USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 Single : A 15 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.17) USER MOD Single : A 20 HIS : no HE2:sc= 0.526 K(o=0.53,f=-6.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 79:sc= 1.23 USER MOD Single : A 31 ASN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : A 39 SER OG : rot 21:sc= 0.835 USER MOD Single : A 44 THR OG1 : rot 38:sc= 1.01 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 47 SER OG : rot 180:sc= 0.001 USER MOD Single : A 48 SER OG : rot 177:sc= -1.26 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0.427 (180deg=0.292) USER MOD Single : A 55 SER OG : rot -37:sc= 0.0788 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 30:sc= 1.24 USER MOD Single : A 68 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00759 X(o=-0.0076,f=-0.0076) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.971) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0681 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 25.391 -4.919 1.267 1.00 0.00 N ATOM 2 CA LYS A 15 23.945 -5.099 1.511 1.00 0.00 C ATOM 3 C LYS A 15 23.245 -5.510 0.222 1.00 0.00 C ATOM 4 O LYS A 15 23.627 -5.069 -0.862 1.00 0.00 O ATOM 5 CB LYS A 15 23.330 -3.809 2.076 1.00 0.00 C ATOM 6 CG LYS A 15 23.479 -2.591 1.176 1.00 0.00 C ATOM 7 CD LYS A 15 23.019 -1.323 1.878 1.00 0.00 C ATOM 8 CE LYS A 15 23.162 -0.095 0.988 1.00 0.00 C ATOM 9 NZ LYS A 15 22.170 -0.084 -0.122 1.00 0.00 N ATOM 0 HA LYS A 15 23.809 -5.891 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.270 -3.979 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 15 23.793 -3.592 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 24.521 -2.484 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.897 -2.736 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.977 -1.433 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.601 -1.181 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.039 0.805 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.169 -0.065 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.166 0.852 -0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.426 -0.807 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.223 -0.289 0.256 1.00 0.00 H new ATOM 25 N PRO A 16 22.231 -6.383 0.317 1.00 0.00 N ATOM 26 CA PRO A 16 21.472 -6.835 -0.850 1.00 0.00 C ATOM 27 C PRO A 16 20.615 -5.722 -1.439 1.00 0.00 C ATOM 28 O PRO A 16 19.857 -5.064 -0.726 1.00 0.00 O ATOM 29 CB PRO A 16 20.591 -7.957 -0.293 1.00 0.00 C ATOM 30 CG PRO A 16 20.454 -7.650 1.157 1.00 0.00 C ATOM 31 CD PRO A 16 21.748 -7.001 1.566 1.00 0.00 C ATOM 0 HA PRO A 16 22.122 -7.157 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.619 -7.978 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 16 21.049 -8.934 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 16 19.610 -6.985 1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 16 20.273 -8.558 1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 16 21.595 -6.258 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 16 22.458 -7.731 1.954 1.00 0.00 H new ATOM 39 N GLU A 17 20.743 -5.513 -2.738 1.00 0.00 N ATOM 40 CA GLU A 17 19.979 -4.486 -3.421 1.00 0.00 C ATOM 41 C GLU A 17 18.729 -5.086 -4.040 1.00 0.00 C ATOM 42 O GLU A 17 18.760 -5.630 -5.146 1.00 0.00 O ATOM 43 CB GLU A 17 20.822 -3.800 -4.497 1.00 0.00 C ATOM 44 CG GLU A 17 22.035 -3.065 -3.951 1.00 0.00 C ATOM 45 CD GLU A 17 21.668 -1.994 -2.949 1.00 0.00 C ATOM 46 OE1 GLU A 17 21.057 -0.983 -3.345 1.00 0.00 O ATOM 47 OE2 GLU A 17 22.005 -2.146 -1.757 1.00 0.00 O ATOM 0 H GLU A 17 21.371 -6.043 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 17 19.687 -3.735 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.156 -4.548 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.195 -3.093 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.707 -3.782 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.582 -2.611 -4.778 1.00 0.00 H new ATOM 54 N VAL A 18 17.641 -5.021 -3.303 1.00 0.00 N ATOM 55 CA VAL A 18 16.367 -5.528 -3.778 1.00 0.00 C ATOM 56 C VAL A 18 15.575 -4.404 -4.420 1.00 0.00 C ATOM 57 O VAL A 18 15.197 -4.473 -5.591 1.00 0.00 O ATOM 58 CB VAL A 18 15.555 -6.159 -2.630 1.00 0.00 C ATOM 59 CG1 VAL A 18 14.256 -6.754 -3.148 1.00 0.00 C ATOM 60 CG2 VAL A 18 16.387 -7.214 -1.912 1.00 0.00 C ATOM 0 H VAL A 18 17.611 -4.620 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 18 16.562 -6.304 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 18 15.301 -5.375 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.701 -7.193 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.656 -5.971 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.478 -7.526 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 18 15.801 -7.651 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 18 16.672 -7.995 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.284 -6.752 -1.501 1.00 0.00 H new ATOM 70 N GLU A 19 15.354 -3.364 -3.647 1.00 0.00 N ATOM 71 CA GLU A 19 14.682 -2.177 -4.133 1.00 0.00 C ATOM 72 C GLU A 19 15.718 -1.104 -4.438 1.00 0.00 C ATOM 73 O GLU A 19 16.921 -1.368 -4.372 1.00 0.00 O ATOM 74 CB GLU A 19 13.678 -1.683 -3.092 1.00 0.00 C ATOM 75 CG GLU A 19 12.571 -2.683 -2.792 1.00 0.00 C ATOM 76 CD GLU A 19 11.819 -3.112 -4.035 1.00 0.00 C ATOM 77 OE1 GLU A 19 11.051 -2.295 -4.580 1.00 0.00 O ATOM 78 OE2 GLU A 19 11.987 -4.270 -4.473 1.00 0.00 O ATOM 0 H GLU A 19 15.633 -3.316 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 19 14.136 -2.410 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.209 -1.453 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.231 -0.753 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.001 -3.562 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.871 -2.242 -2.083 1.00 0.00 H new ATOM 85 N HIS A 20 15.274 0.097 -4.775 1.00 0.00 N ATOM 86 CA HIS A 20 16.206 1.166 -5.106 1.00 0.00 C ATOM 87 C HIS A 20 16.767 1.803 -3.842 1.00 0.00 C ATOM 88 O HIS A 20 17.971 2.042 -3.739 1.00 0.00 O ATOM 89 CB HIS A 20 15.542 2.225 -5.988 1.00 0.00 C ATOM 90 CG HIS A 20 15.168 1.719 -7.347 1.00 0.00 C ATOM 91 ND1 HIS A 20 13.873 1.693 -7.813 1.00 0.00 N ATOM 92 CD2 HIS A 20 15.933 1.223 -8.348 1.00 0.00 C ATOM 93 CE1 HIS A 20 13.855 1.201 -9.036 1.00 0.00 C ATOM 94 NE2 HIS A 20 15.092 0.909 -9.383 1.00 0.00 N ATOM 0 H HIS A 20 14.289 0.355 -4.827 1.00 0.00 H new ATOM 0 HA HIS A 20 17.030 0.726 -5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.647 2.595 -5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.219 3.072 -6.098 1.00 0.00 H new ATOM 0 HD1 HIS A 20 13.054 2.006 -7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 20 17.006 1.098 -8.333 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.977 1.061 -9.649 1.00 0.00 H new ATOM 103 N THR A 21 15.899 2.056 -2.872 1.00 0.00 N ATOM 104 CA THR A 21 16.318 2.667 -1.621 1.00 0.00 C ATOM 105 C THR A 21 15.186 2.636 -0.598 1.00 0.00 C ATOM 106 O THR A 21 14.021 2.443 -0.955 1.00 0.00 O ATOM 107 CB THR A 21 16.792 4.128 -1.836 1.00 0.00 C ATOM 108 OG1 THR A 21 17.222 4.707 -0.596 1.00 0.00 O ATOM 109 CG2 THR A 21 15.690 4.986 -2.438 1.00 0.00 C ATOM 0 H THR A 21 14.902 1.847 -2.928 1.00 0.00 H new ATOM 0 HA THR A 21 17.158 2.086 -1.240 1.00 0.00 H new ATOM 0 HB THR A 21 17.630 4.098 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.519 5.628 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.055 6.004 -2.576 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.393 4.573 -3.402 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.830 4.997 -1.768 1.00 0.00 H new ATOM 117 N HIS A 22 15.534 2.820 0.673 1.00 0.00 N ATOM 118 CA HIS A 22 14.542 2.885 1.742 1.00 0.00 C ATOM 119 C HIS A 22 13.594 4.052 1.518 1.00 0.00 C ATOM 120 O HIS A 22 12.409 3.967 1.830 1.00 0.00 O ATOM 121 CB HIS A 22 15.207 3.040 3.111 1.00 0.00 C ATOM 122 CG HIS A 22 15.934 1.819 3.583 1.00 0.00 C ATOM 123 ND1 HIS A 22 17.301 1.776 3.772 1.00 0.00 N ATOM 124 CD2 HIS A 22 15.471 0.595 3.924 1.00 0.00 C ATOM 125 CE1 HIS A 22 17.642 0.577 4.208 1.00 0.00 C ATOM 126 NE2 HIS A 22 16.551 -0.156 4.308 1.00 0.00 N ATOM 0 H HIS A 22 16.498 2.927 0.988 1.00 0.00 H new ATOM 0 HA HIS A 22 13.985 1.948 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.909 3.873 3.069 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.445 3.302 3.845 1.00 0.00 H new ATOM 0 HD2 HIS A 22 14.441 0.270 3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 22 18.645 0.252 4.443 1.00 0.00 H new ATOM 0 HE2 HIS A 22 16.516 -1.126 4.621 1.00 0.00 H new ATOM 135 N SER A 23 14.123 5.136 0.964 1.00 0.00 N ATOM 136 CA SER A 23 13.322 6.318 0.683 1.00 0.00 C ATOM 137 C SER A 23 12.221 5.976 -0.316 1.00 0.00 C ATOM 138 O SER A 23 11.131 6.550 -0.278 1.00 0.00 O ATOM 139 CB SER A 23 14.209 7.443 0.137 1.00 0.00 C ATOM 140 OG SER A 23 13.510 8.678 0.086 1.00 0.00 O ATOM 0 H SER A 23 15.105 5.220 0.701 1.00 0.00 H new ATOM 0 HA SER A 23 12.861 6.661 1.609 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.092 7.549 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.559 7.180 -0.861 1.00 0.00 H new ATOM 0 HG SER A 23 14.103 9.375 -0.265 1.00 0.00 H new ATOM 146 N GLU A 24 12.505 5.008 -1.183 1.00 0.00 N ATOM 147 CA GLU A 24 11.549 4.579 -2.188 1.00 0.00 C ATOM 148 C GLU A 24 10.410 3.810 -1.542 1.00 0.00 C ATOM 149 O GLU A 24 9.241 4.087 -1.800 1.00 0.00 O ATOM 150 CB GLU A 24 12.236 3.715 -3.248 1.00 0.00 C ATOM 151 CG GLU A 24 11.267 3.009 -4.183 1.00 0.00 C ATOM 152 CD GLU A 24 11.971 2.227 -5.268 1.00 0.00 C ATOM 153 OE1 GLU A 24 12.670 1.242 -4.947 1.00 0.00 O ATOM 154 OE2 GLU A 24 11.828 2.591 -6.453 1.00 0.00 O ATOM 0 H GLU A 24 13.393 4.507 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 24 11.141 5.465 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.904 4.342 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.856 2.969 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.637 2.334 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.608 3.746 -4.641 1.00 0.00 H new ATOM 161 N ARG A 25 10.747 2.861 -0.678 1.00 0.00 N ATOM 162 CA ARG A 25 9.728 2.074 -0.006 1.00 0.00 C ATOM 163 C ARG A 25 8.918 2.972 0.929 1.00 0.00 C ATOM 164 O ARG A 25 7.704 2.818 1.062 1.00 0.00 O ATOM 165 CB ARG A 25 10.344 0.891 0.761 1.00 0.00 C ATOM 166 CG ARG A 25 10.968 1.256 2.099 1.00 0.00 C ATOM 167 CD ARG A 25 11.348 0.021 2.895 1.00 0.00 C ATOM 168 NE ARG A 25 11.752 0.353 4.260 1.00 0.00 N ATOM 169 CZ ARG A 25 12.012 -0.552 5.204 1.00 0.00 C ATOM 170 NH1 ARG A 25 11.956 -1.849 4.929 1.00 0.00 N ATOM 171 NH2 ARG A 25 12.340 -0.153 6.422 1.00 0.00 N ATOM 0 H ARG A 25 11.707 2.621 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 25 9.062 1.654 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.570 0.142 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.106 0.427 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.854 1.869 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.267 1.859 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.502 -0.666 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.163 -0.498 2.392 1.00 0.00 H new ATOM 0 HE ARG A 25 11.841 1.339 4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.712 -2.161 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.157 -2.534 5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.393 0.843 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.540 -0.841 7.148 1.00 0.00 H new ATOM 185 N GLU A 26 9.602 3.927 1.554 1.00 0.00 N ATOM 186 CA GLU A 26 8.967 4.872 2.448 1.00 0.00 C ATOM 187 C GLU A 26 7.947 5.734 1.708 1.00 0.00 C ATOM 188 O GLU A 26 6.817 5.904 2.168 1.00 0.00 O ATOM 189 CB GLU A 26 10.047 5.754 3.062 1.00 0.00 C ATOM 190 CG GLU A 26 9.531 6.770 4.052 1.00 0.00 C ATOM 191 CD GLU A 26 8.917 6.131 5.279 1.00 0.00 C ATOM 192 OE1 GLU A 26 9.632 5.395 5.994 1.00 0.00 O ATOM 193 OE2 GLU A 26 7.723 6.366 5.545 1.00 0.00 O ATOM 0 H GLU A 26 10.608 4.061 1.451 1.00 0.00 H new ATOM 0 HA GLU A 26 8.434 4.326 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.779 5.118 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.571 6.277 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.350 7.421 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.787 7.400 3.565 1.00 0.00 H new ATOM 200 N LYS A 27 8.331 6.246 0.543 1.00 0.00 N ATOM 201 CA LYS A 27 7.447 7.122 -0.215 1.00 0.00 C ATOM 202 C LYS A 27 6.279 6.339 -0.803 1.00 0.00 C ATOM 203 O LYS A 27 5.178 6.868 -0.927 1.00 0.00 O ATOM 204 CB LYS A 27 8.203 7.870 -1.322 1.00 0.00 C ATOM 205 CG LYS A 27 8.659 6.998 -2.479 1.00 0.00 C ATOM 206 CD LYS A 27 9.395 7.813 -3.527 1.00 0.00 C ATOM 207 CE LYS A 27 9.829 6.957 -4.706 1.00 0.00 C ATOM 208 NZ LYS A 27 10.626 7.735 -5.689 1.00 0.00 N ATOM 0 H LYS A 27 9.237 6.072 0.108 1.00 0.00 H new ATOM 0 HA LYS A 27 7.053 7.864 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.561 8.660 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.076 8.355 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.310 6.207 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.796 6.512 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.750 8.618 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.270 8.280 -3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.419 6.114 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.949 6.543 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.903 7.117 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.055 8.525 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.479 8.109 -5.226 1.00 0.00 H new ATOM 222 N ARG A 28 6.511 5.076 -1.148 1.00 0.00 N ATOM 223 CA ARG A 28 5.447 4.234 -1.681 1.00 0.00 C ATOM 224 C ARG A 28 4.347 4.055 -0.649 1.00 0.00 C ATOM 225 O ARG A 28 3.166 4.220 -0.952 1.00 0.00 O ATOM 226 CB ARG A 28 5.977 2.867 -2.108 1.00 0.00 C ATOM 227 CG ARG A 28 6.896 2.916 -3.314 1.00 0.00 C ATOM 228 CD ARG A 28 7.229 1.523 -3.815 1.00 0.00 C ATOM 229 NE ARG A 28 7.813 0.678 -2.770 1.00 0.00 N ATOM 230 CZ ARG A 28 8.732 -0.260 -2.992 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.212 -0.456 -4.213 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.173 -0.997 -1.984 1.00 0.00 N ATOM 0 H ARG A 28 7.418 4.617 -1.069 1.00 0.00 H new ATOM 0 HA ARG A 28 5.042 4.734 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.514 2.418 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.133 2.214 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.421 3.487 -4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.816 3.439 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.324 1.051 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.926 1.597 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 28 7.495 0.817 -1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.877 0.114 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.916 -1.176 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.809 -0.845 -1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.877 -1.717 -2.148 1.00 0.00 H new ATOM 246 N VAL A 29 4.742 3.737 0.577 1.00 0.00 N ATOM 247 CA VAL A 29 3.784 3.597 1.661 1.00 0.00 C ATOM 248 C VAL A 29 3.125 4.939 1.953 1.00 0.00 C ATOM 249 O VAL A 29 1.920 5.008 2.174 1.00 0.00 O ATOM 250 CB VAL A 29 4.439 3.044 2.944 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.420 2.924 4.068 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.081 1.696 2.668 1.00 0.00 C ATOM 0 H VAL A 29 5.713 3.572 0.843 1.00 0.00 H new ATOM 0 HA VAL A 29 3.029 2.879 1.339 1.00 0.00 H new ATOM 0 HB VAL A 29 5.212 3.744 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.907 2.532 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.001 3.906 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.621 2.248 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.539 1.317 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.321 0.994 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.845 1.807 1.898 1.00 0.00 H new ATOM 262 N SER A 30 3.915 6.009 1.911 1.00 0.00 N ATOM 263 CA SER A 30 3.390 7.354 2.121 1.00 0.00 C ATOM 264 C SER A 30 2.293 7.674 1.102 1.00 0.00 C ATOM 265 O SER A 30 1.221 8.161 1.465 1.00 0.00 O ATOM 266 CB SER A 30 4.516 8.388 2.023 1.00 0.00 C ATOM 267 OG SER A 30 5.542 8.123 2.968 1.00 0.00 O ATOM 0 H SER A 30 4.919 5.970 1.734 1.00 0.00 H new ATOM 0 HA SER A 30 2.957 7.397 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.934 8.379 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.112 9.386 2.192 1.00 0.00 H new ATOM 0 HG SER A 30 6.117 7.403 2.633 1.00 0.00 H new ATOM 273 N ASN A 31 2.562 7.370 -0.166 1.00 0.00 N ATOM 274 CA ASN A 31 1.596 7.589 -1.241 1.00 0.00 C ATOM 275 C ASN A 31 0.344 6.741 -1.038 1.00 0.00 C ATOM 276 O ASN A 31 -0.768 7.169 -1.343 1.00 0.00 O ATOM 277 CB ASN A 31 2.215 7.273 -2.610 1.00 0.00 C ATOM 278 CG ASN A 31 3.016 8.429 -3.184 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.476 9.290 -3.882 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.308 8.451 -2.911 1.00 0.00 N ATOM 0 H ASN A 31 3.447 6.969 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 31 1.315 8.642 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.863 6.401 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.421 7.007 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.895 9.198 -3.282 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.719 7.721 -2.329 1.00 0.00 H new ATOM 287 N ALA A 32 0.528 5.535 -0.530 1.00 0.00 N ATOM 288 CA ALA A 32 -0.588 4.630 -0.296 1.00 0.00 C ATOM 289 C ALA A 32 -1.435 5.099 0.877 1.00 0.00 C ATOM 290 O ALA A 32 -2.659 5.132 0.790 1.00 0.00 O ATOM 291 CB ALA A 32 -0.080 3.221 -0.057 1.00 0.00 C ATOM 0 H ALA A 32 1.440 5.158 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.219 4.629 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.925 2.554 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.476 2.882 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.574 3.213 0.815 1.00 0.00 H new ATOM 297 N VAL A 33 -0.773 5.489 1.958 1.00 0.00 N ATOM 298 CA VAL A 33 -1.463 5.960 3.153 1.00 0.00 C ATOM 299 C VAL A 33 -2.290 7.203 2.839 1.00 0.00 C ATOM 300 O VAL A 33 -3.443 7.310 3.249 1.00 0.00 O ATOM 301 CB VAL A 33 -0.459 6.265 4.290 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.150 6.880 5.499 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.267 4.996 4.699 1.00 0.00 C ATOM 0 H VAL A 33 0.244 5.489 2.033 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.131 5.167 3.488 1.00 0.00 H new ATOM 0 HB VAL A 33 0.261 6.990 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.413 7.080 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.632 7.813 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.901 6.188 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.971 5.222 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.456 4.260 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.808 4.594 3.842 1.00 0.00 H new ATOM 313 N GLU A 34 -1.711 8.120 2.074 1.00 0.00 N ATOM 314 CA GLU A 34 -2.401 9.355 1.727 1.00 0.00 C ATOM 315 C GLU A 34 -3.582 9.077 0.794 1.00 0.00 C ATOM 316 O GLU A 34 -4.619 9.732 0.882 1.00 0.00 O ATOM 317 CB GLU A 34 -1.428 10.354 1.087 1.00 0.00 C ATOM 318 CG GLU A 34 -0.956 9.962 -0.300 1.00 0.00 C ATOM 319 CD GLU A 34 -0.092 11.019 -0.947 1.00 0.00 C ATOM 320 OE1 GLU A 34 1.121 11.068 -0.659 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.618 11.805 -1.758 1.00 0.00 O ATOM 0 H GLU A 34 -0.772 8.033 1.685 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.792 9.795 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.911 11.330 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.559 10.465 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.395 9.030 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.823 9.771 -0.933 1.00 0.00 H new ATOM 328 N PHE A 35 -3.425 8.101 -0.097 1.00 0.00 N ATOM 329 CA PHE A 35 -4.483 7.742 -1.035 1.00 0.00 C ATOM 330 C PHE A 35 -5.616 7.018 -0.317 1.00 0.00 C ATOM 331 O PHE A 35 -6.786 7.324 -0.521 1.00 0.00 O ATOM 332 CB PHE A 35 -3.910 6.864 -2.154 1.00 0.00 C ATOM 333 CG PHE A 35 -4.923 6.407 -3.165 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.384 5.100 -3.160 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.411 7.281 -4.123 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.312 4.673 -4.089 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.340 6.861 -5.055 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.792 5.555 -5.038 1.00 0.00 C ATOM 0 H PHE A 35 -2.575 7.545 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.888 8.655 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.126 7.419 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.440 5.988 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.013 4.407 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.061 8.303 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.662 3.651 -4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.713 7.552 -5.796 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.519 5.225 -5.765 1.00 0.00 H new ATOM 348 N LEU A 36 -5.252 6.093 0.558 1.00 0.00 N ATOM 349 CA LEU A 36 -6.223 5.308 1.311 1.00 0.00 C ATOM 350 C LEU A 36 -7.039 6.183 2.256 1.00 0.00 C ATOM 351 O LEU A 36 -8.198 5.886 2.549 1.00 0.00 O ATOM 352 CB LEU A 36 -5.511 4.209 2.090 1.00 0.00 C ATOM 353 CG LEU A 36 -4.920 3.085 1.240 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.121 2.129 2.111 1.00 0.00 C ATOM 355 CD2 LEU A 36 -6.020 2.340 0.501 1.00 0.00 C ATOM 0 H LEU A 36 -4.280 5.865 0.767 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.915 4.856 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.709 4.661 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.215 3.774 2.799 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.249 3.525 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.706 1.333 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.310 2.671 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.773 1.696 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.580 1.543 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.716 1.910 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.554 3.032 -0.150 1.00 0.00 H new ATOM 367 N LEU A 37 -6.427 7.261 2.725 1.00 0.00 N ATOM 368 CA LEU A 37 -7.055 8.142 3.701 1.00 0.00 C ATOM 369 C LEU A 37 -7.948 9.181 3.042 1.00 0.00 C ATOM 370 O LEU A 37 -8.444 10.093 3.704 1.00 0.00 O ATOM 371 CB LEU A 37 -5.989 8.842 4.541 1.00 0.00 C ATOM 372 CG LEU A 37 -5.469 8.023 5.715 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.317 8.736 6.402 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.601 7.764 6.691 1.00 0.00 C ATOM 0 H LEU A 37 -5.490 7.548 2.443 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.682 7.521 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.150 9.102 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.401 9.777 4.921 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.093 7.069 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.962 8.132 7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.505 8.884 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.657 9.703 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.230 7.178 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.992 8.714 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.396 7.214 6.188 1.00 0.00 H new ATOM 386 N ASP A 38 -8.156 9.052 1.745 1.00 0.00 N ATOM 387 CA ASP A 38 -9.040 9.963 1.046 1.00 0.00 C ATOM 388 C ASP A 38 -10.479 9.482 1.155 1.00 0.00 C ATOM 389 O ASP A 38 -10.747 8.285 1.041 1.00 0.00 O ATOM 390 CB ASP A 38 -8.653 10.091 -0.425 1.00 0.00 C ATOM 391 CG ASP A 38 -9.309 11.287 -1.096 1.00 0.00 C ATOM 392 OD1 ASP A 38 -8.582 12.238 -1.459 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.548 11.288 -1.254 1.00 0.00 O ATOM 0 H ASP A 38 -7.730 8.333 1.160 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.946 10.944 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.570 10.182 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.937 9.181 -0.953 1.00 0.00 H new ATOM 398 N SER A 39 -11.400 10.416 1.366 1.00 0.00 N ATOM 399 CA SER A 39 -12.808 10.088 1.531 1.00 0.00 C ATOM 400 C SER A 39 -13.333 9.284 0.340 1.00 0.00 C ATOM 401 O SER A 39 -14.064 8.315 0.523 1.00 0.00 O ATOM 402 CB SER A 39 -13.636 11.365 1.713 1.00 0.00 C ATOM 403 OG SER A 39 -14.992 11.065 2.001 1.00 0.00 O ATOM 0 H SER A 39 -11.193 11.413 1.427 1.00 0.00 H new ATOM 0 HA SER A 39 -12.905 9.472 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.214 11.962 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.580 11.969 0.808 1.00 0.00 H new ATOM 0 HG SER A 39 -15.058 10.151 2.348 1.00 0.00 H new ATOM 409 N ARG A 40 -12.930 9.662 -0.873 1.00 0.00 N ATOM 410 CA ARG A 40 -13.428 8.992 -2.076 1.00 0.00 C ATOM 411 C ARG A 40 -12.910 7.559 -2.147 1.00 0.00 C ATOM 412 O ARG A 40 -13.593 6.661 -2.639 1.00 0.00 O ATOM 413 CB ARG A 40 -13.023 9.754 -3.347 1.00 0.00 C ATOM 414 CG ARG A 40 -11.526 9.763 -3.606 1.00 0.00 C ATOM 415 CD ARG A 40 -11.165 10.547 -4.855 1.00 0.00 C ATOM 416 NE ARG A 40 -11.596 9.876 -6.081 1.00 0.00 N ATOM 417 CZ ARG A 40 -11.021 10.067 -7.269 1.00 0.00 C ATOM 418 NH1 ARG A 40 -9.996 10.907 -7.386 1.00 0.00 N ATOM 419 NH2 ARG A 40 -11.467 9.419 -8.337 1.00 0.00 N ATOM 0 H ARG A 40 -12.269 10.418 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.516 8.976 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.528 9.307 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.375 10.783 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.013 10.195 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.170 8.738 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.623 11.535 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.086 10.697 -4.887 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.380 9.226 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.649 11.406 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.557 11.052 -8.295 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.252 8.773 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.025 9.567 -9.245 1.00 0.00 H new ATOM 433 N VAL A 41 -11.705 7.353 -1.635 1.00 0.00 N ATOM 434 CA VAL A 41 -11.071 6.047 -1.665 1.00 0.00 C ATOM 435 C VAL A 41 -11.635 5.157 -0.567 1.00 0.00 C ATOM 436 O VAL A 41 -11.767 3.944 -0.736 1.00 0.00 O ATOM 437 CB VAL A 41 -9.541 6.173 -1.523 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.874 4.805 -1.515 1.00 0.00 C ATOM 439 CG2 VAL A 41 -8.986 7.031 -2.650 1.00 0.00 C ATOM 0 H VAL A 41 -11.145 8.081 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.285 5.588 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.323 6.653 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.796 4.927 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.254 4.220 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.095 4.287 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.905 7.116 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.221 6.569 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.434 8.024 -2.606 1.00 0.00 H new ATOM 449 N ARG A 42 -11.992 5.768 0.549 1.00 0.00 N ATOM 450 CA ARG A 42 -12.630 5.046 1.643 1.00 0.00 C ATOM 451 C ARG A 42 -14.019 4.551 1.234 1.00 0.00 C ATOM 452 O ARG A 42 -14.549 3.610 1.822 1.00 0.00 O ATOM 453 CB ARG A 42 -12.734 5.931 2.885 1.00 0.00 C ATOM 454 CG ARG A 42 -11.387 6.366 3.435 1.00 0.00 C ATOM 455 CD ARG A 42 -11.544 7.226 4.678 1.00 0.00 C ATOM 456 NE ARG A 42 -12.138 6.483 5.790 1.00 0.00 N ATOM 457 CZ ARG A 42 -12.438 7.019 6.973 1.00 0.00 C ATOM 458 NH1 ARG A 42 -12.208 8.308 7.205 1.00 0.00 N ATOM 459 NH2 ARG A 42 -12.968 6.260 7.927 1.00 0.00 N ATOM 0 H ARG A 42 -11.852 6.763 0.724 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.010 4.181 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.321 6.817 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.277 5.392 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.789 5.486 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.844 6.924 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.569 7.609 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.168 8.089 4.445 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.335 5.492 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.800 8.893 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.440 8.712 8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.144 5.271 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.199 6.667 8.833 1.00 0.00 H new ATOM 473 N ARG A 43 -14.604 5.187 0.225 1.00 0.00 N ATOM 474 CA ARG A 43 -15.941 4.822 -0.234 1.00 0.00 C ATOM 475 C ARG A 43 -15.891 3.689 -1.254 1.00 0.00 C ATOM 476 O ARG A 43 -16.899 3.027 -1.507 1.00 0.00 O ATOM 477 CB ARG A 43 -16.636 6.035 -0.846 1.00 0.00 C ATOM 478 CG ARG A 43 -16.753 7.201 0.113 1.00 0.00 C ATOM 479 CD ARG A 43 -17.330 8.430 -0.563 1.00 0.00 C ATOM 480 NE ARG A 43 -17.074 9.643 0.211 1.00 0.00 N ATOM 481 CZ ARG A 43 -17.802 10.753 0.124 1.00 0.00 C ATOM 482 NH1 ARG A 43 -18.863 10.795 -0.674 1.00 0.00 N ATOM 483 NH2 ARG A 43 -17.468 11.818 0.840 1.00 0.00 N ATOM 0 H ARG A 43 -14.176 5.956 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.506 4.476 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.085 6.354 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.633 5.745 -1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.386 6.918 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.770 7.438 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.897 8.535 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.404 8.302 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.287 9.638 0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.122 9.975 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.419 11.648 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.655 11.785 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -18.024 12.671 0.776 1.00 0.00 H new ATOM 497 N THR A 44 -14.726 3.468 -1.844 1.00 0.00 N ATOM 498 CA THR A 44 -14.559 2.384 -2.798 1.00 0.00 C ATOM 499 C THR A 44 -14.244 1.074 -2.081 1.00 0.00 C ATOM 500 O THR A 44 -13.808 1.084 -0.930 1.00 0.00 O ATOM 501 CB THR A 44 -13.455 2.702 -3.829 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.426 3.507 -3.238 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.035 3.418 -5.038 1.00 0.00 C ATOM 0 H THR A 44 -13.886 4.023 -1.680 1.00 0.00 H new ATOM 0 HA THR A 44 -15.502 2.275 -3.334 1.00 0.00 H new ATOM 0 HB THR A 44 -13.021 1.757 -4.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.270 3.214 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.239 3.632 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.785 2.784 -5.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.498 4.352 -4.720 1.00 0.00 H new ATOM 511 N PRO A 45 -14.487 -0.072 -2.737 1.00 0.00 N ATOM 512 CA PRO A 45 -14.195 -1.385 -2.157 1.00 0.00 C ATOM 513 C PRO A 45 -12.702 -1.588 -1.925 1.00 0.00 C ATOM 514 O PRO A 45 -11.866 -0.989 -2.610 1.00 0.00 O ATOM 515 CB PRO A 45 -14.713 -2.372 -3.206 1.00 0.00 C ATOM 516 CG PRO A 45 -14.743 -1.598 -4.475 1.00 0.00 C ATOM 517 CD PRO A 45 -15.070 -0.186 -4.085 1.00 0.00 C ATOM 0 HA PRO A 45 -14.660 -1.510 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.060 -3.241 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.704 -2.742 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.782 -1.650 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.491 -1.998 -5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.633 0.535 -4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.145 -0.008 -4.076 1.00 0.00 H new ATOM 525 N THR A 46 -12.375 -2.441 -0.967 1.00 0.00 N ATOM 526 CA THR A 46 -10.993 -2.700 -0.599 1.00 0.00 C ATOM 527 C THR A 46 -10.205 -3.248 -1.787 1.00 0.00 C ATOM 528 O THR A 46 -9.022 -2.947 -1.951 1.00 0.00 O ATOM 529 CB THR A 46 -10.923 -3.711 0.554 1.00 0.00 C ATOM 530 OG1 THR A 46 -12.140 -3.659 1.312 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.748 -3.412 1.470 1.00 0.00 C ATOM 0 H THR A 46 -13.057 -2.971 -0.425 1.00 0.00 H new ATOM 0 HA THR A 46 -10.554 -1.754 -0.283 1.00 0.00 H new ATOM 0 HB THR A 46 -10.788 -4.706 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.096 -4.306 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.722 -4.143 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.820 -3.467 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.859 -2.412 1.889 1.00 0.00 H new ATOM 539 N SER A 47 -10.881 -4.034 -2.620 1.00 0.00 N ATOM 540 CA SER A 47 -10.259 -4.633 -3.790 1.00 0.00 C ATOM 541 C SER A 47 -9.694 -3.559 -4.714 1.00 0.00 C ATOM 542 O SER A 47 -8.574 -3.678 -5.208 1.00 0.00 O ATOM 543 CB SER A 47 -11.283 -5.491 -4.535 1.00 0.00 C ATOM 544 OG SER A 47 -12.494 -4.778 -4.733 1.00 0.00 O ATOM 0 H SER A 47 -11.866 -4.270 -2.502 1.00 0.00 H new ATOM 0 HA SER A 47 -9.433 -5.264 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.875 -5.797 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.481 -6.401 -3.969 1.00 0.00 H new ATOM 0 HG SER A 47 -13.133 -5.345 -5.213 1.00 0.00 H new ATOM 550 N SER A 48 -10.466 -2.500 -4.912 1.00 0.00 N ATOM 551 CA SER A 48 -10.056 -1.399 -5.754 1.00 0.00 C ATOM 552 C SER A 48 -8.845 -0.685 -5.172 1.00 0.00 C ATOM 553 O SER A 48 -7.889 -0.384 -5.886 1.00 0.00 O ATOM 554 CB SER A 48 -11.212 -0.425 -5.897 1.00 0.00 C ATOM 555 OG SER A 48 -12.327 -1.051 -6.504 1.00 0.00 O ATOM 0 H SER A 48 -11.389 -2.385 -4.493 1.00 0.00 H new ATOM 0 HA SER A 48 -9.776 -1.791 -6.732 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.494 -0.042 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.900 0.431 -6.495 1.00 0.00 H new ATOM 0 HG SER A 48 -13.076 -0.420 -6.541 1.00 0.00 H new ATOM 561 N LYS A 49 -8.891 -0.438 -3.866 1.00 0.00 N ATOM 562 CA LYS A 49 -7.807 0.250 -3.174 1.00 0.00 C ATOM 563 C LYS A 49 -6.499 -0.498 -3.379 1.00 0.00 C ATOM 564 O LYS A 49 -5.484 0.083 -3.766 1.00 0.00 O ATOM 565 CB LYS A 49 -8.096 0.335 -1.675 1.00 0.00 C ATOM 566 CG LYS A 49 -9.466 0.887 -1.328 1.00 0.00 C ATOM 567 CD LYS A 49 -9.687 0.896 0.177 1.00 0.00 C ATOM 568 CE LYS A 49 -11.133 1.198 0.523 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.370 1.220 1.992 1.00 0.00 N ATOM 0 H LYS A 49 -9.670 -0.705 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.727 1.256 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.999 -0.661 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.337 0.961 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.563 1.900 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.237 0.284 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.406 -0.072 0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.038 1.641 0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.412 2.162 0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.778 0.449 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.371 1.430 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.129 0.293 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.775 1.953 2.429 1.00 0.00 H new ATOM 583 N VAL A 50 -6.548 -1.801 -3.141 1.00 0.00 N ATOM 584 CA VAL A 50 -5.359 -2.642 -3.221 1.00 0.00 C ATOM 585 C VAL A 50 -4.860 -2.750 -4.662 1.00 0.00 C ATOM 586 O VAL A 50 -3.660 -2.644 -4.923 1.00 0.00 O ATOM 587 CB VAL A 50 -5.630 -4.055 -2.656 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.386 -4.926 -2.742 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.115 -3.974 -1.219 1.00 0.00 C ATOM 0 H VAL A 50 -7.401 -2.301 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.588 -2.168 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.411 -4.513 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.605 -5.914 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.079 -5.020 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.581 -4.469 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.300 -4.979 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.356 -3.489 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.038 -3.396 -1.179 1.00 0.00 H new ATOM 599 N HIS A 51 -5.788 -2.943 -5.594 1.00 0.00 N ATOM 600 CA HIS A 51 -5.436 -3.119 -7.003 1.00 0.00 C ATOM 601 C HIS A 51 -4.806 -1.860 -7.585 1.00 0.00 C ATOM 602 O HIS A 51 -3.892 -1.939 -8.408 1.00 0.00 O ATOM 603 CB HIS A 51 -6.663 -3.515 -7.830 1.00 0.00 C ATOM 604 CG HIS A 51 -7.104 -4.932 -7.622 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.962 -5.586 -8.478 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.810 -5.820 -6.642 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.175 -6.809 -8.037 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.488 -6.978 -6.923 1.00 0.00 N ATOM 0 H HIS A 51 -6.789 -2.982 -5.402 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.702 -3.923 -7.051 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.488 -2.848 -7.580 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.441 -3.365 -8.887 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.161 -5.648 -5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.806 -7.549 -8.508 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.465 -7.830 -6.363 1.00 0.00 H new ATOM 617 N PHE A 52 -5.291 -0.701 -7.161 1.00 0.00 N ATOM 618 CA PHE A 52 -4.771 0.562 -7.665 1.00 0.00 C ATOM 619 C PHE A 52 -3.356 0.800 -7.148 1.00 0.00 C ATOM 620 O PHE A 52 -2.466 1.174 -7.911 1.00 0.00 O ATOM 621 CB PHE A 52 -5.685 1.723 -7.269 1.00 0.00 C ATOM 622 CG PHE A 52 -5.288 3.037 -7.884 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.631 4.000 -7.135 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.573 3.308 -9.213 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.266 5.207 -7.700 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.209 4.513 -9.783 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.555 5.464 -9.026 1.00 0.00 C ATOM 0 H PHE A 52 -6.039 -0.609 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.740 0.507 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.707 1.487 -7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.682 1.823 -6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.402 3.805 -6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.086 2.569 -9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.755 5.949 -7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.436 4.711 -10.820 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.270 6.407 -9.469 1.00 0.00 H new ATOM 637 N LEU A 53 -3.153 0.568 -5.856 1.00 0.00 N ATOM 638 CA LEU A 53 -1.842 0.750 -5.237 1.00 0.00 C ATOM 639 C LEU A 53 -0.816 -0.201 -5.838 1.00 0.00 C ATOM 640 O LEU A 53 0.328 0.183 -6.086 1.00 0.00 O ATOM 641 CB LEU A 53 -1.928 0.532 -3.725 1.00 0.00 C ATOM 642 CG LEU A 53 -2.822 1.518 -2.971 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.874 1.163 -1.495 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.327 2.946 -3.161 1.00 0.00 C ATOM 0 H LEU A 53 -3.880 0.253 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.521 1.773 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.293 -0.478 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.922 0.588 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.830 1.450 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.514 1.874 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.277 0.157 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.869 1.203 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.976 3.632 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.309 3.032 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.341 3.198 -4.221 1.00 0.00 H new ATOM 656 N LYS A 54 -1.229 -1.438 -6.079 1.00 0.00 N ATOM 657 CA LYS A 54 -0.364 -2.420 -6.696 1.00 0.00 C ATOM 658 C LYS A 54 0.021 -1.980 -8.105 1.00 0.00 C ATOM 659 O LYS A 54 1.174 -2.123 -8.520 1.00 0.00 O ATOM 660 CB LYS A 54 -1.066 -3.777 -6.737 1.00 0.00 C ATOM 661 CG LYS A 54 -0.193 -4.887 -7.280 1.00 0.00 C ATOM 662 CD LYS A 54 1.032 -5.092 -6.410 1.00 0.00 C ATOM 663 CE LYS A 54 2.047 -5.963 -7.105 1.00 0.00 C ATOM 664 NZ LYS A 54 3.310 -6.069 -6.331 1.00 0.00 N ATOM 0 H LYS A 54 -2.163 -1.781 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 54 0.546 -2.510 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.392 -4.040 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.963 -3.696 -7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.766 -5.813 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.116 -4.647 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.478 -4.127 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.739 -5.551 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.629 -6.958 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.260 -5.554 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.037 -6.531 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.634 -5.118 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.145 -6.633 -5.473 1.00 0.00 H new ATOM 678 N SER A 55 -0.943 -1.416 -8.822 1.00 0.00 N ATOM 679 CA SER A 55 -0.712 -0.939 -10.178 1.00 0.00 C ATOM 680 C SER A 55 0.171 0.311 -10.167 1.00 0.00 C ATOM 681 O SER A 55 0.694 0.724 -11.201 1.00 0.00 O ATOM 682 CB SER A 55 -2.052 -0.643 -10.863 1.00 0.00 C ATOM 683 OG SER A 55 -1.884 -0.395 -12.250 1.00 0.00 O ATOM 0 H SER A 55 -1.896 -1.278 -8.485 1.00 0.00 H new ATOM 0 HA SER A 55 -0.193 -1.716 -10.739 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.728 -1.487 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.519 0.222 -10.392 1.00 0.00 H new ATOM 0 HG SER A 55 -1.050 0.099 -12.395 1.00 0.00 H new ATOM 689 N LYS A 56 0.336 0.908 -8.990 1.00 0.00 N ATOM 690 CA LYS A 56 1.183 2.076 -8.835 1.00 0.00 C ATOM 691 C LYS A 56 2.636 1.676 -8.599 1.00 0.00 C ATOM 692 O LYS A 56 3.512 2.531 -8.489 1.00 0.00 O ATOM 693 CB LYS A 56 0.685 2.944 -7.682 1.00 0.00 C ATOM 694 CG LYS A 56 -0.590 3.705 -8.003 1.00 0.00 C ATOM 695 CD LYS A 56 -0.830 4.851 -7.030 1.00 0.00 C ATOM 696 CE LYS A 56 0.251 5.915 -7.148 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.098 7.156 -6.409 1.00 0.00 N ATOM 0 H LYS A 56 -0.111 0.596 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 56 1.134 2.650 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.512 2.312 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.465 3.656 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.532 4.097 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.438 3.021 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.805 5.298 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.854 4.466 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.191 5.519 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.410 6.153 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.667 7.852 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.981 7.550 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.224 6.936 -5.401 1.00 0.00 H new ATOM 711 N GLY A 57 2.886 0.376 -8.515 1.00 0.00 N ATOM 712 CA GLY A 57 4.245 -0.101 -8.351 1.00 0.00 C ATOM 713 C GLY A 57 4.558 -0.509 -6.927 1.00 0.00 C ATOM 714 O GLY A 57 5.714 -0.768 -6.589 1.00 0.00 O ATOM 0 H GLY A 57 2.175 -0.354 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.408 -0.952 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.939 0.680 -8.661 1.00 0.00 H new ATOM 718 N LEU A 58 3.537 -0.562 -6.084 1.00 0.00 N ATOM 719 CA LEU A 58 3.723 -0.974 -4.699 1.00 0.00 C ATOM 720 C LEU A 58 3.789 -2.485 -4.569 1.00 0.00 C ATOM 721 O LEU A 58 3.281 -3.225 -5.412 1.00 0.00 O ATOM 722 CB LEU A 58 2.606 -0.443 -3.804 1.00 0.00 C ATOM 723 CG LEU A 58 2.885 0.901 -3.135 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.809 2.041 -4.137 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.923 1.118 -1.984 1.00 0.00 C ATOM 0 H LEU A 58 2.576 -0.326 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 58 4.673 -0.549 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.698 -0.351 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.404 -1.181 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 58 3.900 0.886 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.012 2.985 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.548 1.884 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.812 2.073 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.130 2.079 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.900 1.110 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.047 0.321 -1.251 1.00 0.00 H new ATOM 737 N SER A 59 4.425 -2.929 -3.504 1.00 0.00 N ATOM 738 CA SER A 59 4.485 -4.337 -3.175 1.00 0.00 C ATOM 739 C SER A 59 3.434 -4.659 -2.118 1.00 0.00 C ATOM 740 O SER A 59 2.849 -3.750 -1.526 1.00 0.00 O ATOM 741 CB SER A 59 5.884 -4.681 -2.671 1.00 0.00 C ATOM 742 OG SER A 59 6.870 -4.278 -3.608 1.00 0.00 O ATOM 0 H SER A 59 4.914 -2.324 -2.844 1.00 0.00 H new ATOM 0 HA SER A 59 4.278 -4.935 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.062 -4.189 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.959 -5.754 -2.496 1.00 0.00 H new ATOM 0 HG SER A 59 7.759 -4.506 -3.265 1.00 0.00 H new ATOM 748 N ALA A 60 3.204 -5.939 -1.872 1.00 0.00 N ATOM 749 CA ALA A 60 2.182 -6.365 -0.927 1.00 0.00 C ATOM 750 C ALA A 60 2.494 -5.867 0.482 1.00 0.00 C ATOM 751 O ALA A 60 1.601 -5.430 1.205 1.00 0.00 O ATOM 752 CB ALA A 60 2.038 -7.878 -0.945 1.00 0.00 C ATOM 0 H ALA A 60 3.713 -6.704 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 60 1.233 -5.925 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.270 -8.179 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.753 -8.205 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.988 -8.337 -0.670 1.00 0.00 H new ATOM 758 N GLU A 61 3.771 -5.919 0.854 1.00 0.00 N ATOM 759 CA GLU A 61 4.218 -5.424 2.156 1.00 0.00 C ATOM 760 C GLU A 61 3.915 -3.938 2.307 1.00 0.00 C ATOM 761 O GLU A 61 3.477 -3.486 3.366 1.00 0.00 O ATOM 762 CB GLU A 61 5.718 -5.656 2.341 1.00 0.00 C ATOM 763 CG GLU A 61 6.098 -7.113 2.532 1.00 0.00 C ATOM 764 CD GLU A 61 7.595 -7.308 2.660 1.00 0.00 C ATOM 765 OE1 GLU A 61 8.228 -7.731 1.670 1.00 0.00 O ATOM 766 OE2 GLU A 61 8.151 -7.042 3.750 1.00 0.00 O ATOM 0 H GLU A 61 4.517 -6.300 0.271 1.00 0.00 H new ATOM 0 HA GLU A 61 3.674 -5.978 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.246 -5.264 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.060 -5.086 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.606 -7.500 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.729 -7.695 1.688 1.00 0.00 H new ATOM 773 N GLU A 62 4.134 -3.191 1.231 1.00 0.00 N ATOM 774 CA GLU A 62 3.902 -1.751 1.228 1.00 0.00 C ATOM 775 C GLU A 62 2.427 -1.462 1.465 1.00 0.00 C ATOM 776 O GLU A 62 2.062 -0.640 2.303 1.00 0.00 O ATOM 777 CB GLU A 62 4.323 -1.153 -0.117 1.00 0.00 C ATOM 778 CG GLU A 62 5.699 -1.594 -0.586 1.00 0.00 C ATOM 779 CD GLU A 62 6.818 -1.061 0.276 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.184 -1.723 1.270 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.359 0.010 -0.054 1.00 0.00 O ATOM 0 H GLU A 62 4.474 -3.562 0.344 1.00 0.00 H new ATOM 0 HA GLU A 62 4.494 -1.301 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.587 -1.430 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.308 -0.066 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.742 -2.683 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.850 -1.262 -1.613 1.00 0.00 H new ATOM 788 N ILE A 63 1.587 -2.169 0.721 1.00 0.00 N ATOM 789 CA ILE A 63 0.144 -2.012 0.814 1.00 0.00 C ATOM 790 C ILE A 63 -0.359 -2.439 2.194 1.00 0.00 C ATOM 791 O ILE A 63 -1.156 -1.740 2.820 1.00 0.00 O ATOM 792 CB ILE A 63 -0.560 -2.846 -0.277 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.035 -2.455 -1.662 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.069 -2.655 -0.208 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.421 -3.428 -2.755 1.00 0.00 C ATOM 0 H ILE A 63 1.887 -2.865 0.038 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.091 -0.958 0.665 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.340 -3.899 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.413 -1.465 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.052 -2.380 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.547 -3.251 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.432 -2.974 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.310 -1.603 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.014 -3.086 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.020 -4.414 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.507 -3.485 -2.824 1.00 0.00 H new ATOM 807 N CYS A 64 0.132 -3.584 2.663 1.00 0.00 N ATOM 808 CA CYS A 64 -0.237 -4.122 3.973 1.00 0.00 C ATOM 809 C CYS A 64 0.069 -3.117 5.082 1.00 0.00 C ATOM 810 O CYS A 64 -0.752 -2.884 5.977 1.00 0.00 O ATOM 811 CB CYS A 64 0.523 -5.430 4.224 1.00 0.00 C ATOM 812 SG CYS A 64 0.210 -6.193 5.831 1.00 0.00 S ATOM 0 H CYS A 64 0.795 -4.164 2.149 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.309 -4.317 3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.260 -6.142 3.442 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.592 -5.236 4.132 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.998 -5.909 6.219 1.00 0.00 H new ATOM 818 N GLU A 65 1.248 -2.522 5.010 1.00 0.00 N ATOM 819 CA GLU A 65 1.681 -1.552 5.992 1.00 0.00 C ATOM 820 C GLU A 65 0.846 -0.280 5.905 1.00 0.00 C ATOM 821 O GLU A 65 0.365 0.229 6.917 1.00 0.00 O ATOM 822 CB GLU A 65 3.157 -1.247 5.778 1.00 0.00 C ATOM 823 CG GLU A 65 3.676 -0.129 6.648 1.00 0.00 C ATOM 824 CD GLU A 65 5.179 0.012 6.563 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.895 -0.925 6.979 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.658 1.059 6.093 1.00 0.00 O ATOM 0 H GLU A 65 1.927 -2.700 4.270 1.00 0.00 H new ATOM 0 HA GLU A 65 1.542 -1.967 6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.738 -2.148 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.317 -0.986 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.208 0.809 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.388 -0.313 7.683 1.00 0.00 H new ATOM 833 N ALA A 66 0.662 0.212 4.685 1.00 0.00 N ATOM 834 CA ALA A 66 -0.110 1.426 4.452 1.00 0.00 C ATOM 835 C ALA A 66 -1.518 1.292 5.006 1.00 0.00 C ATOM 836 O ALA A 66 -2.003 2.180 5.706 1.00 0.00 O ATOM 837 CB ALA A 66 -0.166 1.743 2.967 1.00 0.00 C ATOM 0 H ALA A 66 1.039 -0.214 3.838 1.00 0.00 H new ATOM 0 HA ALA A 66 0.388 2.244 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.746 2.652 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.845 1.888 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.638 0.916 2.436 1.00 0.00 H new ATOM 843 N PHE A 67 -2.159 0.172 4.703 1.00 0.00 N ATOM 844 CA PHE A 67 -3.510 -0.096 5.179 1.00 0.00 C ATOM 845 C PHE A 67 -3.581 -0.021 6.697 1.00 0.00 C ATOM 846 O PHE A 67 -4.491 0.584 7.259 1.00 0.00 O ATOM 847 CB PHE A 67 -3.985 -1.469 4.702 1.00 0.00 C ATOM 848 CG PHE A 67 -4.887 -1.403 3.503 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.373 -1.444 2.219 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.256 -1.297 3.668 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.211 -1.377 1.121 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.097 -1.230 2.578 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.575 -1.270 1.302 1.00 0.00 C ATOM 0 H PHE A 67 -1.763 -0.570 4.126 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.166 0.670 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.117 -2.082 4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.511 -1.967 5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.306 -1.529 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.672 -1.266 4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.799 -1.408 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.164 -1.146 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.232 -1.218 0.446 1.00 0.00 H new ATOM 863 N THR A 68 -2.607 -0.612 7.361 1.00 0.00 N ATOM 864 CA THR A 68 -2.603 -0.642 8.810 1.00 0.00 C ATOM 865 C THR A 68 -2.431 0.767 9.378 1.00 0.00 C ATOM 866 O THR A 68 -3.006 1.104 10.412 1.00 0.00 O ATOM 867 CB THR A 68 -1.502 -1.573 9.341 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.568 -2.836 8.660 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.658 -1.800 10.838 1.00 0.00 C ATOM 0 H THR A 68 -1.812 -1.076 6.922 1.00 0.00 H new ATOM 0 HA THR A 68 -3.565 -1.034 9.139 1.00 0.00 H new ATOM 0 HB THR A 68 -0.536 -1.101 9.158 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.187 -2.744 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.867 -2.462 11.190 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.591 -0.845 11.360 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.628 -2.255 11.038 1.00 0.00 H new ATOM 877 N LYS A 69 -1.672 1.599 8.672 1.00 0.00 N ATOM 878 CA LYS A 69 -1.447 2.976 9.098 1.00 0.00 C ATOM 879 C LYS A 69 -2.703 3.831 8.940 1.00 0.00 C ATOM 880 O LYS A 69 -2.927 4.767 9.707 1.00 0.00 O ATOM 881 CB LYS A 69 -0.294 3.600 8.313 1.00 0.00 C ATOM 882 CG LYS A 69 1.027 2.880 8.511 1.00 0.00 C ATOM 883 CD LYS A 69 2.184 3.855 8.671 1.00 0.00 C ATOM 884 CE LYS A 69 2.373 4.711 7.433 1.00 0.00 C ATOM 885 NZ LYS A 69 3.544 5.621 7.553 1.00 0.00 N ATOM 0 H LYS A 69 -1.203 1.344 7.803 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.189 2.948 10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.544 3.600 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.181 4.642 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.965 2.242 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.217 2.228 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.002 4.497 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.101 3.301 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.504 4.066 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.473 5.301 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.635 6.186 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.409 6.255 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.408 5.059 7.692 1.00 0.00 H new ATOM 899 N VAL A 70 -3.528 3.507 7.949 1.00 0.00 N ATOM 900 CA VAL A 70 -4.729 4.294 7.679 1.00 0.00 C ATOM 901 C VAL A 70 -5.885 3.869 8.582 1.00 0.00 C ATOM 902 O VAL A 70 -6.977 4.438 8.521 1.00 0.00 O ATOM 903 CB VAL A 70 -5.160 4.204 6.196 1.00 0.00 C ATOM 904 CG1 VAL A 70 -3.981 4.509 5.289 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.763 2.846 5.859 1.00 0.00 C ATOM 0 H VAL A 70 -3.390 2.713 7.324 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.476 5.332 7.896 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.938 4.950 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.296 4.443 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.615 5.515 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.184 3.789 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.052 2.827 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.027 2.064 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.642 2.674 6.480 1.00 0.00 H new ATOM 915 N GLY A 71 -5.636 2.878 9.427 1.00 0.00 N ATOM 916 CA GLY A 71 -6.651 2.427 10.357 1.00 0.00 C ATOM 917 C GLY A 71 -7.414 1.226 9.843 1.00 0.00 C ATOM 918 O GLY A 71 -8.527 0.948 10.292 1.00 0.00 O ATOM 0 H GLY A 71 -4.749 2.378 9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.182 2.176 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.349 3.241 10.551 1.00 0.00 H new ATOM 922 N GLN A 72 -6.824 0.528 8.886 1.00 0.00 N ATOM 923 CA GLN A 72 -7.416 -0.681 8.343 1.00 0.00 C ATOM 924 C GLN A 72 -6.394 -1.814 8.392 1.00 0.00 C ATOM 925 O GLN A 72 -5.614 -1.995 7.460 1.00 0.00 O ATOM 926 CB GLN A 72 -7.864 -0.431 6.900 1.00 0.00 C ATOM 927 CG GLN A 72 -8.553 -1.615 6.243 1.00 0.00 C ATOM 928 CD GLN A 72 -9.925 -1.884 6.820 1.00 0.00 C ATOM 929 OE1 GLN A 72 -10.078 -2.655 7.765 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.931 -1.242 6.251 1.00 0.00 N ATOM 0 H GLN A 72 -5.929 0.782 8.468 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.286 -0.962 8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.542 0.422 6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.993 -0.156 6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.643 -1.430 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.933 -2.503 6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.756 -0.611 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.882 -1.377 6.594 1.00 0.00 H new ATOM 939 N PRO A 73 -6.376 -2.590 9.478 1.00 0.00 N ATOM 940 CA PRO A 73 -5.374 -3.633 9.663 1.00 0.00 C ATOM 941 C PRO A 73 -5.592 -4.825 8.737 1.00 0.00 C ATOM 942 O PRO A 73 -6.463 -5.669 8.964 1.00 0.00 O ATOM 943 CB PRO A 73 -5.533 -4.039 11.125 1.00 0.00 C ATOM 944 CG PRO A 73 -6.937 -3.678 11.479 1.00 0.00 C ATOM 945 CD PRO A 73 -7.315 -2.507 10.609 1.00 0.00 C ATOM 0 HA PRO A 73 -4.372 -3.277 9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.355 -5.106 11.259 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.819 -3.514 11.760 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.608 -4.520 11.308 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.015 -3.417 12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.350 -2.575 10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.214 -1.563 11.144 1.00 0.00 H new ATOM 953 N LYS A 74 -4.810 -4.861 7.675 1.00 0.00 N ATOM 954 CA LYS A 74 -4.834 -5.964 6.735 1.00 0.00 C ATOM 955 C LYS A 74 -3.562 -6.778 6.857 1.00 0.00 C ATOM 956 O LYS A 74 -2.477 -6.224 7.021 1.00 0.00 O ATOM 957 CB LYS A 74 -4.979 -5.454 5.300 1.00 0.00 C ATOM 958 CG LYS A 74 -6.388 -5.017 4.943 1.00 0.00 C ATOM 959 CD LYS A 74 -7.351 -6.189 5.004 1.00 0.00 C ATOM 960 CE LYS A 74 -8.736 -5.803 4.525 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.681 -6.947 4.603 1.00 0.00 N ATOM 0 H LYS A 74 -4.141 -4.127 7.440 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.693 -6.592 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.300 -4.614 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.667 -6.240 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.716 -4.236 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.397 -4.586 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.969 -7.006 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.410 -6.558 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.113 -4.977 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.680 -5.447 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.538 -6.727 4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.229 -7.798 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.937 -7.118 5.596 1.00 0.00 H new ATOM 975 N THR A 75 -3.703 -8.087 6.789 1.00 0.00 N ATOM 976 CA THR A 75 -2.560 -8.973 6.825 1.00 0.00 C ATOM 977 C THR A 75 -1.939 -9.082 5.441 1.00 0.00 C ATOM 978 O THR A 75 -2.560 -8.704 4.442 1.00 0.00 O ATOM 979 CB THR A 75 -2.968 -10.376 7.312 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.074 -10.857 6.536 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.344 -10.349 8.784 1.00 0.00 C ATOM 0 H THR A 75 -4.603 -8.561 6.708 1.00 0.00 H new ATOM 0 HA THR A 75 -1.832 -8.556 7.521 1.00 0.00 H new ATOM 0 HB THR A 75 -2.117 -11.046 7.186 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.329 -11.750 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.629 -11.351 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.491 -10.008 9.371 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.182 -9.668 8.933 1.00 0.00 H new ATOM 989 N LEU A 76 -0.721 -9.594 5.383 1.00 0.00 N ATOM 990 CA LEU A 76 -0.057 -9.826 4.113 1.00 0.00 C ATOM 991 C LEU A 76 -0.848 -10.855 3.316 1.00 0.00 C ATOM 992 O LEU A 76 -0.911 -10.801 2.088 1.00 0.00 O ATOM 993 CB LEU A 76 1.377 -10.305 4.347 1.00 0.00 C ATOM 994 CG LEU A 76 2.222 -10.478 3.085 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.334 -9.162 2.335 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.602 -11.010 3.437 1.00 0.00 C ATOM 0 H LEU A 76 -0.172 -9.857 6.202 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.013 -8.896 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.877 -9.594 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.343 -11.258 4.875 1.00 0.00 H new ATOM 0 HG LEU A 76 1.729 -11.202 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.939 -9.304 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.339 -8.820 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.804 -8.417 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.190 -11.127 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.103 -10.309 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.504 -11.976 3.932 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.464 -11.780 4.044 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.339 -12.786 3.457 1.00 0.00 C ATOM 1010 C ASN A 77 -3.499 -12.123 2.729 1.00 0.00 C ATOM 1011 O ASN A 77 -3.822 -12.486 1.599 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.878 -13.709 4.551 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.727 -14.839 3.997 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.951 -14.723 3.887 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -3.083 -15.938 3.644 1.00 0.00 N ATOM 0 H ASN A 77 -1.370 -11.853 5.057 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.763 -13.372 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.042 -14.129 5.111 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.472 -13.125 5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.599 -16.732 3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.070 -15.992 3.751 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.105 -11.136 3.380 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.210 -10.390 2.789 1.00 0.00 C ATOM 1024 C GLU A 78 -4.792 -9.727 1.488 1.00 0.00 C ATOM 1025 O GLU A 78 -5.496 -9.820 0.489 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.725 -9.324 3.756 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.670 -9.863 4.813 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.976 -10.349 4.224 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.173 -11.579 4.131 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.816 -9.501 3.852 1.00 0.00 O ATOM 0 H GLU A 78 -3.849 -10.833 4.320 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.008 -11.103 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.875 -8.852 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.236 -8.547 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.187 -10.683 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.873 -9.083 5.547 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.643 -9.070 1.503 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.169 -8.350 0.331 1.00 0.00 C ATOM 1039 C ILE A 79 -2.952 -9.306 -0.842 1.00 0.00 C ATOM 1040 O ILE A 79 -3.380 -9.028 -1.961 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.869 -7.574 0.627 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.052 -6.668 1.851 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.452 -6.748 -0.580 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.211 -5.696 1.734 1.00 0.00 C ATOM 0 H ILE A 79 -3.023 -9.020 2.311 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.940 -7.628 0.062 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.081 -8.296 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.202 -7.292 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.133 -6.104 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.533 -6.208 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.283 -7.407 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.240 -6.036 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.272 -5.092 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.055 -5.045 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.140 -6.251 1.604 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.314 -10.442 -0.575 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.099 -11.456 -1.606 1.00 0.00 C ATOM 1058 C LYS A 80 -3.431 -12.020 -2.085 1.00 0.00 C ATOM 1059 O LYS A 80 -3.625 -12.263 -3.276 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.220 -12.588 -1.077 1.00 0.00 C ATOM 1061 CG LYS A 80 0.167 -12.136 -0.668 1.00 0.00 C ATOM 1062 CD LYS A 80 1.057 -13.317 -0.318 1.00 0.00 C ATOM 1063 CE LYS A 80 2.461 -12.866 0.046 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.351 -14.013 0.355 1.00 0.00 N ATOM 0 H LYS A 80 -1.938 -10.684 0.342 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.591 -10.981 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.711 -13.048 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.131 -13.357 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.619 -11.566 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.095 -11.467 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.622 -13.867 0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.102 -14.004 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.883 -12.292 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.416 -12.200 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.299 -13.661 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.963 -14.547 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.415 -14.636 -0.475 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.336 -12.212 -1.138 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.684 -12.700 -1.417 1.00 0.00 C ATOM 1080 C ARG A 81 -6.423 -11.751 -2.358 1.00 0.00 C ATOM 1081 O ARG A 81 -7.000 -12.171 -3.360 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.453 -12.831 -0.099 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.940 -13.093 -0.261 1.00 0.00 C ATOM 1084 CD ARG A 81 -8.641 -13.078 1.085 1.00 0.00 C ATOM 1085 NE ARG A 81 -10.087 -13.230 0.952 1.00 0.00 N ATOM 1086 CZ ARG A 81 -10.967 -12.835 1.873 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -10.560 -12.242 2.991 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -12.263 -13.027 1.669 1.00 0.00 N ATOM 0 H ARG A 81 -4.159 -12.034 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.614 -13.673 -1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.015 -13.642 0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.319 -11.916 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.378 -12.337 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.093 -14.058 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.248 -13.882 1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.421 -12.142 1.598 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.446 -13.665 0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.565 -12.085 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.243 -11.944 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.583 -13.475 0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.940 -12.727 2.371 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.381 -10.468 -2.035 1.00 0.00 N ATOM 1103 CA ILE A 82 -7.060 -9.453 -2.823 1.00 0.00 C ATOM 1104 C ILE A 82 -6.375 -9.268 -4.178 1.00 0.00 C ATOM 1105 O ILE A 82 -7.033 -9.006 -5.189 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.108 -8.112 -2.055 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.824 -8.308 -0.713 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.810 -7.043 -2.881 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.654 -7.155 0.256 1.00 0.00 C ATOM 0 H ILE A 82 -5.879 -10.103 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.082 -9.788 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.087 -7.779 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.887 -8.457 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.452 -9.219 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.833 -6.108 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.271 -6.894 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.830 -7.361 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.191 -7.373 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.595 -7.018 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.053 -6.244 -0.189 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.056 -9.433 -4.204 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.286 -9.309 -5.441 1.00 0.00 C ATOM 1123 C LEU A 83 -4.313 -10.601 -6.251 1.00 0.00 C ATOM 1124 O LEU A 83 -3.682 -10.697 -7.305 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.839 -8.920 -5.138 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.642 -7.490 -4.640 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.182 -7.243 -4.302 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.122 -6.497 -5.687 1.00 0.00 C ATOM 0 H LEU A 83 -4.495 -9.654 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.752 -8.524 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.444 -9.606 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.245 -9.058 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.233 -7.352 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.058 -6.219 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.867 -7.937 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.572 -7.396 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.976 -5.481 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.554 -6.635 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.181 -6.662 -5.886 1.00 0.00 H new ATOM 1140 N SER A 84 -5.030 -11.593 -5.751 1.00 0.00 N ATOM 1141 CA SER A 84 -5.203 -12.839 -6.467 1.00 0.00 C ATOM 1142 C SER A 84 -6.414 -12.727 -7.386 1.00 0.00 C ATOM 1143 O SER A 84 -7.544 -12.991 -6.921 1.00 0.00 O ATOM 1144 CB SER A 84 -5.370 -14.002 -5.480 1.00 0.00 C ATOM 1145 OG SER A 84 -5.411 -15.253 -6.149 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.235 -12.341 -8.560 1.00 0.00 O ATOM 0 H SER A 84 -5.502 -11.556 -4.848 1.00 0.00 H new ATOM 0 HA SER A 84 -4.318 -13.038 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.545 -13.997 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.287 -13.865 -4.907 1.00 0.00 H new ATOM 0 HG SER A 84 -5.516 -15.972 -5.492 1.00 0.00 H new TER 1152 SER A 84