12 H new ATOM 0 HB VAL A 57 5.770 -1.030 0.943 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.532 -2.718 0.482 1.00 0.07 H new ATOM 0 HG12 VAL A 57 8.148 -1.435 1.552 1.00 0.07 H new ATOM 0 HG13 VAL A 57 7.701 -3.019 2.228 1.00 0.07 H new ATOM 0 HG21 VAL A 57 5.127 -3.401 0.613 1.00 0.10 H new ATOM 0 HG22 VAL A 57 5.324 -3.699 2.357 1.00 0.10 H new ATOM 0 HG23 VAL A 57 4.043 -2.606 1.779 1.00 0.10 H new ATOM 901 N ASP A 58 8.066 -0.510 3.984 1.00 0.21 N ATOM 902 CA ASP A 58 9.215 0.413 4.200 1.00 0.25 C ATOM 903 C ASP A 58 10.331 0.097 3.197 1.00 0.21 C ATOM 904 O ASP A 58 11.042 -0.878 3.343 1.00 0.19 O ATOM 905 CB ASP A 58 9.738 0.225 5.623 1.00 0.33 C ATOM 906 CG ASP A 58 10.786 1.298 5.925 1.00 0.41 C ATOM 907 OD1 ASP A 58 10.772 2.286 5.211 1.00 0.85 O ATOM 908 OD2 ASP A 58 11.542 1.067 6.856 1.00 1.58 O ATOM 0 H ASP A 58 8.148 -1.421 4.436 1.00 0.21 H new ATOM 0 HA ASP A 58 8.890 1.444 4.056 1.00 0.25 H new ATOM 0 HB2 ASP A 58 8.916 0.293 6.336 1.00 0.33 H new ATOM 0 HB3 ASP A 58 10.175 -0.767 5.733 1.00 0.33 H new ATOM 913 N VAL A 59 10.460 0.928 2.200 1.00 0.26 N ATOM 914 CA VAL A 59 11.519 0.687 1.173 1.00 0.25 C ATOM 915 C VAL A 59 12.915 0.772 1.803 1.00 0.28 C ATOM 916 O VAL A 59 13.912 0.667 1.119 1.00 0.59 O ATOM 917 CB VAL A 59 11.394 1.739 0.075 1.00 0.23 C ATOM 918 CG1 VAL A 59 9.982 1.686 -0.513 1.00 0.34 C ATOM 919 CG2 VAL A 59 11.639 3.125 0.676 1.00 0.20 C ATOM 0 H VAL A 59 9.885 1.757 2.050 1.00 0.26 H new ATOM 0 HA VAL A 59 11.387 -0.312 0.756 1.00 0.25 H new ATOM 0 HB VAL A 59 12.126 1.544 -0.708 1.00 0.23 H new ATOM 0 HG11 VAL A 59 9.887 2.436 -1.298 1.00 0.34 H new ATOM 0 HG12 VAL A 59 9.799 0.696 -0.932 1.00 0.34 H new ATOM 0 HG13 VAL A 59 9.253 1.888 0.272 1.00 0.34 H new ATOM 0 HG21 VAL A 59 11.551 3.881 -0.104 1.00 0.20 H new ATOM 0 HG22 VAL A 59 10.901 3.320 1.454 1.00 0.20 H new ATOM 0 HG23 VAL A 59 12.640 3.163 1.107 1.00 0.20 H new ATOM 929 N ASP A 60 12.956 0.960 3.093 1.00 0.19 N ATOM 930 CA ASP A 60 14.279 1.056 3.774 1.00 0.17 C ATOM 931 C ASP A 60 14.712 -0.316 4.300 1.00 0.16 C ATOM 932 O ASP A 60 15.791 -0.786 4.001 1.00 0.26 O ATOM 933 CB ASP A 60 14.168 2.036 4.937 1.00 0.13 C ATOM 934 CG ASP A 60 15.565 2.329 5.488 1.00 0.08 C ATOM 935 OD1 ASP A 60 16.452 2.473 4.663 1.00 0.96 O ATOM 936 OD2 ASP A 60 15.665 2.393 6.701 1.00 0.97 O ATOM 0 H ASP A 60 12.141 1.051 3.700 1.00 0.19 H new ATOM 0 HA ASP A 60 15.024 1.405 3.059 1.00 0.17 H new ATOM 0 HB2 ASP A 60 13.695 2.960 4.605 1.00 0.13 H new ATOM 0 HB3 ASP A 60 13.536 1.618 5.721 1.00 0.13 H new ATOM 941 N ASP A 61 13.858 -0.930 5.073 1.00 0.08 N ATOM 942 CA ASP A 61 14.208 -2.269 5.628 1.00 0.09 C ATOM 943 C ASP A 61 13.646 -3.377 4.731 1.00 0.19 C ATOM 944 O ASP A 61 14.155 -4.480 4.713 1.00 0.48 O ATOM 945 CB ASP A 61 13.614 -2.401 7.030 1.00 0.11 C ATOM 946 CG ASP A 61 13.250 -3.864 7.289 1.00 0.68 C ATOM 947 OD1 ASP A 61 14.181 -4.621 7.513 1.00 0.63 O ATOM 948 OD2 ASP A 61 12.063 -4.143 7.248 1.00 1.63 O ATOM 0 H ASP A 61 12.943 -0.568 5.342 1.00 0.08 H new ATOM 0 HA ASP A 61 15.293 -2.366 5.672 1.00 0.09 H new ATOM 0 HB2 ASP A 61 14.331 -2.055 7.775 1.00 0.11 H new ATOM 0 HB3 ASP A 61 12.729 -1.772 7.123 1.00 0.11 H new ATOM 953 N CYS A 62 12.609 -3.055 4.004 1.00 0.11 N ATOM 954 CA CYS A 62 11.994 -4.076 3.103 1.00 0.08 C ATOM 955 C CYS A 62 12.437 -3.840 1.655 1.00 0.09 C ATOM 956 O CYS A 62 11.622 -3.796 0.754 1.00 0.30 O ATOM 957 CB CYS A 62 10.475 -3.962 3.196 1.00 0.18 C ATOM 958 SG CYS A 62 9.762 -3.632 4.827 1.00 0.23 S ATOM 0 H CYS A 62 12.164 -2.137 3.994 1.00 0.11 H new ATOM 0 HA CYS A 62 12.316 -5.071 3.410 1.00 0.08 H new ATOM 0 HB2 CYS A 62 10.155 -3.168 2.522 1.00 0.18 H new ATOM 0 HB3 CYS A 62 10.044 -4.891 2.822 1.00 0.18 H new ATOM 0 HG CYS A 62 10.673 -3.795 5.740 1.00 0.23 H new ATOM 964 N GLN A 63 13.720 -3.694 1.462 1.00 0.24 N ATOM 965 CA GLN A 63 14.231 -3.459 0.084 1.00 0.33 C ATOM 966 C GLN A 63 13.916 -4.659 -0.813 1.00 0.22 C ATOM 967 O GLN A 63 13.934 -4.554 -2.024 1.00 0.21 O ATOM 968 CB GLN A 63 15.743 -3.247 0.133 1.00 0.49 C ATOM 969 CG GLN A 63 16.102 -2.428 1.376 1.00 0.78 C ATOM 970 CD GLN A 63 17.549 -1.948 1.261 1.00 0.92 C ATOM 971 OE1 GLN A 63 17.850 -0.791 1.479 1.00 1.87 O ATOM 972 NE2 GLN A 63 18.474 -2.803 0.921 1.00 1.17 N ATOM 0 H GLN A 63 14.430 -3.727 2.193 1.00 0.24 H new ATOM 0 HA GLN A 63 13.745 -2.574 -0.326 1.00 0.33 H new ATOM 0 HB2 GLN A 63 16.255 -4.209 0.157 1.00 0.49 H new ATOM 0 HB3 GLN A 63 16.078 -2.730 -0.766 1.00 0.49 H new ATOM 0 HG2 GLN A 63 15.430 -1.575 1.471 1.00 0.78 H new ATOM 0 HG3 GLN A 63 15.977 -3.034 2.274 1.00 0.78 H new ATOM 0 HE21 GLN A 63 18.227 -3.775 0.737 1.00 1.17 H new ATOM 0 HE22 GLN A 63 19.444 -2.499 0.839 1.00 1.17 H new ATOM 981 N ASP A 64 13.634 -5.771 -0.200 1.00 0.17 N ATOM 982 CA ASP A 64 13.322 -6.986 -0.997 1.00 0.13 C ATOM 983 C ASP A 64 11.962 -6.840 -1.671 1.00 0.10 C ATOM 984 O ASP A 64 11.834 -6.999 -2.869 1.00 0.27 O ATOM 985 CB ASP A 64 13.312 -8.207 -0.076 1.00 0.23 C ATOM 986 CG ASP A 64 12.747 -7.813 1.290 1.00 0.14 C ATOM 987 OD1 ASP A 64 13.468 -7.128 1.998 1.00 0.90 O ATOM 988 OD2 ASP A 64 11.628 -8.220 1.551 1.00 0.68 O ATOM 0 H ASP A 64 13.606 -5.892 0.812 1.00 0.17 H new ATOM 0 HA ASP A 64 14.083 -7.113 -1.767 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.709 -9.002 -0.515 1.00 0.23 H new ATOM 0 HB3 ASP A 64 14.323 -8.599 0.036 1.00 0.23 H new ATOM 993 N VAL A 65 10.979 -6.540 -0.884 1.00 0.09 N ATOM 994 CA VAL A 65 9.615 -6.375 -1.443 1.00 0.05 C ATOM 995 C VAL A 65 9.600 -5.266 -2.488 1.00 0.09 C ATOM 996 O VAL A 65 9.070 -5.430 -3.570 1.00 0.21 O ATOM 997 CB VAL A 65 8.658 -6.026 -0.321 1.00 0.10 C ATOM 998 CG1 VAL A 65 7.220 -6.240 -0.798 1.00 0.16 C ATOM 999 CG2 VAL A 65 8.934 -6.935 0.876 1.00 0.11 C ATOM 0 H VAL A 65 11.058 -6.401 0.123 1.00 0.09 H new ATOM 0 HA VAL A 65 9.309 -7.307 -1.918 1.00 0.05 H new ATOM 0 HB VAL A 65 8.796 -4.984 -0.031 1.00 0.10 H new ATOM 0 HG11 VAL A 65 6.529 -5.990 0.007 1.00 0.16 H new ATOM 0 HG12 VAL A 65 7.023 -5.600 -1.658 1.00 0.16 H new ATOM 0 HG13 VAL A 65 7.083 -7.283 -1.083 1.00 0.16 H new ATOM 0 HG21 VAL A 65 8.248 -6.688 1.686 1.00 0.11 H new ATOM 0 HG22 VAL A 65 8.791 -7.975 0.584 1.00 0.11 H new ATOM 0 HG23 VAL A 65 9.961 -6.791 1.213 1.00 0.11 H new ATOM 1009 N ALA A 66 10.186 -4.163 -2.142 1.00 0.05 N ATOM 1010 CA ALA A 66 10.225 -3.025 -3.094 1.00 0.11 C ATOM 1011 C ALA A 66 10.866 -3.468 -4.402 1.00 0.09 C ATOM 1012 O ALA A 66 10.364 -3.197 -5.473 1.00 0.12 O ATOM 1013 CB ALA A 66 11.040 -1.886 -2.483 1.00 0.16 C ATOM 0 H ALA A 66 10.640 -3.998 -1.243 1.00 0.05 H new ATOM 0 HA ALA A 66 9.209 -2.683 -3.293 1.00 0.11 H new ATOM 0 HB1 ALA A 66 11.072 -1.047 -3.179 1.00 0.16 H new ATOM 0 HB2 ALA A 66 10.576 -1.566 -1.550 1.00 0.16 H new ATOM 0 HB3 ALA A 66 12.055 -2.231 -2.284 1.00 0.16 H new ATOM 1019 N SER A 67 11.964 -4.144 -4.279 1.00 0.07 N ATOM 1020 CA SER A 67 12.664 -4.632 -5.495 1.00 0.07 C ATOM 1021 C SER A 67 11.786 -5.644 -6.226 1.00 0.02 C ATOM 1022 O SER A 67 12.046 -5.997 -7.359 1.00 0.03 O ATOM 1023 CB SER A 67 13.981 -5.289 -5.089 1.00 0.12 C ATOM 1024 OG SER A 67 14.539 -5.734 -6.316 1.00 1.04 O ATOM 0 H SER A 67 12.409 -4.381 -3.393 1.00 0.07 H new ATOM 0 HA SER A 67 12.866 -3.792 -6.160 1.00 0.07 H new ATOM 0 HB2 SER A 67 14.640 -4.582 -4.585 1.00 0.12 H new ATOM 0 HB3 SER A 67 13.817 -6.119 -4.401 1.00 0.12 H new ATOM 0 HG SER A 67 13.837 -5.774 -6.999 1.00 1.04 H new ATOM 1030 N GLU A 68 10.762 -6.090 -5.555 1.00 0.05 N ATOM 1031 CA GLU A 68 9.845 -7.067 -6.185 1.00 0.12 C ATOM 1032 C GLU A 68 8.927 -6.332 -7.145 1.00 0.16 C ATOM 1033 O GLU A 68 8.507 -6.862 -8.154 1.00 0.19 O ATOM 1034 CB GLU A 68 9.018 -7.751 -5.100 1.00 0.21 C ATOM 1035 CG GLU A 68 8.751 -9.198 -5.509 1.00 0.08 C ATOM 1036 CD GLU A 68 8.195 -9.227 -6.934 1.00 1.40 C ATOM 1037 OE1 GLU A 68 6.995 -9.043 -7.051 1.00 2.13 O ATOM 1038 OE2 GLU A 68 9.002 -9.433 -7.825 1.00 2.23 O ATOM 0 H GLU A 68 10.524 -5.819 -4.601 1.00 0.05 H new ATOM 0 HA GLU A 68 10.415 -7.819 -6.730 1.00 0.12 H new ATOM 0 HB2 GLU A 68 9.549 -7.722 -4.149 1.00 0.21 H new ATOM 0 HB3 GLU A 68 8.076 -7.222 -4.956 1.00 0.21 H new ATOM 0 HG2 GLU A 68 9.671 -9.779 -5.454 1.00 0.08 H new ATOM 0 HG3 GLU A 68 8.042 -9.658 -4.820 1.00 0.08 H new ATOM 1045 N CYS A 69 8.640 -5.118 -6.798 1.00 0.22 N ATOM 1046 CA CYS A 69 7.768 -4.286 -7.663 1.00 0.33 C ATOM 1047 C CYS A 69 8.647 -3.369 -8.518 1.00 0.44 C ATOM 1048 O CYS A 69 8.176 -2.405 -9.086 1.00 0.80 O ATOM 1049 CB CYS A 69 6.848 -3.448 -6.777 1.00 0.25 C ATOM 1050 SG CYS A 69 5.507 -4.310 -5.920 1.00 0.22 S ATOM 0 H CYS A 69 8.972 -4.661 -5.949 1.00 0.22 H new ATOM 0 HA CYS A 69 7.165 -4.918 -8.315 1.00 0.33 H new ATOM 0 HB2 CYS A 69 7.463 -2.952 -6.027 1.00 0.25 H new ATOM 0 HB3 CYS A 69 6.406 -2.666 -7.395 1.00 0.25 H new ATOM 0 HG CYS A 69 5.379 -3.828 -4.719 1.00 0.22 H new ATOM 1056 N GLU A 70 9.919 -3.716 -8.585 1.00 0.27 N ATOM 1057 CA GLU A 70 10.901 -2.908 -9.385 1.00 0.38 C ATOM 1058 C GLU A 70 10.543 -1.421 -9.360 1.00 0.36 C ATOM 1059 O GLU A 70 10.544 -0.761 -10.381 1.00 0.50 O ATOM 1060 CB GLU A 70 10.946 -3.414 -10.838 1.00 0.63 C ATOM 1061 CG GLU A 70 9.527 -3.598 -11.381 1.00 1.49 C ATOM 1062 CD GLU A 70 9.600 -3.954 -12.868 1.00 1.56 C ATOM 1063 OE1 GLU A 70 10.447 -3.369 -13.524 1.00 1.04 O ATOM 1064 OE2 GLU A 70 8.806 -4.792 -13.263 1.00 2.51 O ATOM 0 H GLU A 70 10.318 -4.529 -8.116 1.00 0.27 H new ATOM 0 HA GLU A 70 11.885 -3.029 -8.932 1.00 0.38 H new ATOM 0 HB2 GLU A 70 11.492 -2.705 -11.460 1.00 0.63 H new ATOM 0 HB3 GLU A 70 11.486 -4.360 -10.884 1.00 0.63 H new ATOM 0 HG2 GLU A 70 9.013 -4.386 -10.831 1.00 1.49 H new ATOM 0 HG3 GLU A 70 8.950 -2.684 -11.241 1.00 1.49 H new ATOM 1071 N VAL A 71 10.244 -0.924 -8.189 1.00 0.20 N ATOM 1072 CA VAL A 71 9.895 0.523 -8.081 1.00 0.19 C ATOM 1073 C VAL A 71 11.168 1.372 -8.105 1.00 0.22 C ATOM 1074 O VAL A 71 12.239 0.897 -7.787 1.00 0.29 O ATOM 1075 CB VAL A 71 9.152 0.765 -6.770 1.00 0.11 C ATOM 1076 CG1 VAL A 71 8.082 1.833 -6.991 1.00 0.21 C ATOM 1077 CG2 VAL A 71 8.479 -0.532 -6.327 1.00 0.20 C ATOM 0 H VAL A 71 10.226 -1.448 -7.314 1.00 0.20 H new ATOM 0 HA VAL A 71 9.262 0.803 -8.923 1.00 0.19 H new ATOM 0 HB VAL A 71 9.854 1.096 -6.005 1.00 0.11 H new ATOM 0 HG11 VAL A 71 7.547 2.011 -6.058 1.00 0.21 H new ATOM 0 HG12 VAL A 71 8.554 2.758 -7.321 1.00 0.21 H new ATOM 0 HG13 VAL A 71 7.380 1.493 -7.752 1.00 0.21 H new ATOM 0 HG21 VAL A 71 7.947 -0.364 -5.391 1.00 0.20 H new ATOM 0 HG22 VAL A 71 7.774 -0.856 -7.092 1.00 0.20 H new ATOM 0 HG23 VAL A 71 9.235 -1.303 -6.181 1.00 0.20 H new ATOM 1087 N LYS A 72 11.022 2.610 -8.483 1.00 0.22 N ATOM 1088 CA LYS A 72 12.212 3.505 -8.531 1.00 0.30 C ATOM 1089 C LYS A 72 11.808 4.930 -8.139 1.00 0.19 C ATOM 1090 O LYS A 72 12.443 5.892 -8.526 1.00 0.16 O ATOM 1091 CB LYS A 72 12.780 3.498 -9.952 1.00 0.46 C ATOM 1092 CG LYS A 72 14.088 4.299 -9.990 1.00 1.27 C ATOM 1093 CD LYS A 72 15.202 3.421 -10.579 1.00 1.29 C ATOM 1094 CE LYS A 72 15.496 2.249 -9.632 1.00 1.97 C ATOM 1095 NZ LYS A 72 16.965 2.107 -9.419 1.00 3.09 N ATOM 0 H LYS A 72 10.139 3.039 -8.759 1.00 0.22 H new ATOM 0 HA LYS A 72 12.968 3.150 -7.831 1.00 0.30 H new ATOM 0 HB2 LYS A 72 12.960 2.473 -10.277 1.00 0.46 H new ATOM 0 HB3 LYS A 72 12.058 3.930 -10.645 1.00 0.46 H new ATOM 0 HG2 LYS A 72 13.960 5.198 -10.593 1.00 1.27 H new ATOM 0 HG3 LYS A 72 14.358 4.625 -8.985 1.00 1.27 H new ATOM 0 HD2 LYS A 72 14.902 3.044 -11.557 1.00 1.29 H new ATOM 0 HD3 LYS A 72 16.104 4.014 -10.729 1.00 1.29 H new ATOM 0 HE2 LYS A 72 14.998 2.412 -8.676 1.00 1.97 H new ATOM 0 HE3 LYS A 72 15.092 1.326 -10.049 1.00 1.97 H new ATOM 0 HZ1 LYS A 72 17.147 1.310 -8.776 1.00 3.09 H new ATOM 0 HZ2 LYS A 72 17.433 1.930 -10.331 1.00 3.09 H new ATOM 0 HZ3 LYS A 72 17.341 2.982 -9.001 1.00 3.09 H new ATOM 1109 N CYS A 73 10.753 5.033 -7.375 1.00 0.17 N ATOM 1110 CA CYS A 73 10.288 6.384 -6.943 1.00 0.10 C ATOM 1111 C CYS A 73 9.174 6.252 -5.907 1.00 0.06 C ATOM 1112 O CYS A 73 8.233 5.505 -6.095 1.00 0.09 O ATOM 1113 CB CYS A 73 9.771 7.151 -8.159 1.00 0.07 C ATOM 1114 SG CYS A 73 8.895 6.203 -9.428 1.00 0.17 S ATOM 0 H CYS A 73 10.197 4.248 -7.034 1.00 0.17 H new ATOM 0 HA CYS A 73 11.122 6.924 -6.494 1.00 0.10 H new ATOM 0 HB2 CYS A 73 9.104 7.936 -7.804 1.00 0.07 H new ATOM 0 HB3 CYS A 73 10.620 7.644 -8.632 1.00 0.07 H new ATOM 0 HG CYS A 73 8.523 7.000 -10.385 1.00 0.17 H new ATOM 1120 N THR A 74 9.310 6.989 -4.836 1.00 0.11 N ATOM 1121 CA THR A 74 8.284 6.934 -3.753 1.00 0.08 C ATOM 1122 C THR A 74 7.620 8.322 -3.595 1.00 0.12 C ATOM 1123 O THR A 74 8.217 9.326 -3.928 1.00 0.15 O ATOM 1124 CB THR A 74 8.994 6.550 -2.451 1.00 0.03 C ATOM 1125 OG1 THR A 74 10.220 7.275 -2.481 1.00 0.03 O ATOM 1126 CG2 THR A 74 9.400 5.081 -2.455 1.00 0.04 C ATOM 0 H THR A 74 10.087 7.627 -4.664 1.00 0.11 H new ATOM 0 HA THR A 74 7.513 6.203 -3.995 1.00 0.08 H new ATOM 0 HB THR A 74 8.346 6.750 -1.598 1.00 0.03 H new ATOM 0 HG1 THR A 74 10.735 7.080 -1.670 1.00 0.03 H new ATOM 0 HG21 THR A 74 9.901 4.840 -1.518 1.00 0.04 H new ATOM 0 HG22 THR A 74 8.512 4.458 -2.562 1.00 0.04 H new ATOM 0 HG23 THR A 74 10.078 4.893 -3.288 1.00 0.04 H new ATOM 1134 N PRO A 75 6.392 8.359 -3.086 1.00 0.14 N ATOM 1135 CA PRO A 75 5.612 7.165 -2.682 1.00 0.12 C ATOM 1136 C PRO A 75 5.008 6.463 -3.908 1.00 0.11 C ATOM 1137 O PRO A 75 4.754 7.090 -4.921 1.00 0.13 O ATOM 1138 CB PRO A 75 4.484 7.719 -1.808 1.00 0.15 C ATOM 1139 CG PRO A 75 4.487 9.270 -1.983 1.00 0.19 C ATOM 1140 CD PRO A 75 5.721 9.633 -2.830 1.00 0.19 C ATOM 0 HA PRO A 75 6.234 6.433 -2.167 1.00 0.12 H new ATOM 0 HB2 PRO A 75 3.523 7.300 -2.107 1.00 0.15 H new ATOM 0 HB3 PRO A 75 4.638 7.449 -0.763 1.00 0.15 H new ATOM 0 HG2 PRO A 75 3.573 9.603 -2.474 1.00 0.19 H new ATOM 0 HG3 PRO A 75 4.527 9.766 -1.013 1.00 0.19 H new ATOM 0 HD2 PRO A 75 5.431 10.121 -3.761 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.375 10.324 -2.298 1.00 0.19 H new ATOM 1148 N THR A 76 4.793 5.176 -3.784 1.00 0.10 N ATOM 1149 CA THR A 76 4.202 4.411 -4.920 1.00 0.10 C ATOM 1150 C THR A 76 3.050 3.540 -4.412 1.00 0.07 C ATOM 1151 O THR A 76 3.237 2.695 -3.560 1.00 0.04 O ATOM 1152 CB THR A 76 5.282 3.529 -5.550 1.00 0.10 C ATOM 1153 OG1 THR A 76 6.100 4.433 -6.286 1.00 0.16 O ATOM 1154 CG2 THR A 76 4.698 2.576 -6.591 1.00 0.12 C ATOM 0 H THR A 76 5.000 4.627 -2.950 1.00 0.10 H new ATOM 0 HA THR A 76 3.818 5.105 -5.668 1.00 0.10 H new ATOM 0 HB THR A 76 5.787 2.951 -4.776 1.00 0.10 H new ATOM 0 HG1 THR A 76 7.000 4.451 -5.897 1.00 0.16 H new ATOM 0 HG21 THR A 76 5.496 1.967 -7.015 1.00 0.12 H new ATOM 0 HG22 THR A 76 3.960 1.928 -6.118 1.00 0.12 H new ATOM 0 HG23 THR A 76 4.220 3.152 -7.384 1.00 0.12 H new ATOM 1162 N PHE A 77 1.881 3.767 -4.947 1.00 0.13 N ATOM 1163 CA PHE A 77 0.706 2.969 -4.496 1.00 0.11 C ATOM 1164 C PHE A 77 0.484 1.769 -5.405 1.00 0.11 C ATOM 1165 O PHE A 77 0.520 1.887 -6.615 1.00 0.11 O ATOM 1166 CB PHE A 77 -0.529 3.855 -4.518 1.00 0.11 C ATOM 1167 CG PHE A 77 -0.487 4.792 -3.318 1.00 0.13 C ATOM 1168 CD1 PHE A 77 -0.702 4.297 -2.045 1.00 0.13 C ATOM 1169 CD2 PHE A 77 -0.234 6.142 -3.483 1.00 0.16 C ATOM 1170 CE1 PHE A 77 -0.669 5.142 -0.953 1.00 0.16 C ATOM 1171 CE2 PHE A 77 -0.198 6.984 -2.390 1.00 0.18 C ATOM 1172 CZ PHE A 77 -0.417 6.484 -1.127 1.00 0.18 C ATOM 0 H PHE A 77 1.690 4.462 -5.669 1.00 0.13 H new ATOM 0 HA PHE A 77 0.894 2.605 -3.486 1.00 0.11 H new ATOM 0 HB2 PHE A 77 -0.564 4.430 -5.444 1.00 0.11 H new ATOM 0 HB3 PHE A 77 -1.431 3.244 -4.488 1.00 0.11 H new ATOM 0 HD1 PHE A 77 -0.897 3.244 -1.904 1.00 0.13 H new ATOM 0 HD2 PHE A 77 -0.064 6.539 -4.473 1.00 0.16 H new ATOM 0 HE1 PHE A 77 -0.841 4.749 0.038 1.00 0.16 H new ATOM 0 HE2 PHE A 77 0.002 8.036 -2.526 1.00 0.18 H new ATOM 0 HZ PHE A 77 -0.391 7.144 -0.273 1.00 0.18 H new ATOM 1182 N GLN A 78 0.259 0.635 -4.796 1.00 0.11 N ATOM 1183 CA GLN A 78 0.022 -0.607 -5.597 1.00 0.12 C ATOM 1184 C GLN A 78 -1.335 -1.226 -5.239 1.00 0.09 C ATOM 1185 O GLN A 78 -1.820 -1.074 -4.135 1.00 0.08 O ATOM 1186 CB GLN A 78 1.133 -1.598 -5.293 1.00 0.17 C ATOM 1187 CG GLN A 78 1.767 -2.087 -6.602 1.00 0.76 C ATOM 1188 CD GLN A 78 2.624 -0.967 -7.199 1.00 1.08 C ATOM 1189 OE1 GLN A 78 2.249 0.190 -7.192 1.00 2.41 O ATOM 1190 NE2 GLN A 78 3.782 -1.266 -7.722 1.00 1.17 N ATOM 0 H GLN A 78 0.229 0.513 -3.784 1.00 0.11 H new ATOM 0 HA GLN A 78 0.017 -0.359 -6.658 1.00 0.12 H new ATOM 0 HB2 GLN A 78 1.890 -1.128 -4.665 1.00 0.17 H new ATOM 0 HB3 GLN A 78 0.735 -2.444 -4.733 1.00 0.17 H new ATOM 0 HG2 GLN A 78 2.380 -2.969 -6.415 1.00 0.76 H new ATOM 0 HG3 GLN A 78 0.990 -2.382 -7.308 1.00 0.76 H new ATOM 0 HE21 GLN A 78 4.103 -2.234 -7.731 1.00 1.17 H new ATOM 0 HE22 GLN A 78 4.366 -0.531 -8.121 1.00 1.17 H new ATOM 1199 N PHE A 79 -1.912 -1.915 -6.194 1.00 0.13 N ATOM 1200 CA PHE A 79 -3.244 -2.557 -5.959 1.00 0.14 C ATOM 1201 C PHE A 79 -3.121 -4.080 -6.094 1.00 0.14 C ATOM 1202 O PHE A 79 -2.739 -4.575 -7.135 1.00 0.13 O ATOM 1203 CB PHE A 79 -4.240 -2.051 -7.014 1.00 0.21 C ATOM 1204 CG PHE A 79 -4.641 -0.594 -6.728 1.00 0.24 C ATOM 1205 CD1 PHE A 79 -3.695 0.422 -6.737 1.00 0.20 C ATOM 1206 CD2 PHE A 79 -5.963 -0.274 -6.458 1.00 0.33 C ATOM 1207 CE1 PHE A 79 -4.071 1.727 -6.480 1.00 0.22 C ATOM 1208 CE2 PHE A 79 -6.331 1.030 -6.202 1.00 0.36 C ATOM 1209 CZ PHE A 79 -5.388 2.027 -6.213 1.00 0.31 C ATOM 0 H PHE A 79 -1.519 -2.060 -7.124 1.00 0.13 H new ATOM 0 HA PHE A 79 -3.590 -2.304 -4.957 1.00 0.14 H new ATOM 0 HB2 PHE A 79 -3.794 -2.123 -8.006 1.00 0.21 H new ATOM 0 HB3 PHE A 79 -5.127 -2.684 -7.017 1.00 0.21 H new ATOM 0 HD1 PHE A 79 -2.661 0.192 -6.946 1.00 0.20 H new ATOM 0 HD2 PHE A 79 -6.711 -1.053 -6.448 1.00 0.33 H new ATOM 0 HE1 PHE A 79 -3.330 2.513 -6.489 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -7.364 1.267 -5.992 1.00 0.36 H new ATOM 0 HZ PHE A 79 -5.679 3.047 -6.012 1.00 0.31 H new ATOM 1219 N PHE A 80 -3.447 -4.789 -5.037 1.00 0.13 N ATOM 1220 CA PHE A 80 -3.365 -6.285 -5.094 1.00 0.13 C ATOM 1221 C PHE A 80 -4.751 -6.889 -4.840 1.00 0.15 C ATOM 1222 O PHE A 80 -5.398 -6.572 -3.858 1.00 0.19 O ATOM 1223 CB PHE A 80 -2.385 -6.776 -4.027 1.00 0.09 C ATOM 1224 CG PHE A 80 -0.952 -6.486 -4.480 1.00 0.09 C ATOM 1225 CD1 PHE A 80 -0.350 -7.260 -5.458 1.00 0.07 C ATOM 1226 CD2 PHE A 80 -0.239 -5.446 -3.914 1.00 0.14 C ATOM 1227 CE1 PHE A 80 0.944 -6.993 -5.860 1.00 0.12 C ATOM 1228 CE2 PHE A 80 1.054 -5.184 -4.319 1.00 0.18 C ATOM 1229 CZ PHE A 80 1.643 -5.957 -5.289 1.00 0.18 C ATOM 0 H PHE A 80 -3.763 -4.402 -4.148 1.00 0.13 H new ATOM 0 HA PHE A 80 -3.017 -6.594 -6.080 1.00 0.13 H new ATOM 0 HB2 PHE A 80 -2.585 -6.279 -3.078 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.516 -7.845 -3.861 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -0.895 -8.076 -5.908 1.00 0.07 H new ATOM 0 HD2 PHE A 80 -0.697 -4.835 -3.150 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.407 -7.599 -6.624 1.00 0.12 H new ATOM 0 HE2 PHE A 80 1.604 -4.369 -3.872 1.00 0.18 H new ATOM 0 HZ PHE A 80 2.656 -5.751 -5.603 1.00 0.18 H new ATOM 1239 N LYS A 81 -5.176 -7.741 -5.739 1.00 0.42 N ATOM 1240 CA LYS A 81 -6.522 -8.383 -5.585 1.00 0.51 C ATOM 1241 C LYS A 81 -6.400 -9.900 -5.770 1.00 0.66 C ATOM 1242 O LYS A 81 -5.737 -10.368 -6.673 1.00 0.69 O ATOM 1243 CB LYS A 81 -7.470 -7.798 -6.646 1.00 0.62 C ATOM 1244 CG LYS A 81 -8.840 -8.498 -6.584 1.00 0.71 C ATOM 1245 CD LYS A 81 -9.433 -8.344 -5.182 1.00 1.43 C ATOM 1246 CE LYS A 81 -10.959 -8.442 -5.270 1.00 1.24 C ATOM 1247 NZ LYS A 81 -11.361 -9.506 -6.232 1.00 1.42 N ATOM 0 H LYS A 81 -4.654 -8.020 -6.570 1.00 0.42 H new ATOM 0 HA LYS A 81 -6.916 -8.185 -4.588 1.00 0.51 H new ATOM 0 HB2 LYS A 81 -7.593 -6.727 -6.482 1.00 0.62 H new ATOM 0 HB3 LYS A 81 -7.036 -7.921 -7.638 1.00 0.62 H new ATOM 0 HG2 LYS A 81 -9.514 -8.066 -7.324 1.00 0.71 H new ATOM 0 HG3 LYS A 81 -8.731 -9.554 -6.830 1.00 0.71 H new ATOM 0 HD2 LYS A 81 -9.044 -9.119 -4.522 1.00 1.43 H new ATOM 0 HD3 LYS A 81 -9.142 -7.385 -4.754 1.00 1.43 H new ATOM 0 HE2 LYS A 81 -11.372 -8.660 -4.285 1.00 1.24 H new ATOM 0 HE3 LYS A 81 -11.373 -7.484 -5.585 1.00 1.24 H new ATOM 0 HZ1 LYS A 81 -12.317 -9.842 -5.998 1.00 1.42 H new ATOM 0 HZ2 LYS A 81 -11.356 -9.121 -7.198 1.00 1.42 H new ATOM 0 HZ3 LYS A 81 -10.691 -10.299 -6.172 1.00 1.42 H new ATOM 1261 N LYS A 82 -7.052 -10.635 -4.909 1.00 0.82 N ATOM 1262 CA LYS A 82 -6.990 -12.126 -5.010 1.00 1.00 C ATOM 1263 C LYS A 82 -5.534 -12.604 -4.959 1.00 0.83 C ATOM 1264 O LYS A 82 -5.241 -13.742 -5.268 1.00 1.02 O ATOM 1265 CB LYS A 82 -7.632 -12.580 -6.327 1.00 1.19 C ATOM 1266 CG LYS A 82 -8.987 -13.246 -6.043 1.00 1.43 C ATOM 1267 CD LYS A 82 -8.762 -14.697 -5.596 1.00 0.64 C ATOM 1268 CE LYS A 82 -10.120 -15.372 -5.395 1.00 0.76 C ATOM 1269 NZ LYS A 82 -10.600 -15.970 -6.673 1.00 1.31 N ATOM 0 H LYS A 82 -7.622 -10.273 -4.144 1.00 0.82 H new ATOM 0 HA LYS A 82 -7.533 -12.558 -4.169 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -7.768 -11.725 -6.989 1.00 1.19 H new ATOM 0 HB3 LYS A 82 -6.973 -13.280 -6.841 1.00 1.19 H new ATOM 0 HG2 LYS A 82 -9.520 -12.694 -5.268 1.00 1.43 H new ATOM 0 HG3 LYS A 82 -9.610 -13.222 -6.937 1.00 1.43 H new ATOM 0 HD2 LYS A 82 -8.181 -15.236 -6.344 1.00 0.64 H new ATOM 0 HD3 LYS A 82 -8.189 -14.721 -4.669 1.00 0.64 H new ATOM 0 HE2 LYS A 82 -10.038 -16.146 -4.632 1.00 0.76 H new ATOM 0 HE3 LYS A 82 -10.845 -14.643 -5.033 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 -11.523 -16.424 -6.519 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 -10.697 -15.224 -7.391 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 -9.916 -16.680 -7.003 1.00 1.31 H new ATOM 1283 N GLY A 83 -4.652 -11.725 -4.570 1.00 0.52 N ATOM 1284 CA GLY A 83 -3.215 -12.118 -4.489 1.00 0.43 C ATOM 1285 C GLY A 83 -2.506 -11.850 -5.817 1.00 0.22 C ATOM 1286 O GLY A 83 -1.443 -12.383 -6.071 1.00 0.27 O ATOM 0 H GLY A 83 -4.860 -10.762 -4.307 1.00 0.52 H new ATOM 0 HA2 GLY A 83 -2.725 -11.561 -3.690 1.00 0.43 H new ATOM 0 HA3 GLY A 83 -3.136 -13.175 -4.235 1.00 0.43 H new ATOM 1290 N GLN A 84 -3.111 -11.031 -6.637 1.00 0.17 N ATOM 1291 CA GLN A 84 -2.490 -10.708 -7.958 1.00 0.18 C ATOM 1292 C GLN A 84 -2.576 -9.203 -8.223 1.00 0.19 C ATOM 1293 O GLN A 84 -3.589 -8.583 -7.973 1.00 0.23 O ATOM 1294 CB GLN A 84 -3.229 -11.464 -9.062 1.00 0.40 C ATOM 1295 CG GLN A 84 -2.838 -12.943 -9.008 1.00 1.13 C ATOM 1296 CD GLN A 84 -1.470 -13.131 -9.668 1.00 2.68 C ATOM 1297 OE1 GLN A 84 -1.204 -12.605 -10.731 1.00 3.12 O ATOM 1298 NE2 GLN A 84 -0.576 -13.874 -9.073 1.00 4.09 N ATOM 0 H GLN A 84 -4.004 -10.573 -6.452 1.00 0.17 H new ATOM 0 HA GLN A 84 -1.442 -11.007 -7.945 1.00 0.18 H new ATOM 0 HB2 GLN A 84 -4.306 -11.355 -8.935 1.00 0.40 H new ATOM 0 HB3 GLN A 84 -2.979 -11.045 -10.037 1.00 0.40 H new ATOM 0 HG2 GLN A 84 -2.805 -13.284 -7.973 1.00 1.13 H new ATOM 0 HG3 GLN A 84 -3.587 -13.548 -9.519 1.00 1.13 H new ATOM 0 HE21 GLN A 84 -0.794 -14.318 -8.181 1.00 4.09 H new ATOM 0 HE22 GLN A 84 0.340 -14.010 -9.500 1.00 4.09 H new ATOM 1307 N LYS A 85 -1.507 -8.651 -8.724 1.00 0.20 N ATOM 1308 CA LYS A 85 -1.501 -7.191 -9.006 1.00 0.20 C ATOM 1309 C LYS A 85 -2.502 -6.863 -10.118 1.00 0.23 C ATOM 1310 O LYS A 85 -2.587 -7.569 -11.105 1.00 0.26 O ATOM 1311 CB LYS A 85 -0.090 -6.784 -9.443 1.00 0.21 C ATOM 1312 CG LYS A 85 0.065 -5.259 -9.384 1.00 0.23 C ATOM 1313 CD LYS A 85 1.553 -4.917 -9.282 1.00 0.31 C ATOM 1314 CE LYS A 85 2.285 -5.499 -10.492 1.00 0.53 C ATOM 1315 NZ LYS A 85 2.767 -6.878 -10.196 1.00 1.83 N ATOM 0 H LYS A 85 -0.643 -9.144 -8.949 1.00 0.20 H new ATOM 0 HA LYS A 85 -1.789 -6.643 -8.109 1.00 0.20 H new ATOM 0 HB2 LYS A 85 0.649 -7.257 -8.796 1.00 0.21 H new ATOM 0 HB3 LYS A 85 0.100 -7.137 -10.456 1.00 0.21 H new ATOM 0 HG2 LYS A 85 -0.367 -4.801 -10.274 1.00 0.23 H new ATOM 0 HG3 LYS A 85 -0.474 -4.858 -8.526 1.00 0.23 H new ATOM 0 HD2 LYS A 85 1.689 -3.836 -9.245 1.00 0.31 H new ATOM 0 HD3 LYS A 85 1.970 -5.322 -8.360 1.00 0.31 H new ATOM 0 HE2 LYS A 85 1.618 -5.518 -11.354 1.00 0.53 H new ATOM 0 HE3 LYS A 85 3.129 -4.861 -10.756 1.00 0.53 H new ATOM 0 HZ1 LYS A 85 3.768 -6.961 -10.465 1.00 1.83 H new ATOM 0 HZ2 LYS A 85 2.665 -7.071 -9.179 1.00 1.83 H new ATOM 0 HZ3 LYS A 85 2.205 -7.566 -10.737 1.00 1.83 H new ATOM 1329 N VAL A 86 -3.238 -5.796 -9.930 1.00 0.24 N ATOM 1330 CA VAL A 86 -4.245 -5.394 -10.964 1.00 0.28 C ATOM 1331 C VAL A 86 -4.097 -3.905 -11.302 1.00 0.32 C ATOM 1332 O VAL A 86 -4.456 -3.474 -12.380 1.00 0.40 O ATOM 1333 CB VAL A 86 -5.647 -5.653 -10.418 1.00 0.29 C ATOM 1334 CG1 VAL A 86 -6.027 -7.111 -10.681 1.00 0.33 C ATOM 1335 CG2 VAL A 86 -5.655 -5.393 -8.911 1.00 0.29 C ATOM 0 H VAL A 86 -3.187 -5.189 -9.112 1.00 0.24 H new ATOM 0 HA VAL A 86 -4.081 -5.977 -11.870 1.00 0.28 H new ATOM 0 HB VAL A 86 -6.362 -4.993 -10.909 1.00 0.29 H new ATOM 0 HG11 VAL A 86 -7.028 -7.302 -10.293 1.00 0.33 H new ATOM 0 HG12 VAL A 86 -6.011 -7.303 -11.754 1.00 0.33 H new ATOM 0 HG13 VAL A 86 -5.314 -7.768 -10.184 1.00 0.33 H new ATOM 0 HG21 VAL A 86 -6.654 -5.576 -8.515 1.00 0.29 H new ATOM 0 HG22 VAL A 86 -4.944 -6.059 -8.423 1.00 0.29 H new ATOM 0 HG23 VAL A 86 -5.373 -4.358 -8.719 1.00 0.29 H new ATOM 1345 N GLY A 87 -3.572 -3.152 -10.373 1.00 0.24 N ATOM 1346 CA GLY A 87 -3.399 -1.693 -10.629 1.00 0.26 C ATOM 1347 C GLY A 87 -2.156 -1.167 -9.912 1.00 0.22 C ATOM 1348 O GLY A 87 -1.694 -1.754 -8.955 1.00 0.23 O ATOM 0 H GLY A 87 -3.259 -3.479 -9.459 1.00 0.24 H new ATOM 0 HA2 GLY A 87 -3.311 -1.514 -11.701 1.00 0.26 H new ATOM 0 HA3 GLY A 87 -4.280 -1.151 -10.286 1.00 0.26 H new ATOM 1352 N GLU A 88 -1.635 -0.073 -10.396 1.00 0.21 N ATOM 1353 CA GLU A 88 -0.426 0.502 -9.741 1.00 0.20 C ATOM 1354 C GLU A 88 -0.115 1.889 -10.309 1.00 0.23 C ATOM 1355 O GLU A 88 0.063 2.055 -11.499 1.00 0.29 O ATOM 1356 CB GLU A 88 0.764 -0.423 -9.990 1.00 0.24 C ATOM 1357 CG GLU A 88 1.073 -0.450 -11.488 1.00 0.66 C ATOM 1358 CD GLU A 88 1.701 -1.797 -11.851 1.00 1.19 C ATOM 1359 OE1 GLU A 88 2.909 -1.890 -11.702 1.00 0.98 O ATOM 1360 OE2 GLU A 88 0.938 -2.659 -12.257 1.00 2.40 O ATOM 0 H GLU A 88 -1.987 0.441 -11.204 1.00 0.21 H new ATOM 0 HA GLU A 88 -0.614 0.596 -8.671 1.00 0.20 H new ATOM 0 HB2 GLU A 88 1.634 -0.075 -9.433 1.00 0.24 H new ATOM 0 HB3 GLU A 88 0.539 -1.429 -9.634 1.00 0.24 H new ATOM 0 HG2 GLU A 88 0.160 -0.295 -12.062 1.00 0.66 H new ATOM 0 HG3 GLU A 88 1.753 0.362 -11.745 1.00 0.66 H new ATOM 1367 N PHE A 89 -0.059 2.852 -9.435 1.00 0.18 N ATOM 1368 CA PHE A 89 0.255 4.230 -9.876 1.00 0.21 C ATOM 1369 C PHE A 89 0.931 4.996 -8.736 1.00 0.18 C ATOM 1370 O PHE A 89 0.491 4.940 -7.601 1.00 0.17 O ATOM 1371 CB PHE A 89 -1.046 4.904 -10.292 1.00 0.22 C ATOM 1372 CG PHE A 89 -1.709 5.596 -9.096 1.00 0.17 C ATOM 1373 CD1 PHE A 89 -1.258 6.828 -8.646 1.00 0.11 C ATOM 1374 CD2 PHE A 89 -2.775 4.996 -8.449 1.00 0.29 C ATOM 1375 CE1 PHE A 89 -1.866 7.443 -7.569 1.00 0.23 C ATOM 1376 CE2 PHE A 89 -3.380 5.613 -7.376 1.00 0.42 C ATOM 1377 CZ PHE A 89 -2.927 6.835 -6.936 1.00 0.40 C ATOM 0 H PHE A 89 -0.218 2.741 -8.434 1.00 0.18 H new ATOM 0 HA PHE A 89 0.942 4.217 -10.722 1.00 0.21 H new ATOM 0 HB2 PHE A 89 -0.847 5.635 -11.076 1.00 0.22 H new ATOM 0 HB3 PHE A 89 -1.726 4.163 -10.712 1.00 0.22 H new ATOM 0 HD1 PHE A 89 -0.427 7.309 -9.140 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -3.136 4.036 -8.788 1.00 0.29 H new ATOM 0 HE1 PHE A 89 -1.509 8.402 -7.223 1.00 0.23 H new ATOM 0 HE2 PHE A 89 -4.212 5.136 -6.879 1.00 0.42 H new ATOM 0 HZ PHE A 89 -3.403 7.317 -6.095 1.00 0.40 H new ATOM 1387 N SER A 90 1.993 5.689 -9.062 1.00 0.27 N ATOM 1388 CA SER A 90 2.728 6.456 -8.010 1.00 0.32 C ATOM 1389 C SER A 90 2.545 7.958 -8.208 1.00 0.22 C ATOM 1390 O SER A 90 1.943 8.394 -9.171 1.00 0.17 O ATOM 1391 CB SER A 90 4.213 6.114 -8.094 1.00 0.51 C ATOM 1392 OG SER A 90 4.639 6.716 -9.308 1.00 0.53 O ATOM 0 H SER A 90 2.381 5.757 -10.003 1.00 0.27 H new ATOM 0 HA SER A 90 2.330 6.184 -7.032 1.00 0.32 H new ATOM 0 HB2 SER A 90 4.762 6.509 -7.239 1.00 0.51 H new ATOM 0 HB3 SER A 90 4.374 5.036 -8.106 1.00 0.51 H new ATOM 0 HG SER A 90 5.595 6.544 -9.441 1.00 0.53 H new ATOM 1398 N GLY A 91 3.077 8.715 -7.280 1.00 0.22 N ATOM 1399 CA GLY A 91 2.960 10.201 -7.370 1.00 0.19 C ATOM 1400 C GLY A 91 2.202 10.743 -6.159 1.00 0.26 C ATOM 1401 O GLY A 91 1.173 10.219 -5.782 1.00 0.46 O ATOM 0 H GLY A 91 3.586 8.368 -6.467 1.00 0.22 H new ATOM 0 HA2 GLY A 91 3.952 10.649 -7.418 1.00 0.19 H new ATOM 0 HA3 GLY A 91 2.441 10.478 -8.287 1.00 0.19 H new ATOM 1405 N ALA A 92 2.727 11.784 -5.573 1.00 0.20 N ATOM 1406 CA ALA A 92 2.049 12.374 -4.384 1.00 0.29 C ATOM 1407 C ALA A 92 0.586 12.691 -4.707 1.00 0.21 C ATOM 1408 O ALA A 92 0.258 13.793 -5.099 1.00 0.74 O ATOM 1409 CB ALA A 92 2.771 13.660 -3.987 1.00 0.48 C ATOM 0 H ALA A 92 3.588 12.248 -5.862 1.00 0.20 H new ATOM 0 HA ALA A 92 2.079 11.658 -3.563 1.00 0.29 H new ATOM 0 HB1 ALA A 92 2.281 14.099 -3.118 1.00 0.48 H new ATOM 0 HB2 ALA A 92 3.809 13.434 -3.743 1.00 0.48 H new ATOM 0 HB3 ALA A 92 2.738 14.366 -4.816 1.00 0.48 H new ATOM 1415 N ASN A 93 -0.264 11.715 -4.539 1.00 0.39 N ATOM 1416 CA ASN A 93 -1.708 11.945 -4.830 1.00 0.42 C ATOM 1417 C ASN A 93 -2.576 11.055 -3.934 1.00 0.47 C ATOM 1418 O ASN A 93 -2.649 9.859 -4.130 1.00 0.43 O ATOM 1419 CB ASN A 93 -1.982 11.616 -6.297 1.00 0.41 C ATOM 1420 CG ASN A 93 -2.869 12.705 -6.908 1.00 0.27 C ATOM 1421 OD1 ASN A 93 -2.749 13.038 -8.070 1.00 0.44 O ATOM 1422 ND2 ASN A 93 -3.770 13.283 -6.161 1.00 0.15 N ATOM 0 H ASN A 93 -0.025 10.777 -4.216 1.00 0.39 H new ATOM 0 HA ASN A 93 -1.953 12.989 -4.632 1.00 0.42 H new ATOM 0 HB2 ASN A 93 -1.043 11.546 -6.846 1.00 0.41 H new ATOM 0 HB3 ASN A 93 -2.472 10.646 -6.378 1.00 0.41 H new ATOM 0 HD21 ASN A 93 -4.368 14.010 -6.554 1.00 0.15 H new ATOM 0 HD22 ASN A 93 -3.876 13.008 -5.185 1.00 0.15 H new ATOM 1429 N LYS A 94 -3.214 11.664 -2.971 1.00 0.65 N ATOM 1430 CA LYS A 94 -4.082 10.875 -2.043 1.00 0.73 C ATOM 1431 C LYS A 94 -5.559 11.022 -2.434 1.00 0.73 C ATOM 1432 O LYS A 94 -6.334 10.098 -2.291 1.00 0.81 O ATOM 1433 CB LYS A 94 -3.879 11.381 -0.612 1.00 1.01 C ATOM 1434 CG LYS A 94 -4.012 12.909 -0.581 1.00 0.65 C ATOM 1435 CD LYS A 94 -2.683 13.518 -0.131 1.00 0.99 C ATOM 1436 CE LYS A 94 -2.792 15.044 -0.175 1.00 0.49 C ATOM 1437 NZ LYS A 94 -3.959 15.505 0.628 1.00 1.65 N ATOM 0 H LYS A 94 -3.174 12.666 -2.786 1.00 0.65 H new ATOM 0 HA LYS A 94 -3.807 9.822 -2.108 1.00 0.73 H new ATOM 0 HB2 LYS A 94 -4.615 10.929 0.052 1.00 1.01 H new ATOM 0 HB3 LYS A 94 -2.896 11.084 -0.247 1.00 1.01 H new ATOM 0 HG2 LYS A 94 -4.282 13.283 -1.569 1.00 0.65 H new ATOM 0 HG3 LYS A 94 -4.810 13.203 0.100 1.00 0.65 H new ATOM 0 HD2 LYS A 94 -2.440 13.187 0.879 1.00 0.99 H new ATOM 0 HD3 LYS A 94 -1.875 13.180 -0.780 1.00 0.99 H new ATOM 0 HE2 LYS A 94 -1.877 15.492 0.212 1.00 0.49 H new ATOM 0 HE3 LYS A 94 -2.898 15.378 -1.207 1.00 0.49 H new ATOM 0 HZ1 LYS A 94 -3.879 16.527 0.802 1.00 1.65 H new ATOM 0 HZ2 LYS A 94 -4.838 15.310 0.107 1.00 1.65 H new ATOM 0 HZ3 LYS A 94 -3.976 15.000 1.537 1.00 1.65 H new ATOM 1451 N GLU A 95 -5.916 12.181 -2.916 1.00 0.71 N ATOM 1452 CA GLU A 95 -7.331 12.404 -3.316 1.00 0.78 C ATOM 1453 C GLU A 95 -7.712 11.468 -4.468 1.00 0.66 C ATOM 1454 O GLU A 95 -8.876 11.247 -4.733 1.00 0.76 O ATOM 1455 CB GLU A 95 -7.501 13.856 -3.758 1.00 0.94 C ATOM 1456 CG GLU A 95 -6.547 14.139 -4.919 1.00 1.82 C ATOM 1457 CD GLU A 95 -7.359 14.461 -6.175 1.00 2.32 C ATOM 1458 OE1 GLU A 95 -7.916 13.520 -6.715 1.00 3.42 O ATOM 1459 OE2 GLU A 95 -7.377 15.631 -6.523 1.00 2.29 O ATOM 0 H GLU A 95 -5.293 12.977 -3.049 1.00 0.71 H new ATOM 0 HA GLU A 95 -7.982 12.195 -2.467 1.00 0.78 H new ATOM 0 HB2 GLU A 95 -8.531 14.038 -4.065 1.00 0.94 H new ATOM 0 HB3 GLU A 95 -7.292 14.529 -2.927 1.00 0.94 H new ATOM 0 HG2 GLU A 95 -5.892 14.975 -4.671 1.00 1.82 H new ATOM 0 HG3 GLU A 95 -5.907 13.275 -5.098 1.00 1.82 H new ATOM 1466 N LYS A 96 -6.717 10.939 -5.127 1.00 0.49 N ATOM 1467 CA LYS A 96 -6.999 10.015 -6.265 1.00 0.50 C ATOM 1468 C LYS A 96 -7.260 8.597 -5.746 1.00 0.37 C ATOM 1469 O LYS A 96 -8.120 7.898 -6.241 1.00 0.39 O ATOM 1470 CB LYS A 96 -5.791 10.000 -7.202 1.00 0.51 C ATOM 1471 CG LYS A 96 -6.119 9.154 -8.434 1.00 0.76 C ATOM 1472 CD LYS A 96 -5.982 10.022 -9.687 1.00 1.13 C ATOM 1473 CE LYS A 96 -4.521 10.456 -9.842 1.00 0.77 C ATOM 1474 NZ LYS A 96 -3.967 9.969 -11.136 1.00 0.57 N ATOM 0 H LYS A 96 -5.730 11.104 -4.930 1.00 0.49 H new ATOM 0 HA LYS A 96 -7.884 10.361 -6.799 1.00 0.50 H new ATOM 0 HB2 LYS A 96 -5.536 11.016 -7.502 1.00 0.51 H new ATOM 0 HB3 LYS A 96 -4.921 9.592 -6.687 1.00 0.51 H new ATOM 0 HG2 LYS A 96 -5.446 8.299 -8.493 1.00 0.76 H new ATOM 0 HG3 LYS A 96 -7.132 8.758 -8.360 1.00 0.76 H new ATOM 0 HD2 LYS A 96 -6.304 9.465 -10.567 1.00 1.13 H new ATOM 0 HD3 LYS A 96 -6.628 10.897 -9.610 1.00 1.13 H new ATOM 0 HE2 LYS A 96 -4.451 11.543 -9.796 1.00 0.77 H new ATOM 0 HE3 LYS A 96 -3.929 10.063 -9.015 1.00 0.77 H new ATOM 0 HZ1 LYS A 96 -2.976 10.272 -11.225 1.00 0.57 H new ATOM 0 HZ2 LYS A 96 -4.016 8.931 -11.166 1.00 0.57 H new ATOM 0 HZ3 LYS A 96 -4.522 10.364 -11.922 1.00 0.57 H new ATOM 1488 N LEU A 97 -6.506 8.207 -4.757 1.00 0.28 N ATOM 1489 CA LEU A 97 -6.687 6.841 -4.181 1.00 0.24 C ATOM 1490 C LEU A 97 -8.177 6.531 -4.000 1.00 0.28 C ATOM 1491 O LEU A 97 -8.666 5.523 -4.472 1.00 0.26 O ATOM 1492 CB LEU A 97 -5.989 6.790 -2.823 1.00 0.30 C ATOM 1493 CG LEU A 97 -4.458 6.693 -3.039 1.00 0.38 C ATOM 1494 CD1 LEU A 97 -3.715 6.996 -1.726 1.00 0.56 C ATOM 1495 CD2 LEU A 97 -4.076 5.274 -3.501 1.00 0.54 C ATOM 0 H LEU A 97 -5.775 8.770 -4.323 1.00 0.28 H new ATOM 0 HA LEU A 97 -6.258 6.102 -4.857 1.00 0.24 H new ATOM 0 HB2 LEU A 97 -6.231 7.681 -2.243 1.00 0.30 H new ATOM 0 HB3 LEU A 97 -6.343 5.932 -2.251 1.00 0.30 H new ATOM 0 HG LEU A 97 -4.175 7.420 -3.800 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -2.640 6.924 -1.891 1.00 0.56 H new ATOM 0 HD12 LEU A 97 -3.964 8.003 -1.391 1.00 0.56 H new ATOM 0 HD13 LEU A 97 -4.014 6.276 -0.964 1.00 0.56 H new ATOM 0 HD21 LEU A 97 -2.998 5.218 -3.650 1.00 0.54 H new ATOM 0 HD22 LEU A 97 -4.376 4.551 -2.742 1.00 0.54 H new ATOM 0 HD23 LEU A 97 -4.584 5.048 -4.439 1.00 0.54 H new ATOM 1507 N GLU A 98 -8.865 7.403 -3.316 1.00 0.36 N ATOM 1508 CA GLU A 98 -10.322 7.177 -3.086 1.00 0.42 C ATOM 1509 C GLU A 98 -11.007 6.723 -4.374 1.00 0.38 C ATOM 1510 O GLU A 98 -11.415 5.588 -4.501 1.00 0.34 O ATOM 1511 CB GLU A 98 -10.961 8.477 -2.603 1.00 0.54 C ATOM 1512 CG GLU A 98 -12.339 8.166 -2.014 1.00 0.85 C ATOM 1513 CD GLU A 98 -12.968 9.457 -1.487 1.00 0.73 C ATOM 1514 OE1 GLU A 98 -12.220 10.413 -1.365 1.00 1.30 O ATOM 1515 OE2 GLU A 98 -14.161 9.414 -1.234 1.00 1.37 O ATOM 0 H GLU A 98 -8.486 8.257 -2.908 1.00 0.36 H new ATOM 0 HA GLU A 98 -10.443 6.397 -2.334 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -10.329 8.951 -1.852 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -11.055 9.180 -3.430 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -12.980 7.720 -2.775 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -12.247 7.438 -1.208 1.00 0.85 H new ATOM 1522 N ALA A 99 -11.119 7.624 -5.295 1.00 0.41 N ATOM 1523 CA ALA A 99 -11.782 7.275 -6.587 1.00 0.41 C ATOM 1524 C ALA A 99 -11.150 6.013 -7.188 1.00 0.31 C ATOM 1525 O ALA A 99 -11.839 5.177 -7.739 1.00 0.27 O ATOM 1526 CB ALA A 99 -11.624 8.440 -7.562 1.00 0.50 C ATOM 0 H ALA A 99 -10.785 8.585 -5.219 1.00 0.41 H new ATOM 0 HA ALA A 99 -12.839 7.083 -6.405 1.00 0.41 H new ATOM 0 HB1 ALA A 99 -12.106 8.191 -8.507 1.00 0.50 H new ATOM 0 HB2 ALA A 99 -12.088 9.332 -7.142 1.00 0.50 H new ATOM 0 HB3 ALA A 99 -10.564 8.629 -7.734 1.00 0.50 H new ATOM 1532 N THR A 100 -9.853 5.898 -7.069 1.00 0.29 N ATOM 1533 CA THR A 100 -9.176 4.693 -7.635 1.00 0.24 C ATOM 1534 C THR A 100 -9.774 3.420 -7.027 1.00 0.27 C ATOM 1535 O THR A 100 -10.029 2.462 -7.728 1.00 0.29 O ATOM 1536 CB THR A 100 -7.678 4.756 -7.337 1.00 0.24 C ATOM 1537 OG1 THR A 100 -7.294 6.084 -7.680 1.00 0.29 O ATOM 1538 CG2 THR A 100 -6.886 3.850 -8.280 1.00 0.28 C ATOM 0 H THR A 100 -9.241 6.574 -6.612 1.00 0.29 H new ATOM 0 HA THR A 100 -9.328 4.674 -8.714 1.00 0.24 H new ATOM 0 HB THR A 100 -7.489 4.463 -6.304 1.00 0.24 H new ATOM 0 HG1 THR A 100 -7.337 6.653 -6.883 1.00 0.29 H new ATOM 0 HG21 THR A 100 -5.824 3.917 -8.043 1.00 0.28 H new ATOM 0 HG22 THR A 100 -7.220 2.819 -8.160 1.00 0.28 H new ATOM 0 HG23 THR A 100 -7.048 4.167 -9.310 1.00 0.28 H new ATOM 1546 N ILE A 101 -9.975 3.427 -5.736 1.00 0.34 N ATOM 1547 CA ILE A 101 -10.581 2.223 -5.098 1.00 0.45 C ATOM 1548 C ILE A 101 -11.922 1.961 -5.765 1.00 0.47 C ATOM 1549 O ILE A 101 -12.275 0.834 -6.048 1.00 0.57 O ATOM 1550 CB ILE A 101 -10.777 2.488 -3.588 1.00 0.56 C ATOM 1551 CG1 ILE A 101 -9.442 2.275 -2.823 1.00 0.51 C ATOM 1552 CG2 ILE A 101 -11.870 1.561 -3.010 1.00 0.67 C ATOM 1553 CD1 ILE A 101 -8.919 0.830 -2.985 1.00 2.66 C ATOM 0 H ILE A 101 -9.751 4.198 -5.107 1.00 0.34 H new ATOM 0 HA ILE A 101 -9.933 1.355 -5.217 1.00 0.45 H new ATOM 0 HB ILE A 101 -11.095 3.523 -3.462 1.00 0.56 H new ATOM 0 HG12 ILE A 101 -8.694 2.977 -3.192 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.589 2.493 -1.765 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -11.993 1.763 -1.946 1.00 0.67 H new ATOM 0 HG22 ILE A 101 -12.813 1.744 -3.526 1.00 0.67 H new ATOM 0 HG23 ILE A 101 -11.576 0.521 -3.150 1.00 0.67 H new ATOM 0 HD11 ILE A 101 -7.984 0.718 -2.437 1.00 2.66 H new ATOM 0 HD12 ILE A 101 -9.656 0.130 -2.592 1.00 2.66 H new ATOM 0 HD13 ILE A 101 -8.748 0.621 -4.041 1.00 2.66 H new ATOM 1565 N ASN A 102 -12.632 3.015 -6.009 1.00 0.43 N ATOM 1566 CA ASN A 102 -13.952 2.872 -6.677 1.00 0.45 C ATOM 1567 C ASN A 102 -13.751 2.232 -8.048 1.00 0.42 C ATOM 1568 O ASN A 102 -14.684 1.763 -8.669 1.00 0.48 O ATOM 1569 CB ASN A 102 -14.572 4.256 -6.847 1.00 0.41 C ATOM 1570 CG ASN A 102 -16.069 4.185 -6.553 1.00 0.50 C ATOM 1571 OD1 ASN A 102 -16.707 3.172 -6.761 1.00 0.55 O ATOM 1572 ND2 ASN A 102 -16.667 5.239 -6.069 1.00 1.03 N ATOM 0 H ASN A 102 -12.360 3.970 -5.777 1.00 0.43 H new ATOM 0 HA ASN A 102 -14.611 2.245 -6.076 1.00 0.45 H new ATOM 0 HB2 ASN A 102 -14.092 4.966 -6.174 1.00 0.41 H new ATOM 0 HB3 ASN A 102 -14.407 4.618 -7.862 1.00 0.41 H new ATOM 0 HD21 ASN A 102 -17.666 5.211 -5.867 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -16.135 6.091 -5.893 1.00 1.03 H new ATOM 1579 N GLU A 103 -12.524 2.232 -8.488 1.00 0.36 N ATOM 1580 CA GLU A 103 -12.214 1.636 -9.816 1.00 0.37 C ATOM 1581 C GLU A 103 -12.223 0.105 -9.732 1.00 0.46 C ATOM 1582 O GLU A 103 -12.825 -0.558 -10.555 1.00 0.53 O ATOM 1583 CB GLU A 103 -10.830 2.113 -10.262 1.00 0.31 C ATOM 1584 CG GLU A 103 -10.765 2.100 -11.790 1.00 0.37 C ATOM 1585 CD GLU A 103 -9.315 2.293 -12.238 1.00 1.19 C ATOM 1586 OE1 GLU A 103 -8.608 1.299 -12.226 1.00 2.24 O ATOM 1587 OE2 GLU A 103 -8.997 3.424 -12.568 1.00 1.64 O ATOM 0 H GLU A 103 -11.724 2.618 -7.986 1.00 0.36 H new ATOM 0 HA GLU A 103 -12.971 1.950 -10.535 1.00 0.37 H new ATOM 0 HB2 GLU A 103 -10.639 3.118 -9.886 1.00 0.31 H new ATOM 0 HB3 GLU A 103 -10.057 1.466 -9.847 1.00 0.31 H new ATOM 0 HG2 GLU A 103 -11.153 1.157 -12.174 1.00 0.37 H new ATOM 0 HG3 GLU A 103 -11.392 2.892 -12.199 1.00 0.37 H new ATOM 1594 N LEU A 104 -11.556 -0.425 -8.735 1.00 0.46 N ATOM 1595 CA LEU A 104 -11.504 -1.915 -8.593 1.00 0.55 C ATOM 1596 C LEU A 104 -12.504 -2.403 -7.530 1.00 0.64 C ATOM 1597 O LEU A 104 -12.679 -3.593 -7.350 1.00 0.76 O ATOM 1598 CB LEU A 104 -10.087 -2.335 -8.185 1.00 0.48 C ATOM 1599 CG LEU A 104 -9.057 -1.604 -9.059 1.00 0.43 C ATOM 1600 CD1 LEU A 104 -7.665 -2.190 -8.800 1.00 0.41 C ATOM 1601 CD2 LEU A 104 -9.410 -1.798 -10.537 1.00 0.51 C ATOM 0 H LEU A 104 -11.051 0.101 -8.022 1.00 0.46 H new ATOM 0 HA LEU A 104 -11.770 -2.363 -9.550 1.00 0.55 H new ATOM 0 HB2 LEU A 104 -9.917 -2.102 -7.134 1.00 0.48 H new ATOM 0 HB3 LEU A 104 -9.971 -3.413 -8.295 1.00 0.48 H new ATOM 0 HG LEU A 104 -9.065 -0.542 -8.814 1.00 0.43 H new ATOM 0 HD11 LEU A 104 -6.932 -1.673 -9.419 1.00 0.41 H new ATOM 0 HD12 LEU A 104 -7.407 -2.063 -7.749 1.00 0.41 H new ATOM 0 HD13 LEU A 104 -7.665 -3.251 -9.048 1.00 0.41 H new ATOM 0 HD21 LEU A 104 -8.679 -1.279 -11.157 1.00 0.51 H new ATOM 0 HD22 LEU A 104 -9.400 -2.861 -10.777 1.00 0.51 H new ATOM 0 HD23 LEU A 104 -10.403 -1.392 -10.730 1.00 0.51 H new ATOM 1613 N VAL A 105 -13.140 -1.486 -6.850 1.00 0.59 N ATOM 1614 CA VAL A 105 -14.124 -1.914 -5.804 1.00 0.70 C ATOM 1615 C VAL A 105 -15.045 -3.000 -6.368 1.00 0.83 C ATOM 1616 O VAL A 105 -15.401 -3.867 -5.587 1.00 0.81 O ATOM 1617 CB VAL A 105 -14.965 -0.712 -5.369 1.00 0.71 C ATOM 1618 CG1 VAL A 105 -15.938 -0.347 -6.494 1.00 0.74 C ATOM 1619 CG2 VAL A 105 -15.764 -1.076 -4.112 1.00 0.84 C ATOM 1620 OXT VAL A 105 -15.342 -2.899 -7.547 1.00 1.93 O ATOM 0 H VAL A 105 -13.027 -0.479 -6.967 1.00 0.59 H new ATOM 0 HA VAL A 105 -13.582 -2.311 -4.946 1.00 0.70 H new ATOM 0 HB VAL A 105 -14.311 0.133 -5.155 1.00 0.71 H new ATOM 0 HG11 VAL A 105 -16.541 0.509 -6.190 1.00 0.74 H new ATOM 0 HG12 VAL A 105 -15.376 -0.095 -7.393 1.00 0.74 H new ATOM 0 HG13 VAL A 105 -16.591 -1.195 -6.700 1.00 0.74 H new ATOM 0 HG21 VAL A 105 -16.363 -0.220 -3.801 1.00 0.84 H new ATOM 0 HG22 VAL A 105 -16.420 -1.919 -4.329 1.00 0.84 H new ATOM 0 HG23 VAL A 105 -15.077 -1.348 -3.310 1.00 0.84 H new