USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 737 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 98 ASN : amide:sc= -4.72! C(o=-6.7!,f=-7.5!) USER MOD Set 1.2: A 116 SER OG : rot 140:sc= -1.93! USER MOD Set 2.1: A 94 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.67) USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc=-0.00969 USER MOD Set 3.1: A 46 HIS : no HD1:sc= -3.61 K(o=-6.5,f=-3) USER MOD Set 3.2: A 61 ASN : amide:sc= -2.88! C(o=-6.5!,f=-6.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.22 K(o=-2.2,f=-6.1!) USER MOD Single : A 30 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-0.86) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot 180:sc= -3.92! USER MOD Single : A 43 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.66! USER MOD Single : A 49 THR OG1 : rot -165:sc= -1.18 USER MOD Single : A 52 ASN : amide:sc= 0.0143 X(o=0.014,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.795! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.504 K(o=0.5,f=-3.1!) USER MOD Single : A 69 THR OG1 : rot 150:sc= 0.289 USER MOD Single : A 73 GLN : amide:sc= -3.61! C(o=-3.6!,f=-2!) USER MOD Single : A 74 SER OG : rot 138:sc= 0.971 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -69:sc= 1.26 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.219 USER MOD Single : A 114 ASN : amide:sc= -0.769 K(o=-0.77,f=-4.5!) USER MOD Single : A 115 TYR OH : rot 104:sc= 0.523 USER MOD Single : A 117 HIS : no HD1:sc= -2.66! K(o=-2.7!,f=-1.2) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.6) USER MOD Single : A 128 LYS NZ :NH3+ -164:sc= -0.115 (180deg=-0.589) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.13) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -32.900 -2.083 28.325 1.00 0.00 N ATOM 2 CA GLY A 15 -31.466 -2.187 28.119 1.00 0.00 C ATOM 3 C GLY A 15 -30.699 -1.767 29.374 1.00 0.00 C ATOM 4 O GLY A 15 -31.296 -1.296 30.342 1.00 0.00 O ATOM 0 HA2 GLY A 15 -31.206 -3.212 27.856 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -31.169 -1.558 27.280 1.00 0.00 H new ATOM 8 N SER A 16 -29.388 -1.952 29.319 1.00 0.00 N ATOM 9 CA SER A 16 -28.534 -1.598 30.439 1.00 0.00 C ATOM 10 C SER A 16 -27.216 -1.014 29.929 1.00 0.00 C ATOM 11 O SER A 16 -26.924 -1.079 28.735 1.00 0.00 O ATOM 12 CB SER A 16 -28.266 -2.811 31.333 1.00 0.00 C ATOM 13 OG SER A 16 -27.560 -3.837 30.642 1.00 0.00 O ATOM 0 H SER A 16 -28.897 -2.343 28.515 1.00 0.00 H new ATOM 0 HA SER A 16 -29.050 -0.846 31.037 1.00 0.00 H new ATOM 0 HB2 SER A 16 -27.691 -2.499 32.205 1.00 0.00 H new ATOM 0 HB3 SER A 16 -29.213 -3.207 31.701 1.00 0.00 H new ATOM 0 HG SER A 16 -27.407 -4.593 31.247 1.00 0.00 H new ATOM 18 N GLY A 17 -26.454 -0.455 30.857 1.00 0.00 N ATOM 19 CA GLY A 17 -25.173 0.140 30.516 1.00 0.00 C ATOM 20 C GLY A 17 -24.147 -0.936 30.153 1.00 0.00 C ATOM 21 O GLY A 17 -24.187 -2.043 30.689 1.00 0.00 O ATOM 0 H GLY A 17 -26.699 -0.401 31.846 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.298 0.826 29.678 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.806 0.728 31.357 1.00 0.00 H new ATOM 25 N MET A 18 -23.253 -0.574 29.246 1.00 0.00 N ATOM 26 CA MET A 18 -22.219 -1.495 28.805 1.00 0.00 C ATOM 27 C MET A 18 -20.831 -0.862 28.932 1.00 0.00 C ATOM 28 O MET A 18 -20.627 0.281 28.527 1.00 0.00 O ATOM 29 CB MET A 18 -22.470 -1.887 27.347 1.00 0.00 C ATOM 30 CG MET A 18 -22.777 -3.381 27.227 1.00 0.00 C ATOM 31 SD MET A 18 -24.387 -3.616 26.493 1.00 0.00 S ATOM 32 CE MET A 18 -24.008 -3.246 24.788 1.00 0.00 C ATOM 0 H MET A 18 -23.223 0.345 28.804 1.00 0.00 H new ATOM 0 HA MET A 18 -22.254 -2.381 29.439 1.00 0.00 H new ATOM 0 HB2 MET A 18 -23.303 -1.308 26.949 1.00 0.00 H new ATOM 0 HB3 MET A 18 -21.595 -1.642 26.745 1.00 0.00 H new ATOM 0 HG2 MET A 18 -22.016 -3.869 26.618 1.00 0.00 H new ATOM 0 HG3 MET A 18 -22.745 -3.847 28.212 1.00 0.00 H new ATOM 0 HE1 MET A 18 -24.910 -3.346 24.185 1.00 0.00 H new ATOM 0 HE2 MET A 18 -23.631 -2.226 24.712 1.00 0.00 H new ATOM 0 HE3 MET A 18 -23.250 -3.940 24.425 1.00 0.00 H new ATOM 40 N LYS A 19 -19.913 -1.634 29.494 1.00 0.00 N ATOM 41 CA LYS A 19 -18.551 -1.163 29.679 1.00 0.00 C ATOM 42 C LYS A 19 -17.582 -2.145 29.015 1.00 0.00 C ATOM 43 O LYS A 19 -17.472 -3.295 29.438 1.00 0.00 O ATOM 44 CB LYS A 19 -18.263 -0.924 31.162 1.00 0.00 C ATOM 45 CG LYS A 19 -18.884 0.391 31.636 1.00 0.00 C ATOM 46 CD LYS A 19 -17.907 1.176 32.512 1.00 0.00 C ATOM 47 CE LYS A 19 -18.575 1.629 33.811 1.00 0.00 C ATOM 48 NZ LYS A 19 -17.559 2.083 34.787 1.00 0.00 N ATOM 0 H LYS A 19 -20.085 -2.582 29.827 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.412 -0.198 29.192 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.660 -1.751 31.751 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.186 -0.902 31.328 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.169 0.994 30.774 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.796 0.185 32.197 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.041 0.556 32.742 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.541 2.045 31.965 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.275 2.438 33.603 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.153 0.808 34.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.030 2.387 35.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.907 1.301 34.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.025 2.881 34.387 1.00 0.00 H new ATOM 58 N GLU A 20 -16.905 -1.654 27.987 1.00 0.00 N ATOM 59 CA GLU A 20 -15.950 -2.474 27.261 1.00 0.00 C ATOM 60 C GLU A 20 -14.755 -1.628 26.817 1.00 0.00 C ATOM 61 O GLU A 20 -14.907 -0.447 26.506 1.00 0.00 O ATOM 62 CB GLU A 20 -16.613 -3.158 26.064 1.00 0.00 C ATOM 63 CG GLU A 20 -16.900 -4.630 26.365 1.00 0.00 C ATOM 64 CD GLU A 20 -18.249 -5.056 25.781 1.00 0.00 C ATOM 65 OE1 GLU A 20 -18.486 -4.724 24.599 1.00 0.00 O ATOM 66 OE2 GLU A 20 -19.013 -5.703 26.530 1.00 0.00 O ATOM 0 H GLU A 20 -16.999 -0.699 27.640 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.589 -3.256 27.929 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.543 -2.646 25.817 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.965 -3.081 25.191 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.107 -5.251 25.949 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.899 -4.791 27.443 1.00 0.00 H new ATOM 71 N THR A 21 -13.593 -2.264 26.802 1.00 0.00 N ATOM 72 CA THR A 21 -12.372 -1.585 26.401 1.00 0.00 C ATOM 73 C THR A 21 -11.243 -2.596 26.190 1.00 0.00 C ATOM 74 O THR A 21 -11.065 -3.510 26.994 1.00 0.00 O ATOM 75 CB THR A 21 -12.051 -0.527 27.458 1.00 0.00 C ATOM 76 OG1 THR A 21 -10.894 0.132 26.949 1.00 0.00 O ATOM 77 CG2 THR A 21 -11.578 -1.143 28.777 1.00 0.00 C ATOM 0 H THR A 21 -13.471 -3.243 27.061 1.00 0.00 H new ATOM 0 HA THR A 21 -12.496 -1.081 25.443 1.00 0.00 H new ATOM 0 HB THR A 21 -12.934 0.086 27.639 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.618 0.836 27.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.363 -0.350 29.493 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.358 -1.791 29.176 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.675 -1.728 28.602 1.00 0.00 H new ATOM 85 N ALA A 22 -10.512 -2.400 25.104 1.00 0.00 N ATOM 86 CA ALA A 22 -9.404 -3.283 24.777 1.00 0.00 C ATOM 87 C ALA A 22 -8.389 -2.525 23.919 1.00 0.00 C ATOM 88 O ALA A 22 -8.614 -1.370 23.560 1.00 0.00 O ATOM 89 CB ALA A 22 -9.940 -4.535 24.080 1.00 0.00 C ATOM 0 H ALA A 22 -10.664 -1.643 24.438 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.891 -3.608 25.682 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.110 -5.198 23.834 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.633 -5.052 24.743 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.459 -4.248 23.165 1.00 0.00 H new ATOM 95 N ALA A 23 -7.294 -3.207 23.614 1.00 0.00 N ATOM 96 CA ALA A 23 -6.244 -2.613 22.805 1.00 0.00 C ATOM 97 C ALA A 23 -5.631 -1.432 23.560 1.00 0.00 C ATOM 98 O ALA A 23 -6.351 -0.578 24.076 1.00 0.00 O ATOM 99 CB ALA A 23 -6.817 -2.203 21.447 1.00 0.00 C ATOM 0 H ALA A 23 -7.112 -4.165 23.913 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.448 -3.334 22.619 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.029 -1.757 20.839 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.213 -3.082 20.939 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.617 -1.477 21.594 1.00 0.00 H new ATOM 105 N ALA A 24 -4.306 -1.420 23.601 1.00 0.00 N ATOM 106 CA ALA A 24 -3.589 -0.359 24.284 1.00 0.00 C ATOM 107 C ALA A 24 -2.083 -0.563 24.096 1.00 0.00 C ATOM 108 O ALA A 24 -1.434 -1.207 24.918 1.00 0.00 O ATOM 109 CB ALA A 24 -3.993 -0.335 25.760 1.00 0.00 C ATOM 0 H ALA A 24 -3.711 -2.129 23.172 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.847 0.611 23.860 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.454 0.462 26.272 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.065 -0.158 25.841 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.748 -1.292 26.220 1.00 0.00 H new ATOM 115 N LYS A 25 -1.574 -0.003 23.008 1.00 0.00 N ATOM 116 CA LYS A 25 -0.158 -0.117 22.702 1.00 0.00 C ATOM 117 C LYS A 25 0.175 -1.576 22.385 1.00 0.00 C ATOM 118 O LYS A 25 0.342 -2.389 23.293 1.00 0.00 O ATOM 119 CB LYS A 25 0.684 0.475 23.834 1.00 0.00 C ATOM 120 CG LYS A 25 1.537 1.641 23.330 1.00 0.00 C ATOM 121 CD LYS A 25 2.875 1.143 22.779 1.00 0.00 C ATOM 122 CE LYS A 25 3.940 1.100 23.877 1.00 0.00 C ATOM 123 NZ LYS A 25 4.582 2.425 24.026 1.00 0.00 N ATOM 0 H LYS A 25 -2.116 0.530 22.328 1.00 0.00 H new ATOM 0 HA LYS A 25 0.088 0.466 21.815 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.031 0.818 24.637 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.329 -0.297 24.255 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.998 2.181 22.552 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.714 2.345 24.143 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.748 0.148 22.351 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.206 1.797 21.972 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.486 0.801 24.822 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.692 0.350 23.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.302 2.380 24.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.032 2.695 23.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.863 3.132 24.280 1.00 0.00 H new ATOM 133 N PHE A 26 0.263 -1.863 21.095 1.00 0.00 N ATOM 134 CA PHE A 26 0.574 -3.210 20.648 1.00 0.00 C ATOM 135 C PHE A 26 1.092 -3.204 19.208 1.00 0.00 C ATOM 136 O PHE A 26 1.058 -2.174 18.536 1.00 0.00 O ATOM 137 CB PHE A 26 -0.728 -4.012 20.704 1.00 0.00 C ATOM 138 CG PHE A 26 -0.842 -4.928 21.924 1.00 0.00 C ATOM 139 CD1 PHE A 26 -0.240 -6.147 21.918 1.00 0.00 C ATOM 140 CD2 PHE A 26 -1.546 -4.523 23.016 1.00 0.00 C ATOM 141 CE1 PHE A 26 -0.345 -6.997 23.051 1.00 0.00 C ATOM 142 CE2 PHE A 26 -1.652 -5.373 24.148 1.00 0.00 C ATOM 143 CZ PHE A 26 -1.049 -6.592 24.142 1.00 0.00 C ATOM 0 H PHE A 26 0.124 -1.186 20.345 1.00 0.00 H new ATOM 0 HA PHE A 26 1.347 -3.643 21.283 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.570 -3.319 20.702 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.810 -4.616 19.800 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.318 -6.469 21.051 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.024 -3.555 23.021 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.134 -7.965 23.046 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.212 -5.052 25.014 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.129 -7.238 25.003 1.00 0.00 H new ATOM 152 N GLU A 27 1.561 -4.365 18.777 1.00 0.00 N ATOM 153 CA GLU A 27 2.086 -4.506 17.429 1.00 0.00 C ATOM 154 C GLU A 27 1.024 -4.114 16.402 1.00 0.00 C ATOM 155 O GLU A 27 0.779 -2.929 16.176 1.00 0.00 O ATOM 156 CB GLU A 27 2.588 -5.930 17.183 1.00 0.00 C ATOM 157 CG GLU A 27 3.876 -6.201 17.963 1.00 0.00 C ATOM 158 CD GLU A 27 5.105 -6.046 17.065 1.00 0.00 C ATOM 159 OE1 GLU A 27 4.990 -6.420 15.878 1.00 0.00 O ATOM 160 OE2 GLU A 27 6.130 -5.559 17.586 1.00 0.00 O ATOM 0 H GLU A 27 1.589 -5.217 19.337 1.00 0.00 H new ATOM 0 HA GLU A 27 2.936 -3.832 17.318 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.822 -6.646 17.480 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.766 -6.077 16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.947 -5.512 18.805 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.849 -7.209 18.377 1.00 0.00 H new ATOM 165 N ARG A 28 0.418 -5.130 15.805 1.00 0.00 N ATOM 166 CA ARG A 28 -0.613 -4.907 14.806 1.00 0.00 C ATOM 167 C ARG A 28 -1.866 -5.717 15.146 1.00 0.00 C ATOM 168 O ARG A 28 -2.300 -6.555 14.358 1.00 0.00 O ATOM 169 CB ARG A 28 -0.123 -5.300 13.411 1.00 0.00 C ATOM 170 CG ARG A 28 0.180 -6.797 13.338 1.00 0.00 C ATOM 171 CD ARG A 28 1.681 -7.044 13.169 1.00 0.00 C ATOM 172 NE ARG A 28 1.906 -8.317 12.447 1.00 0.00 N ATOM 173 CZ ARG A 28 3.117 -8.803 12.141 1.00 0.00 C ATOM 174 NH1 ARG A 28 4.219 -8.126 12.490 1.00 0.00 N ATOM 175 NH2 ARG A 28 3.225 -9.966 11.485 1.00 0.00 N ATOM 0 H ARG A 28 0.622 -6.111 15.995 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.852 -3.844 14.808 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.879 -5.042 12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.773 -4.731 13.163 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.173 -7.288 14.245 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.362 -7.241 12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.134 -6.219 12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.164 -7.080 14.145 1.00 0.00 H new ATOM 0 HE ARG A 28 1.088 -8.858 12.165 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.137 -7.240 12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.140 -8.496 12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.386 -10.481 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.146 -10.336 11.252 1.00 0.00 H new ATOM 186 N GLN A 29 -2.412 -5.438 16.321 1.00 0.00 N ATOM 187 CA GLN A 29 -3.606 -6.131 16.775 1.00 0.00 C ATOM 188 C GLN A 29 -4.774 -5.851 15.827 1.00 0.00 C ATOM 189 O GLN A 29 -5.253 -6.754 15.144 1.00 0.00 O ATOM 190 CB GLN A 29 -3.957 -5.735 18.210 1.00 0.00 C ATOM 191 CG GLN A 29 -4.836 -6.797 18.873 1.00 0.00 C ATOM 192 CD GLN A 29 -6.275 -6.717 18.359 1.00 0.00 C ATOM 193 OE1 GLN A 29 -6.784 -5.659 18.027 1.00 0.00 O ATOM 194 NE2 GLN A 29 -6.899 -7.890 18.314 1.00 0.00 N ATOM 0 H GLN A 29 -2.049 -4.742 16.972 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.406 -7.203 16.768 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.043 -5.602 18.788 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.476 -4.777 18.210 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.429 -7.788 18.672 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.824 -6.661 19.954 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.413 -8.738 18.607 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.864 -7.942 17.986 1.00 0.00 H new ATOM 201 N HIS A 30 -5.198 -4.596 15.816 1.00 0.00 N ATOM 202 CA HIS A 30 -6.301 -4.186 14.964 1.00 0.00 C ATOM 203 C HIS A 30 -6.312 -2.662 14.837 1.00 0.00 C ATOM 204 O HIS A 30 -6.938 -1.973 15.641 1.00 0.00 O ATOM 205 CB HIS A 30 -7.626 -4.748 15.482 1.00 0.00 C ATOM 206 CG HIS A 30 -8.801 -4.494 14.567 1.00 0.00 C ATOM 207 ND1 HIS A 30 -10.072 -4.973 14.829 1.00 0.00 N ATOM 208 CD2 HIS A 30 -8.883 -3.805 13.392 1.00 0.00 C ATOM 209 CE1 HIS A 30 -10.875 -4.586 13.849 1.00 0.00 C ATOM 210 NE2 HIS A 30 -10.136 -3.863 12.959 1.00 0.00 N ATOM 0 H HIS A 30 -4.797 -3.849 16.384 1.00 0.00 H new ATOM 0 HA HIS A 30 -6.165 -4.598 13.964 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.520 -5.823 15.630 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.837 -4.311 16.458 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.067 -3.299 12.898 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.930 -4.805 13.769 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.489 -3.437 12.102 1.00 0.00 H new ATOM 217 N MET A 31 -5.613 -2.180 13.820 1.00 0.00 N ATOM 218 CA MET A 31 -5.535 -0.749 13.577 1.00 0.00 C ATOM 219 C MET A 31 -5.759 0.040 14.870 1.00 0.00 C ATOM 220 O MET A 31 -6.893 0.373 15.208 1.00 0.00 O ATOM 221 CB MET A 31 -6.590 -0.347 12.544 1.00 0.00 C ATOM 222 CG MET A 31 -8.002 -0.574 13.087 1.00 0.00 C ATOM 223 SD MET A 31 -9.109 -0.999 11.753 1.00 0.00 S ATOM 224 CE MET A 31 -10.597 -0.190 12.315 1.00 0.00 C ATOM 0 H MET A 31 -5.096 -2.755 13.155 1.00 0.00 H new ATOM 0 HA MET A 31 -4.539 -0.518 13.200 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.463 0.702 12.278 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.450 -0.926 11.631 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.991 -1.372 13.829 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.355 0.325 13.591 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.396 -0.356 11.593 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.891 -0.599 13.282 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.414 0.880 12.415 1.00 0.00 H new ATOM 232 N ASP A 32 -4.659 0.314 15.555 1.00 0.00 N ATOM 233 CA ASP A 32 -4.722 1.057 16.802 1.00 0.00 C ATOM 234 C ASP A 32 -4.731 2.557 16.499 1.00 0.00 C ATOM 235 O ASP A 32 -4.085 3.006 15.552 1.00 0.00 O ATOM 236 CB ASP A 32 -3.505 0.760 17.682 1.00 0.00 C ATOM 237 CG ASP A 32 -3.236 -0.724 17.935 1.00 0.00 C ATOM 238 OD1 ASP A 32 -4.078 -1.344 18.622 1.00 0.00 O ATOM 239 OD2 ASP A 32 -2.197 -1.206 17.437 1.00 0.00 O ATOM 0 H ASP A 32 -3.720 0.035 15.271 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.629 0.757 17.327 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.623 1.199 17.216 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.640 1.258 18.642 1.00 0.00 H new ATOM 243 N SER A 33 -5.469 3.290 17.318 1.00 0.00 N ATOM 244 CA SER A 33 -5.571 4.730 17.148 1.00 0.00 C ATOM 245 C SER A 33 -6.258 5.053 15.820 1.00 0.00 C ATOM 246 O SER A 33 -6.322 4.208 14.929 1.00 0.00 O ATOM 247 CB SER A 33 -4.192 5.390 17.207 1.00 0.00 C ATOM 248 OG SER A 33 -3.916 5.936 18.493 1.00 0.00 O ATOM 0 H SER A 33 -6.003 2.914 18.102 1.00 0.00 H new ATOM 0 HA SER A 33 -6.171 5.130 17.966 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.428 4.656 16.953 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.136 6.180 16.458 1.00 0.00 H new ATOM 0 HG SER A 33 -3.026 6.347 18.490 1.00 0.00 H new ATOM 253 N PRO A 34 -6.768 6.310 15.727 1.00 0.00 N ATOM 254 CA PRO A 34 -7.447 6.756 14.523 1.00 0.00 C ATOM 255 C PRO A 34 -6.446 7.041 13.402 1.00 0.00 C ATOM 256 O PRO A 34 -5.302 6.593 13.457 1.00 0.00 O ATOM 257 CB PRO A 34 -8.232 7.986 14.946 1.00 0.00 C ATOM 258 CG PRO A 34 -7.602 8.456 16.248 1.00 0.00 C ATOM 259 CD PRO A 34 -6.710 7.338 16.763 1.00 0.00 C ATOM 0 HA PRO A 34 -8.113 5.998 14.111 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.180 8.764 14.184 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.286 7.747 15.086 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.021 9.364 16.085 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.373 8.698 16.980 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.689 7.686 16.919 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.066 6.956 17.720 1.00 0.00 H new ATOM 264 N ASP A 35 -6.913 7.787 12.411 1.00 0.00 N ATOM 265 CA ASP A 35 -6.072 8.138 11.278 1.00 0.00 C ATOM 266 C ASP A 35 -5.376 9.471 11.561 1.00 0.00 C ATOM 267 O ASP A 35 -6.013 10.431 11.990 1.00 0.00 O ATOM 268 CB ASP A 35 -6.904 8.300 10.005 1.00 0.00 C ATOM 269 CG ASP A 35 -8.271 8.957 10.204 1.00 0.00 C ATOM 270 OD1 ASP A 35 -8.279 10.145 10.590 1.00 0.00 O ATOM 271 OD2 ASP A 35 -9.278 8.256 9.966 1.00 0.00 O ATOM 0 H ASP A 35 -7.862 8.158 12.369 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.346 7.338 11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.334 8.893 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.052 7.317 9.558 1.00 0.00 H new ATOM 275 N LEU A 36 -4.075 9.487 11.306 1.00 0.00 N ATOM 276 CA LEU A 36 -3.285 10.686 11.526 1.00 0.00 C ATOM 277 C LEU A 36 -3.151 11.454 10.210 1.00 0.00 C ATOM 278 O LEU A 36 -3.879 12.416 9.972 1.00 0.00 O ATOM 279 CB LEU A 36 -1.942 10.332 12.170 1.00 0.00 C ATOM 280 CG LEU A 36 -1.678 10.942 13.548 1.00 0.00 C ATOM 281 CD1 LEU A 36 -1.774 9.881 14.645 1.00 0.00 C ATOM 282 CD2 LEU A 36 -0.335 11.674 13.575 1.00 0.00 C ATOM 0 H LEU A 36 -3.549 8.689 10.949 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.787 11.348 12.231 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.878 9.247 12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.145 10.646 11.497 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.453 11.682 13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.582 10.341 15.614 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.773 9.444 14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.036 9.100 14.462 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.172 12.098 14.566 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.467 10.972 13.344 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.342 12.474 12.834 1.00 0.00 H new ATOM 293 N GLY A 37 -2.216 10.999 9.389 1.00 0.00 N ATOM 294 CA GLY A 37 -1.978 11.630 8.102 1.00 0.00 C ATOM 295 C GLY A 37 -1.401 13.036 8.280 1.00 0.00 C ATOM 296 O GLY A 37 -1.787 13.758 9.198 1.00 0.00 O ATOM 0 H GLY A 37 -1.614 10.201 9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.289 11.022 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.911 11.684 7.541 1.00 0.00 H new ATOM 300 N THR A 38 -0.485 13.383 7.388 1.00 0.00 N ATOM 301 CA THR A 38 0.149 14.689 7.434 1.00 0.00 C ATOM 302 C THR A 38 -0.659 15.703 6.623 1.00 0.00 C ATOM 303 O THR A 38 -0.120 16.715 6.175 1.00 0.00 O ATOM 304 CB THR A 38 1.592 14.532 6.947 1.00 0.00 C ATOM 305 OG1 THR A 38 2.133 15.847 7.034 1.00 0.00 O ATOM 306 CG2 THR A 38 1.673 14.193 5.458 1.00 0.00 C ATOM 0 H THR A 38 -0.167 12.781 6.628 1.00 0.00 H new ATOM 0 HA THR A 38 0.175 15.080 8.451 1.00 0.00 H new ATOM 0 HB THR A 38 2.087 13.751 7.524 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.612 16.453 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.718 14.093 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.151 13.255 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.208 14.990 4.878 1.00 0.00 H new ATOM 314 N THR A 39 -1.936 15.398 6.459 1.00 0.00 N ATOM 315 CA THR A 39 -2.824 16.271 5.709 1.00 0.00 C ATOM 316 C THR A 39 -4.228 16.252 6.316 1.00 0.00 C ATOM 317 O THR A 39 -4.382 16.236 7.536 1.00 0.00 O ATOM 318 CB THR A 39 -2.791 15.834 4.244 1.00 0.00 C ATOM 319 OG1 THR A 39 -3.618 16.784 3.578 1.00 0.00 O ATOM 320 CG2 THR A 39 -3.499 14.497 4.014 1.00 0.00 C ATOM 0 H THR A 39 -2.379 14.558 6.832 1.00 0.00 H new ATOM 0 HA THR A 39 -2.495 17.309 5.761 1.00 0.00 H new ATOM 0 HB THR A 39 -1.755 15.757 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.651 16.575 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.446 14.234 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.013 13.721 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.543 14.582 4.315 1.00 0.00 H new ATOM 328 N LEU A 40 -5.219 16.253 5.436 1.00 0.00 N ATOM 329 CA LEU A 40 -6.606 16.236 5.870 1.00 0.00 C ATOM 330 C LEU A 40 -7.088 14.788 5.963 1.00 0.00 C ATOM 331 O LEU A 40 -7.340 14.283 7.056 1.00 0.00 O ATOM 332 CB LEU A 40 -7.463 17.113 4.955 1.00 0.00 C ATOM 333 CG LEU A 40 -6.962 17.277 3.519 1.00 0.00 C ATOM 334 CD1 LEU A 40 -8.111 17.632 2.574 1.00 0.00 C ATOM 335 CD2 LEU A 40 -5.825 18.298 3.449 1.00 0.00 C ATOM 0 H LEU A 40 -5.089 16.265 4.424 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.700 16.668 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.469 16.694 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.544 18.102 5.405 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.557 16.321 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.727 17.743 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.858 16.838 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.568 18.569 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.487 18.396 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.181 19.264 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.996 17.963 4.072 1.00 0.00 H new ATOM 346 N LEU A 41 -7.204 14.160 4.802 1.00 0.00 N ATOM 347 CA LEU A 41 -7.652 12.779 4.740 1.00 0.00 C ATOM 348 C LEU A 41 -7.200 12.160 3.415 1.00 0.00 C ATOM 349 O LEU A 41 -8.005 11.576 2.691 1.00 0.00 O ATOM 350 CB LEU A 41 -9.161 12.695 4.974 1.00 0.00 C ATOM 351 CG LEU A 41 -10.044 13.345 3.906 1.00 0.00 C ATOM 352 CD1 LEU A 41 -10.855 12.291 3.149 1.00 0.00 C ATOM 353 CD2 LEU A 41 -10.937 14.427 4.517 1.00 0.00 C ATOM 0 H LEU A 41 -6.996 14.582 3.897 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.195 12.194 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.438 11.644 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.386 13.159 5.934 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.396 13.835 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.474 12.779 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.177 11.590 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.493 11.751 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.554 14.873 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.579 13.982 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.315 15.198 4.972 1.00 0.00 H new ATOM 364 N GLU A 42 -5.913 12.309 3.138 1.00 0.00 N ATOM 365 CA GLU A 42 -5.344 11.772 1.914 1.00 0.00 C ATOM 366 C GLU A 42 -5.976 12.446 0.695 1.00 0.00 C ATOM 367 O GLU A 42 -5.891 11.929 -0.418 1.00 0.00 O ATOM 368 CB GLU A 42 -5.514 10.252 1.850 1.00 0.00 C ATOM 369 CG GLU A 42 -4.158 9.546 1.901 1.00 0.00 C ATOM 370 CD GLU A 42 -3.573 9.584 3.314 1.00 0.00 C ATOM 371 OE1 GLU A 42 -4.353 9.340 4.260 1.00 0.00 O ATOM 372 OE2 GLU A 42 -2.358 9.859 3.418 1.00 0.00 O ATOM 0 H GLU A 42 -5.248 12.794 3.740 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.275 11.985 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.134 9.917 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.036 9.979 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.270 8.511 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.469 10.024 1.205 1.00 0.00 H new ATOM 377 N GLN A 43 -6.596 13.590 0.946 1.00 0.00 N ATOM 378 CA GLN A 43 -7.242 14.340 -0.118 1.00 0.00 C ATOM 379 C GLN A 43 -8.145 13.421 -0.943 1.00 0.00 C ATOM 380 O GLN A 43 -8.267 12.234 -0.645 1.00 0.00 O ATOM 381 CB GLN A 43 -6.207 15.033 -1.007 1.00 0.00 C ATOM 382 CG GLN A 43 -5.524 16.182 -0.261 1.00 0.00 C ATOM 383 CD GLN A 43 -5.850 17.528 -0.910 1.00 0.00 C ATOM 384 OE1 GLN A 43 -4.977 18.294 -1.283 1.00 0.00 O ATOM 385 NE2 GLN A 43 -7.153 17.772 -1.024 1.00 0.00 N ATOM 0 H GLN A 43 -6.665 14.016 1.870 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.861 15.115 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -5.459 14.310 -1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.692 15.415 -1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -5.848 16.188 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.445 16.028 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.831 17.087 -0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.474 18.644 -1.445 1.00 0.00 H new ATOM 392 N TYR A 44 -8.756 14.005 -1.963 1.00 0.00 N ATOM 393 CA TYR A 44 -9.645 13.253 -2.833 1.00 0.00 C ATOM 394 C TYR A 44 -8.883 12.160 -3.582 1.00 0.00 C ATOM 395 O TYR A 44 -8.586 12.305 -4.768 1.00 0.00 O ATOM 396 CB TYR A 44 -10.195 14.261 -3.845 1.00 0.00 C ATOM 397 CG TYR A 44 -11.433 15.018 -3.359 1.00 0.00 C ATOM 398 CD1 TYR A 44 -11.386 15.730 -2.178 1.00 0.00 C ATOM 399 CD2 TYR A 44 -12.595 14.989 -4.102 1.00 0.00 C ATOM 400 CE1 TYR A 44 -12.551 16.443 -1.721 1.00 0.00 C ATOM 401 CE2 TYR A 44 -13.760 15.702 -3.646 1.00 0.00 C ATOM 402 CZ TYR A 44 -13.680 16.394 -2.478 1.00 0.00 C ATOM 403 OH TYR A 44 -14.781 17.067 -2.046 1.00 0.00 O ATOM 0 H TYR A 44 -8.653 14.990 -2.207 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.432 12.770 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.413 14.981 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.442 13.736 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.476 15.753 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.631 14.431 -5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.529 17.004 -0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.676 15.688 -4.218 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.512 16.944 -2.687 1.00 0.00 H new ATOM 412 N CYS A 45 -8.586 11.089 -2.861 1.00 0.00 N ATOM 413 CA CYS A 45 -7.864 9.970 -3.443 1.00 0.00 C ATOM 414 C CYS A 45 -8.601 9.529 -4.709 1.00 0.00 C ATOM 415 O CYS A 45 -8.027 9.525 -5.796 1.00 0.00 O ATOM 416 CB CYS A 45 -7.702 8.821 -2.447 1.00 0.00 C ATOM 417 SG CYS A 45 -6.170 8.881 -1.447 1.00 0.00 S ATOM 0 H CYS A 45 -8.832 10.972 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.853 10.283 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.559 8.819 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.725 7.879 -2.994 1.00 0.00 H new ATOM 421 N HIS A 46 -9.864 9.167 -4.525 1.00 0.00 N ATOM 422 CA HIS A 46 -10.685 8.725 -5.638 1.00 0.00 C ATOM 423 C HIS A 46 -10.340 9.540 -6.886 1.00 0.00 C ATOM 424 O HIS A 46 -10.044 10.730 -6.793 1.00 0.00 O ATOM 425 CB HIS A 46 -12.170 8.793 -5.277 1.00 0.00 C ATOM 426 CG HIS A 46 -13.082 8.178 -6.313 1.00 0.00 C ATOM 427 ND1 HIS A 46 -14.007 7.195 -6.008 1.00 0.00 N ATOM 428 CD2 HIS A 46 -13.203 8.420 -7.650 1.00 0.00 C ATOM 429 CE1 HIS A 46 -14.648 6.866 -7.120 1.00 0.00 C ATOM 430 NE2 HIS A 46 -14.148 7.626 -8.136 1.00 0.00 N ATOM 0 H HIS A 46 -10.337 9.171 -3.621 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.472 7.679 -5.860 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -12.326 8.287 -4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.451 9.836 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -12.627 9.137 -8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -15.430 6.126 -7.207 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -14.451 7.590 -9.109 1.00 0.00 H new ATOM 437 N ARG A 47 -10.390 8.867 -8.026 1.00 0.00 N ATOM 438 CA ARG A 47 -10.087 9.514 -9.291 1.00 0.00 C ATOM 439 C ARG A 47 -11.100 10.623 -9.577 1.00 0.00 C ATOM 440 O ARG A 47 -10.864 11.785 -9.246 1.00 0.00 O ATOM 441 CB ARG A 47 -10.106 8.506 -10.443 1.00 0.00 C ATOM 442 CG ARG A 47 -10.003 9.217 -11.794 1.00 0.00 C ATOM 443 CD ARG A 47 -8.778 8.735 -12.575 1.00 0.00 C ATOM 444 NE ARG A 47 -8.383 9.752 -13.575 1.00 0.00 N ATOM 445 CZ ARG A 47 -7.791 10.915 -13.271 1.00 0.00 C ATOM 446 NH1 ARG A 47 -7.520 11.214 -11.994 1.00 0.00 N ATOM 447 NH2 ARG A 47 -7.468 11.777 -14.245 1.00 0.00 N ATOM 0 H ARG A 47 -10.636 7.880 -8.100 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.088 9.942 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.278 7.806 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.025 7.921 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.906 9.032 -12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.939 10.294 -11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.951 8.546 -11.890 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.002 7.791 -13.073 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.573 9.555 -14.558 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.764 10.557 -11.253 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.069 12.099 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.673 11.548 -15.218 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.017 12.662 -14.014 1.00 0.00 H new ATOM 458 N THR A 48 -12.208 10.227 -10.187 1.00 0.00 N ATOM 459 CA THR A 48 -13.258 11.174 -10.520 1.00 0.00 C ATOM 460 C THR A 48 -14.239 10.553 -11.517 1.00 0.00 C ATOM 461 O THR A 48 -15.450 10.737 -11.398 1.00 0.00 O ATOM 462 CB THR A 48 -12.596 12.452 -11.036 1.00 0.00 C ATOM 463 OG1 THR A 48 -13.570 13.023 -11.905 1.00 0.00 O ATOM 464 CG2 THR A 48 -11.403 12.166 -11.951 1.00 0.00 C ATOM 0 H THR A 48 -12.401 9.263 -10.459 1.00 0.00 H new ATOM 0 HA THR A 48 -13.852 11.430 -9.643 1.00 0.00 H new ATOM 0 HB THR A 48 -12.268 13.056 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.222 13.858 -12.283 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.970 13.107 -12.289 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.652 11.597 -11.403 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.736 11.589 -12.814 1.00 0.00 H new ATOM 472 N THR A 49 -13.680 9.831 -12.477 1.00 0.00 N ATOM 473 CA THR A 49 -14.490 9.182 -13.492 1.00 0.00 C ATOM 474 C THR A 49 -13.613 8.716 -14.657 1.00 0.00 C ATOM 475 O THR A 49 -12.429 9.044 -14.716 1.00 0.00 O ATOM 476 CB THR A 49 -15.592 10.157 -13.913 1.00 0.00 C ATOM 477 OG1 THR A 49 -15.881 9.795 -15.261 1.00 0.00 O ATOM 478 CG2 THR A 49 -15.089 11.599 -14.015 1.00 0.00 C ATOM 0 H THR A 49 -12.676 9.682 -12.573 1.00 0.00 H new ATOM 0 HA THR A 49 -14.965 8.281 -13.103 1.00 0.00 H new ATOM 0 HB THR A 49 -16.413 10.107 -13.198 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.400 10.509 -15.687 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.909 12.250 -14.317 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.708 11.921 -13.046 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.291 11.654 -14.755 1.00 0.00 H new ATOM 486 N ILE A 50 -14.229 7.961 -15.554 1.00 0.00 N ATOM 487 CA ILE A 50 -13.519 7.447 -16.714 1.00 0.00 C ATOM 488 C ILE A 50 -13.341 8.572 -17.736 1.00 0.00 C ATOM 489 O ILE A 50 -12.225 8.843 -18.177 1.00 0.00 O ATOM 490 CB ILE A 50 -14.230 6.213 -17.273 1.00 0.00 C ATOM 491 CG1 ILE A 50 -13.974 4.987 -16.396 1.00 0.00 C ATOM 492 CG2 ILE A 50 -13.834 5.967 -18.731 1.00 0.00 C ATOM 493 CD1 ILE A 50 -15.276 4.471 -15.781 1.00 0.00 C ATOM 0 H ILE A 50 -15.212 7.692 -15.502 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.521 7.111 -16.433 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.304 6.401 -17.257 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.512 4.200 -16.992 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.270 5.243 -15.604 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.353 5.084 -19.105 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.109 6.832 -19.334 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.757 5.809 -18.794 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.065 3.599 -15.162 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.723 5.253 -15.167 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.969 4.193 -16.575 1.00 0.00 H new ATOM 504 N GLY A 51 -14.458 9.194 -18.084 1.00 0.00 N ATOM 505 CA GLY A 51 -14.438 10.282 -19.047 1.00 0.00 C ATOM 506 C GLY A 51 -15.859 10.737 -19.388 1.00 0.00 C ATOM 507 O GLY A 51 -16.102 11.925 -19.596 1.00 0.00 O ATOM 0 H GLY A 51 -15.382 8.966 -17.717 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.871 11.120 -18.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.927 9.960 -19.955 1.00 0.00 H new ATOM 511 N ASN A 52 -16.761 9.768 -19.436 1.00 0.00 N ATOM 512 CA ASN A 52 -18.151 10.053 -19.749 1.00 0.00 C ATOM 513 C ASN A 52 -18.936 10.227 -18.448 1.00 0.00 C ATOM 514 O ASN A 52 -19.968 9.587 -18.251 1.00 0.00 O ATOM 515 CB ASN A 52 -18.786 8.904 -20.534 1.00 0.00 C ATOM 516 CG ASN A 52 -19.926 9.409 -21.421 1.00 0.00 C ATOM 517 OD1 ASN A 52 -19.718 9.948 -22.495 1.00 0.00 O ATOM 518 ND2 ASN A 52 -21.137 9.205 -20.912 1.00 0.00 N ATOM 0 H ASN A 52 -16.556 8.784 -19.263 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.182 10.961 -20.351 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.029 8.418 -21.150 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.165 8.152 -19.842 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.964 9.506 -21.427 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.239 8.747 -20.006 1.00 0.00 H new ATOM 524 N PHE A 53 -18.419 11.098 -17.593 1.00 0.00 N ATOM 525 CA PHE A 53 -19.059 11.364 -16.317 1.00 0.00 C ATOM 526 C PHE A 53 -19.022 10.128 -15.415 1.00 0.00 C ATOM 527 O PHE A 53 -18.321 10.113 -14.405 1.00 0.00 O ATOM 528 CB PHE A 53 -20.517 11.721 -16.613 1.00 0.00 C ATOM 529 CG PHE A 53 -20.936 13.100 -16.101 1.00 0.00 C ATOM 530 CD1 PHE A 53 -20.449 14.223 -16.693 1.00 0.00 C ATOM 531 CD2 PHE A 53 -21.797 13.204 -15.054 1.00 0.00 C ATOM 532 CE1 PHE A 53 -20.838 15.503 -16.218 1.00 0.00 C ATOM 533 CE2 PHE A 53 -22.186 14.483 -14.578 1.00 0.00 C ATOM 534 CZ PHE A 53 -21.699 15.607 -15.170 1.00 0.00 C ATOM 0 H PHE A 53 -17.564 11.628 -17.760 1.00 0.00 H new ATOM 0 HA PHE A 53 -18.539 12.172 -15.802 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -20.679 11.680 -17.690 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -21.163 10.966 -16.165 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -19.766 14.141 -17.525 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -22.185 12.312 -14.584 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.450 16.394 -16.689 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.869 14.564 -13.745 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.996 16.580 -14.808 1.00 0.00 H new ATOM 543 N SER A 54 -19.785 9.121 -15.815 1.00 0.00 N ATOM 544 CA SER A 54 -19.850 7.884 -15.056 1.00 0.00 C ATOM 545 C SER A 54 -20.376 6.753 -15.942 1.00 0.00 C ATOM 546 O SER A 54 -21.386 6.128 -15.622 1.00 0.00 O ATOM 547 CB SER A 54 -20.734 8.043 -13.817 1.00 0.00 C ATOM 548 OG SER A 54 -20.437 7.067 -12.822 1.00 0.00 O ATOM 0 H SER A 54 -20.363 9.137 -16.655 1.00 0.00 H new ATOM 0 HA SER A 54 -18.843 7.636 -14.721 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.597 9.040 -13.399 1.00 0.00 H new ATOM 0 HB3 SER A 54 -21.782 7.960 -14.106 1.00 0.00 H new ATOM 0 HG SER A 54 -21.021 7.202 -12.047 1.00 0.00 H new ATOM 553 N GLY A 55 -19.668 6.525 -17.038 1.00 0.00 N ATOM 554 CA GLY A 55 -20.051 5.481 -17.973 1.00 0.00 C ATOM 555 C GLY A 55 -19.642 4.102 -17.451 1.00 0.00 C ATOM 556 O GLY A 55 -20.418 3.438 -16.765 1.00 0.00 O ATOM 0 H GLY A 55 -18.831 7.046 -17.300 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.129 5.508 -18.133 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.581 5.662 -18.939 1.00 0.00 H new ATOM 560 N PRO A 56 -18.392 3.700 -17.808 1.00 0.00 N ATOM 561 CA PRO A 56 -17.872 2.412 -17.383 1.00 0.00 C ATOM 562 C PRO A 56 -17.479 2.439 -15.905 1.00 0.00 C ATOM 563 O PRO A 56 -17.601 3.470 -15.245 1.00 0.00 O ATOM 564 CB PRO A 56 -16.693 2.141 -18.305 1.00 0.00 C ATOM 565 CG PRO A 56 -16.311 3.487 -18.900 1.00 0.00 C ATOM 566 CD PRO A 56 -17.446 4.459 -18.620 1.00 0.00 C ATOM 0 HA PRO A 56 -18.612 1.615 -17.457 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.859 1.706 -17.755 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -16.964 1.431 -19.087 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.381 3.849 -18.461 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -16.142 3.396 -19.973 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.089 5.342 -18.090 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.907 4.806 -19.545 1.00 0.00 H new ATOM 571 N TYR A 57 -17.016 1.293 -15.427 1.00 0.00 N ATOM 572 CA TYR A 57 -16.605 1.173 -14.039 1.00 0.00 C ATOM 573 C TYR A 57 -16.122 -0.246 -13.731 1.00 0.00 C ATOM 574 O TYR A 57 -16.027 -1.082 -14.629 1.00 0.00 O ATOM 575 CB TYR A 57 -17.852 1.467 -13.202 1.00 0.00 C ATOM 576 CG TYR A 57 -17.564 1.711 -11.720 1.00 0.00 C ATOM 577 CD1 TYR A 57 -16.426 2.394 -11.341 1.00 0.00 C ATOM 578 CD2 TYR A 57 -18.443 1.249 -10.762 1.00 0.00 C ATOM 579 CE1 TYR A 57 -16.155 2.623 -9.945 1.00 0.00 C ATOM 580 CE2 TYR A 57 -18.172 1.479 -9.365 1.00 0.00 C ATOM 581 CZ TYR A 57 -17.041 2.154 -9.027 1.00 0.00 C ATOM 582 OH TYR A 57 -16.785 2.371 -7.708 1.00 0.00 O ATOM 0 H TYR A 57 -16.917 0.440 -15.977 1.00 0.00 H new ATOM 0 HA TYR A 57 -15.785 1.857 -13.822 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -18.354 2.343 -13.613 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -18.544 0.630 -13.294 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.739 2.757 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -19.334 0.715 -11.059 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -15.268 3.155 -9.635 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -18.851 1.123 -8.604 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.503 1.982 -7.167 1.00 0.00 H new ATOM 591 N THR A 58 -15.831 -0.475 -12.458 1.00 0.00 N ATOM 592 CA THR A 58 -15.361 -1.778 -12.021 1.00 0.00 C ATOM 593 C THR A 58 -13.846 -1.887 -12.202 1.00 0.00 C ATOM 594 O THR A 58 -13.326 -2.968 -12.476 1.00 0.00 O ATOM 595 CB THR A 58 -16.143 -2.846 -12.788 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.482 -2.359 -12.793 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.230 -4.170 -12.027 1.00 0.00 C ATOM 0 H THR A 58 -15.912 0.220 -11.716 1.00 0.00 H new ATOM 0 HA THR A 58 -15.541 -1.926 -10.956 1.00 0.00 H new ATOM 0 HB THR A 58 -15.671 -3.015 -13.756 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.058 -2.991 -13.272 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.795 -4.892 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.226 -4.554 -11.849 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.731 -4.009 -11.073 1.00 0.00 H new ATOM 605 N TYR A 59 -13.180 -0.752 -12.045 1.00 0.00 N ATOM 606 CA TYR A 59 -11.734 -0.707 -12.188 1.00 0.00 C ATOM 607 C TYR A 59 -11.071 -0.212 -10.902 1.00 0.00 C ATOM 608 O TYR A 59 -11.636 0.614 -10.185 1.00 0.00 O ATOM 609 CB TYR A 59 -11.454 0.295 -13.310 1.00 0.00 C ATOM 610 CG TYR A 59 -11.868 1.730 -12.981 1.00 0.00 C ATOM 611 CD1 TYR A 59 -13.142 2.167 -13.283 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.968 2.588 -12.384 1.00 0.00 C ATOM 613 CE1 TYR A 59 -13.532 3.518 -12.973 1.00 0.00 C ATOM 614 CE2 TYR A 59 -11.358 3.940 -12.074 1.00 0.00 C ATOM 615 CZ TYR A 59 -12.620 4.338 -12.384 1.00 0.00 C ATOM 616 OH TYR A 59 -12.989 5.615 -12.092 1.00 0.00 O ATOM 0 H TYR A 59 -13.615 0.143 -11.820 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.338 -1.699 -12.404 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.389 0.279 -13.540 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.979 -0.026 -14.209 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.846 1.496 -13.752 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.971 2.246 -12.149 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.526 3.872 -13.203 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.663 4.622 -11.606 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.238 6.085 -11.673 1.00 0.00 H new ATOM 625 N CYS A 60 -9.882 -0.737 -10.647 1.00 0.00 N ATOM 626 CA CYS A 60 -9.135 -0.359 -9.458 1.00 0.00 C ATOM 627 C CYS A 60 -9.211 1.161 -9.307 1.00 0.00 C ATOM 628 O CYS A 60 -8.924 1.897 -10.251 1.00 0.00 O ATOM 629 CB CYS A 60 -7.690 -0.856 -9.517 1.00 0.00 C ATOM 630 SG CYS A 60 -7.492 -2.575 -10.113 1.00 0.00 S ATOM 0 H CYS A 60 -9.417 -1.421 -11.243 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.577 -0.832 -8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.119 -0.193 -10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.253 -0.779 -8.521 1.00 0.00 H new ATOM 634 N ASN A 61 -9.598 1.588 -8.114 1.00 0.00 N ATOM 635 CA ASN A 61 -9.713 3.007 -7.828 1.00 0.00 C ATOM 636 C ASN A 61 -8.586 3.427 -6.883 1.00 0.00 C ATOM 637 O ASN A 61 -7.919 2.578 -6.292 1.00 0.00 O ATOM 638 CB ASN A 61 -11.045 3.324 -7.144 1.00 0.00 C ATOM 639 CG ASN A 61 -11.239 4.835 -6.997 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.016 5.416 -5.947 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.668 5.436 -8.103 1.00 0.00 N ATOM 0 H ASN A 61 -9.836 0.975 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.654 3.547 -8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.866 2.903 -7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.075 2.852 -6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.830 6.443 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.835 4.890 -8.948 1.00 0.00 H new ATOM 647 N THR A 62 -8.408 4.735 -6.770 1.00 0.00 N ATOM 648 CA THR A 62 -7.372 5.277 -5.906 1.00 0.00 C ATOM 649 C THR A 62 -7.668 4.939 -4.443 1.00 0.00 C ATOM 650 O THR A 62 -8.723 5.294 -3.921 1.00 0.00 O ATOM 651 CB THR A 62 -7.271 6.779 -6.174 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.896 6.862 -7.547 1.00 0.00 O ATOM 653 CG2 THR A 62 -6.105 7.431 -5.429 1.00 0.00 C ATOM 0 H THR A 62 -8.963 5.435 -7.262 1.00 0.00 H new ATOM 0 HA THR A 62 -6.402 4.828 -6.121 1.00 0.00 H new ATOM 0 HB THR A 62 -8.203 7.263 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.810 7.803 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.080 8.497 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.235 7.290 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.169 6.971 -5.745 1.00 0.00 H new ATOM 661 N THR A 63 -6.716 4.258 -3.822 1.00 0.00 N ATOM 662 CA THR A 63 -6.860 3.869 -2.430 1.00 0.00 C ATOM 663 C THR A 63 -5.495 3.845 -1.739 1.00 0.00 C ATOM 664 O THR A 63 -4.463 3.741 -2.399 1.00 0.00 O ATOM 665 CB THR A 63 -7.586 2.523 -2.388 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.231 2.517 -1.117 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.621 1.339 -2.323 1.00 0.00 C ATOM 0 H THR A 63 -5.841 3.966 -4.258 1.00 0.00 H new ATOM 0 HA THR A 63 -7.457 4.594 -1.876 1.00 0.00 H new ATOM 0 HB THR A 63 -8.221 2.425 -3.269 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.728 1.679 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.188 0.409 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.977 1.345 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.009 1.418 -1.425 1.00 0.00 H new ATOM 675 N LEU A 64 -5.534 3.943 -0.418 1.00 0.00 N ATOM 676 CA LEU A 64 -4.313 3.933 0.370 1.00 0.00 C ATOM 677 C LEU A 64 -3.994 2.497 0.789 1.00 0.00 C ATOM 678 O LEU A 64 -4.894 1.732 1.133 1.00 0.00 O ATOM 679 CB LEU A 64 -4.427 4.906 1.546 1.00 0.00 C ATOM 680 CG LEU A 64 -5.415 4.516 2.646 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.683 3.937 3.859 1.00 0.00 C ATOM 682 CD2 LEU A 64 -6.307 5.699 3.027 1.00 0.00 C ATOM 0 H LEU A 64 -6.392 4.030 0.126 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.471 4.286 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.440 5.019 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.714 5.883 1.157 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.067 3.733 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.408 3.668 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.126 3.050 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.993 4.681 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.000 5.394 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.688 6.520 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.869 6.027 2.153 1.00 0.00 H new ATOM 693 N ASP A 65 -2.710 2.175 0.747 1.00 0.00 N ATOM 694 CA ASP A 65 -2.260 0.843 1.119 1.00 0.00 C ATOM 695 C ASP A 65 -1.861 0.838 2.597 1.00 0.00 C ATOM 696 O ASP A 65 -2.095 1.814 3.310 1.00 0.00 O ATOM 697 CB ASP A 65 -1.037 0.426 0.299 1.00 0.00 C ATOM 698 CG ASP A 65 -0.895 -1.079 0.071 1.00 0.00 C ATOM 699 OD1 ASP A 65 -1.767 -1.632 -0.635 1.00 0.00 O ATOM 700 OD2 ASP A 65 0.082 -1.646 0.607 1.00 0.00 O ATOM 0 H ASP A 65 -1.967 2.812 0.461 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.077 0.146 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.082 0.923 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.140 0.788 0.802 1.00 0.00 H new ATOM 704 N GLN A 66 -1.267 -0.270 3.013 1.00 0.00 N ATOM 705 CA GLN A 66 -0.834 -0.416 4.392 1.00 0.00 C ATOM 706 C GLN A 66 0.377 0.478 4.665 1.00 0.00 C ATOM 707 O GLN A 66 0.754 0.684 5.817 1.00 0.00 O ATOM 708 CB GLN A 66 -0.523 -1.877 4.718 1.00 0.00 C ATOM 709 CG GLN A 66 -1.714 -2.553 5.400 1.00 0.00 C ATOM 710 CD GLN A 66 -1.244 -3.592 6.420 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.298 -4.330 6.202 1.00 0.00 O ATOM 712 NE2 GLN A 66 -1.957 -3.609 7.543 1.00 0.00 N ATOM 0 H GLN A 66 -1.075 -1.076 2.419 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.649 -0.100 5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.272 -2.412 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.351 -1.930 5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.328 -1.802 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.343 -3.033 4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.738 -2.963 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.723 -4.268 8.286 1.00 0.00 H new ATOM 719 N ILE A 67 0.953 0.985 3.585 1.00 0.00 N ATOM 720 CA ILE A 67 2.115 1.852 3.694 1.00 0.00 C ATOM 721 C ILE A 67 1.687 3.302 3.462 1.00 0.00 C ATOM 722 O ILE A 67 2.407 4.072 2.828 1.00 0.00 O ATOM 723 CB ILE A 67 3.225 1.381 2.752 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.698 1.213 1.324 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.882 0.101 3.274 1.00 0.00 C ATOM 726 CD1 ILE A 67 3.812 1.439 0.300 1.00 0.00 C ATOM 0 H ILE A 67 0.637 0.812 2.631 1.00 0.00 H new ATOM 0 HA ILE A 67 2.536 1.800 4.698 1.00 0.00 H new ATOM 0 HB ILE A 67 3.997 2.150 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.283 0.213 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.887 1.919 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.667 -0.212 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.315 0.289 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.133 -0.687 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.412 1.314 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.208 2.448 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.611 0.716 0.466 1.00 0.00 H new ATOM 737 N GLY A 68 0.517 3.631 3.989 1.00 0.00 N ATOM 738 CA GLY A 68 -0.016 4.975 3.848 1.00 0.00 C ATOM 739 C GLY A 68 0.315 5.555 2.471 1.00 0.00 C ATOM 740 O GLY A 68 0.739 6.705 2.362 1.00 0.00 O ATOM 0 H GLY A 68 -0.077 2.990 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.097 4.958 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.397 5.617 4.626 1.00 0.00 H new ATOM 744 N THR A 69 0.109 4.733 1.453 1.00 0.00 N ATOM 745 CA THR A 69 0.380 5.148 0.088 1.00 0.00 C ATOM 746 C THR A 69 -0.892 5.063 -0.759 1.00 0.00 C ATOM 747 O THR A 69 -1.449 3.982 -0.939 1.00 0.00 O ATOM 748 CB THR A 69 1.527 4.291 -0.449 1.00 0.00 C ATOM 749 OG1 THR A 69 2.034 5.039 -1.551 1.00 0.00 O ATOM 750 CG2 THR A 69 1.036 2.985 -1.079 1.00 0.00 C ATOM 0 H THR A 69 -0.243 3.780 1.547 1.00 0.00 H new ATOM 0 HA THR A 69 0.690 6.192 0.047 1.00 0.00 H new ATOM 0 HB THR A 69 2.221 4.066 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.992 4.860 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.889 2.414 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.501 2.399 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.368 3.211 -1.910 1.00 0.00 H new ATOM 758 N CYS A 70 -1.312 6.216 -1.256 1.00 0.00 N ATOM 759 CA CYS A 70 -2.508 6.286 -2.079 1.00 0.00 C ATOM 760 C CYS A 70 -2.078 6.339 -3.547 1.00 0.00 C ATOM 761 O CYS A 70 -1.524 7.341 -3.998 1.00 0.00 O ATOM 762 CB CYS A 70 -3.389 7.476 -1.699 1.00 0.00 C ATOM 763 SG CYS A 70 -5.178 7.235 -2.000 1.00 0.00 S ATOM 0 H CYS A 70 -0.846 7.110 -1.105 1.00 0.00 H new ATOM 0 HA CYS A 70 -3.119 5.399 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.240 7.698 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.055 8.350 -2.258 1.00 0.00 H new ATOM 767 N TRP A 71 -2.349 5.249 -4.250 1.00 0.00 N ATOM 768 CA TRP A 71 -1.997 5.160 -5.656 1.00 0.00 C ATOM 769 C TRP A 71 -3.226 5.555 -6.477 1.00 0.00 C ATOM 770 O TRP A 71 -4.354 5.472 -5.992 1.00 0.00 O ATOM 771 CB TRP A 71 -1.469 3.767 -6.003 1.00 0.00 C ATOM 772 CG TRP A 71 -0.158 3.405 -5.302 1.00 0.00 C ATOM 773 CD1 TRP A 71 0.368 3.959 -4.201 1.00 0.00 C ATOM 774 CD2 TRP A 71 0.777 2.382 -5.701 1.00 0.00 C ATOM 775 NE1 TRP A 71 1.569 3.369 -3.863 1.00 0.00 N ATOM 776 CE2 TRP A 71 1.825 2.379 -4.805 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.738 1.486 -6.785 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.913 1.503 -4.900 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.832 0.617 -6.866 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.896 0.603 -5.972 1.00 0.00 C ATOM 0 H TRP A 71 -2.808 4.420 -3.872 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.184 5.846 -5.894 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -2.225 3.027 -5.741 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.322 3.704 -7.081 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.090 4.766 -3.648 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.160 3.614 -3.069 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.073 1.470 -7.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.722 1.521 -4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.851 -0.092 -7.680 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.706 -0.099 -6.104 1.00 0.00 H new ATOM 790 N PRO A 72 -2.961 5.987 -7.739 1.00 0.00 N ATOM 791 CA PRO A 72 -4.032 6.395 -8.632 1.00 0.00 C ATOM 792 C PRO A 72 -4.789 5.179 -9.170 1.00 0.00 C ATOM 793 O PRO A 72 -4.201 4.119 -9.376 1.00 0.00 O ATOM 794 CB PRO A 72 -3.349 7.201 -9.725 1.00 0.00 C ATOM 795 CG PRO A 72 -1.878 6.826 -9.660 1.00 0.00 C ATOM 796 CD PRO A 72 -1.638 6.099 -8.347 1.00 0.00 C ATOM 0 HA PRO A 72 -4.792 6.994 -8.131 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.769 6.967 -10.703 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.487 8.270 -9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.609 6.190 -10.503 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.254 7.718 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.194 5.117 -8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.953 6.654 -7.706 1.00 0.00 H new ATOM 801 N GLN A 73 -6.083 5.374 -9.385 1.00 0.00 N ATOM 802 CA GLN A 73 -6.926 4.307 -9.895 1.00 0.00 C ATOM 803 C GLN A 73 -6.221 3.574 -11.038 1.00 0.00 C ATOM 804 O GLN A 73 -5.187 4.028 -11.527 1.00 0.00 O ATOM 805 CB GLN A 73 -8.283 4.850 -10.347 1.00 0.00 C ATOM 806 CG GLN A 73 -8.121 5.834 -11.507 1.00 0.00 C ATOM 807 CD GLN A 73 -7.718 5.107 -12.790 1.00 0.00 C ATOM 808 OE1 GLN A 73 -8.361 4.170 -13.233 1.00 0.00 O ATOM 809 NE2 GLN A 73 -6.617 5.589 -13.361 1.00 0.00 N ATOM 0 H GLN A 73 -6.567 6.256 -9.215 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.106 3.595 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.925 4.024 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.777 5.346 -9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.056 6.370 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.366 6.579 -11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.126 6.376 -12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.264 5.171 -14.222 1.00 0.00 H new ATOM 816 N SER A 74 -6.808 2.453 -11.431 1.00 0.00 N ATOM 817 CA SER A 74 -6.248 1.654 -12.507 1.00 0.00 C ATOM 818 C SER A 74 -7.334 0.761 -13.114 1.00 0.00 C ATOM 819 O SER A 74 -8.434 0.662 -12.574 1.00 0.00 O ATOM 820 CB SER A 74 -5.079 0.802 -12.010 1.00 0.00 C ATOM 821 OG SER A 74 -4.364 1.441 -10.956 1.00 0.00 O ATOM 0 H SER A 74 -7.665 2.080 -11.024 1.00 0.00 H new ATOM 0 HA SER A 74 -5.870 2.330 -13.274 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.454 -0.161 -11.662 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.400 0.599 -12.838 1.00 0.00 H new ATOM 0 HG SER A 74 -4.151 0.784 -10.260 1.00 0.00 H new ATOM 826 N ALA A 75 -6.985 0.135 -14.228 1.00 0.00 N ATOM 827 CA ALA A 75 -7.916 -0.747 -14.913 1.00 0.00 C ATOM 828 C ALA A 75 -7.768 -2.165 -14.362 1.00 0.00 C ATOM 829 O ALA A 75 -6.740 -2.505 -13.777 1.00 0.00 O ATOM 830 CB ALA A 75 -7.666 -0.679 -16.421 1.00 0.00 C ATOM 0 H ALA A 75 -6.071 0.220 -14.674 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.944 -0.431 -14.737 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.363 -1.340 -16.936 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.812 0.344 -16.768 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.644 -0.992 -16.635 1.00 0.00 H new ATOM 836 N PRO A 76 -8.838 -2.978 -14.572 1.00 0.00 N ATOM 837 CA PRO A 76 -8.838 -4.353 -14.102 1.00 0.00 C ATOM 838 C PRO A 76 -7.952 -5.234 -14.985 1.00 0.00 C ATOM 839 O PRO A 76 -7.856 -5.013 -16.192 1.00 0.00 O ATOM 840 CB PRO A 76 -10.298 -4.774 -14.117 1.00 0.00 C ATOM 841 CG PRO A 76 -11.008 -3.787 -15.029 1.00 0.00 C ATOM 842 CD PRO A 76 -10.073 -2.611 -15.260 1.00 0.00 C ATOM 0 HA PRO A 76 -8.418 -4.456 -13.101 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.406 -5.794 -14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.721 -4.752 -13.113 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.267 -4.260 -15.976 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.940 -3.450 -14.575 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.900 -2.446 -16.323 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.491 -1.688 -14.858 1.00 0.00 H new ATOM 847 N GLY A 77 -7.326 -6.214 -14.350 1.00 0.00 N ATOM 848 CA GLY A 77 -6.451 -7.129 -15.063 1.00 0.00 C ATOM 849 C GLY A 77 -5.153 -6.435 -15.478 1.00 0.00 C ATOM 850 O GLY A 77 -4.324 -7.023 -16.170 1.00 0.00 O ATOM 0 H GLY A 77 -7.407 -6.394 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.223 -7.987 -14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.962 -7.512 -15.947 1.00 0.00 H new ATOM 854 N ALA A 78 -5.016 -5.193 -15.038 1.00 0.00 N ATOM 855 CA ALA A 78 -3.832 -4.412 -15.354 1.00 0.00 C ATOM 856 C ALA A 78 -2.638 -4.965 -14.574 1.00 0.00 C ATOM 857 O ALA A 78 -2.586 -6.157 -14.275 1.00 0.00 O ATOM 858 CB ALA A 78 -4.097 -2.937 -15.049 1.00 0.00 C ATOM 0 H ALA A 78 -5.706 -4.708 -14.465 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.594 -4.487 -16.415 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.209 -2.351 -15.286 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.935 -2.586 -15.651 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.336 -2.821 -13.992 1.00 0.00 H new ATOM 864 N LEU A 79 -1.709 -4.072 -14.267 1.00 0.00 N ATOM 865 CA LEU A 79 -0.519 -4.456 -13.527 1.00 0.00 C ATOM 866 C LEU A 79 0.314 -3.207 -13.226 1.00 0.00 C ATOM 867 O LEU A 79 1.121 -2.781 -14.051 1.00 0.00 O ATOM 868 CB LEU A 79 0.253 -5.542 -14.278 1.00 0.00 C ATOM 869 CG LEU A 79 0.320 -6.910 -13.596 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.408 -8.035 -14.629 1.00 0.00 C ATOM 871 CD2 LEU A 79 1.473 -6.965 -12.590 1.00 0.00 C ATOM 0 H LEU A 79 -1.756 -3.084 -14.517 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.793 -4.897 -12.569 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.202 -5.670 -15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.271 -5.189 -14.441 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.604 -7.058 -13.037 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.454 -8.996 -14.117 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.472 -8.008 -15.272 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.304 -7.903 -15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.499 -7.948 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.416 -6.786 -13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.327 -6.201 -11.827 1.00 0.00 H new ATOM 882 N VAL A 80 0.089 -2.657 -12.042 1.00 0.00 N ATOM 883 CA VAL A 80 0.808 -1.466 -11.622 1.00 0.00 C ATOM 884 C VAL A 80 2.042 -1.877 -10.818 1.00 0.00 C ATOM 885 O VAL A 80 2.170 -1.526 -9.646 1.00 0.00 O ATOM 886 CB VAL A 80 -0.127 -0.535 -10.847 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.634 0.671 -10.293 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.303 -0.089 -11.719 1.00 0.00 C ATOM 0 H VAL A 80 -0.581 -3.014 -11.360 1.00 0.00 H new ATOM 0 HA VAL A 80 1.157 -0.906 -12.490 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.530 -1.093 -10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.054 1.316 -9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.420 0.328 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.079 1.230 -11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.952 0.572 -11.144 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.927 0.442 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.869 -0.963 -12.041 1.00 0.00 H new ATOM 898 N GLU A 81 2.921 -2.617 -11.479 1.00 0.00 N ATOM 899 CA GLU A 81 4.140 -3.081 -10.840 1.00 0.00 C ATOM 900 C GLU A 81 5.300 -2.137 -11.163 1.00 0.00 C ATOM 901 O GLU A 81 5.324 -1.517 -12.224 1.00 0.00 O ATOM 902 CB GLU A 81 4.468 -4.515 -11.260 1.00 0.00 C ATOM 903 CG GLU A 81 4.737 -4.599 -12.764 1.00 0.00 C ATOM 904 CD GLU A 81 5.898 -5.551 -13.061 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.893 -5.484 -12.307 1.00 0.00 O ATOM 906 OE2 GLU A 81 5.764 -6.322 -14.035 1.00 0.00 O ATOM 0 H GLU A 81 2.812 -2.906 -12.451 1.00 0.00 H new ATOM 0 HA GLU A 81 3.985 -3.080 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.341 -4.868 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.639 -5.173 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.840 -4.942 -13.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.967 -3.607 -13.152 1.00 0.00 H new ATOM 911 N ARG A 82 6.234 -2.057 -10.226 1.00 0.00 N ATOM 912 CA ARG A 82 7.394 -1.199 -10.398 1.00 0.00 C ATOM 913 C ARG A 82 8.545 -1.678 -9.510 1.00 0.00 C ATOM 914 O ARG A 82 8.969 -0.969 -8.599 1.00 0.00 O ATOM 915 CB ARG A 82 7.062 0.253 -10.049 1.00 0.00 C ATOM 916 CG ARG A 82 6.286 0.337 -8.733 1.00 0.00 C ATOM 917 CD ARG A 82 5.931 1.787 -8.397 1.00 0.00 C ATOM 918 NE ARG A 82 4.463 1.970 -8.434 1.00 0.00 N ATOM 919 CZ ARG A 82 3.857 3.164 -8.499 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.588 4.286 -8.534 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.519 3.235 -8.528 1.00 0.00 N ATOM 0 H ARG A 82 6.211 -2.572 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 82 7.692 -1.251 -11.445 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.983 0.831 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.474 0.698 -10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.375 -0.257 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.882 -0.091 -7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.313 2.044 -7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.408 2.461 -9.109 1.00 0.00 H new ATOM 0 HE ARG A 82 3.876 1.136 -8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.606 4.232 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.126 5.194 -8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.962 2.381 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.057 4.143 -8.577 1.00 0.00 H new ATOM 932 N PRO A 83 9.030 -2.912 -9.815 1.00 0.00 N ATOM 933 CA PRO A 83 10.123 -3.495 -9.055 1.00 0.00 C ATOM 934 C PRO A 83 11.456 -2.842 -9.424 1.00 0.00 C ATOM 935 O PRO A 83 11.771 -2.686 -10.602 1.00 0.00 O ATOM 936 CB PRO A 83 10.080 -4.980 -9.379 1.00 0.00 C ATOM 937 CG PRO A 83 9.267 -5.104 -10.657 1.00 0.00 C ATOM 938 CD PRO A 83 8.552 -3.781 -10.885 1.00 0.00 C ATOM 0 HA PRO A 83 10.023 -3.332 -7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.085 -5.379 -9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.620 -5.544 -8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.916 -5.338 -11.501 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.547 -5.918 -10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.787 -3.368 -11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.470 -3.903 -10.842 1.00 0.00 H new ATOM 943 N CYS A 84 12.205 -2.476 -8.392 1.00 0.00 N ATOM 944 CA CYS A 84 13.497 -1.842 -8.594 1.00 0.00 C ATOM 945 C CYS A 84 13.274 -0.518 -9.327 1.00 0.00 C ATOM 946 O CYS A 84 12.523 -0.461 -10.299 1.00 0.00 O ATOM 947 CB CYS A 84 14.464 -2.757 -9.349 1.00 0.00 C ATOM 948 SG CYS A 84 13.938 -4.506 -9.461 1.00 0.00 S ATOM 0 H CYS A 84 11.941 -2.607 -7.415 1.00 0.00 H new ATOM 0 HA CYS A 84 13.964 -1.647 -7.629 1.00 0.00 H new ATOM 0 HB2 CYS A 84 14.597 -2.367 -10.358 1.00 0.00 H new ATOM 0 HB3 CYS A 84 15.437 -2.716 -8.860 1.00 0.00 H new ATOM 952 N PRO A 85 13.958 0.542 -8.819 1.00 0.00 N ATOM 953 CA PRO A 85 13.843 1.862 -9.414 1.00 0.00 C ATOM 954 C PRO A 85 14.625 1.942 -10.726 1.00 0.00 C ATOM 955 O PRO A 85 14.904 0.919 -11.350 1.00 0.00 O ATOM 956 CB PRO A 85 14.362 2.819 -8.353 1.00 0.00 C ATOM 957 CG PRO A 85 15.177 1.971 -7.390 1.00 0.00 C ATOM 958 CD PRO A 85 14.857 0.512 -7.667 1.00 0.00 C ATOM 0 HA PRO A 85 12.818 2.112 -9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 85 14.975 3.602 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 85 13.539 3.314 -7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 85 16.242 2.160 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 85 14.934 2.226 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 85 15.761 -0.057 -7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 85 14.383 0.040 -6.806 1.00 0.00 H new ATOM 963 N GLU A 86 14.957 3.168 -11.106 1.00 0.00 N ATOM 964 CA GLU A 86 15.701 3.395 -12.333 1.00 0.00 C ATOM 965 C GLU A 86 17.026 4.099 -12.027 1.00 0.00 C ATOM 966 O GLU A 86 17.650 3.837 -11.001 1.00 0.00 O ATOM 967 CB GLU A 86 14.872 4.197 -13.337 1.00 0.00 C ATOM 968 CG GLU A 86 15.193 3.777 -14.773 1.00 0.00 C ATOM 969 CD GLU A 86 15.339 4.998 -15.682 1.00 0.00 C ATOM 970 OE1 GLU A 86 14.537 5.940 -15.500 1.00 0.00 O ATOM 971 OE2 GLU A 86 16.248 4.963 -16.539 1.00 0.00 O ATOM 0 H GLU A 86 14.724 4.014 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 86 15.922 2.428 -12.786 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.811 4.047 -13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.073 5.261 -13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.115 3.196 -14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.402 3.130 -15.152 1.00 0.00 H new ATOM 976 N TYR A 87 17.414 4.980 -12.938 1.00 0.00 N ATOM 977 CA TYR A 87 18.652 5.724 -12.779 1.00 0.00 C ATOM 978 C TYR A 87 19.854 4.779 -12.707 1.00 0.00 C ATOM 979 O TYR A 87 20.549 4.577 -13.701 1.00 0.00 O ATOM 980 CB TYR A 87 18.527 6.471 -11.451 1.00 0.00 C ATOM 981 CG TYR A 87 19.845 7.054 -10.937 1.00 0.00 C ATOM 982 CD1 TYR A 87 20.899 7.248 -11.807 1.00 0.00 C ATOM 983 CD2 TYR A 87 19.981 7.385 -9.604 1.00 0.00 C ATOM 984 CE1 TYR A 87 22.140 7.796 -11.324 1.00 0.00 C ATOM 985 CE2 TYR A 87 21.222 7.933 -9.121 1.00 0.00 C ATOM 986 CZ TYR A 87 22.240 8.111 -10.005 1.00 0.00 C ATOM 987 OH TYR A 87 23.412 8.628 -9.548 1.00 0.00 O ATOM 0 H TYR A 87 16.893 5.195 -13.788 1.00 0.00 H new ATOM 0 HA TYR A 87 18.808 6.395 -13.624 1.00 0.00 H new ATOM 0 HB2 TYR A 87 17.805 7.279 -11.567 1.00 0.00 H new ATOM 0 HB3 TYR A 87 18.125 5.791 -10.700 1.00 0.00 H new ATOM 0 HD1 TYR A 87 20.793 6.989 -12.850 1.00 0.00 H new ATOM 0 HD2 TYR A 87 19.157 7.233 -8.923 1.00 0.00 H new ATOM 0 HE1 TYR A 87 22.972 7.953 -11.994 1.00 0.00 H new ATOM 0 HE2 TYR A 87 21.342 8.197 -8.081 1.00 0.00 H new ATOM 0 HH TYR A 87 23.338 8.806 -8.587 1.00 0.00 H new ATOM 996 N PHE A 88 20.062 4.227 -11.521 1.00 0.00 N ATOM 997 CA PHE A 88 21.168 3.309 -11.306 1.00 0.00 C ATOM 998 C PHE A 88 20.682 1.858 -11.296 1.00 0.00 C ATOM 999 O PHE A 88 21.402 0.955 -11.720 1.00 0.00 O ATOM 1000 CB PHE A 88 21.767 3.643 -9.940 1.00 0.00 C ATOM 1001 CG PHE A 88 20.847 3.322 -8.761 1.00 0.00 C ATOM 1002 CD1 PHE A 88 19.872 4.200 -8.401 1.00 0.00 C ATOM 1003 CD2 PHE A 88 21.004 2.159 -8.073 1.00 0.00 C ATOM 1004 CE1 PHE A 88 19.018 3.901 -7.306 1.00 0.00 C ATOM 1005 CE2 PHE A 88 20.149 1.862 -6.979 1.00 0.00 C ATOM 1006 CZ PHE A 88 19.174 2.739 -6.618 1.00 0.00 C ATOM 0 H PHE A 88 19.483 4.398 -10.699 1.00 0.00 H new ATOM 0 HA PHE A 88 21.899 3.413 -12.107 1.00 0.00 H new ATOM 0 HB2 PHE A 88 22.700 3.093 -9.820 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.017 4.704 -9.914 1.00 0.00 H new ATOM 0 HD1 PHE A 88 19.747 5.123 -8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 88 21.778 1.462 -8.359 1.00 0.00 H new ATOM 0 HE1 PHE A 88 18.244 4.598 -7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 88 20.273 0.939 -6.433 1.00 0.00 H new ATOM 0 HZ PHE A 88 18.524 2.512 -5.786 1.00 0.00 H new ATOM 1015 N ASN A 89 19.463 1.679 -10.807 1.00 0.00 N ATOM 1016 CA ASN A 89 18.872 0.353 -10.736 1.00 0.00 C ATOM 1017 C ASN A 89 19.320 -0.330 -9.442 1.00 0.00 C ATOM 1018 O ASN A 89 20.513 -0.544 -9.229 1.00 0.00 O ATOM 1019 CB ASN A 89 19.326 -0.515 -11.910 1.00 0.00 C ATOM 1020 CG ASN A 89 18.266 -1.563 -12.259 1.00 0.00 C ATOM 1021 OD1 ASN A 89 17.453 -1.958 -11.440 1.00 0.00 O ATOM 1022 ND2 ASN A 89 18.319 -1.986 -13.518 1.00 0.00 N ATOM 0 H ASN A 89 18.869 2.430 -10.456 1.00 0.00 H new ATOM 0 HA ASN A 89 17.788 0.464 -10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.520 0.114 -12.779 1.00 0.00 H new ATOM 0 HB3 ASN A 89 20.264 -1.011 -11.659 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.653 -2.683 -13.850 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.026 -1.613 -14.152 1.00 0.00 H new ATOM 1028 N GLY A 90 18.340 -0.654 -8.612 1.00 0.00 N ATOM 1029 CA GLY A 90 18.617 -1.309 -7.345 1.00 0.00 C ATOM 1030 C GLY A 90 17.528 -0.998 -6.316 1.00 0.00 C ATOM 1031 O GLY A 90 16.534 -1.717 -6.223 1.00 0.00 O ATOM 0 H GLY A 90 17.352 -0.475 -8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.683 -2.387 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.585 -0.981 -6.966 1.00 0.00 H new ATOM 1035 N ILE A 91 17.752 0.073 -5.570 1.00 0.00 N ATOM 1036 CA ILE A 91 16.803 0.489 -4.552 1.00 0.00 C ATOM 1037 C ILE A 91 17.330 1.741 -3.849 1.00 0.00 C ATOM 1038 O ILE A 91 18.135 1.645 -2.924 1.00 0.00 O ATOM 1039 CB ILE A 91 16.497 -0.670 -3.600 1.00 0.00 C ATOM 1040 CG1 ILE A 91 15.597 -0.212 -2.451 1.00 0.00 C ATOM 1041 CG2 ILE A 91 17.788 -1.317 -3.094 1.00 0.00 C ATOM 1042 CD1 ILE A 91 14.130 -0.531 -2.744 1.00 0.00 C ATOM 0 H ILE A 91 18.578 0.666 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 91 15.850 0.758 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 91 15.949 -1.433 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.902 -0.703 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.716 0.860 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.544 -2.138 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.359 -1.700 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.383 -0.575 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.511 -0.195 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.821 -0.019 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.011 -1.607 -2.874 1.00 0.00 H new ATOM 1053 N LYS A 92 16.855 2.887 -4.315 1.00 0.00 N ATOM 1054 CA LYS A 92 17.269 4.157 -3.742 1.00 0.00 C ATOM 1055 C LYS A 92 16.640 5.301 -4.540 1.00 0.00 C ATOM 1056 O LYS A 92 17.307 6.287 -4.848 1.00 0.00 O ATOM 1057 CB LYS A 92 18.794 4.233 -3.655 1.00 0.00 C ATOM 1058 CG LYS A 92 19.251 5.644 -3.277 1.00 0.00 C ATOM 1059 CD LYS A 92 19.888 6.352 -4.475 1.00 0.00 C ATOM 1060 CE LYS A 92 19.487 7.828 -4.516 1.00 0.00 C ATOM 1061 NZ LYS A 92 20.599 8.680 -4.038 1.00 0.00 N ATOM 0 H LYS A 92 16.188 2.963 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 92 16.910 4.248 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 92 19.156 3.519 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 92 19.231 3.949 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 92 18.399 6.222 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.968 5.591 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.973 6.268 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.579 5.862 -5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.217 8.110 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 92 18.605 7.989 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.311 9.679 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.838 8.422 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.431 8.539 -4.646 1.00 0.00 H new ATOM 1071 N TYR A 93 15.364 5.130 -4.854 1.00 0.00 N ATOM 1072 CA TYR A 93 14.638 6.135 -5.611 1.00 0.00 C ATOM 1073 C TYR A 93 13.917 7.109 -4.677 1.00 0.00 C ATOM 1074 O TYR A 93 14.307 7.271 -3.521 1.00 0.00 O ATOM 1075 CB TYR A 93 13.599 5.373 -6.436 1.00 0.00 C ATOM 1076 CG TYR A 93 13.649 5.679 -7.934 1.00 0.00 C ATOM 1077 CD1 TYR A 93 14.861 5.918 -8.550 1.00 0.00 C ATOM 1078 CD2 TYR A 93 12.482 5.714 -8.670 1.00 0.00 C ATOM 1079 CE1 TYR A 93 14.908 6.206 -9.960 1.00 0.00 C ATOM 1080 CE2 TYR A 93 12.529 6.001 -10.080 1.00 0.00 C ATOM 1081 CZ TYR A 93 13.740 6.232 -10.656 1.00 0.00 C ATOM 1082 OH TYR A 93 13.784 6.504 -11.987 1.00 0.00 O ATOM 0 H TYR A 93 14.814 4.310 -4.598 1.00 0.00 H new ATOM 0 HA TYR A 93 15.320 6.715 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 93 13.747 4.303 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 93 12.604 5.612 -6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.774 5.889 -7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 93 11.534 5.526 -8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 93 15.849 6.397 -10.454 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.623 6.032 -10.667 1.00 0.00 H new ATOM 0 HH TYR A 93 12.876 6.488 -12.354 1.00 0.00 H new ATOM 1091 N ASN A 94 12.877 7.733 -5.212 1.00 0.00 N ATOM 1092 CA ASN A 94 12.098 8.686 -4.442 1.00 0.00 C ATOM 1093 C ASN A 94 12.058 8.241 -2.978 1.00 0.00 C ATOM 1094 O ASN A 94 12.508 8.966 -2.093 1.00 0.00 O ATOM 1095 CB ASN A 94 10.657 8.761 -4.952 1.00 0.00 C ATOM 1096 CG ASN A 94 10.497 7.974 -6.255 1.00 0.00 C ATOM 1097 OD1 ASN A 94 10.494 8.523 -7.345 1.00 0.00 O ATOM 1098 ND2 ASN A 94 10.362 6.663 -6.083 1.00 0.00 N ATOM 0 H ASN A 94 12.556 7.596 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 94 12.568 9.664 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.979 8.364 -4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.378 9.802 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.247 6.052 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.373 6.268 -5.143 1.00 0.00 H new ATOM 1104 N THR A 95 11.515 7.050 -2.770 1.00 0.00 N ATOM 1105 CA THR A 95 11.411 6.500 -1.429 1.00 0.00 C ATOM 1106 C THR A 95 10.448 5.312 -1.414 1.00 0.00 C ATOM 1107 O THR A 95 10.634 4.368 -0.648 1.00 0.00 O ATOM 1108 CB THR A 95 10.996 7.631 -0.485 1.00 0.00 C ATOM 1109 OG1 THR A 95 10.247 6.974 0.534 1.00 0.00 O ATOM 1110 CG2 THR A 95 9.992 8.590 -1.126 1.00 0.00 C ATOM 0 H THR A 95 11.143 6.451 -3.507 1.00 0.00 H new ATOM 0 HA THR A 95 12.368 6.107 -1.087 1.00 0.00 H new ATOM 0 HB THR A 95 11.880 8.187 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.940 7.633 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.731 9.373 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.435 9.040 -2.014 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.093 8.041 -1.407 1.00 0.00 H new ATOM 1118 N THR A 96 9.439 5.397 -2.269 1.00 0.00 N ATOM 1119 CA THR A 96 8.446 4.341 -2.364 1.00 0.00 C ATOM 1120 C THR A 96 9.128 2.972 -2.431 1.00 0.00 C ATOM 1121 O THR A 96 8.660 2.011 -1.824 1.00 0.00 O ATOM 1122 CB THR A 96 7.555 4.636 -3.572 1.00 0.00 C ATOM 1123 OG1 THR A 96 8.467 4.727 -4.662 1.00 0.00 O ATOM 1124 CG2 THR A 96 6.917 6.025 -3.503 1.00 0.00 C ATOM 0 H THR A 96 9.288 6.182 -2.903 1.00 0.00 H new ATOM 0 HA THR A 96 7.814 4.311 -1.476 1.00 0.00 H new ATOM 0 HB THR A 96 6.773 3.880 -3.639 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.973 4.915 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.295 6.184 -4.384 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.302 6.099 -2.606 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.699 6.783 -3.470 1.00 0.00 H new ATOM 1132 N ARG A 97 10.223 2.929 -3.176 1.00 0.00 N ATOM 1133 CA ARG A 97 10.973 1.695 -3.332 1.00 0.00 C ATOM 1134 C ARG A 97 10.118 0.638 -4.033 1.00 0.00 C ATOM 1135 O ARG A 97 8.928 0.849 -4.261 1.00 0.00 O ATOM 1136 CB ARG A 97 11.430 1.153 -1.976 1.00 0.00 C ATOM 1137 CG ARG A 97 12.652 1.919 -1.463 1.00 0.00 C ATOM 1138 CD ARG A 97 12.973 1.535 -0.018 1.00 0.00 C ATOM 1139 NE ARG A 97 12.903 2.730 0.851 1.00 0.00 N ATOM 1140 CZ ARG A 97 13.282 2.748 2.137 1.00 0.00 C ATOM 1141 NH1 ARG A 97 13.759 1.635 2.710 1.00 0.00 N ATOM 1142 NH2 ARG A 97 13.183 3.878 2.849 1.00 0.00 N ATOM 0 H ARG A 97 10.608 3.729 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 97 11.852 1.916 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.617 1.234 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.672 0.094 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.512 1.707 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.466 2.991 -1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.269 0.780 0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.968 1.093 0.037 1.00 0.00 H new ATOM 0 HE ARG A 97 12.544 3.595 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.834 0.774 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.047 1.648 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.819 4.725 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.471 3.891 3.827 1.00 0.00 H new ATOM 1153 N ASN A 98 10.758 -0.477 -4.356 1.00 0.00 N ATOM 1154 CA ASN A 98 10.071 -1.567 -5.026 1.00 0.00 C ATOM 1155 C ASN A 98 8.672 -1.728 -4.428 1.00 0.00 C ATOM 1156 O ASN A 98 8.478 -1.526 -3.230 1.00 0.00 O ATOM 1157 CB ASN A 98 10.819 -2.889 -4.838 1.00 0.00 C ATOM 1158 CG ASN A 98 11.201 -3.098 -3.372 1.00 0.00 C ATOM 1159 OD1 ASN A 98 12.332 -2.891 -2.962 1.00 0.00 O ATOM 1160 ND2 ASN A 98 10.198 -3.520 -2.606 1.00 0.00 N ATOM 0 H ASN A 98 11.745 -0.648 -4.166 1.00 0.00 H new ATOM 0 HA ASN A 98 10.019 -1.329 -6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.194 -3.716 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.717 -2.894 -5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.352 -3.690 -1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.275 -3.674 -3.013 1.00 0.00 H new ATOM 1166 N ALA A 99 7.732 -2.086 -5.291 1.00 0.00 N ATOM 1167 CA ALA A 99 6.356 -2.274 -4.862 1.00 0.00 C ATOM 1168 C ALA A 99 5.453 -2.376 -6.093 1.00 0.00 C ATOM 1169 O ALA A 99 5.365 -1.437 -6.882 1.00 0.00 O ATOM 1170 CB ALA A 99 5.949 -1.129 -3.933 1.00 0.00 C ATOM 0 H ALA A 99 7.896 -2.251 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 99 6.253 -3.202 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.917 -1.270 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.603 -1.118 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.037 -0.181 -4.464 1.00 0.00 H new ATOM 1176 N TYR A 100 4.805 -3.525 -6.219 1.00 0.00 N ATOM 1177 CA TYR A 100 3.911 -3.761 -7.339 1.00 0.00 C ATOM 1178 C TYR A 100 2.598 -4.393 -6.871 1.00 0.00 C ATOM 1179 O TYR A 100 2.590 -5.198 -5.942 1.00 0.00 O ATOM 1180 CB TYR A 100 4.638 -4.746 -8.258 1.00 0.00 C ATOM 1181 CG TYR A 100 5.259 -5.937 -7.525 1.00 0.00 C ATOM 1182 CD1 TYR A 100 4.473 -7.011 -7.163 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.607 -5.936 -7.227 1.00 0.00 C ATOM 1184 CE1 TYR A 100 5.057 -8.132 -6.473 1.00 0.00 C ATOM 1185 CE2 TYR A 100 7.191 -7.057 -6.537 1.00 0.00 C ATOM 1186 CZ TYR A 100 6.388 -8.100 -6.195 1.00 0.00 C ATOM 1187 OH TYR A 100 6.941 -9.158 -5.544 1.00 0.00 O ATOM 0 H TYR A 100 4.882 -4.303 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 100 3.667 -2.824 -7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.936 -5.118 -9.004 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.423 -4.214 -8.796 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.419 -7.011 -7.397 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.223 -5.095 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.452 -8.978 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.244 -7.069 -6.296 1.00 0.00 H new ATOM 0 HH TYR A 100 6.614 -9.181 -4.621 1.00 0.00 H new ATOM 1196 N ARG A 101 1.521 -4.004 -7.538 1.00 0.00 N ATOM 1197 CA ARG A 101 0.206 -4.522 -7.201 1.00 0.00 C ATOM 1198 C ARG A 101 -0.541 -4.938 -8.470 1.00 0.00 C ATOM 1199 O ARG A 101 -0.668 -4.150 -9.406 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.622 -3.478 -6.449 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.578 -3.727 -4.940 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.750 -3.039 -4.237 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.415 -3.988 -3.317 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.321 -3.631 -2.396 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -3.674 -2.346 -2.266 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.873 -4.561 -1.604 1.00 0.00 N ATOM 0 H ARG A 101 1.532 -3.337 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 101 0.347 -5.390 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.241 -2.480 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.655 -3.509 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.610 -4.799 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.363 -3.356 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.393 -2.171 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.464 -2.674 -4.975 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.169 -4.975 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.253 -1.638 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.364 -2.075 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.603 -5.540 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.562 -4.290 -0.903 1.00 0.00 H new ATOM 1217 N GLU A 102 -1.016 -6.174 -8.460 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.748 -6.705 -9.599 1.00 0.00 C ATOM 1219 C GLU A 102 -3.237 -6.383 -9.468 1.00 0.00 C ATOM 1220 O GLU A 102 -3.794 -6.438 -8.372 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.521 -8.211 -9.742 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.946 -8.953 -8.474 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.806 -9.823 -7.940 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.154 -9.231 -7.399 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.918 -11.059 -8.085 1.00 0.00 O ATOM 0 H GLU A 102 -0.909 -6.824 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.372 -6.228 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.086 -8.588 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.468 -8.406 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.248 -8.235 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.815 -9.576 -8.687 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.841 -6.056 -10.602 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.256 -5.726 -10.627 1.00 0.00 C ATOM 1232 C CYS A 103 -6.015 -6.913 -11.225 1.00 0.00 C ATOM 1233 O CYS A 103 -5.877 -7.208 -12.412 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.521 -4.431 -11.400 1.00 0.00 C ATOM 1235 SG CYS A 103 -5.521 -2.914 -10.377 1.00 0.00 S ATOM 0 H CYS A 103 -3.376 -6.013 -11.509 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.608 -5.545 -9.612 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.765 -4.328 -12.178 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.485 -4.514 -11.901 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.799 -7.561 -10.377 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.580 -8.709 -10.806 1.00 0.00 C ATOM 1241 C LEU A 104 -8.603 -8.261 -11.852 1.00 0.00 C ATOM 1242 O LEU A 104 -8.880 -7.070 -11.985 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.201 -9.415 -9.600 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.620 -10.787 -9.253 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.318 -11.895 -10.044 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -6.103 -10.807 -9.457 1.00 0.00 C ATOM 0 H LEU A 104 -6.911 -7.313 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.939 -9.450 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.094 -8.767 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.269 -9.531 -9.782 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.807 -10.979 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.886 -12.860 -9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.382 -11.896 -9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.185 -11.719 -11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.715 -11.793 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.873 -10.583 -10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.640 -10.058 -8.814 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.138 -9.240 -12.567 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.125 -8.962 -13.596 1.00 0.00 C ATOM 1259 C GLU A 105 -11.489 -8.687 -12.962 1.00 0.00 C ATOM 1260 O GLU A 105 -12.470 -8.452 -13.669 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.209 -10.113 -14.601 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.417 -9.588 -16.022 1.00 0.00 C ATOM 1263 CD GLU A 105 -11.218 -10.583 -16.863 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.977 -11.797 -16.689 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -12.055 -10.108 -17.662 1.00 0.00 O ATOM 0 H GLU A 105 -8.906 -10.227 -12.454 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.813 -8.071 -14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.294 -10.705 -14.559 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.031 -10.777 -14.331 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.940 -8.632 -15.987 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.450 -9.406 -16.491 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.510 -8.724 -11.638 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.738 -8.481 -10.902 1.00 0.00 C ATOM 1272 C ASN A 106 -12.804 -7.006 -10.499 1.00 0.00 C ATOM 1273 O ASN A 106 -13.792 -6.561 -9.917 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.791 -9.323 -9.624 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.215 -9.803 -9.342 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.024 -9.113 -8.743 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.477 -11.022 -9.806 1.00 0.00 N ATOM 0 H ASN A 106 -10.695 -8.919 -11.056 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.575 -8.750 -11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.127 -10.182 -9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.428 -8.734 -8.781 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.401 -11.432 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.754 -11.546 -10.299 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.739 -6.289 -10.826 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.663 -4.874 -10.506 1.00 0.00 C ATOM 1285 C GLY A 107 -11.241 -4.662 -9.051 1.00 0.00 C ATOM 1286 O GLY A 107 -11.804 -3.821 -8.353 1.00 0.00 O ATOM 0 H GLY A 107 -10.922 -6.662 -11.309 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.950 -4.385 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.632 -4.406 -10.679 1.00 0.00 H new ATOM 1290 N THR A 108 -10.254 -5.442 -8.635 1.00 0.00 N ATOM 1291 CA THR A 108 -9.750 -5.352 -7.275 1.00 0.00 C ATOM 1292 C THR A 108 -8.222 -5.283 -7.276 1.00 0.00 C ATOM 1293 O THR A 108 -7.583 -5.597 -8.279 1.00 0.00 O ATOM 1294 CB THR A 108 -10.304 -6.539 -6.485 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.887 -7.679 -7.232 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.832 -6.607 -6.524 1.00 0.00 C ATOM 0 H THR A 108 -9.790 -6.140 -9.216 1.00 0.00 H new ATOM 0 HA THR A 108 -10.085 -4.436 -6.789 1.00 0.00 H new ATOM 0 HB THR A 108 -9.970 -6.473 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.203 -8.494 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.173 -7.467 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.248 -5.695 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.166 -6.707 -7.557 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.679 -4.869 -6.141 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.238 -4.755 -5.998 1.00 0.00 C ATOM 1306 C TRP A 109 -5.700 -6.109 -5.529 1.00 0.00 C ATOM 1307 O TRP A 109 -6.443 -7.087 -5.463 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.869 -3.607 -5.055 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.700 -2.257 -5.755 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.348 -1.111 -5.505 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.795 -1.958 -6.838 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.928 -0.099 -6.343 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.954 -0.630 -7.180 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.872 -2.781 -7.507 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.224 -0.009 -8.201 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.151 -2.145 -8.525 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.298 -0.810 -8.881 1.00 0.00 C ATOM 0 H TRP A 109 -8.212 -4.608 -5.311 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.775 -4.508 -6.953 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.642 -3.515 -4.292 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.941 -3.857 -4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.104 -0.994 -4.743 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.269 0.862 -6.347 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.730 -3.822 -7.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.367 1.032 -8.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.430 -2.734 -9.072 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.701 -0.392 -9.678 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.413 -6.123 -5.216 1.00 0.00 N ATOM 1328 CA ALA A 110 -3.767 -7.340 -4.756 1.00 0.00 C ATOM 1329 C ALA A 110 -3.840 -7.405 -3.228 1.00 0.00 C ATOM 1330 O ALA A 110 -4.643 -6.707 -2.612 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.328 -7.383 -5.273 1.00 0.00 C ATOM 0 H ALA A 110 -3.800 -5.310 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.280 -8.218 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.844 -8.297 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.332 -7.365 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.781 -6.518 -4.898 1.00 0.00 H new ATOM 1337 N SER A 111 -2.989 -8.248 -2.663 1.00 0.00 N ATOM 1338 CA SER A 111 -2.946 -8.412 -1.220 1.00 0.00 C ATOM 1339 C SER A 111 -2.369 -7.156 -0.566 1.00 0.00 C ATOM 1340 O SER A 111 -2.969 -6.595 0.348 1.00 0.00 O ATOM 1341 CB SER A 111 -2.122 -9.641 -0.830 1.00 0.00 C ATOM 1342 OG SER A 111 -0.748 -9.495 -1.179 1.00 0.00 O ATOM 0 H SER A 111 -2.324 -8.825 -3.178 1.00 0.00 H new ATOM 0 HA SER A 111 -3.965 -8.563 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.208 -9.809 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.530 -10.523 -1.324 1.00 0.00 H new ATOM 0 HG SER A 111 -0.255 -10.299 -0.912 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.208 -6.751 -1.062 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.542 -5.570 -0.538 1.00 0.00 C ATOM 1349 C ARG A 112 0.761 -5.313 -1.299 1.00 0.00 C ATOM 1350 O ARG A 112 1.643 -6.170 -1.333 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.232 -5.729 0.952 1.00 0.00 C ATOM 1352 CG ARG A 112 -1.056 -4.751 1.791 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.630 -5.441 3.030 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.532 -5.971 3.869 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.130 -7.249 3.861 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -0.733 -8.136 3.056 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.875 -7.641 4.656 1.00 0.00 N ATOM 0 H ARG A 112 -0.712 -7.219 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.216 -4.723 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.446 -6.751 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.830 -5.558 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.431 -3.911 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.868 -4.343 1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.229 -4.735 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.293 -6.252 2.730 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.051 -5.323 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.497 -7.838 2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.427 -9.109 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.334 -6.966 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.181 -8.614 4.649 1.00 0.00 H new ATOM 1368 N VAL A 113 0.839 -4.131 -1.892 1.00 0.00 N ATOM 1369 CA VAL A 113 2.018 -3.751 -2.650 1.00 0.00 C ATOM 1370 C VAL A 113 3.269 -4.036 -1.817 1.00 0.00 C ATOM 1371 O VAL A 113 3.170 -4.485 -0.675 1.00 0.00 O ATOM 1372 CB VAL A 113 1.911 -2.289 -3.087 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.587 -1.363 -2.074 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.495 -2.090 -4.488 1.00 0.00 C ATOM 0 H VAL A 113 0.104 -3.424 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 113 2.093 -4.344 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 113 0.853 -2.028 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.496 -0.330 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.105 -1.473 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.641 -1.626 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.406 -1.042 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.546 -2.378 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.949 -2.708 -5.201 1.00 0.00 H new ATOM 1384 N ASN A 114 4.417 -3.762 -2.419 1.00 0.00 N ATOM 1385 CA ASN A 114 5.686 -3.983 -1.745 1.00 0.00 C ATOM 1386 C ASN A 114 6.166 -5.409 -2.028 1.00 0.00 C ATOM 1387 O ASN A 114 5.960 -5.932 -3.121 1.00 0.00 O ATOM 1388 CB ASN A 114 5.541 -3.824 -0.231 1.00 0.00 C ATOM 1389 CG ASN A 114 6.846 -3.327 0.396 1.00 0.00 C ATOM 1390 OD1 ASN A 114 7.933 -3.762 0.055 1.00 0.00 O ATOM 1391 ND2 ASN A 114 6.678 -2.393 1.327 1.00 0.00 N ATOM 0 H ASN A 114 4.495 -3.389 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 114 6.399 -3.247 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.737 -3.122 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.260 -4.779 0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.488 -1.996 1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.739 -2.073 1.565 1.00 0.00 H new ATOM 1397 N TYR A 115 6.798 -5.995 -1.021 1.00 0.00 N ATOM 1398 CA TYR A 115 7.309 -7.350 -1.146 1.00 0.00 C ATOM 1399 C TYR A 115 7.814 -7.615 -2.566 1.00 0.00 C ATOM 1400 O TYR A 115 7.048 -8.029 -3.435 1.00 0.00 O ATOM 1401 CB TYR A 115 6.126 -8.275 -0.857 1.00 0.00 C ATOM 1402 CG TYR A 115 5.092 -8.333 -1.983 1.00 0.00 C ATOM 1403 CD1 TYR A 115 4.165 -7.319 -2.122 1.00 0.00 C ATOM 1404 CD2 TYR A 115 5.085 -9.398 -2.860 1.00 0.00 C ATOM 1405 CE1 TYR A 115 3.191 -7.374 -3.181 1.00 0.00 C ATOM 1406 CE2 TYR A 115 4.111 -9.453 -3.920 1.00 0.00 C ATOM 1407 CZ TYR A 115 3.212 -8.438 -4.028 1.00 0.00 C ATOM 1408 OH TYR A 115 2.292 -8.489 -5.029 1.00 0.00 O ATOM 0 H TYR A 115 6.968 -5.557 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 115 8.142 -7.512 -0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.502 -9.281 -0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.634 -7.944 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.171 -6.485 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.810 -10.191 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.460 -6.588 -3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.095 -10.281 -4.613 1.00 0.00 H new ATOM 0 HH TYR A 115 2.718 -8.247 -5.878 1.00 0.00 H new ATOM 1417 N SER A 116 9.102 -7.367 -2.759 1.00 0.00 N ATOM 1418 CA SER A 116 9.718 -7.574 -4.058 1.00 0.00 C ATOM 1419 C SER A 116 10.881 -8.561 -3.934 1.00 0.00 C ATOM 1420 O SER A 116 10.795 -9.690 -4.414 1.00 0.00 O ATOM 1421 CB SER A 116 10.206 -6.251 -4.653 1.00 0.00 C ATOM 1422 OG SER A 116 11.344 -5.743 -3.964 1.00 0.00 O ATOM 0 H SER A 116 9.735 -7.024 -2.037 1.00 0.00 H new ATOM 0 HA SER A 116 8.967 -7.989 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.454 -6.396 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 116 9.401 -5.517 -4.614 1.00 0.00 H new ATOM 0 HG SER A 116 11.977 -5.367 -4.611 1.00 0.00 H new ATOM 1427 N HIS A 117 11.941 -8.099 -3.287 1.00 0.00 N ATOM 1428 CA HIS A 117 13.119 -8.926 -3.094 1.00 0.00 C ATOM 1429 C HIS A 117 13.957 -8.935 -4.374 1.00 0.00 C ATOM 1430 O HIS A 117 14.882 -9.733 -4.510 1.00 0.00 O ATOM 1431 CB HIS A 117 12.727 -10.331 -2.633 1.00 0.00 C ATOM 1432 CG HIS A 117 11.640 -10.353 -1.584 1.00 0.00 C ATOM 1433 ND1 HIS A 117 11.909 -10.321 -0.227 1.00 0.00 N ATOM 1434 CD2 HIS A 117 10.283 -10.403 -1.708 1.00 0.00 C ATOM 1435 CE1 HIS A 117 10.757 -10.352 0.427 1.00 0.00 C ATOM 1436 NE2 HIS A 117 9.750 -10.403 -0.492 1.00 0.00 N ATOM 0 H HIS A 117 12.008 -7.162 -2.890 1.00 0.00 H new ATOM 0 HA HIS A 117 13.736 -8.505 -2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 117 12.395 -10.906 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.610 -10.832 -2.237 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.735 -10.437 -2.638 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.636 -10.339 1.500 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.753 -10.436 -0.280 1.00 0.00 H new ATOM 1443 N CYS A 118 13.601 -8.036 -5.281 1.00 0.00 N ATOM 1444 CA CYS A 118 14.308 -7.929 -6.546 1.00 0.00 C ATOM 1445 C CYS A 118 15.777 -7.619 -6.251 1.00 0.00 C ATOM 1446 O CYS A 118 16.671 -8.321 -6.723 1.00 0.00 O ATOM 1447 CB CYS A 118 13.675 -6.879 -7.460 1.00 0.00 C ATOM 1448 SG CYS A 118 14.838 -5.621 -8.104 1.00 0.00 S ATOM 0 H CYS A 118 12.832 -7.376 -5.165 1.00 0.00 H new ATOM 0 HA CYS A 118 14.239 -8.874 -7.085 1.00 0.00 H new ATOM 0 HB2 CYS A 118 13.207 -7.387 -8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.880 -6.372 -6.912 1.00 0.00 H new ATOM 1452 N GLU A 119 15.981 -6.567 -5.472 1.00 0.00 N ATOM 1453 CA GLU A 119 17.327 -6.155 -5.108 1.00 0.00 C ATOM 1454 C GLU A 119 17.327 -5.513 -3.720 1.00 0.00 C ATOM 1455 O GLU A 119 17.051 -4.322 -3.583 1.00 0.00 O ATOM 1456 CB GLU A 119 17.909 -5.203 -6.154 1.00 0.00 C ATOM 1457 CG GLU A 119 18.765 -5.963 -7.170 1.00 0.00 C ATOM 1458 CD GLU A 119 19.248 -5.032 -8.284 1.00 0.00 C ATOM 1459 OE1 GLU A 119 20.305 -4.397 -8.074 1.00 0.00 O ATOM 1460 OE2 GLU A 119 18.550 -4.976 -9.319 1.00 0.00 O ATOM 0 H GLU A 119 15.237 -5.987 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 119 17.963 -7.040 -5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.100 -4.685 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.513 -4.441 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.623 -6.410 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.186 -6.781 -7.600 1.00 0.00 H new ATOM 1465 N PRO A 120 17.650 -6.351 -2.698 1.00 0.00 N ATOM 1466 CA PRO A 120 17.691 -5.876 -1.325 1.00 0.00 C ATOM 1467 C PRO A 120 18.942 -5.033 -1.073 1.00 0.00 C ATOM 1468 O PRO A 120 19.999 -5.567 -0.744 1.00 0.00 O ATOM 1469 CB PRO A 120 17.641 -7.134 -0.473 1.00 0.00 C ATOM 1470 CG PRO A 120 18.042 -8.276 -1.393 1.00 0.00 C ATOM 1471 CD PRO A 120 17.983 -7.767 -2.823 1.00 0.00 C ATOM 0 HA PRO A 120 16.860 -5.213 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.321 -7.059 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.642 -7.292 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.047 -8.624 -1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.371 -9.125 -1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.936 -7.906 -3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.230 -8.301 -3.403 1.00 0.00 H new ATOM 1476 N ILE A 121 18.779 -3.728 -1.239 1.00 0.00 N ATOM 1477 CA ILE A 121 19.883 -2.805 -1.034 1.00 0.00 C ATOM 1478 C ILE A 121 21.189 -3.472 -1.471 1.00 0.00 C ATOM 1479 O ILE A 121 22.165 -3.483 -0.723 1.00 0.00 O ATOM 1480 CB ILE A 121 19.902 -2.306 0.413 1.00 0.00 C ATOM 1481 CG1 ILE A 121 20.476 -0.890 0.497 1.00 0.00 C ATOM 1482 CG2 ILE A 121 20.653 -3.283 1.320 1.00 0.00 C ATOM 1483 CD1 ILE A 121 19.695 0.072 -0.400 1.00 0.00 C ATOM 0 H ILE A 121 17.900 -3.289 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 121 19.756 -1.917 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 121 18.874 -2.259 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.441 -0.540 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 121 21.524 -0.900 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 121 20.652 -2.905 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.162 -4.256 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.681 -3.385 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.123 1.071 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 121 19.752 -0.267 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.652 0.099 -0.084 1.00 0.00 H new ATOM 1494 N LEU A 122 21.163 -4.011 -2.681 1.00 0.00 N ATOM 1495 CA LEU A 122 22.333 -4.679 -3.228 1.00 0.00 C ATOM 1496 C LEU A 122 23.431 -3.645 -3.483 1.00 0.00 C ATOM 1497 O LEU A 122 23.147 -2.520 -3.891 1.00 0.00 O ATOM 1498 CB LEU A 122 21.955 -5.493 -4.466 1.00 0.00 C ATOM 1499 CG LEU A 122 22.465 -6.935 -4.502 1.00 0.00 C ATOM 1500 CD1 LEU A 122 21.345 -7.903 -4.888 1.00 0.00 C ATOM 1501 CD2 LEU A 122 23.678 -7.065 -5.425 1.00 0.00 C ATOM 0 H LEU A 122 20.351 -3.999 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 122 22.731 -5.398 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 122 20.868 -5.511 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.332 -4.973 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 122 22.794 -7.206 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.734 -8.921 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.538 -7.836 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 122 20.963 -7.643 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.020 -8.100 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.399 -6.768 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 122 24.480 -6.420 -5.065 1.00 0.00 H new ATOM 1512 N ASP A 123 24.663 -4.064 -3.232 1.00 0.00 N ATOM 1513 CA ASP A 123 25.806 -3.189 -3.429 1.00 0.00 C ATOM 1514 C ASP A 123 26.968 -3.671 -2.559 1.00 0.00 C ATOM 1515 O ASP A 123 26.912 -3.579 -1.334 1.00 0.00 O ATOM 1516 CB ASP A 123 25.475 -1.751 -3.022 1.00 0.00 C ATOM 1517 CG ASP A 123 26.684 -0.891 -2.645 1.00 0.00 C ATOM 1518 OD1 ASP A 123 27.632 -0.858 -3.459 1.00 0.00 O ATOM 1519 OD2 ASP A 123 26.633 -0.289 -1.553 1.00 0.00 O ATOM 0 H ASP A 123 24.894 -4.998 -2.894 1.00 0.00 H new ATOM 0 HA ASP A 123 26.071 -3.213 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 123 24.947 -1.269 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 123 24.789 -1.778 -2.175 1.00 0.00 H new ATOM 1523 N ASP A 124 27.996 -4.175 -3.228 1.00 0.00 N ATOM 1524 CA ASP A 124 29.170 -4.672 -2.530 1.00 0.00 C ATOM 1525 C ASP A 124 28.775 -5.873 -1.668 1.00 0.00 C ATOM 1526 O ASP A 124 28.209 -5.708 -0.589 1.00 0.00 O ATOM 1527 CB ASP A 124 29.759 -3.602 -1.610 1.00 0.00 C ATOM 1528 CG ASP A 124 31.020 -2.916 -2.138 1.00 0.00 C ATOM 1529 OD1 ASP A 124 30.986 -2.495 -3.314 1.00 0.00 O ATOM 1530 OD2 ASP A 124 31.989 -2.828 -1.353 1.00 0.00 O ATOM 0 H ASP A 124 28.040 -4.250 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 124 29.913 -4.952 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 124 28.999 -2.842 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 124 29.988 -4.059 -0.647 1.00 0.00 H new ATOM 1534 N LYS A 125 29.092 -7.055 -2.177 1.00 0.00 N ATOM 1535 CA LYS A 125 28.778 -8.284 -1.466 1.00 0.00 C ATOM 1536 C LYS A 125 29.739 -9.386 -1.914 1.00 0.00 C ATOM 1537 O LYS A 125 30.801 -9.103 -2.465 1.00 0.00 O ATOM 1538 CB LYS A 125 27.301 -8.644 -1.645 1.00 0.00 C ATOM 1539 CG LYS A 125 26.630 -8.891 -0.293 1.00 0.00 C ATOM 1540 CD LYS A 125 25.173 -9.321 -0.475 1.00 0.00 C ATOM 1541 CE LYS A 125 24.967 -10.766 -0.017 1.00 0.00 C ATOM 1542 NZ LYS A 125 23.923 -11.426 -0.834 1.00 0.00 N ATOM 0 H LYS A 125 29.562 -7.188 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 125 28.922 -8.152 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 125 26.787 -7.838 -2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 125 27.213 -9.535 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 125 27.175 -9.662 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 125 26.673 -7.984 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 125 24.521 -8.659 0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 125 24.890 -9.224 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 125 25.904 -11.317 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 125 24.679 -10.783 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 23.796 -12.406 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 23.026 -10.909 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 24.213 -11.427 -1.833 1.00 0.00 H new ATOM 1552 N GLN A 126 29.330 -10.622 -1.662 1.00 0.00 N ATOM 1553 CA GLN A 126 30.141 -11.769 -2.033 1.00 0.00 C ATOM 1554 C GLN A 126 31.627 -11.435 -1.893 1.00 0.00 C ATOM 1555 O GLN A 126 32.258 -10.984 -2.848 1.00 0.00 O ATOM 1556 CB GLN A 126 29.815 -12.234 -3.454 1.00 0.00 C ATOM 1557 CG GLN A 126 29.173 -13.624 -3.442 1.00 0.00 C ATOM 1558 CD GLN A 126 28.067 -13.707 -2.388 1.00 0.00 C ATOM 1559 OE1 GLN A 126 27.157 -12.896 -2.339 1.00 0.00 O ATOM 1560 NE2 GLN A 126 28.196 -14.732 -1.549 1.00 0.00 N ATOM 0 H GLN A 126 28.448 -10.853 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 126 29.907 -12.590 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 126 29.140 -11.522 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 126 30.726 -12.255 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 126 28.760 -13.847 -4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 126 29.933 -14.378 -3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 126 28.982 -15.374 -1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 126 27.508 -14.875 -0.809 1.00 0.00 H new ATOM 1567 N ARG A 127 32.144 -11.669 -0.696 1.00 0.00 N ATOM 1568 CA ARG A 127 33.544 -11.399 -0.418 1.00 0.00 C ATOM 1569 C ARG A 127 34.179 -12.586 0.308 1.00 0.00 C ATOM 1570 O ARG A 127 33.721 -12.980 1.380 1.00 0.00 O ATOM 1571 CB ARG A 127 33.703 -10.141 0.438 1.00 0.00 C ATOM 1572 CG ARG A 127 32.790 -10.193 1.664 1.00 0.00 C ATOM 1573 CD ARG A 127 33.541 -9.760 2.925 1.00 0.00 C ATOM 1574 NE ARG A 127 32.870 -8.593 3.538 1.00 0.00 N ATOM 1575 CZ ARG A 127 33.124 -8.144 4.775 1.00 0.00 C ATOM 1576 NH1 ARG A 127 34.037 -8.761 5.537 1.00 0.00 N ATOM 1577 NH2 ARG A 127 32.466 -7.077 5.249 1.00 0.00 N ATOM 0 H ARG A 127 31.617 -12.043 0.093 1.00 0.00 H new ATOM 0 HA ARG A 127 34.047 -11.241 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 127 34.741 -10.043 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 127 33.468 -9.259 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 127 31.929 -9.544 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 127 32.407 -11.205 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 127 33.578 -10.584 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 127 34.572 -9.508 2.676 1.00 0.00 H new ATOM 0 HE ARG A 127 32.170 -8.099 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 127 34.539 -9.572 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 127 34.230 -8.419 6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 127 31.772 -6.607 4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 127 32.659 -6.735 6.190 1.00 0.00 H new ATOM 1588 N LYS A 128 35.225 -13.123 -0.303 1.00 0.00 N ATOM 1589 CA LYS A 128 35.928 -14.257 0.272 1.00 0.00 C ATOM 1590 C LYS A 128 37.413 -14.165 -0.083 1.00 0.00 C ATOM 1591 O LYS A 128 37.871 -13.143 -0.594 1.00 0.00 O ATOM 1592 CB LYS A 128 35.272 -15.570 -0.161 1.00 0.00 C ATOM 1593 CG LYS A 128 35.535 -15.851 -1.642 1.00 0.00 C ATOM 1594 CD LYS A 128 36.310 -17.158 -1.823 1.00 0.00 C ATOM 1595 CE LYS A 128 35.365 -18.360 -1.831 1.00 0.00 C ATOM 1596 NZ LYS A 128 35.031 -18.766 -0.447 1.00 0.00 N ATOM 0 H LYS A 128 35.603 -12.793 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 128 35.858 -14.236 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 128 35.659 -16.391 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 128 34.198 -15.521 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 128 34.588 -15.908 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 128 36.099 -15.026 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 128 36.871 -17.126 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 128 37.037 -17.268 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 128 34.453 -18.110 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 128 35.831 -19.193 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 34.623 -19.723 -0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 35.894 -18.762 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 34.341 -18.099 -0.046 1.00 0.00 H new ATOM 1606 N TYR A 129 38.126 -15.245 0.200 1.00 0.00 N ATOM 1607 CA TYR A 129 39.549 -15.299 -0.084 1.00 0.00 C ATOM 1608 C TYR A 129 40.298 -14.189 0.658 1.00 0.00 C ATOM 1609 O TYR A 129 39.736 -13.131 0.929 1.00 0.00 O ATOM 1610 CB TYR A 129 39.688 -15.073 -1.590 1.00 0.00 C ATOM 1611 CG TYR A 129 41.067 -15.431 -2.149 1.00 0.00 C ATOM 1612 CD1 TYR A 129 41.412 -16.752 -2.343 1.00 0.00 C ATOM 1613 CD2 TYR A 129 41.965 -14.430 -2.459 1.00 0.00 C ATOM 1614 CE1 TYR A 129 42.709 -17.089 -2.868 1.00 0.00 C ATOM 1615 CE2 TYR A 129 43.264 -14.767 -2.984 1.00 0.00 C ATOM 1616 CZ TYR A 129 43.571 -16.079 -3.164 1.00 0.00 C ATOM 1617 OH TYR A 129 44.797 -16.397 -3.660 1.00 0.00 O ATOM 0 H TYR A 129 37.744 -16.090 0.624 1.00 0.00 H new ATOM 0 HA TYR A 129 39.968 -16.253 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 129 38.933 -15.665 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 129 39.478 -14.026 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 129 40.708 -17.535 -2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 129 41.695 -13.395 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 129 42.991 -18.120 -3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 129 43.978 -13.994 -3.229 1.00 0.00 H new ATOM 0 HH TYR A 129 45.306 -15.576 -3.826 1.00 0.00 H new ATOM 1626 N ASP A 130 41.556 -14.471 0.964 1.00 0.00 N ATOM 1627 CA ASP A 130 42.388 -13.511 1.668 1.00 0.00 C ATOM 1628 C ASP A 130 43.595 -14.232 2.271 1.00 0.00 C ATOM 1629 O ASP A 130 43.624 -15.461 2.324 1.00 0.00 O ATOM 1630 CB ASP A 130 41.616 -12.846 2.809 1.00 0.00 C ATOM 1631 CG ASP A 130 40.647 -13.764 3.556 1.00 0.00 C ATOM 1632 OD1 ASP A 130 40.825 -14.995 3.434 1.00 0.00 O ATOM 1633 OD2 ASP A 130 39.751 -13.215 4.232 1.00 0.00 O ATOM 0 H ASP A 130 42.019 -15.351 0.737 1.00 0.00 H new ATOM 0 HA ASP A 130 42.703 -12.750 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 130 42.332 -12.440 3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 130 41.056 -12.003 2.405 1.00 0.00 H new ATOM 1637 N LEU A 131 44.560 -13.438 2.710 1.00 0.00 N ATOM 1638 CA LEU A 131 45.766 -13.987 3.308 1.00 0.00 C ATOM 1639 C LEU A 131 45.491 -14.339 4.770 1.00 0.00 C ATOM 1640 O LEU A 131 44.754 -13.630 5.455 1.00 0.00 O ATOM 1641 CB LEU A 131 46.942 -13.027 3.117 1.00 0.00 C ATOM 1642 CG LEU A 131 47.103 -11.942 4.183 1.00 0.00 C ATOM 1643 CD1 LEU A 131 48.106 -12.371 5.256 1.00 0.00 C ATOM 1644 CD2 LEU A 131 47.479 -10.601 3.549 1.00 0.00 C ATOM 0 H LEU A 131 44.532 -12.419 2.664 1.00 0.00 H new ATOM 0 HA LEU A 131 46.053 -14.911 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 131 47.861 -13.612 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 131 46.835 -12.542 2.147 1.00 0.00 H new ATOM 0 HG LEU A 131 46.142 -11.805 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 131 48.201 -11.581 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 131 47.756 -13.284 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 131 49.077 -12.554 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 131 47.587 -9.847 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 131 48.421 -10.704 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 131 46.697 -10.295 2.855 1.00 0.00 H new ATOM 1655 N HIS A 132 46.097 -15.433 5.207 1.00 0.00 N ATOM 1656 CA HIS A 132 45.926 -15.887 6.576 1.00 0.00 C ATOM 1657 C HIS A 132 46.788 -17.128 6.817 1.00 0.00 C ATOM 1658 O HIS A 132 47.127 -17.845 5.876 1.00 0.00 O ATOM 1659 CB HIS A 132 44.448 -16.123 6.891 1.00 0.00 C ATOM 1660 CG HIS A 132 43.881 -15.178 7.923 1.00 0.00 C ATOM 1661 ND1 HIS A 132 44.400 -15.065 9.201 1.00 0.00 N ATOM 1662 CD2 HIS A 132 42.836 -14.304 7.853 1.00 0.00 C ATOM 1663 CE1 HIS A 132 43.692 -14.161 9.861 1.00 0.00 C ATOM 1664 NE2 HIS A 132 42.723 -13.691 9.025 1.00 0.00 N ATOM 0 H HIS A 132 46.707 -16.018 4.637 1.00 0.00 H new ATOM 0 HA HIS A 132 46.265 -15.112 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 132 43.871 -16.028 5.971 1.00 0.00 H new ATOM 0 HB3 HIS A 132 44.321 -17.147 7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 132 42.207 -14.139 6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 132 43.854 -13.850 10.883 1.00 0.00 H new ATOM 0 HE2 HIS A 132 42.026 -12.985 9.261 1.00 0.00 H new ATOM 1672 N TYR A 133 47.119 -17.344 8.081 1.00 0.00 N ATOM 1673 CA TYR A 133 47.936 -18.486 8.457 1.00 0.00 C ATOM 1674 C TYR A 133 47.086 -19.573 9.118 1.00 0.00 C ATOM 1675 O TYR A 133 46.220 -19.275 9.939 1.00 0.00 O ATOM 1676 CB TYR A 133 48.953 -17.961 9.473 1.00 0.00 C ATOM 1677 CG TYR A 133 50.182 -18.856 9.642 1.00 0.00 C ATOM 1678 CD1 TYR A 133 50.107 -19.990 10.424 1.00 0.00 C ATOM 1679 CD2 TYR A 133 51.365 -18.528 9.012 1.00 0.00 C ATOM 1680 CE1 TYR A 133 51.266 -20.833 10.581 1.00 0.00 C ATOM 1681 CE2 TYR A 133 52.523 -19.370 9.170 1.00 0.00 C ATOM 1682 CZ TYR A 133 52.415 -20.481 9.948 1.00 0.00 C ATOM 1683 OH TYR A 133 53.509 -21.276 10.097 1.00 0.00 O ATOM 0 H TYR A 133 46.836 -16.748 8.859 1.00 0.00 H new ATOM 0 HA TYR A 133 48.411 -18.924 7.579 1.00 0.00 H new ATOM 0 HB2 TYR A 133 49.279 -16.968 9.165 1.00 0.00 H new ATOM 0 HB3 TYR A 133 48.461 -17.850 10.440 1.00 0.00 H new ATOM 0 HD1 TYR A 133 49.181 -20.246 10.918 1.00 0.00 H new ATOM 0 HD2 TYR A 133 51.423 -17.640 8.400 1.00 0.00 H new ATOM 0 HE1 TYR A 133 51.222 -21.725 11.189 1.00 0.00 H new ATOM 0 HE2 TYR A 133 53.455 -19.125 8.682 1.00 0.00 H new ATOM 0 HH TYR A 133 54.257 -20.902 9.587 1.00 0.00 H new TER 1692 TYR A 133