USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 619 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 174:sc= 0 (180deg=-0.038) USER MOD Single : A 9 TYR OH : rot -171:sc= -3.7! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= -1.68! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.095) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.87 K(o=-2.9,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.111) USER MOD Single : A 47 THR OG1 : rot 57:sc= 0.0632 USER MOD Single : A 49 TYR OH : rot 80:sc= 0.849 USER MOD Single : A 51 GLN : amide:sc=-0.00523 X(o=-0.0052,f=-0.39) USER MOD Single : A 52 MET CE :methyl -165:sc= -0.1 (180deg=-0.325) USER MOD Single : A 54 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.53) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.233 9.839 2.142 1.00 0.00 N ATOM 2 CA ALA A 1 19.277 8.687 1.198 1.00 0.00 C ATOM 3 C ALA A 1 19.417 7.387 1.990 1.00 0.00 C ATOM 4 O ALA A 1 20.182 6.512 1.634 1.00 0.00 O ATOM 5 CB ALA A 1 20.473 8.842 0.256 1.00 0.00 C ATOM 0 H1 ALA A 1 19.240 10.729 1.604 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.366 9.787 2.713 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.063 9.806 2.768 1.00 0.00 H new ATOM 0 HA ALA A 1 18.357 8.661 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.504 7.999 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.374 9.769 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.394 8.868 0.839 1.00 0.00 H new ATOM 13 N GLU A 2 18.686 7.252 3.063 1.00 0.00 N ATOM 14 CA GLU A 2 18.779 6.008 3.876 1.00 0.00 C ATOM 15 C GLU A 2 17.564 5.129 3.605 1.00 0.00 C ATOM 16 O GLU A 2 16.792 5.386 2.703 1.00 0.00 O ATOM 17 CB GLU A 2 18.835 6.370 5.363 1.00 0.00 C ATOM 18 CG GLU A 2 19.993 7.339 5.605 1.00 0.00 C ATOM 19 CD GLU A 2 20.780 6.899 6.841 1.00 0.00 C ATOM 20 OE1 GLU A 2 20.252 7.031 7.933 1.00 0.00 O ATOM 21 OE2 GLU A 2 21.896 6.437 6.675 1.00 0.00 O ATOM 0 H GLU A 2 18.029 7.950 3.411 1.00 0.00 H new ATOM 0 HA GLU A 2 19.684 5.464 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.894 6.825 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 2 18.968 5.470 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 2 20.648 7.364 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.611 8.350 5.745 1.00 0.00 H new ATOM 28 N ILE A 3 17.389 4.085 4.367 1.00 0.00 N ATOM 29 CA ILE A 3 16.223 3.198 4.125 1.00 0.00 C ATOM 30 C ILE A 3 16.497 2.346 2.878 1.00 0.00 C ATOM 31 O ILE A 3 16.951 2.841 1.866 1.00 0.00 O ATOM 32 CB ILE A 3 14.970 4.080 3.953 1.00 0.00 C ATOM 33 CG1 ILE A 3 13.921 3.675 4.991 1.00 0.00 C ATOM 34 CG2 ILE A 3 14.385 3.957 2.543 1.00 0.00 C ATOM 35 CD1 ILE A 3 13.647 2.174 4.882 1.00 0.00 C ATOM 0 H ILE A 3 17.997 3.812 5.139 1.00 0.00 H new ATOM 0 HA ILE A 3 16.057 2.521 4.963 1.00 0.00 H new ATOM 0 HB ILE A 3 15.259 5.120 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 3 14.273 3.919 5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.000 4.236 4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 3 13.503 4.592 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.130 4.270 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.105 2.921 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 3 12.900 1.886 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 3 13.277 1.943 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 3 14.569 1.622 5.064 1.00 0.00 H new ATOM 47 N GLU A 4 16.233 1.070 2.946 1.00 0.00 N ATOM 48 CA GLU A 4 16.490 0.200 1.764 1.00 0.00 C ATOM 49 C GLU A 4 15.207 -0.527 1.358 1.00 0.00 C ATOM 50 O GLU A 4 14.301 -0.702 2.150 1.00 0.00 O ATOM 51 CB GLU A 4 17.563 -0.831 2.118 1.00 0.00 C ATOM 52 CG GLU A 4 18.505 -1.014 0.927 1.00 0.00 C ATOM 53 CD GLU A 4 19.951 -1.049 1.422 1.00 0.00 C ATOM 54 OE1 GLU A 4 20.226 -0.422 2.430 1.00 0.00 O ATOM 55 OE2 GLU A 4 20.759 -1.705 0.783 1.00 0.00 O ATOM 0 H GLU A 4 15.853 0.594 3.764 1.00 0.00 H new ATOM 0 HA GLU A 4 16.829 0.819 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 4 18.124 -0.502 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 4 17.098 -1.782 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 4 18.267 -1.938 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.372 -0.199 0.216 1.00 0.00 H new ATOM 62 N VAL A 5 15.128 -0.954 0.127 1.00 0.00 N ATOM 63 CA VAL A 5 13.911 -1.675 -0.338 1.00 0.00 C ATOM 64 C VAL A 5 13.778 -2.986 0.437 1.00 0.00 C ATOM 65 O VAL A 5 14.684 -3.403 1.130 1.00 0.00 O ATOM 66 CB VAL A 5 14.036 -1.956 -1.838 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.044 -3.046 -2.254 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.729 -0.673 -2.607 1.00 0.00 C ATOM 0 H VAL A 5 15.856 -0.834 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 5 13.024 -1.067 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 5 15.048 -2.295 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.141 -3.238 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.255 -3.961 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.028 -2.716 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.815 -0.861 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.716 -0.344 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.437 0.103 -2.317 1.00 0.00 H new ATOM 78 N GLY A 6 12.651 -3.635 0.339 1.00 0.00 N ATOM 79 CA GLY A 6 12.464 -4.908 1.086 1.00 0.00 C ATOM 80 C GLY A 6 12.250 -4.589 2.566 1.00 0.00 C ATOM 81 O GLY A 6 12.122 -5.472 3.392 1.00 0.00 O ATOM 0 H GLY A 6 11.854 -3.339 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.608 -5.454 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.336 -5.550 0.961 1.00 0.00 H new ATOM 85 N ARG A 7 12.209 -3.327 2.909 1.00 0.00 N ATOM 86 CA ARG A 7 12.002 -2.941 4.332 1.00 0.00 C ATOM 87 C ARG A 7 10.502 -2.825 4.609 1.00 0.00 C ATOM 88 O ARG A 7 9.684 -3.086 3.751 1.00 0.00 O ATOM 89 CB ARG A 7 12.671 -1.589 4.585 1.00 0.00 C ATOM 90 CG ARG A 7 12.956 -1.425 6.078 1.00 0.00 C ATOM 91 CD ARG A 7 14.379 -0.903 6.271 1.00 0.00 C ATOM 92 NE ARG A 7 15.300 -2.053 6.491 1.00 0.00 N ATOM 93 CZ ARG A 7 16.584 -1.903 6.312 1.00 0.00 C ATOM 94 NH1 ARG A 7 17.233 -0.989 6.978 1.00 0.00 N ATOM 95 NH2 ARG A 7 17.219 -2.669 5.466 1.00 0.00 N ATOM 0 H ARG A 7 12.311 -2.546 2.260 1.00 0.00 H new ATOM 0 HA ARG A 7 12.437 -3.695 4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.600 -1.520 4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.025 -0.782 4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.240 -0.733 6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.835 -2.380 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.692 -0.334 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.417 -0.224 7.123 1.00 0.00 H new ATOM 0 HE ARG A 7 14.927 -2.957 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.737 -0.391 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.237 -0.872 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.711 -3.384 4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.223 -2.552 5.326 1.00 0.00 H new ATOM 109 N VAL A 8 10.132 -2.431 5.797 1.00 0.00 N ATOM 110 CA VAL A 8 8.682 -2.294 6.112 1.00 0.00 C ATOM 111 C VAL A 8 8.303 -0.813 6.072 1.00 0.00 C ATOM 112 O VAL A 8 8.832 -0.007 6.811 1.00 0.00 O ATOM 113 CB VAL A 8 8.401 -2.865 7.504 1.00 0.00 C ATOM 114 CG1 VAL A 8 6.978 -2.499 7.933 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.540 -4.388 7.461 1.00 0.00 C ATOM 0 H VAL A 8 10.768 -2.199 6.560 1.00 0.00 H new ATOM 0 HA VAL A 8 8.091 -2.843 5.379 1.00 0.00 H new ATOM 0 HB VAL A 8 9.112 -2.449 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.781 -2.907 8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.874 -1.414 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.265 -2.915 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.341 -4.800 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.826 -4.798 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.552 -4.652 7.155 1.00 0.00 H new ATOM 125 N TYR A 9 7.395 -0.443 5.211 1.00 0.00 N ATOM 126 CA TYR A 9 6.996 0.990 5.124 1.00 0.00 C ATOM 127 C TYR A 9 5.633 1.191 5.776 1.00 0.00 C ATOM 128 O TYR A 9 4.680 0.507 5.466 1.00 0.00 O ATOM 129 CB TYR A 9 6.896 1.416 3.661 1.00 0.00 C ATOM 130 CG TYR A 9 8.209 1.998 3.200 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.412 1.336 3.477 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.220 3.204 2.493 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.626 1.882 3.043 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.432 3.750 2.060 1.00 0.00 C ATOM 135 CZ TYR A 9 10.636 3.090 2.335 1.00 0.00 C ATOM 136 OH TYR A 9 11.833 3.629 1.908 1.00 0.00 O ATOM 0 H TYR A 9 6.913 -1.069 4.566 1.00 0.00 H new ATOM 0 HA TYR A 9 7.748 1.589 5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.632 0.559 3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.101 2.152 3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.403 0.405 4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.292 3.714 2.281 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.554 1.372 3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.440 4.681 1.513 1.00 0.00 H new ATOM 0 HH TYR A 9 11.679 4.532 1.560 1.00 0.00 H new ATOM 146 N THR A 10 5.517 2.145 6.651 1.00 0.00 N ATOM 147 CA THR A 10 4.197 2.396 7.282 1.00 0.00 C ATOM 148 C THR A 10 3.312 3.084 6.250 1.00 0.00 C ATOM 149 O THR A 10 3.404 4.276 6.030 1.00 0.00 O ATOM 150 CB THR A 10 4.358 3.289 8.511 1.00 0.00 C ATOM 151 OG1 THR A 10 5.512 2.891 9.238 1.00 0.00 O ATOM 152 CG2 THR A 10 3.119 3.145 9.392 1.00 0.00 C ATOM 0 H THR A 10 6.273 2.758 6.955 1.00 0.00 H new ATOM 0 HA THR A 10 3.749 1.456 7.605 1.00 0.00 H new ATOM 0 HB THR A 10 4.471 4.328 8.203 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.617 3.465 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.223 3.779 10.273 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.236 3.448 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.013 2.106 9.703 1.00 0.00 H new ATOM 160 N GLY A 11 2.478 2.336 5.592 1.00 0.00 N ATOM 161 CA GLY A 11 1.608 2.933 4.544 1.00 0.00 C ATOM 162 C GLY A 11 0.435 3.672 5.184 1.00 0.00 C ATOM 163 O GLY A 11 -0.372 3.093 5.886 1.00 0.00 O ATOM 0 H GLY A 11 2.360 1.333 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.188 3.621 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.236 2.151 3.882 1.00 0.00 H new ATOM 167 N LYS A 12 0.323 4.946 4.926 1.00 0.00 N ATOM 168 CA LYS A 12 -0.811 5.722 5.492 1.00 0.00 C ATOM 169 C LYS A 12 -1.943 5.712 4.472 1.00 0.00 C ATOM 170 O LYS A 12 -1.713 5.635 3.284 1.00 0.00 O ATOM 171 CB LYS A 12 -0.379 7.166 5.759 1.00 0.00 C ATOM 172 CG LYS A 12 1.076 7.186 6.231 1.00 0.00 C ATOM 173 CD LYS A 12 1.171 6.537 7.614 1.00 0.00 C ATOM 174 CE LYS A 12 1.335 7.623 8.678 1.00 0.00 C ATOM 175 NZ LYS A 12 2.659 7.471 9.342 1.00 0.00 N ATOM 0 H LYS A 12 0.970 5.482 4.347 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.136 5.277 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.486 7.762 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.023 7.616 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.707 6.651 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.442 8.212 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.275 5.950 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.016 5.850 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.256 8.610 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.536 7.548 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.771 8.209 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.717 6.535 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.415 7.563 8.634 1.00 0.00 H new ATOM 189 N VAL A 13 -3.163 5.787 4.912 1.00 0.00 N ATOM 190 CA VAL A 13 -4.284 5.777 3.939 1.00 0.00 C ATOM 191 C VAL A 13 -4.592 7.213 3.521 1.00 0.00 C ATOM 192 O VAL A 13 -5.153 7.982 4.274 1.00 0.00 O ATOM 193 CB VAL A 13 -5.522 5.158 4.584 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.602 4.953 3.522 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.153 3.809 5.203 1.00 0.00 C ATOM 0 H VAL A 13 -3.432 5.854 5.894 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.004 5.188 3.065 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.898 5.824 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.486 4.511 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.865 5.914 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.226 4.287 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.036 3.366 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.776 3.143 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.383 3.955 5.961 1.00 0.00 H new ATOM 205 N THR A 14 -4.221 7.585 2.328 1.00 0.00 N ATOM 206 CA THR A 14 -4.485 8.977 1.870 1.00 0.00 C ATOM 207 C THR A 14 -5.360 8.949 0.613 1.00 0.00 C ATOM 208 O THR A 14 -5.658 9.973 0.034 1.00 0.00 O ATOM 209 CB THR A 14 -3.156 9.676 1.557 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.871 9.550 0.171 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.027 9.040 2.369 1.00 0.00 C ATOM 0 H THR A 14 -3.747 6.987 1.651 1.00 0.00 H new ATOM 0 HA THR A 14 -5.004 9.523 2.658 1.00 0.00 H new ATOM 0 HB THR A 14 -3.236 10.730 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.114 10.127 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.087 9.542 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.243 9.140 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.945 7.984 2.113 1.00 0.00 H new ATOM 219 N ARG A 15 -5.777 7.784 0.187 1.00 0.00 N ATOM 220 CA ARG A 15 -6.636 7.698 -1.034 1.00 0.00 C ATOM 221 C ARG A 15 -7.124 6.257 -1.226 1.00 0.00 C ATOM 222 O ARG A 15 -6.488 5.314 -0.801 1.00 0.00 O ATOM 223 CB ARG A 15 -5.822 8.132 -2.263 1.00 0.00 C ATOM 224 CG ARG A 15 -6.013 9.632 -2.500 1.00 0.00 C ATOM 225 CD ARG A 15 -4.667 10.347 -2.359 1.00 0.00 C ATOM 226 NE ARG A 15 -3.852 10.118 -3.586 1.00 0.00 N ATOM 227 CZ ARG A 15 -2.805 10.863 -3.824 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.958 12.092 -4.235 1.00 0.00 N ATOM 229 NH2 ARG A 15 -1.606 10.377 -3.657 1.00 0.00 N ATOM 0 H ARG A 15 -5.561 6.891 0.630 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.497 8.355 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.766 7.909 -2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.142 7.571 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.426 9.804 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.728 10.036 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.824 11.415 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.136 9.976 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.112 9.380 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.895 12.471 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.141 12.673 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.485 9.415 -3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.789 10.959 -3.843 1.00 0.00 H new ATOM 243 N ILE A 16 -8.250 6.084 -1.869 1.00 0.00 N ATOM 244 CA ILE A 16 -8.787 4.708 -2.105 1.00 0.00 C ATOM 245 C ILE A 16 -9.390 4.652 -3.511 1.00 0.00 C ATOM 246 O ILE A 16 -9.710 5.670 -4.091 1.00 0.00 O ATOM 247 CB ILE A 16 -9.873 4.388 -1.074 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.320 4.595 0.336 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.316 2.932 -1.233 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.317 4.045 1.356 1.00 0.00 C ATOM 0 H ILE A 16 -8.824 6.840 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.982 3.979 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.725 5.050 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.360 4.090 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.144 5.655 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.089 2.705 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.713 2.780 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.462 2.273 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.926 4.191 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.267 4.570 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.471 2.981 1.177 1.00 0.00 H new ATOM 262 N VAL A 17 -9.548 3.482 -4.074 1.00 0.00 N ATOM 263 CA VAL A 17 -10.129 3.406 -5.447 1.00 0.00 C ATOM 264 C VAL A 17 -11.108 2.220 -5.548 1.00 0.00 C ATOM 265 O VAL A 17 -11.009 1.251 -4.824 1.00 0.00 O ATOM 266 CB VAL A 17 -8.996 3.261 -6.489 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.667 3.713 -5.895 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.848 1.810 -6.925 1.00 0.00 C ATOM 0 H VAL A 17 -9.304 2.587 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.679 4.325 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.257 3.882 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.880 3.605 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.740 4.758 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.430 3.100 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.045 1.730 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.611 1.192 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.782 1.467 -7.370 1.00 0.00 H new ATOM 278 N ASP A 18 -12.039 2.285 -6.458 1.00 0.00 N ATOM 279 CA ASP A 18 -13.008 1.161 -6.611 1.00 0.00 C ATOM 280 C ASP A 18 -12.253 -0.137 -6.925 1.00 0.00 C ATOM 281 O ASP A 18 -12.541 -1.181 -6.374 1.00 0.00 O ATOM 282 CB ASP A 18 -13.973 1.477 -7.757 1.00 0.00 C ATOM 283 CG ASP A 18 -15.414 1.403 -7.248 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.600 1.433 -6.043 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.309 1.318 -8.075 1.00 0.00 O ATOM 0 H ASP A 18 -12.172 3.065 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.566 1.037 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.768 2.471 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.828 0.770 -8.574 1.00 0.00 H new ATOM 290 N PHE A 19 -11.296 -0.084 -7.813 1.00 0.00 N ATOM 291 CA PHE A 19 -10.532 -1.317 -8.173 1.00 0.00 C ATOM 292 C PHE A 19 -9.305 -1.467 -7.269 1.00 0.00 C ATOM 293 O PHE A 19 -8.331 -2.091 -7.643 1.00 0.00 O ATOM 294 CB PHE A 19 -10.056 -1.209 -9.624 1.00 0.00 C ATOM 295 CG PHE A 19 -9.471 0.163 -9.841 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.218 0.480 -9.303 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.189 1.126 -10.557 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.685 1.763 -9.480 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.653 2.407 -10.738 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.401 2.723 -10.197 1.00 0.00 C ATOM 0 H PHE A 19 -11.009 0.761 -8.306 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.183 -2.182 -8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.310 -1.975 -9.835 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.888 -1.377 -10.308 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.663 -0.264 -8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.157 0.882 -10.970 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.720 2.010 -9.062 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.205 3.150 -11.294 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.988 3.712 -10.335 1.00 0.00 H new ATOM 310 N GLY A 20 -9.322 -0.901 -6.092 1.00 0.00 N ATOM 311 CA GLY A 20 -8.129 -1.034 -5.210 1.00 0.00 C ATOM 312 C GLY A 20 -8.095 0.080 -4.159 1.00 0.00 C ATOM 313 O GLY A 20 -9.109 0.609 -3.756 1.00 0.00 O ATOM 0 H GLY A 20 -10.097 -0.361 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.145 -2.005 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.221 -0.998 -5.812 1.00 0.00 H new ATOM 317 N ALA A 21 -6.923 0.435 -3.710 1.00 0.00 N ATOM 318 CA ALA A 21 -6.797 1.508 -2.687 1.00 0.00 C ATOM 319 C ALA A 21 -5.447 2.198 -2.858 1.00 0.00 C ATOM 320 O ALA A 21 -4.475 1.585 -3.239 1.00 0.00 O ATOM 321 CB ALA A 21 -6.868 0.896 -1.288 1.00 0.00 C ATOM 0 H ALA A 21 -6.040 0.023 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.607 2.227 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.775 1.684 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.823 0.387 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.056 0.180 -1.162 1.00 0.00 H new ATOM 327 N PHE A 22 -5.380 3.468 -2.586 1.00 0.00 N ATOM 328 CA PHE A 22 -4.095 4.204 -2.725 1.00 0.00 C ATOM 329 C PHE A 22 -3.538 4.503 -1.329 1.00 0.00 C ATOM 330 O PHE A 22 -4.262 4.504 -0.354 1.00 0.00 O ATOM 331 CB PHE A 22 -4.350 5.508 -3.479 1.00 0.00 C ATOM 332 CG PHE A 22 -4.531 5.217 -4.954 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.559 3.892 -5.424 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.658 6.277 -5.855 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.710 3.635 -6.788 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.813 6.019 -7.223 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.836 4.696 -7.689 1.00 0.00 C ATOM 0 H PHE A 22 -6.168 4.034 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.372 3.604 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.239 6.000 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.515 6.193 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.463 3.071 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.637 7.296 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.729 2.617 -7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.915 6.839 -7.919 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.951 4.497 -8.744 1.00 0.00 H new ATOM 347 N VAL A 23 -2.258 4.734 -1.215 1.00 0.00 N ATOM 348 CA VAL A 23 -1.674 5.003 0.130 1.00 0.00 C ATOM 349 C VAL A 23 -0.448 5.919 -0.012 1.00 0.00 C ATOM 350 O VAL A 23 0.186 5.960 -1.041 1.00 0.00 O ATOM 351 CB VAL A 23 -1.279 3.653 0.747 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.393 3.847 1.978 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.548 2.902 1.160 1.00 0.00 C ATOM 0 H VAL A 23 -1.595 4.748 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.395 5.507 0.774 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.720 3.084 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.129 2.874 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.515 4.378 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.932 4.427 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.276 1.942 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.099 3.493 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.174 2.736 0.283 1.00 0.00 H new ATOM 363 N ALA A 24 -0.113 6.659 1.013 1.00 0.00 N ATOM 364 CA ALA A 24 1.072 7.559 0.930 1.00 0.00 C ATOM 365 C ALA A 24 2.069 7.191 2.041 1.00 0.00 C ATOM 366 O ALA A 24 1.685 6.928 3.164 1.00 0.00 O ATOM 367 CB ALA A 24 0.619 9.011 1.098 1.00 0.00 C ATOM 0 H ALA A 24 -0.610 6.678 1.904 1.00 0.00 H new ATOM 0 HA ALA A 24 1.556 7.444 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.484 9.671 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.088 9.265 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.137 9.132 2.068 1.00 0.00 H new ATOM 373 N ILE A 25 3.343 7.170 1.738 1.00 0.00 N ATOM 374 CA ILE A 25 4.355 6.819 2.779 1.00 0.00 C ATOM 375 C ILE A 25 5.235 8.040 3.059 1.00 0.00 C ATOM 376 O ILE A 25 4.983 9.124 2.573 1.00 0.00 O ATOM 377 CB ILE A 25 5.244 5.669 2.284 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.554 5.866 0.798 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.534 4.329 2.482 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.389 4.688 0.290 1.00 0.00 C ATOM 0 H ILE A 25 3.725 7.381 0.816 1.00 0.00 H new ATOM 0 HA ILE A 25 3.838 6.511 3.688 1.00 0.00 H new ATOM 0 HB ILE A 25 6.172 5.667 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.627 5.941 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.095 6.800 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.175 3.522 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.320 4.184 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.600 4.325 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.610 4.828 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.322 4.634 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.831 3.762 0.425 1.00 0.00 H new ATOM 392 N GLY A 26 6.271 7.867 3.834 1.00 0.00 N ATOM 393 CA GLY A 26 7.175 9.013 4.141 1.00 0.00 C ATOM 394 C GLY A 26 8.306 9.052 3.113 1.00 0.00 C ATOM 395 O GLY A 26 8.389 8.215 2.236 1.00 0.00 O ATOM 0 H GLY A 26 6.531 6.981 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.616 9.948 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.584 8.909 5.146 1.00 0.00 H new ATOM 399 N GLY A 27 9.180 10.017 3.210 1.00 0.00 N ATOM 400 CA GLY A 27 10.303 10.105 2.234 1.00 0.00 C ATOM 401 C GLY A 27 9.856 10.905 1.009 1.00 0.00 C ATOM 402 O GLY A 27 10.664 11.366 0.228 1.00 0.00 O ATOM 0 H GLY A 27 9.165 10.747 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.165 10.583 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.616 9.105 1.934 1.00 0.00 H new ATOM 406 N GLY A 28 8.574 11.075 0.833 1.00 0.00 N ATOM 407 CA GLY A 28 8.079 11.846 -0.343 1.00 0.00 C ATOM 408 C GLY A 28 7.518 10.882 -1.390 1.00 0.00 C ATOM 409 O GLY A 28 7.260 11.257 -2.516 1.00 0.00 O ATOM 0 H GLY A 28 7.848 10.714 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.307 12.549 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.890 12.434 -0.773 1.00 0.00 H new ATOM 413 N LYS A 29 7.323 9.644 -1.028 1.00 0.00 N ATOM 414 CA LYS A 29 6.775 8.662 -2.005 1.00 0.00 C ATOM 415 C LYS A 29 5.407 8.179 -1.515 1.00 0.00 C ATOM 416 O LYS A 29 5.079 8.293 -0.350 1.00 0.00 O ATOM 417 CB LYS A 29 7.729 7.470 -2.124 1.00 0.00 C ATOM 418 CG LYS A 29 9.112 7.964 -2.554 1.00 0.00 C ATOM 419 CD LYS A 29 9.708 6.995 -3.581 1.00 0.00 C ATOM 420 CE LYS A 29 10.423 7.785 -4.678 1.00 0.00 C ATOM 421 NZ LYS A 29 9.424 8.273 -5.671 1.00 0.00 N ATOM 0 H LYS A 29 7.519 9.270 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 29 6.669 9.135 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.798 6.949 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.345 6.754 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.035 8.963 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.768 8.040 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.408 6.317 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.920 6.381 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.960 8.628 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.164 7.155 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.910 8.810 -6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.930 7.461 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.734 8.888 -5.195 1.00 0.00 H new ATOM 435 N GLU A 30 4.602 7.644 -2.392 1.00 0.00 N ATOM 436 CA GLU A 30 3.261 7.166 -1.961 1.00 0.00 C ATOM 437 C GLU A 30 3.131 5.666 -2.220 1.00 0.00 C ATOM 438 O GLU A 30 3.576 5.151 -3.227 1.00 0.00 O ATOM 439 CB GLU A 30 2.164 7.912 -2.730 1.00 0.00 C ATOM 440 CG GLU A 30 2.652 9.314 -3.103 1.00 0.00 C ATOM 441 CD GLU A 30 2.685 10.193 -1.852 1.00 0.00 C ATOM 442 OE1 GLU A 30 3.554 9.977 -1.022 1.00 0.00 O ATOM 443 OE2 GLU A 30 1.844 11.069 -1.745 1.00 0.00 O ATOM 0 H GLU A 30 4.814 7.518 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 30 3.149 7.359 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.898 7.358 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.263 7.981 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.646 9.258 -3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.992 9.753 -3.851 1.00 0.00 H new ATOM 450 N GLY A 31 2.503 4.969 -1.316 1.00 0.00 N ATOM 451 CA GLY A 31 2.305 3.504 -1.486 1.00 0.00 C ATOM 452 C GLY A 31 0.964 3.267 -2.178 1.00 0.00 C ATOM 453 O GLY A 31 0.266 4.198 -2.529 1.00 0.00 O ATOM 0 H GLY A 31 2.114 5.357 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.116 3.080 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.323 3.005 -0.517 1.00 0.00 H new ATOM 457 N LEU A 32 0.585 2.038 -2.377 1.00 0.00 N ATOM 458 CA LEU A 32 -0.719 1.782 -3.042 1.00 0.00 C ATOM 459 C LEU A 32 -1.327 0.471 -2.557 1.00 0.00 C ATOM 460 O LEU A 32 -0.766 -0.591 -2.739 1.00 0.00 O ATOM 461 CB LEU A 32 -0.536 1.692 -4.550 1.00 0.00 C ATOM 462 CG LEU A 32 -1.893 1.947 -5.198 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.861 3.281 -5.921 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.222 0.836 -6.189 1.00 0.00 C ATOM 0 H LEU A 32 1.115 1.208 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.383 2.610 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.195 2.426 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.156 0.710 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.660 1.966 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.830 3.466 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.642 4.076 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.088 3.260 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.193 1.030 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.457 0.803 -6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.251 -0.120 -5.667 1.00 0.00 H new ATOM 476 N VAL A 33 -2.492 0.532 -1.982 1.00 0.00 N ATOM 477 CA VAL A 33 -3.160 -0.711 -1.534 1.00 0.00 C ATOM 478 C VAL A 33 -4.074 -1.186 -2.665 1.00 0.00 C ATOM 479 O VAL A 33 -5.277 -1.282 -2.511 1.00 0.00 O ATOM 480 CB VAL A 33 -3.996 -0.426 -0.286 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.744 -1.693 0.127 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.080 0.021 0.853 1.00 0.00 C ATOM 0 H VAL A 33 -3.010 1.393 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.420 -1.475 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.714 0.365 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.340 -1.490 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.399 -2.009 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.027 -2.485 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.677 0.224 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.360 -0.768 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.549 0.926 0.559 1.00 0.00 H new ATOM 492 N HIS A 34 -3.521 -1.465 -3.814 1.00 0.00 N ATOM 493 CA HIS A 34 -4.378 -1.916 -4.941 1.00 0.00 C ATOM 494 C HIS A 34 -5.303 -3.030 -4.439 1.00 0.00 C ATOM 495 O HIS A 34 -5.019 -3.694 -3.462 1.00 0.00 O ATOM 496 CB HIS A 34 -3.509 -2.443 -6.084 1.00 0.00 C ATOM 497 CG HIS A 34 -4.267 -2.328 -7.381 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.347 -3.379 -8.283 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.986 -1.299 -7.942 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.088 -2.963 -9.326 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.502 -1.702 -9.170 1.00 0.00 N ATOM 0 H HIS A 34 -2.524 -1.401 -4.018 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.969 -1.078 -5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.580 -1.876 -6.141 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.237 -3.482 -5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.129 -0.325 -7.497 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.320 -3.574 -10.186 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.073 -1.153 -9.813 1.00 0.00 H new ATOM 509 N ILE A 35 -6.410 -3.230 -5.094 1.00 0.00 N ATOM 510 CA ILE A 35 -7.370 -4.284 -4.663 1.00 0.00 C ATOM 511 C ILE A 35 -6.641 -5.609 -4.414 1.00 0.00 C ATOM 512 O ILE A 35 -6.833 -6.247 -3.398 1.00 0.00 O ATOM 513 CB ILE A 35 -8.416 -4.469 -5.763 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.287 -5.689 -5.450 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.709 -4.678 -7.103 1.00 0.00 C ATOM 516 CD1 ILE A 35 -9.880 -5.548 -4.046 1.00 0.00 C ATOM 0 H ILE A 35 -6.695 -2.703 -5.919 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.849 -3.979 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.047 -3.582 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.086 -5.777 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.692 -6.600 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.452 -4.810 -7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.092 -3.808 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.078 -5.565 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.500 -6.417 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.074 -5.481 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.489 -4.646 -3.997 1.00 0.00 H new ATOM 528 N SER A 36 -5.819 -6.035 -5.333 1.00 0.00 N ATOM 529 CA SER A 36 -5.093 -7.326 -5.148 1.00 0.00 C ATOM 530 C SER A 36 -3.861 -7.132 -4.254 1.00 0.00 C ATOM 531 O SER A 36 -2.812 -7.688 -4.512 1.00 0.00 O ATOM 532 CB SER A 36 -4.648 -7.853 -6.512 1.00 0.00 C ATOM 533 OG SER A 36 -5.511 -8.908 -6.914 1.00 0.00 O ATOM 0 H SER A 36 -5.618 -5.546 -6.205 1.00 0.00 H new ATOM 0 HA SER A 36 -5.764 -8.040 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.669 -7.050 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.619 -8.210 -6.459 1.00 0.00 H new ATOM 0 HG SER A 36 -5.228 -9.246 -7.789 1.00 0.00 H new ATOM 539 N GLN A 37 -3.966 -6.357 -3.206 1.00 0.00 N ATOM 540 CA GLN A 37 -2.784 -6.153 -2.318 1.00 0.00 C ATOM 541 C GLN A 37 -3.246 -5.870 -0.886 1.00 0.00 C ATOM 542 O GLN A 37 -2.836 -4.900 -0.278 1.00 0.00 O ATOM 543 CB GLN A 37 -1.965 -4.965 -2.826 1.00 0.00 C ATOM 544 CG GLN A 37 -1.695 -5.134 -4.321 1.00 0.00 C ATOM 545 CD GLN A 37 -0.592 -4.167 -4.757 1.00 0.00 C ATOM 546 OE1 GLN A 37 0.067 -4.388 -5.752 1.00 0.00 O ATOM 547 NE2 GLN A 37 -0.362 -3.097 -4.046 1.00 0.00 N ATOM 0 H GLN A 37 -4.812 -5.860 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.173 -7.056 -2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.504 -4.035 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.023 -4.899 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.397 -6.161 -4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.605 -4.943 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.916 -2.911 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.372 -2.446 -4.326 1.00 0.00 H new ATOM 556 N ILE A 38 -4.093 -6.695 -0.337 1.00 0.00 N ATOM 557 CA ILE A 38 -4.561 -6.441 1.056 1.00 0.00 C ATOM 558 C ILE A 38 -4.256 -7.651 1.942 1.00 0.00 C ATOM 559 O ILE A 38 -3.160 -7.813 2.439 1.00 0.00 O ATOM 560 CB ILE A 38 -6.067 -6.164 1.065 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.343 -4.774 0.483 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.574 -6.212 2.507 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.840 -4.709 -0.960 1.00 0.00 C ATOM 0 H ILE A 38 -4.479 -7.526 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.035 -5.569 1.446 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.577 -6.916 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.412 -4.561 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.848 -4.012 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.646 -6.016 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.380 -7.198 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.058 -5.456 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.038 -3.719 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.767 -4.902 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.355 -5.460 -1.559 1.00 0.00 H new ATOM 575 N ALA A 39 -5.226 -8.494 2.148 1.00 0.00 N ATOM 576 CA ALA A 39 -5.016 -9.690 3.006 1.00 0.00 C ATOM 577 C ALA A 39 -4.859 -10.918 2.116 1.00 0.00 C ATOM 578 O ALA A 39 -5.631 -11.852 2.200 1.00 0.00 O ATOM 579 CB ALA A 39 -6.235 -9.877 3.906 1.00 0.00 C ATOM 0 H ALA A 39 -6.163 -8.405 1.755 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.122 -9.558 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.089 -10.752 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.364 -8.994 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.123 -10.018 3.291 1.00 0.00 H new ATOM 585 N ASP A 40 -3.879 -10.913 1.253 1.00 0.00 N ATOM 586 CA ASP A 40 -3.674 -12.068 0.331 1.00 0.00 C ATOM 587 C ASP A 40 -4.592 -11.903 -0.882 1.00 0.00 C ATOM 588 O ASP A 40 -4.186 -12.121 -2.005 1.00 0.00 O ATOM 589 CB ASP A 40 -3.996 -13.383 1.049 1.00 0.00 C ATOM 590 CG ASP A 40 -3.295 -14.541 0.337 1.00 0.00 C ATOM 591 OD1 ASP A 40 -3.324 -14.563 -0.883 1.00 0.00 O ATOM 592 OD2 ASP A 40 -2.743 -15.385 1.022 1.00 0.00 O ATOM 0 H ASP A 40 -3.207 -10.153 1.146 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.633 -12.094 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.670 -13.331 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.073 -13.549 1.060 1.00 0.00 H new ATOM 597 N LYS A 41 -5.824 -11.514 -0.666 1.00 0.00 N ATOM 598 CA LYS A 41 -6.761 -11.333 -1.811 1.00 0.00 C ATOM 599 C LYS A 41 -8.210 -11.308 -1.306 1.00 0.00 C ATOM 600 O LYS A 41 -9.101 -10.837 -1.983 1.00 0.00 O ATOM 601 CB LYS A 41 -6.589 -12.498 -2.779 1.00 0.00 C ATOM 602 CG LYS A 41 -5.968 -11.995 -4.085 1.00 0.00 C ATOM 603 CD LYS A 41 -6.181 -13.036 -5.185 1.00 0.00 C ATOM 604 CE LYS A 41 -4.863 -13.764 -5.456 1.00 0.00 C ATOM 605 NZ LYS A 41 -4.420 -13.485 -6.851 1.00 0.00 N ATOM 0 H LYS A 41 -6.219 -11.315 0.253 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.541 -10.390 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.953 -13.263 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.554 -12.963 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.421 -11.047 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.903 -11.810 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.948 -13.749 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.536 -12.552 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.102 -13.436 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.991 -14.837 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.524 -13.980 -7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.144 -13.819 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.282 -12.461 -6.973 1.00 0.00 H new ATOM 619 N ARG A 42 -8.454 -11.825 -0.132 1.00 0.00 N ATOM 620 CA ARG A 42 -9.848 -11.845 0.402 1.00 0.00 C ATOM 621 C ARG A 42 -10.281 -10.442 0.844 1.00 0.00 C ATOM 622 O ARG A 42 -10.266 -10.120 2.013 1.00 0.00 O ATOM 623 CB ARG A 42 -9.912 -12.793 1.603 1.00 0.00 C ATOM 624 CG ARG A 42 -9.697 -14.232 1.131 1.00 0.00 C ATOM 625 CD ARG A 42 -10.401 -15.197 2.088 1.00 0.00 C ATOM 626 NE ARG A 42 -11.030 -16.303 1.310 1.00 0.00 N ATOM 627 CZ ARG A 42 -11.719 -16.035 0.236 1.00 0.00 C ATOM 628 NH1 ARG A 42 -12.950 -15.615 0.337 1.00 0.00 N ATOM 629 NH2 ARG A 42 -11.177 -16.186 -0.941 1.00 0.00 N ATOM 0 H ARG A 42 -7.749 -12.235 0.481 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.520 -12.186 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.151 -12.522 2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.878 -12.703 2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.087 -14.356 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.631 -14.457 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.685 -15.603 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.160 -14.666 2.663 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.921 -17.269 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.374 -15.496 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.488 -15.406 -0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.214 -16.514 -1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.716 -15.976 -1.781 1.00 0.00 H new ATOM 643 N VAL A 43 -10.689 -9.612 -0.080 1.00 0.00 N ATOM 644 CA VAL A 43 -11.146 -8.245 0.294 1.00 0.00 C ATOM 645 C VAL A 43 -12.365 -7.874 -0.552 1.00 0.00 C ATOM 646 O VAL A 43 -12.255 -7.196 -1.555 1.00 0.00 O ATOM 647 CB VAL A 43 -10.029 -7.236 0.055 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.588 -5.818 0.168 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.943 -7.441 1.107 1.00 0.00 C ATOM 0 H VAL A 43 -10.725 -9.824 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.413 -8.230 1.351 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.610 -7.378 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.789 -5.097 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.371 -5.675 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.004 -5.669 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.139 -6.723 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.366 -7.293 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.547 -8.454 1.029 1.00 0.00 H new ATOM 659 N GLU A 44 -13.526 -8.319 -0.157 1.00 0.00 N ATOM 660 CA GLU A 44 -14.759 -8.006 -0.935 1.00 0.00 C ATOM 661 C GLU A 44 -14.733 -6.545 -1.391 1.00 0.00 C ATOM 662 O GLU A 44 -15.289 -6.196 -2.414 1.00 0.00 O ATOM 663 CB GLU A 44 -15.987 -8.247 -0.057 1.00 0.00 C ATOM 664 CG GLU A 44 -17.256 -8.029 -0.881 1.00 0.00 C ATOM 665 CD GLU A 44 -18.448 -8.654 -0.154 1.00 0.00 C ATOM 666 OE1 GLU A 44 -19.010 -7.990 0.700 1.00 0.00 O ATOM 667 OE2 GLU A 44 -18.776 -9.788 -0.463 1.00 0.00 O ATOM 0 H GLU A 44 -13.675 -8.889 0.676 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.804 -8.651 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.969 -9.262 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.975 -7.570 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.426 -6.963 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.143 -8.476 -1.868 1.00 0.00 H new ATOM 674 N LYS A 45 -14.096 -5.685 -0.643 1.00 0.00 N ATOM 675 CA LYS A 45 -14.044 -4.249 -1.045 1.00 0.00 C ATOM 676 C LYS A 45 -12.750 -3.613 -0.530 1.00 0.00 C ATOM 677 O LYS A 45 -12.304 -3.889 0.565 1.00 0.00 O ATOM 678 CB LYS A 45 -15.246 -3.508 -0.453 1.00 0.00 C ATOM 679 CG LYS A 45 -16.162 -3.036 -1.584 1.00 0.00 C ATOM 680 CD LYS A 45 -15.537 -1.821 -2.273 1.00 0.00 C ATOM 681 CE LYS A 45 -15.684 -1.960 -3.790 1.00 0.00 C ATOM 682 NZ LYS A 45 -17.130 -1.954 -4.151 1.00 0.00 N ATOM 0 H LYS A 45 -13.611 -5.913 0.225 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.072 -4.180 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.794 -4.164 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.907 -2.655 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.311 -3.840 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.144 -2.777 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.023 -0.907 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.483 -1.740 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.169 -1.141 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.217 -2.885 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.230 -1.861 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.569 -2.844 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.601 -1.153 -3.683 1.00 0.00 H new ATOM 696 N VAL A 46 -12.152 -2.750 -1.306 1.00 0.00 N ATOM 697 CA VAL A 46 -10.890 -2.088 -0.846 1.00 0.00 C ATOM 698 C VAL A 46 -11.242 -1.048 0.210 1.00 0.00 C ATOM 699 O VAL A 46 -10.441 -0.717 1.058 1.00 0.00 O ATOM 700 CB VAL A 46 -10.151 -1.394 -2.004 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.738 -1.970 -2.121 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.890 -1.604 -3.328 1.00 0.00 C ATOM 0 H VAL A 46 -12.477 -2.474 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.231 -2.855 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.107 -0.325 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.212 -1.480 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.197 -1.800 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.797 -3.041 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.348 -1.104 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.955 -2.671 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.894 -1.187 -3.254 1.00 0.00 H new ATOM 712 N THR A 47 -12.438 -0.538 0.170 1.00 0.00 N ATOM 713 CA THR A 47 -12.844 0.472 1.184 1.00 0.00 C ATOM 714 C THR A 47 -13.188 -0.243 2.494 1.00 0.00 C ATOM 715 O THR A 47 -13.596 0.371 3.460 1.00 0.00 O ATOM 716 CB THR A 47 -14.068 1.242 0.682 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.986 0.333 0.090 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.628 2.277 -0.355 1.00 0.00 C ATOM 0 H THR A 47 -13.152 -0.776 -0.519 1.00 0.00 H new ATOM 0 HA THR A 47 -12.026 1.172 1.352 1.00 0.00 H new ATOM 0 HB THR A 47 -14.549 1.750 1.518 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.229 -0.358 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.499 2.826 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.923 2.972 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.148 1.771 -1.193 1.00 0.00 H new ATOM 726 N ASP A 48 -13.018 -1.541 2.538 1.00 0.00 N ATOM 727 CA ASP A 48 -13.327 -2.292 3.787 1.00 0.00 C ATOM 728 C ASP A 48 -12.017 -2.603 4.510 1.00 0.00 C ATOM 729 O ASP A 48 -11.968 -2.707 5.719 1.00 0.00 O ATOM 730 CB ASP A 48 -14.043 -3.602 3.440 1.00 0.00 C ATOM 731 CG ASP A 48 -15.266 -3.303 2.570 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.416 -2.161 2.165 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.031 -4.220 2.324 1.00 0.00 O ATOM 0 H ASP A 48 -12.679 -2.110 1.762 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.974 -1.692 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.363 -4.271 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.349 -4.114 4.352 1.00 0.00 H new ATOM 738 N TYR A 49 -10.954 -2.746 3.769 1.00 0.00 N ATOM 739 CA TYR A 49 -9.636 -3.045 4.393 1.00 0.00 C ATOM 740 C TYR A 49 -8.838 -1.747 4.525 1.00 0.00 C ATOM 741 O TYR A 49 -7.997 -1.604 5.390 1.00 0.00 O ATOM 742 CB TYR A 49 -8.869 -4.016 3.501 1.00 0.00 C ATOM 743 CG TYR A 49 -9.487 -5.387 3.605 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.773 -5.612 3.104 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.779 -6.434 4.208 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.353 -6.879 3.207 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.359 -7.701 4.313 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.647 -7.926 3.814 1.00 0.00 C ATOM 749 OH TYR A 49 -11.221 -9.177 3.918 1.00 0.00 O ATOM 0 H TYR A 49 -10.942 -2.668 2.752 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.785 -3.488 5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.892 -3.672 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.822 -4.053 3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.319 -4.805 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.784 -6.262 4.592 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.346 -7.051 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.813 -8.507 4.780 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.139 -9.647 3.062 1.00 0.00 H new ATOM 759 N LEU A 50 -9.098 -0.805 3.663 1.00 0.00 N ATOM 760 CA LEU A 50 -8.363 0.490 3.715 1.00 0.00 C ATOM 761 C LEU A 50 -9.276 1.567 4.297 1.00 0.00 C ATOM 762 O LEU A 50 -10.459 1.612 4.020 1.00 0.00 O ATOM 763 CB LEU A 50 -7.937 0.883 2.291 1.00 0.00 C ATOM 764 CG LEU A 50 -6.412 0.755 2.101 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.747 2.090 2.429 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.832 -0.335 3.011 1.00 0.00 C ATOM 0 H LEU A 50 -9.793 -0.877 2.920 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.479 0.390 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.449 0.247 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.245 1.909 2.088 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.217 0.481 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.669 2.002 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.133 2.862 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.964 2.360 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.755 -0.403 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.034 -0.085 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.294 -1.293 2.772 1.00 0.00 H new ATOM 778 N GLN A 51 -8.733 2.432 5.107 1.00 0.00 N ATOM 779 CA GLN A 51 -9.568 3.506 5.716 1.00 0.00 C ATOM 780 C GLN A 51 -8.815 4.837 5.660 1.00 0.00 C ATOM 781 O GLN A 51 -7.656 4.920 6.012 1.00 0.00 O ATOM 782 CB GLN A 51 -9.870 3.153 7.173 1.00 0.00 C ATOM 783 CG GLN A 51 -10.876 4.155 7.744 1.00 0.00 C ATOM 784 CD GLN A 51 -11.387 3.656 9.096 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.791 2.517 9.223 1.00 0.00 O ATOM 786 NE2 GLN A 51 -11.387 4.466 10.118 1.00 0.00 N ATOM 0 H GLN A 51 -7.749 2.442 5.374 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.502 3.595 5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.272 2.142 7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.952 3.169 7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -10.406 5.132 7.860 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.710 4.282 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.048 5.422 10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.726 4.144 11.024 1.00 0.00 H new ATOM 795 N MET A 52 -9.468 5.879 5.221 1.00 0.00 N ATOM 796 CA MET A 52 -8.792 7.206 5.142 1.00 0.00 C ATOM 797 C MET A 52 -8.441 7.688 6.551 1.00 0.00 C ATOM 798 O MET A 52 -9.308 8.002 7.343 1.00 0.00 O ATOM 799 CB MET A 52 -9.732 8.215 4.480 1.00 0.00 C ATOM 800 CG MET A 52 -9.431 8.292 2.981 1.00 0.00 C ATOM 801 SD MET A 52 -10.125 9.821 2.306 1.00 0.00 S ATOM 802 CE MET A 52 -9.033 9.954 0.870 1.00 0.00 C ATOM 0 H MET A 52 -10.441 5.869 4.914 1.00 0.00 H new ATOM 0 HA MET A 52 -7.879 7.114 4.553 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.769 7.919 4.638 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.608 9.197 4.937 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.354 8.263 2.813 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.857 7.429 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.101 10.959 0.453 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.005 9.756 1.175 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.334 9.227 0.116 1.00 0.00 H new ATOM 812 N GLY A 53 -7.178 7.752 6.870 1.00 0.00 N ATOM 813 CA GLY A 53 -6.774 8.218 8.227 1.00 0.00 C ATOM 814 C GLY A 53 -6.126 7.064 8.994 1.00 0.00 C ATOM 815 O GLY A 53 -5.363 7.271 9.917 1.00 0.00 O ATOM 0 H GLY A 53 -6.408 7.502 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.075 9.050 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.644 8.586 8.770 1.00 0.00 H new ATOM 819 N GLN A 54 -6.422 5.850 8.620 1.00 0.00 N ATOM 820 CA GLN A 54 -5.821 4.687 9.330 1.00 0.00 C ATOM 821 C GLN A 54 -4.392 4.465 8.832 1.00 0.00 C ATOM 822 O GLN A 54 -3.977 5.021 7.834 1.00 0.00 O ATOM 823 CB GLN A 54 -6.655 3.434 9.056 1.00 0.00 C ATOM 824 CG GLN A 54 -7.970 3.514 9.834 1.00 0.00 C ATOM 825 CD GLN A 54 -7.676 3.799 11.308 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.230 2.929 12.031 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.907 4.990 11.788 1.00 0.00 N ATOM 0 H GLN A 54 -7.053 5.613 7.854 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.805 4.887 10.401 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.857 3.345 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.100 2.543 9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.602 4.300 9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.520 2.578 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.281 5.720 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.713 5.191 12.769 1.00 0.00 H new ATOM 836 N GLU A 55 -3.637 3.652 9.519 1.00 0.00 N ATOM 837 CA GLU A 55 -2.236 3.388 9.087 1.00 0.00 C ATOM 838 C GLU A 55 -1.974 1.882 9.125 1.00 0.00 C ATOM 839 O GLU A 55 -2.521 1.171 9.944 1.00 0.00 O ATOM 840 CB GLU A 55 -1.267 4.097 10.036 1.00 0.00 C ATOM 841 CG GLU A 55 -1.839 5.461 10.427 1.00 0.00 C ATOM 842 CD GLU A 55 -2.728 5.307 11.662 1.00 0.00 C ATOM 843 OE1 GLU A 55 -3.913 5.072 11.488 1.00 0.00 O ATOM 844 OE2 GLU A 55 -2.209 5.425 12.760 1.00 0.00 O ATOM 0 H GLU A 55 -3.931 3.159 10.362 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.089 3.761 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.105 3.490 10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.297 4.222 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.029 6.161 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.416 5.876 9.600 1.00 0.00 H new ATOM 851 N VAL A 56 -1.147 1.386 8.245 1.00 0.00 N ATOM 852 CA VAL A 56 -0.865 -0.078 8.244 1.00 0.00 C ATOM 853 C VAL A 56 0.598 -0.324 7.858 1.00 0.00 C ATOM 854 O VAL A 56 1.129 0.345 6.994 1.00 0.00 O ATOM 855 CB VAL A 56 -1.780 -0.769 7.231 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.238 -0.447 7.557 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.451 -0.268 5.822 1.00 0.00 C ATOM 0 H VAL A 56 -0.658 1.926 7.532 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.047 -0.481 9.240 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.626 -1.847 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.890 -0.939 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.474 -0.803 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.392 0.631 7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.102 -0.760 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.605 0.810 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.411 -0.497 5.588 1.00 0.00 H new ATOM 867 N PRO A 57 1.206 -1.286 8.510 1.00 0.00 N ATOM 868 CA PRO A 57 2.610 -1.654 8.254 1.00 0.00 C ATOM 869 C PRO A 57 2.711 -2.509 6.988 1.00 0.00 C ATOM 870 O PRO A 57 2.047 -3.517 6.855 1.00 0.00 O ATOM 871 CB PRO A 57 3.001 -2.464 9.492 1.00 0.00 C ATOM 872 CG PRO A 57 1.680 -2.993 10.101 1.00 0.00 C ATOM 873 CD PRO A 57 0.553 -2.095 9.560 1.00 0.00 C ATOM 0 HA PRO A 57 3.259 -0.793 8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.663 -3.288 9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.538 -1.843 10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.514 -4.033 9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.714 -2.957 11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.267 -2.687 9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.134 -1.465 10.345 1.00 0.00 H new ATOM 881 N VAL A 58 3.539 -2.118 6.059 1.00 0.00 N ATOM 882 CA VAL A 58 3.681 -2.914 4.806 1.00 0.00 C ATOM 883 C VAL A 58 5.167 -3.126 4.500 1.00 0.00 C ATOM 884 O VAL A 58 6.025 -2.814 5.301 1.00 0.00 O ATOM 885 CB VAL A 58 3.001 -2.170 3.645 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.770 -1.428 4.168 1.00 0.00 C ATOM 887 CG2 VAL A 58 3.971 -1.159 3.019 1.00 0.00 C ATOM 0 H VAL A 58 4.123 -1.283 6.112 1.00 0.00 H new ATOM 0 HA VAL A 58 3.203 -3.885 4.933 1.00 0.00 H new ATOM 0 HB VAL A 58 2.705 -2.896 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.287 -0.900 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.071 -2.143 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.074 -0.711 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.476 -0.640 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.279 -0.435 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.848 -1.683 2.640 1.00 0.00 H new ATOM 897 N LYS A 59 5.473 -3.647 3.345 1.00 0.00 N ATOM 898 CA LYS A 59 6.899 -3.875 2.984 1.00 0.00 C ATOM 899 C LYS A 59 7.147 -3.388 1.557 1.00 0.00 C ATOM 900 O LYS A 59 6.458 -3.772 0.632 1.00 0.00 O ATOM 901 CB LYS A 59 7.214 -5.370 3.068 1.00 0.00 C ATOM 902 CG LYS A 59 7.354 -5.785 4.533 1.00 0.00 C ATOM 903 CD LYS A 59 6.923 -7.242 4.692 1.00 0.00 C ATOM 904 CE LYS A 59 7.934 -8.152 3.992 1.00 0.00 C ATOM 905 NZ LYS A 59 7.920 -9.495 4.635 1.00 0.00 N ATOM 0 H LYS A 59 4.796 -3.925 2.635 1.00 0.00 H new ATOM 0 HA LYS A 59 7.539 -3.327 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.421 -5.946 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.136 -5.588 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.387 -5.662 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.741 -5.142 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.857 -7.500 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.930 -7.387 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.688 -8.241 2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.932 -7.719 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.607 -10.115 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.174 -9.402 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.969 -9.908 4.556 1.00 0.00 H new ATOM 919 N VAL A 60 8.129 -2.549 1.368 1.00 0.00 N ATOM 920 CA VAL A 60 8.423 -2.045 -0.002 1.00 0.00 C ATOM 921 C VAL A 60 8.598 -3.236 -0.944 1.00 0.00 C ATOM 922 O VAL A 60 9.686 -3.748 -1.120 1.00 0.00 O ATOM 923 CB VAL A 60 9.709 -1.218 0.027 1.00 0.00 C ATOM 924 CG1 VAL A 60 9.931 -0.563 -1.337 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.588 -0.132 1.096 1.00 0.00 C ATOM 0 H VAL A 60 8.739 -2.192 2.103 1.00 0.00 H new ATOM 0 HA VAL A 60 7.601 -1.420 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 60 10.552 -1.869 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.848 0.026 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.015 -1.335 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.088 0.088 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.503 0.459 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.743 0.516 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.431 -0.596 2.070 1.00 0.00 H new ATOM 935 N LEU A 61 7.534 -3.685 -1.548 1.00 0.00 N ATOM 936 CA LEU A 61 7.631 -4.843 -2.471 1.00 0.00 C ATOM 937 C LEU A 61 8.612 -4.519 -3.600 1.00 0.00 C ATOM 938 O LEU A 61 9.113 -5.406 -4.256 1.00 0.00 O ATOM 939 CB LEU A 61 6.252 -5.138 -3.057 1.00 0.00 C ATOM 940 CG LEU A 61 6.245 -6.539 -3.668 1.00 0.00 C ATOM 941 CD1 LEU A 61 6.665 -7.559 -2.607 1.00 0.00 C ATOM 942 CD2 LEU A 61 4.837 -6.872 -4.166 1.00 0.00 C ATOM 0 H LEU A 61 6.597 -3.296 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 61 7.989 -5.716 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.492 -5.065 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.002 -4.397 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 61 6.943 -6.574 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.660 -8.559 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.668 -7.322 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.966 -7.523 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.832 -7.871 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.138 -6.837 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.537 -6.145 -4.921 1.00 0.00 H new ATOM 954 N GLU A 62 8.873 -3.250 -3.814 1.00 0.00 N ATOM 955 CA GLU A 62 9.819 -2.805 -4.892 1.00 0.00 C ATOM 956 C GLU A 62 9.036 -2.451 -6.157 1.00 0.00 C ATOM 957 O GLU A 62 7.839 -2.237 -6.123 1.00 0.00 O ATOM 958 CB GLU A 62 10.865 -3.901 -5.190 1.00 0.00 C ATOM 959 CG GLU A 62 10.402 -4.803 -6.344 1.00 0.00 C ATOM 960 CD GLU A 62 10.967 -6.212 -6.147 1.00 0.00 C ATOM 961 OE1 GLU A 62 11.839 -6.366 -5.307 1.00 0.00 O ATOM 962 OE2 GLU A 62 10.518 -7.110 -6.838 1.00 0.00 O ATOM 0 H GLU A 62 8.462 -2.487 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 62 10.351 -1.919 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.819 -3.439 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.031 -4.503 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.313 -4.838 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.738 -4.394 -7.297 1.00 0.00 H new ATOM 969 N VAL A 63 9.710 -2.377 -7.268 1.00 0.00 N ATOM 970 CA VAL A 63 9.019 -2.033 -8.544 1.00 0.00 C ATOM 971 C VAL A 63 9.626 -2.848 -9.688 1.00 0.00 C ATOM 972 O VAL A 63 10.802 -3.157 -9.690 1.00 0.00 O ATOM 973 CB VAL A 63 9.195 -0.541 -8.835 1.00 0.00 C ATOM 974 CG1 VAL A 63 8.713 -0.238 -10.256 1.00 0.00 C ATOM 975 CG2 VAL A 63 8.376 0.275 -7.834 1.00 0.00 C ATOM 0 H VAL A 63 10.714 -2.540 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 63 7.957 -2.263 -8.455 1.00 0.00 H new ATOM 0 HB VAL A 63 10.248 -0.275 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.838 0.825 -10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.297 -0.819 -10.970 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.660 -0.504 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.502 1.338 -8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.323 0.010 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.719 0.060 -6.822 1.00 0.00 H new ATOM 985 N ASP A 64 8.834 -3.197 -10.665 1.00 0.00 N ATOM 986 CA ASP A 64 9.364 -3.989 -11.812 1.00 0.00 C ATOM 987 C ASP A 64 8.985 -3.295 -13.123 1.00 0.00 C ATOM 988 O ASP A 64 8.828 -2.092 -13.174 1.00 0.00 O ATOM 989 CB ASP A 64 8.759 -5.394 -11.783 1.00 0.00 C ATOM 990 CG ASP A 64 7.277 -5.320 -12.157 1.00 0.00 C ATOM 991 OD1 ASP A 64 6.591 -4.469 -11.616 1.00 0.00 O ATOM 992 OD2 ASP A 64 6.853 -6.117 -12.979 1.00 0.00 O ATOM 0 H ASP A 64 7.842 -2.968 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 64 10.449 -4.061 -11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.289 -6.044 -12.480 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.873 -5.830 -10.791 1.00 0.00 H new ATOM 997 N ARG A 65 8.832 -4.042 -14.183 1.00 0.00 N ATOM 998 CA ARG A 65 8.456 -3.414 -15.481 1.00 0.00 C ATOM 999 C ARG A 65 7.227 -2.530 -15.268 1.00 0.00 C ATOM 1000 O ARG A 65 7.245 -1.346 -15.538 1.00 0.00 O ATOM 1001 CB ARG A 65 8.135 -4.506 -16.506 1.00 0.00 C ATOM 1002 CG ARG A 65 9.426 -4.963 -17.187 1.00 0.00 C ATOM 1003 CD ARG A 65 9.353 -6.466 -17.467 1.00 0.00 C ATOM 1004 NE ARG A 65 8.279 -6.734 -18.464 1.00 0.00 N ATOM 1005 CZ ARG A 65 7.870 -7.956 -18.668 1.00 0.00 C ATOM 1006 NH1 ARG A 65 8.606 -8.964 -18.287 1.00 0.00 N ATOM 1007 NH2 ARG A 65 6.725 -8.171 -19.254 1.00 0.00 N ATOM 0 H ARG A 65 8.951 -5.055 -14.206 1.00 0.00 H new ATOM 0 HA ARG A 65 9.284 -2.809 -15.852 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.652 -5.351 -16.014 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.434 -4.127 -17.249 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.571 -4.416 -18.118 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.283 -4.742 -16.550 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.311 -6.823 -17.844 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.151 -7.009 -16.544 1.00 0.00 H new ATOM 0 HE ARG A 65 7.864 -5.963 -18.987 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.502 -8.797 -17.829 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.285 -9.919 -18.447 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.149 -7.384 -19.553 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.405 -9.126 -19.414 1.00 0.00 H new ATOM 1021 N GLN A 66 6.159 -3.097 -14.775 1.00 0.00 N ATOM 1022 CA GLN A 66 4.931 -2.292 -14.531 1.00 0.00 C ATOM 1023 C GLN A 66 4.597 -2.336 -13.040 1.00 0.00 C ATOM 1024 O GLN A 66 4.457 -3.393 -12.458 1.00 0.00 O ATOM 1025 CB GLN A 66 3.764 -2.875 -15.331 1.00 0.00 C ATOM 1026 CG GLN A 66 4.174 -3.025 -16.797 1.00 0.00 C ATOM 1027 CD GLN A 66 3.612 -4.334 -17.354 1.00 0.00 C ATOM 1028 OE1 GLN A 66 2.492 -4.377 -17.821 1.00 0.00 O ATOM 1029 NE2 GLN A 66 4.347 -5.410 -17.321 1.00 0.00 N ATOM 0 H GLN A 66 6.085 -4.085 -14.531 1.00 0.00 H new ATOM 0 HA GLN A 66 5.100 -1.262 -14.844 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.477 -3.844 -14.922 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.893 -2.224 -15.251 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.802 -2.181 -17.378 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.260 -3.017 -16.884 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.288 -5.373 -16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.981 -6.289 -17.688 1.00 0.00 H new ATOM 1038 N GLY A 67 4.472 -1.199 -12.414 1.00 0.00 N ATOM 1039 CA GLY A 67 4.153 -1.182 -10.961 1.00 0.00 C ATOM 1040 C GLY A 67 4.895 -0.025 -10.294 1.00 0.00 C ATOM 1041 O GLY A 67 6.091 -0.078 -10.084 1.00 0.00 O ATOM 0 H GLY A 67 4.577 -0.281 -12.847 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.078 -1.073 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.443 -2.127 -10.502 1.00 0.00 H new ATOM 1045 N ARG A 68 4.195 1.022 -9.963 1.00 0.00 N ATOM 1046 CA ARG A 68 4.860 2.187 -9.313 1.00 0.00 C ATOM 1047 C ARG A 68 4.858 1.986 -7.797 1.00 0.00 C ATOM 1048 O ARG A 68 3.819 1.852 -7.180 1.00 0.00 O ATOM 1049 CB ARG A 68 4.094 3.467 -9.652 1.00 0.00 C ATOM 1050 CG ARG A 68 4.367 3.860 -11.104 1.00 0.00 C ATOM 1051 CD ARG A 68 3.909 5.301 -11.335 1.00 0.00 C ATOM 1052 NE ARG A 68 4.371 5.762 -12.673 1.00 0.00 N ATOM 1053 CZ ARG A 68 5.646 5.922 -12.903 1.00 0.00 C ATOM 1054 NH1 ARG A 68 6.364 6.659 -12.100 1.00 0.00 N ATOM 1055 NH2 ARG A 68 6.201 5.347 -13.933 1.00 0.00 N ATOM 0 H ARG A 68 3.191 1.123 -10.114 1.00 0.00 H new ATOM 0 HA ARG A 68 5.885 2.269 -9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.025 3.314 -9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.398 4.272 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.430 3.765 -11.324 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.840 3.186 -11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.823 5.363 -11.273 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.310 5.950 -10.557 1.00 0.00 H new ATOM 0 HE ARG A 68 3.692 5.953 -13.410 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.929 7.109 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.360 6.785 -12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.639 4.771 -14.560 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.197 5.473 -14.112 1.00 0.00 H new ATOM 1069 N ILE A 69 6.015 1.962 -7.191 1.00 0.00 N ATOM 1070 CA ILE A 69 6.083 1.767 -5.718 1.00 0.00 C ATOM 1071 C ILE A 69 5.099 0.672 -5.306 1.00 0.00 C ATOM 1072 O ILE A 69 3.983 0.948 -4.911 1.00 0.00 O ATOM 1073 CB ILE A 69 5.707 3.072 -5.018 1.00 0.00 C ATOM 1074 CG1 ILE A 69 6.799 4.119 -5.245 1.00 0.00 C ATOM 1075 CG2 ILE A 69 5.554 2.826 -3.515 1.00 0.00 C ATOM 1076 CD1 ILE A 69 6.398 5.424 -4.554 1.00 0.00 C ATOM 0 H ILE A 69 6.917 2.069 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 69 7.094 1.476 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 69 4.765 3.434 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.750 3.762 -4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.941 4.288 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.286 3.759 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.771 2.087 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.496 2.457 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.174 6.173 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.457 5.782 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.278 5.248 -3.485 1.00 0.00 H new ATOM 1088 N ARG A 70 5.492 -0.570 -5.391 1.00 0.00 N ATOM 1089 CA ARG A 70 4.561 -1.661 -4.996 1.00 0.00 C ATOM 1090 C ARG A 70 4.747 -1.959 -3.509 1.00 0.00 C ATOM 1091 O ARG A 70 5.768 -2.466 -3.091 1.00 0.00 O ATOM 1092 CB ARG A 70 4.859 -2.919 -5.813 1.00 0.00 C ATOM 1093 CG ARG A 70 3.894 -2.997 -6.997 1.00 0.00 C ATOM 1094 CD ARG A 70 2.461 -3.124 -6.480 1.00 0.00 C ATOM 1095 NE ARG A 70 1.575 -2.203 -7.247 1.00 0.00 N ATOM 1096 CZ ARG A 70 0.705 -2.687 -8.090 1.00 0.00 C ATOM 1097 NH1 ARG A 70 1.109 -3.221 -9.210 1.00 0.00 N ATOM 1098 NH2 ARG A 70 -0.569 -2.634 -7.814 1.00 0.00 N ATOM 0 H ARG A 70 6.411 -0.873 -5.714 1.00 0.00 H new ATOM 0 HA ARG A 70 3.533 -1.351 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.889 -2.899 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.756 -3.805 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.990 -2.106 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.142 -3.852 -7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.114 -4.152 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.423 -2.882 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 70 1.649 -1.195 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.105 -3.260 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.429 -3.599 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.884 -2.214 -6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.250 -3.012 -8.473 1.00 0.00 H new ATOM 1112 N LEU A 71 3.772 -1.645 -2.704 1.00 0.00 N ATOM 1113 CA LEU A 71 3.902 -1.909 -1.246 1.00 0.00 C ATOM 1114 C LEU A 71 3.148 -3.189 -0.889 1.00 0.00 C ATOM 1115 O LEU A 71 2.168 -3.541 -1.515 1.00 0.00 O ATOM 1116 CB LEU A 71 3.321 -0.733 -0.459 1.00 0.00 C ATOM 1117 CG LEU A 71 4.294 0.447 -0.506 1.00 0.00 C ATOM 1118 CD1 LEU A 71 3.817 1.540 0.450 1.00 0.00 C ATOM 1119 CD2 LEU A 71 5.688 -0.023 -0.083 1.00 0.00 C ATOM 0 H LEU A 71 2.892 -1.218 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 71 4.955 -2.028 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.359 -0.441 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.141 -1.028 0.575 1.00 0.00 H new ATOM 0 HG LEU A 71 4.335 0.842 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.510 2.381 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.824 1.876 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.776 1.144 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.381 0.818 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.646 -0.419 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.031 -0.803 -0.763 1.00 0.00 H new ATOM 1131 N SER A 72 3.602 -3.890 0.111 1.00 0.00 N ATOM 1132 CA SER A 72 2.921 -5.150 0.510 1.00 0.00 C ATOM 1133 C SER A 72 2.322 -4.988 1.909 1.00 0.00 C ATOM 1134 O SER A 72 3.025 -4.972 2.899 1.00 0.00 O ATOM 1135 CB SER A 72 3.934 -6.285 0.514 1.00 0.00 C ATOM 1136 OG SER A 72 3.523 -7.284 -0.409 1.00 0.00 O ATOM 0 H SER A 72 4.418 -3.643 0.671 1.00 0.00 H new ATOM 0 HA SER A 72 2.123 -5.376 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.921 -5.908 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.017 -6.710 1.514 1.00 0.00 H new ATOM 0 HG SER A 72 4.174 -8.016 -0.410 1.00 0.00 H new ATOM 1142 N ILE A 73 1.025 -4.867 1.997 1.00 0.00 N ATOM 1143 CA ILE A 73 0.379 -4.706 3.329 1.00 0.00 C ATOM 1144 C ILE A 73 0.576 -5.991 4.145 1.00 0.00 C ATOM 1145 O ILE A 73 0.398 -7.086 3.650 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.120 -4.389 3.124 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.421 -3.004 3.701 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.018 -5.424 3.816 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -2.877 -2.639 3.411 1.00 0.00 C ATOM 0 H ILE A 73 0.385 -4.873 1.203 1.00 0.00 H new ATOM 0 HA ILE A 73 0.833 -3.882 3.880 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.329 -4.418 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.240 -2.999 4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.754 -2.262 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.064 -5.167 3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.817 -6.413 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.811 -5.427 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.093 -1.653 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.042 -2.628 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.535 -3.376 3.871 1.00 0.00 H new ATOM 1161 N LYS A 74 0.935 -5.861 5.393 1.00 0.00 N ATOM 1162 CA LYS A 74 1.136 -7.069 6.239 1.00 0.00 C ATOM 1163 C LYS A 74 -0.224 -7.588 6.707 1.00 0.00 C ATOM 1164 O LYS A 74 -1.221 -7.441 6.028 1.00 0.00 O ATOM 1165 CB LYS A 74 1.991 -6.702 7.454 1.00 0.00 C ATOM 1166 CG LYS A 74 2.968 -7.840 7.758 1.00 0.00 C ATOM 1167 CD LYS A 74 4.204 -7.706 6.866 1.00 0.00 C ATOM 1168 CE LYS A 74 4.413 -9.004 6.083 1.00 0.00 C ATOM 1169 NZ LYS A 74 5.067 -10.015 6.962 1.00 0.00 N ATOM 0 H LYS A 74 1.098 -4.970 5.862 1.00 0.00 H new ATOM 0 HA LYS A 74 1.642 -7.843 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.540 -5.780 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.353 -6.517 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.260 -7.812 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.486 -8.802 7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.080 -6.870 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.083 -7.490 7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.456 -9.383 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.031 -8.816 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.209 -10.897 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.987 -9.652 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.461 -10.202 7.787 1.00 0.00 H new ATOM 1183 N GLU A 75 -0.277 -8.192 7.861 1.00 0.00 N ATOM 1184 CA GLU A 75 -1.577 -8.716 8.367 1.00 0.00 C ATOM 1185 C GLU A 75 -2.537 -7.550 8.612 1.00 0.00 C ATOM 1186 O GLU A 75 -3.699 -7.604 8.259 1.00 0.00 O ATOM 1187 CB GLU A 75 -1.347 -9.472 9.676 1.00 0.00 C ATOM 1188 CG GLU A 75 -0.922 -10.909 9.370 1.00 0.00 C ATOM 1189 CD GLU A 75 0.604 -10.990 9.313 1.00 0.00 C ATOM 1190 OE1 GLU A 75 1.174 -10.434 8.389 1.00 0.00 O ATOM 1191 OE2 GLU A 75 1.178 -11.606 10.196 1.00 0.00 O ATOM 0 H GLU A 75 0.522 -8.346 8.476 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.008 -9.392 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.579 -8.973 10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.259 -9.471 10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.304 -11.583 10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.349 -11.231 8.420 1.00 0.00 H new ATOM 1198 N ALA A 76 -2.061 -6.494 9.215 1.00 0.00 N ATOM 1199 CA ALA A 76 -2.946 -5.327 9.485 1.00 0.00 C ATOM 1200 C ALA A 76 -4.259 -5.814 10.100 1.00 0.00 C ATOM 1201 O ALA A 76 -5.228 -5.075 10.040 1.00 0.00 O ATOM 1202 CB ALA A 76 -3.237 -4.593 8.175 1.00 0.00 C ATOM 1203 OXT ALA A 76 -4.274 -6.918 10.619 1.00 0.00 O ATOM 0 H ALA A 76 -1.097 -6.390 9.532 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.450 -4.648 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.885 -3.739 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.301 -4.245 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.733 -5.271 7.480 1.00 0.00 H new TER 1209 ALA A 76