USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 760 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 73 ASN : amide:sc= -6.91! C(o=-10!,f=-12!) USER MOD Set 1.2: A 78 CYS SG : rot -70:sc= -3.08! USER MOD Set 2.1: A 57 MET CE :methyl -153:sc= -0.418 (180deg=-1.42!) USER MOD Set 2.2: A 70 GLN : amide:sc= -3.13 K(o=-3.6,f=-5.7!) USER MOD Set 2.3: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 19 THR OG1 : rot -112:sc= 0.237 USER MOD Set 3.2: A 21 SER OG : rot -114:sc= -4.36! USER MOD Single : A 1 GLY N :NH3+ 155:sc= 0.00132 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.725 USER MOD Single : A 16 THR OG1 : rot -111:sc= 0.167 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 28 GLN : amide:sc= -2.49! C(o=-2.5!,f=-17!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -39:sc= 0.412 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= -0.0733 (180deg=-0.458) USER MOD Single : A 41 GLN : amide:sc= -0.205 K(o=-0.21,f=-2.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.43 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -94:sc= 0.55 USER MOD Single : A 49 GLN : amide:sc=-0.00511 X(o=-0.0051,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.561 K(o=-0.56,f=-2.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.7) USER MOD Single : A 76 HIS : no HD1:sc=-0.00371 X(o=-0.0037,f=0) USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.13) USER MOD Single : A 92 THR OG1 : rot 71:sc= 0.749 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.867 -21.077 -19.623 1.00 0.00 N ATOM 2 CA GLY A 1 27.016 -19.667 -19.944 1.00 0.00 C ATOM 3 C GLY A 1 26.593 -18.789 -18.765 1.00 0.00 C ATOM 4 O GLY A 1 25.568 -19.043 -18.134 1.00 0.00 O ATOM 0 H1 GLY A 1 26.742 -21.621 -20.500 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.717 -21.412 -19.126 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.035 -21.208 -19.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.053 -19.457 -20.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.412 -19.424 -20.818 1.00 0.00 H new ATOM 8 N SER A 2 27.403 -17.774 -18.503 1.00 0.00 N ATOM 9 CA SER A 2 27.125 -16.856 -17.412 1.00 0.00 C ATOM 10 C SER A 2 26.240 -15.709 -17.904 1.00 0.00 C ATOM 11 O SER A 2 26.742 -14.659 -18.299 1.00 0.00 O ATOM 12 CB SER A 2 28.420 -16.306 -16.811 1.00 0.00 C ATOM 13 OG SER A 2 28.703 -16.879 -15.537 1.00 0.00 O ATOM 0 H SER A 2 28.253 -17.567 -19.028 1.00 0.00 H new ATOM 0 HA SER A 2 26.597 -17.404 -16.631 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.249 -16.506 -17.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.343 -15.223 -16.712 1.00 0.00 H new ATOM 0 HG SER A 2 29.538 -16.504 -15.188 1.00 0.00 H new ATOM 19 N GLU A 3 24.937 -15.951 -17.864 1.00 0.00 N ATOM 20 CA GLU A 3 23.977 -14.951 -18.301 1.00 0.00 C ATOM 21 C GLU A 3 23.035 -14.582 -17.154 1.00 0.00 C ATOM 22 O GLU A 3 22.267 -15.420 -16.683 1.00 0.00 O ATOM 23 CB GLU A 3 23.192 -15.441 -19.520 1.00 0.00 C ATOM 24 CG GLU A 3 24.016 -15.290 -20.800 1.00 0.00 C ATOM 25 CD GLU A 3 23.310 -14.374 -21.802 1.00 0.00 C ATOM 26 OE1 GLU A 3 22.270 -14.813 -22.337 1.00 0.00 O ATOM 27 OE2 GLU A 3 23.827 -13.255 -22.009 1.00 0.00 O ATOM 0 H GLU A 3 24.524 -16.824 -17.536 1.00 0.00 H new ATOM 0 HA GLU A 3 24.524 -14.056 -18.598 1.00 0.00 H new ATOM 0 HB2 GLU A 3 22.915 -16.486 -19.383 1.00 0.00 H new ATOM 0 HB3 GLU A 3 22.265 -14.875 -19.611 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.998 -14.883 -20.559 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.179 -16.270 -21.250 1.00 0.00 H new ATOM 34 N GLY A 4 23.125 -13.328 -16.736 1.00 0.00 N ATOM 35 CA GLY A 4 22.290 -12.838 -15.653 1.00 0.00 C ATOM 36 C GLY A 4 20.810 -12.890 -16.035 1.00 0.00 C ATOM 37 O GLY A 4 20.231 -13.970 -16.147 1.00 0.00 O ATOM 0 H GLY A 4 23.764 -12.636 -17.128 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.460 -13.437 -14.759 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.570 -11.814 -15.408 1.00 0.00 H new ATOM 41 N ALA A 5 20.238 -11.710 -16.224 1.00 0.00 N ATOM 42 CA ALA A 5 18.836 -11.607 -16.592 1.00 0.00 C ATOM 43 C ALA A 5 17.977 -12.217 -15.482 1.00 0.00 C ATOM 44 O ALA A 5 17.433 -13.308 -15.643 1.00 0.00 O ATOM 45 CB ALA A 5 18.612 -12.287 -17.944 1.00 0.00 C ATOM 0 H ALA A 5 20.720 -10.816 -16.129 1.00 0.00 H new ATOM 0 HA ALA A 5 18.542 -10.563 -16.700 1.00 0.00 H new ATOM 0 HB1 ALA A 5 17.560 -12.210 -18.220 1.00 0.00 H new ATOM 0 HB2 ALA A 5 19.223 -11.798 -18.703 1.00 0.00 H new ATOM 0 HB3 ALA A 5 18.893 -13.338 -17.874 1.00 0.00 H new ATOM 51 N ALA A 6 17.882 -11.486 -14.382 1.00 0.00 N ATOM 52 CA ALA A 6 17.098 -11.941 -13.246 1.00 0.00 C ATOM 53 C ALA A 6 16.206 -10.798 -12.757 1.00 0.00 C ATOM 54 O ALA A 6 16.439 -9.637 -13.091 1.00 0.00 O ATOM 55 CB ALA A 6 18.035 -12.458 -12.153 1.00 0.00 C ATOM 0 H ALA A 6 18.335 -10.581 -14.253 1.00 0.00 H new ATOM 0 HA ALA A 6 16.447 -12.767 -13.535 1.00 0.00 H new ATOM 0 HB1 ALA A 6 17.447 -12.799 -11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 6 18.625 -13.288 -12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 6 18.702 -11.656 -11.836 1.00 0.00 H new ATOM 61 N THR A 7 15.204 -11.167 -11.972 1.00 0.00 N ATOM 62 CA THR A 7 14.277 -10.187 -11.433 1.00 0.00 C ATOM 63 C THR A 7 13.982 -10.484 -9.961 1.00 0.00 C ATOM 64 O THR A 7 13.890 -11.645 -9.565 1.00 0.00 O ATOM 65 CB THR A 7 13.026 -10.185 -12.315 1.00 0.00 C ATOM 66 OG1 THR A 7 13.494 -9.726 -13.580 1.00 0.00 O ATOM 67 CG2 THR A 7 12.010 -9.124 -11.887 1.00 0.00 C ATOM 0 H THR A 7 15.014 -12.131 -11.697 1.00 0.00 H new ATOM 0 HA THR A 7 14.707 -9.185 -11.450 1.00 0.00 H new ATOM 0 HB THR A 7 12.559 -11.169 -12.284 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.747 -9.696 -14.214 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.142 -9.165 -12.545 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.697 -9.314 -10.860 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.467 -8.136 -11.950 1.00 0.00 H new ATOM 75 N MET A 8 13.842 -9.415 -9.191 1.00 0.00 N ATOM 76 CA MET A 8 13.560 -9.547 -7.772 1.00 0.00 C ATOM 77 C MET A 8 13.004 -8.242 -7.200 1.00 0.00 C ATOM 78 O MET A 8 13.751 -7.290 -6.975 1.00 0.00 O ATOM 79 CB MET A 8 14.843 -9.925 -7.029 1.00 0.00 C ATOM 80 CG MET A 8 14.573 -11.010 -5.985 1.00 0.00 C ATOM 81 SD MET A 8 15.796 -12.303 -6.117 1.00 0.00 S ATOM 82 CE MET A 8 15.456 -13.206 -4.615 1.00 0.00 C ATOM 0 H MET A 8 13.919 -8.454 -9.523 1.00 0.00 H new ATOM 0 HA MET A 8 12.811 -10.328 -7.641 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.589 -10.278 -7.741 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.259 -9.043 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 8 14.596 -10.577 -4.985 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.576 -11.425 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A 8 16.136 -14.054 -4.539 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.596 -12.550 -3.756 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.427 -13.566 -4.632 1.00 0.00 H new ATOM 92 N SER A 9 11.697 -8.238 -6.980 1.00 0.00 N ATOM 93 CA SER A 9 11.033 -7.065 -6.439 1.00 0.00 C ATOM 94 C SER A 9 10.019 -7.484 -5.372 1.00 0.00 C ATOM 95 O SER A 9 9.087 -8.234 -5.657 1.00 0.00 O ATOM 96 CB SER A 9 10.341 -6.264 -7.544 1.00 0.00 C ATOM 97 OG SER A 9 11.278 -5.652 -8.426 1.00 0.00 O ATOM 0 H SER A 9 11.081 -9.029 -7.167 1.00 0.00 H new ATOM 0 HA SER A 9 11.788 -6.425 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.685 -6.923 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.711 -5.496 -7.095 1.00 0.00 H new ATOM 0 HG SER A 9 10.797 -5.152 -9.118 1.00 0.00 H new ATOM 103 N GLY A 10 10.235 -6.980 -4.166 1.00 0.00 N ATOM 104 CA GLY A 10 9.351 -7.292 -3.055 1.00 0.00 C ATOM 105 C GLY A 10 8.456 -6.099 -2.714 1.00 0.00 C ATOM 106 O GLY A 10 8.697 -5.398 -1.733 1.00 0.00 O ATOM 0 H GLY A 10 11.009 -6.358 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.733 -8.154 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.942 -7.569 -2.182 1.00 0.00 H new ATOM 110 N LEU A 11 7.441 -5.905 -3.544 1.00 0.00 N ATOM 111 CA LEU A 11 6.509 -4.809 -3.343 1.00 0.00 C ATOM 112 C LEU A 11 5.585 -5.141 -2.170 1.00 0.00 C ATOM 113 O LEU A 11 4.976 -6.209 -2.137 1.00 0.00 O ATOM 114 CB LEU A 11 5.765 -4.493 -4.642 1.00 0.00 C ATOM 115 CG LEU A 11 5.883 -3.055 -5.150 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.147 -2.085 -4.223 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.348 -2.661 -5.346 1.00 0.00 C ATOM 0 H LEU A 11 7.244 -6.489 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 11 7.044 -3.897 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.132 -5.163 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.709 -4.721 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 11 5.401 -2.996 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.246 -1.069 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.092 -2.355 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.578 -2.139 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.403 -1.634 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.876 -2.740 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.810 -3.328 -6.074 1.00 0.00 H new ATOM 129 N ARG A 12 5.508 -4.204 -1.236 1.00 0.00 N ATOM 130 CA ARG A 12 4.668 -4.384 -0.064 1.00 0.00 C ATOM 131 C ARG A 12 3.807 -3.140 0.168 1.00 0.00 C ATOM 132 O ARG A 12 4.324 -2.025 0.224 1.00 0.00 O ATOM 133 CB ARG A 12 5.513 -4.650 1.184 1.00 0.00 C ATOM 134 CG ARG A 12 6.366 -5.908 1.010 1.00 0.00 C ATOM 135 CD ARG A 12 6.401 -6.730 2.299 1.00 0.00 C ATOM 136 NE ARG A 12 7.791 -6.833 2.797 1.00 0.00 N ATOM 137 CZ ARG A 12 8.161 -7.587 3.841 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.247 -8.309 4.504 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.445 -7.619 4.223 1.00 0.00 N ATOM 0 H ARG A 12 6.013 -3.318 -1.267 1.00 0.00 H new ATOM 0 HA ARG A 12 4.026 -5.246 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.158 -3.793 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.862 -4.765 2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.964 -6.515 0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.380 -5.627 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.769 -6.263 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.997 -7.726 2.116 1.00 0.00 H new ATOM 0 HE ARG A 12 8.512 -6.296 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.269 -8.285 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.529 -8.883 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.141 -7.069 3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.726 -8.193 5.018 1.00 0.00 H new ATOM 153 N VAL A 13 2.509 -3.373 0.295 1.00 0.00 N ATOM 154 CA VAL A 13 1.572 -2.286 0.519 1.00 0.00 C ATOM 155 C VAL A 13 1.041 -2.363 1.952 1.00 0.00 C ATOM 156 O VAL A 13 0.139 -3.148 2.242 1.00 0.00 O ATOM 157 CB VAL A 13 0.462 -2.326 -0.533 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.662 -1.349 -0.183 1.00 0.00 C ATOM 159 CG2 VAL A 13 1.020 -2.043 -1.930 1.00 0.00 C ATOM 0 H VAL A 13 2.084 -4.299 0.247 1.00 0.00 H new ATOM 0 HA VAL A 13 2.071 -1.323 0.409 1.00 0.00 H new ATOM 0 HB VAL A 13 0.041 -3.332 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.438 -1.398 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.088 -1.616 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.262 -0.336 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.210 -2.077 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.480 -1.055 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.768 -2.795 -2.182 1.00 0.00 H new ATOM 169 N TYR A 14 1.622 -1.537 2.810 1.00 0.00 N ATOM 170 CA TYR A 14 1.218 -1.502 4.205 1.00 0.00 C ATOM 171 C TYR A 14 -0.118 -0.775 4.371 1.00 0.00 C ATOM 172 O TYR A 14 -0.167 0.454 4.347 1.00 0.00 O ATOM 173 CB TYR A 14 2.307 -0.718 4.940 1.00 0.00 C ATOM 174 CG TYR A 14 3.591 -1.514 5.182 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.391 -1.873 4.118 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.948 -1.873 6.466 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.600 -2.623 4.346 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.156 -2.622 6.695 1.00 0.00 C ATOM 179 CZ TYR A 14 5.922 -2.960 5.624 1.00 0.00 C ATOM 180 OH TYR A 14 7.064 -3.667 5.839 1.00 0.00 O ATOM 0 H TYR A 14 2.369 -0.887 2.566 1.00 0.00 H new ATOM 0 HA TYR A 14 1.096 -2.513 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.549 0.175 4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.914 -0.382 5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.111 -1.592 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.321 -1.592 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.236 -2.911 3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.447 -2.909 7.695 1.00 0.00 H new ATOM 0 HH TYR A 14 7.168 -3.836 6.799 1.00 0.00 H new ATOM 190 N SER A 15 -1.169 -1.565 4.536 1.00 0.00 N ATOM 191 CA SER A 15 -2.502 -1.012 4.706 1.00 0.00 C ATOM 192 C SER A 15 -3.136 -1.560 5.986 1.00 0.00 C ATOM 193 O SER A 15 -2.856 -2.688 6.388 1.00 0.00 O ATOM 194 CB SER A 15 -3.387 -1.326 3.498 1.00 0.00 C ATOM 195 OG SER A 15 -2.644 -1.906 2.429 1.00 0.00 O ATOM 0 H SER A 15 -1.124 -2.584 4.556 1.00 0.00 H new ATOM 0 HA SER A 15 -2.415 0.072 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.182 -2.008 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.866 -0.410 3.152 1.00 0.00 H new ATOM 0 HG SER A 15 -3.244 -2.093 1.677 1.00 0.00 H new ATOM 201 N THR A 16 -3.980 -0.735 6.590 1.00 0.00 N ATOM 202 CA THR A 16 -4.657 -1.123 7.816 1.00 0.00 C ATOM 203 C THR A 16 -6.075 -1.608 7.511 1.00 0.00 C ATOM 204 O THR A 16 -6.747 -1.064 6.636 1.00 0.00 O ATOM 205 CB THR A 16 -4.614 0.067 8.776 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.114 -0.459 10.003 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.620 1.158 8.401 1.00 0.00 C ATOM 0 H THR A 16 -4.210 0.200 6.253 1.00 0.00 H new ATOM 0 HA THR A 16 -4.156 -1.964 8.296 1.00 0.00 H new ATOM 0 HB THR A 16 -3.609 0.488 8.788 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.988 -0.060 10.198 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.549 1.979 9.114 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.400 1.527 7.399 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.629 0.746 8.423 1.00 0.00 H new ATOM 215 N SER A 17 -6.489 -2.627 8.250 1.00 0.00 N ATOM 216 CA SER A 17 -7.816 -3.192 8.070 1.00 0.00 C ATOM 217 C SER A 17 -8.849 -2.353 8.826 1.00 0.00 C ATOM 218 O SER A 17 -9.830 -1.897 8.241 1.00 0.00 O ATOM 219 CB SER A 17 -7.865 -4.646 8.543 1.00 0.00 C ATOM 220 OG SER A 17 -8.517 -5.492 7.601 1.00 0.00 O ATOM 0 H SER A 17 -5.929 -3.076 8.975 1.00 0.00 H new ATOM 0 HA SER A 17 -8.052 -3.176 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.850 -5.006 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.386 -4.699 9.499 1.00 0.00 H new ATOM 0 HG SER A 17 -8.526 -6.412 7.939 1.00 0.00 H new ATOM 226 N VAL A 18 -8.592 -2.175 10.113 1.00 0.00 N ATOM 227 CA VAL A 18 -9.487 -1.399 10.954 1.00 0.00 C ATOM 228 C VAL A 18 -8.990 0.047 11.022 1.00 0.00 C ATOM 229 O VAL A 18 -7.821 0.293 11.315 1.00 0.00 O ATOM 230 CB VAL A 18 -9.610 -2.054 12.332 1.00 0.00 C ATOM 231 CG1 VAL A 18 -10.368 -1.148 13.304 1.00 0.00 C ATOM 232 CG2 VAL A 18 -10.277 -3.427 12.228 1.00 0.00 C ATOM 0 H VAL A 18 -7.777 -2.555 10.594 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.490 -1.379 10.528 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.604 -2.199 12.725 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.441 -1.637 14.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.834 -0.204 13.413 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.369 -0.957 12.918 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.352 -3.871 13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.275 -3.316 11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.680 -4.074 11.586 1.00 0.00 H new ATOM 242 N THR A 19 -9.904 0.966 10.747 1.00 0.00 N ATOM 243 CA THR A 19 -9.574 2.381 10.773 1.00 0.00 C ATOM 244 C THR A 19 -10.823 3.225 10.515 1.00 0.00 C ATOM 245 O THR A 19 -11.659 2.866 9.688 1.00 0.00 O ATOM 246 CB THR A 19 -8.455 2.624 9.758 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.256 4.035 9.792 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.898 2.345 8.320 1.00 0.00 C ATOM 0 H THR A 19 -10.873 0.758 10.505 1.00 0.00 H new ATOM 0 HA THR A 19 -9.213 2.685 11.755 1.00 0.00 H new ATOM 0 HB THR A 19 -7.600 1.994 10.003 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.539 4.426 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.067 2.533 7.640 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.211 1.305 8.231 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.732 2.998 8.063 1.00 0.00 H new ATOM 256 N GLY A 20 -10.910 4.332 11.238 1.00 0.00 N ATOM 257 CA GLY A 20 -12.044 5.231 11.097 1.00 0.00 C ATOM 258 C GLY A 20 -11.677 6.446 10.243 1.00 0.00 C ATOM 259 O GLY A 20 -11.957 7.583 10.622 1.00 0.00 O ATOM 0 H GLY A 20 -10.214 4.627 11.923 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.879 4.700 10.640 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.376 5.561 12.081 1.00 0.00 H new ATOM 263 N SER A 21 -11.056 6.166 9.107 1.00 0.00 N ATOM 264 CA SER A 21 -10.648 7.222 8.196 1.00 0.00 C ATOM 265 C SER A 21 -10.847 6.770 6.748 1.00 0.00 C ATOM 266 O SER A 21 -9.923 6.253 6.123 1.00 0.00 O ATOM 267 CB SER A 21 -9.189 7.620 8.432 1.00 0.00 C ATOM 268 OG SER A 21 -8.385 6.504 8.805 1.00 0.00 O ATOM 0 H SER A 21 -10.825 5.222 8.796 1.00 0.00 H new ATOM 0 HA SER A 21 -11.270 8.097 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.785 8.071 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.142 8.378 9.214 1.00 0.00 H new ATOM 0 HG SER A 21 -8.071 6.621 9.726 1.00 0.00 H new ATOM 274 N ARG A 22 -12.059 6.982 6.257 1.00 0.00 N ATOM 275 CA ARG A 22 -12.392 6.604 4.894 1.00 0.00 C ATOM 276 C ARG A 22 -11.292 7.060 3.933 1.00 0.00 C ATOM 277 O ARG A 22 -10.824 6.281 3.105 1.00 0.00 O ATOM 278 CB ARG A 22 -13.725 7.217 4.462 1.00 0.00 C ATOM 279 CG ARG A 22 -14.820 6.151 4.386 1.00 0.00 C ATOM 280 CD ARG A 22 -15.320 5.779 5.784 1.00 0.00 C ATOM 281 NE ARG A 22 -16.679 5.200 5.697 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.777 5.903 5.385 1.00 0.00 C ATOM 283 NH1 ARG A 22 -17.681 7.215 5.128 1.00 0.00 N ATOM 284 NH2 ARG A 22 -18.969 5.295 5.330 1.00 0.00 N ATOM 0 H ARG A 22 -12.823 7.411 6.779 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.479 5.518 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.018 7.994 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.611 7.696 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.651 6.520 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.434 5.263 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.639 5.063 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.332 6.663 6.422 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.787 4.204 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.773 7.678 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.516 7.751 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.042 4.297 5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.804 5.830 5.093 1.00 0.00 H new ATOM 298 N GLU A 23 -10.912 8.322 4.076 1.00 0.00 N ATOM 299 CA GLU A 23 -9.877 8.892 3.231 1.00 0.00 C ATOM 300 C GLU A 23 -8.691 7.931 3.124 1.00 0.00 C ATOM 301 O GLU A 23 -8.122 7.759 2.047 1.00 0.00 O ATOM 302 CB GLU A 23 -9.430 10.257 3.757 1.00 0.00 C ATOM 303 CG GLU A 23 -9.479 11.313 2.650 1.00 0.00 C ATOM 304 CD GLU A 23 -8.644 12.540 3.026 1.00 0.00 C ATOM 305 OE1 GLU A 23 -7.515 12.328 3.518 1.00 0.00 O ATOM 306 OE2 GLU A 23 -9.155 13.660 2.812 1.00 0.00 O ATOM 0 H GLU A 23 -11.303 8.965 4.765 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.291 9.041 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.073 10.561 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.416 10.185 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.106 10.886 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.512 11.612 2.473 1.00 0.00 H new ATOM 313 N ILE A 24 -8.353 7.330 4.255 1.00 0.00 N ATOM 314 CA ILE A 24 -7.245 6.391 4.302 1.00 0.00 C ATOM 315 C ILE A 24 -7.610 5.138 3.503 1.00 0.00 C ATOM 316 O ILE A 24 -6.946 4.808 2.522 1.00 0.00 O ATOM 317 CB ILE A 24 -6.848 6.103 5.751 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.265 7.350 6.418 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.892 4.910 5.830 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.798 7.042 7.842 1.00 0.00 C ATOM 0 H ILE A 24 -8.827 7.475 5.146 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.360 6.822 3.833 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.747 5.833 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.427 7.724 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.016 8.140 6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.625 4.726 6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.379 4.026 5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.991 5.128 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.388 7.945 8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.643 6.692 8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.030 6.269 7.814 1.00 0.00 H new ATOM 332 N LYS A 25 -8.665 4.475 3.953 1.00 0.00 N ATOM 333 CA LYS A 25 -9.126 3.265 3.293 1.00 0.00 C ATOM 334 C LYS A 25 -9.061 3.461 1.777 1.00 0.00 C ATOM 335 O LYS A 25 -8.388 2.705 1.078 1.00 0.00 O ATOM 336 CB LYS A 25 -10.514 2.872 3.803 1.00 0.00 C ATOM 337 CG LYS A 25 -10.416 1.787 4.877 1.00 0.00 C ATOM 338 CD LYS A 25 -11.661 0.898 4.873 1.00 0.00 C ATOM 339 CE LYS A 25 -12.767 1.498 5.743 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.003 0.655 6.936 1.00 0.00 N ATOM 0 H LYS A 25 -9.214 4.753 4.767 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.474 2.426 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.017 3.749 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.122 2.513 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.529 1.178 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.298 2.250 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.022 0.777 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.404 -0.096 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.489 2.506 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.686 1.585 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.757 1.077 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.290 -0.299 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.129 0.594 7.496 1.00 0.00 H new ATOM 354 N SER A 26 -9.769 4.480 1.312 1.00 0.00 N ATOM 355 CA SER A 26 -9.800 4.784 -0.108 1.00 0.00 C ATOM 356 C SER A 26 -8.389 4.701 -0.692 1.00 0.00 C ATOM 357 O SER A 26 -8.152 3.971 -1.653 1.00 0.00 O ATOM 358 CB SER A 26 -10.399 6.169 -0.362 1.00 0.00 C ATOM 359 OG SER A 26 -11.549 6.108 -1.201 1.00 0.00 O ATOM 0 H SER A 26 -10.326 5.106 1.894 1.00 0.00 H new ATOM 0 HA SER A 26 -10.434 4.048 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.668 6.627 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.648 6.810 -0.823 1.00 0.00 H new ATOM 0 HG SER A 26 -11.903 7.012 -1.338 1.00 0.00 H new ATOM 365 N GLN A 27 -7.487 5.460 -0.087 1.00 0.00 N ATOM 366 CA GLN A 27 -6.105 5.482 -0.535 1.00 0.00 C ATOM 367 C GLN A 27 -5.570 4.055 -0.676 1.00 0.00 C ATOM 368 O GLN A 27 -4.878 3.741 -1.643 1.00 0.00 O ATOM 369 CB GLN A 27 -5.233 6.302 0.418 1.00 0.00 C ATOM 370 CG GLN A 27 -5.443 7.802 0.200 1.00 0.00 C ATOM 371 CD GLN A 27 -5.038 8.599 1.441 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.100 8.264 2.146 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.795 9.669 1.669 1.00 0.00 N ATOM 0 H GLN A 27 -7.686 6.064 0.710 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.068 5.962 -1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.473 6.044 1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.184 6.052 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.857 8.134 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.490 7.996 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.565 9.893 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.605 10.266 2.474 1.00 0.00 H new ATOM 382 N GLN A 28 -5.912 3.230 0.302 1.00 0.00 N ATOM 383 CA GLN A 28 -5.476 1.844 0.299 1.00 0.00 C ATOM 384 C GLN A 28 -6.114 1.089 -0.869 1.00 0.00 C ATOM 385 O GLN A 28 -5.412 0.502 -1.691 1.00 0.00 O ATOM 386 CB GLN A 28 -5.797 1.165 1.631 1.00 0.00 C ATOM 387 CG GLN A 28 -5.298 2.005 2.809 1.00 0.00 C ATOM 388 CD GLN A 28 -5.385 1.218 4.119 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.435 1.122 4.879 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.573 0.664 4.339 1.00 0.00 N ATOM 0 H GLN A 28 -6.486 3.495 1.102 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.394 1.825 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.873 1.015 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.334 0.179 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.267 2.310 2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.891 2.916 2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.325 0.784 3.661 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.732 0.119 5.186 1.00 0.00 H new ATOM 399 N SER A 29 -7.438 1.129 -0.905 1.00 0.00 N ATOM 400 CA SER A 29 -8.178 0.456 -1.959 1.00 0.00 C ATOM 401 C SER A 29 -7.685 0.927 -3.328 1.00 0.00 C ATOM 402 O SER A 29 -7.481 0.117 -4.231 1.00 0.00 O ATOM 403 CB SER A 29 -9.681 0.705 -1.821 1.00 0.00 C ATOM 404 OG SER A 29 -10.369 -0.440 -1.325 1.00 0.00 O ATOM 0 H SER A 29 -8.017 1.617 -0.222 1.00 0.00 H new ATOM 0 HA SER A 29 -8.005 -0.616 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.849 1.547 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.093 0.983 -2.791 1.00 0.00 H new ATOM 0 HG SER A 29 -11.325 -0.240 -1.250 1.00 0.00 H new ATOM 410 N GLU A 30 -7.508 2.236 -3.439 1.00 0.00 N ATOM 411 CA GLU A 30 -7.043 2.825 -4.684 1.00 0.00 C ATOM 412 C GLU A 30 -5.677 2.250 -5.065 1.00 0.00 C ATOM 413 O GLU A 30 -5.528 1.646 -6.126 1.00 0.00 O ATOM 414 CB GLU A 30 -6.987 4.350 -4.581 1.00 0.00 C ATOM 415 CG GLU A 30 -8.295 4.980 -5.062 1.00 0.00 C ATOM 416 CD GLU A 30 -8.605 6.262 -4.286 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.470 6.219 -3.044 1.00 0.00 O ATOM 418 OE2 GLU A 30 -8.968 7.255 -4.952 1.00 0.00 O ATOM 0 H GLU A 30 -7.678 2.905 -2.688 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.754 2.573 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.797 4.642 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.156 4.728 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.225 5.203 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.112 4.269 -4.938 1.00 0.00 H new ATOM 425 N VAL A 31 -4.714 2.459 -4.178 1.00 0.00 N ATOM 426 CA VAL A 31 -3.366 1.970 -4.409 1.00 0.00 C ATOM 427 C VAL A 31 -3.434 0.573 -5.029 1.00 0.00 C ATOM 428 O VAL A 31 -2.910 0.347 -6.119 1.00 0.00 O ATOM 429 CB VAL A 31 -2.566 2.006 -3.105 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.331 1.108 -3.194 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.176 3.440 -2.741 1.00 0.00 C ATOM 0 H VAL A 31 -4.841 2.960 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.842 2.614 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.204 1.620 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.781 1.152 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.641 0.081 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.690 1.450 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.608 3.438 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.565 3.864 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.076 4.041 -2.615 1.00 0.00 H new ATOM 441 N THR A 32 -4.084 -0.329 -4.308 1.00 0.00 N ATOM 442 CA THR A 32 -4.227 -1.698 -4.774 1.00 0.00 C ATOM 443 C THR A 32 -4.945 -1.729 -6.124 1.00 0.00 C ATOM 444 O THR A 32 -4.588 -2.511 -7.004 1.00 0.00 O ATOM 445 CB THR A 32 -4.947 -2.495 -3.684 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.266 -1.957 -3.674 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.410 -2.191 -2.284 1.00 0.00 C ATOM 0 H THR A 32 -4.517 -0.139 -3.405 1.00 0.00 H new ATOM 0 HA THR A 32 -3.256 -2.161 -4.947 1.00 0.00 H new ATOM 0 HB THR A 32 -4.846 -3.561 -3.888 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.224 -0.987 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.955 -2.783 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.350 -2.442 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.541 -1.131 -2.066 1.00 0.00 H new ATOM 455 N ARG A 33 -5.946 -0.869 -6.247 1.00 0.00 N ATOM 456 CA ARG A 33 -6.717 -0.788 -7.475 1.00 0.00 C ATOM 457 C ARG A 33 -5.799 -0.478 -8.659 1.00 0.00 C ATOM 458 O ARG A 33 -5.818 -1.185 -9.666 1.00 0.00 O ATOM 459 CB ARG A 33 -7.795 0.294 -7.378 1.00 0.00 C ATOM 460 CG ARG A 33 -9.046 -0.107 -8.163 1.00 0.00 C ATOM 461 CD ARG A 33 -9.889 1.120 -8.515 1.00 0.00 C ATOM 462 NE ARG A 33 -10.438 0.981 -9.882 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.102 1.951 -10.527 1.00 0.00 C ATOM 464 NH1 ARG A 33 -11.304 3.134 -9.932 1.00 0.00 N ATOM 465 NH2 ARG A 33 -11.565 1.736 -11.766 1.00 0.00 N ATOM 0 H ARG A 33 -6.240 -0.222 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.199 -1.753 -7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.055 0.461 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.406 1.236 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.756 -0.627 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.641 -0.805 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.702 1.231 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.280 2.021 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.303 0.092 -10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.953 3.297 -8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.809 3.872 -10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.412 0.835 -12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.070 2.474 -12.257 1.00 0.00 H new ATOM 479 N ILE A 34 -5.017 0.579 -8.500 1.00 0.00 N ATOM 480 CA ILE A 34 -4.093 0.991 -9.543 1.00 0.00 C ATOM 481 C ILE A 34 -3.083 -0.131 -9.796 1.00 0.00 C ATOM 482 O ILE A 34 -2.836 -0.501 -10.942 1.00 0.00 O ATOM 483 CB ILE A 34 -3.447 2.331 -9.188 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.509 3.381 -8.856 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.507 2.799 -10.301 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.369 3.866 -7.412 1.00 0.00 C ATOM 0 H ILE A 34 -5.004 1.163 -7.664 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.626 1.158 -10.479 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.841 2.191 -8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.415 4.226 -9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.502 2.959 -9.007 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.061 3.754 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.720 2.060 -10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.070 2.917 -11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.136 4.612 -7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.488 3.023 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.383 4.310 -7.271 1.00 0.00 H new ATOM 498 N LEU A 35 -2.527 -0.639 -8.706 1.00 0.00 N ATOM 499 CA LEU A 35 -1.550 -1.711 -8.796 1.00 0.00 C ATOM 500 C LEU A 35 -2.189 -2.923 -9.476 1.00 0.00 C ATOM 501 O LEU A 35 -1.549 -3.595 -10.283 1.00 0.00 O ATOM 502 CB LEU A 35 -0.963 -2.018 -7.416 1.00 0.00 C ATOM 503 CG LEU A 35 0.025 -0.989 -6.863 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.502 -1.384 -5.464 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.192 -0.776 -7.828 1.00 0.00 C ATOM 0 H LEU A 35 -2.734 -0.329 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.706 -1.406 -9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.785 -2.120 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.462 -2.985 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.493 -0.034 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.203 -0.636 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.354 -1.444 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.997 -2.354 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.879 -0.040 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.717 -1.719 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.812 -0.417 -8.784 1.00 0.00 H new ATOM 517 N ASP A 36 -3.443 -3.165 -9.125 1.00 0.00 N ATOM 518 CA ASP A 36 -4.176 -4.285 -9.691 1.00 0.00 C ATOM 519 C ASP A 36 -4.176 -4.169 -11.217 1.00 0.00 C ATOM 520 O ASP A 36 -3.903 -5.142 -11.917 1.00 0.00 O ATOM 521 CB ASP A 36 -5.631 -4.287 -9.217 1.00 0.00 C ATOM 522 CG ASP A 36 -6.388 -5.594 -9.462 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.799 -6.476 -10.122 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.540 -5.680 -8.983 1.00 0.00 O ATOM 0 H ASP A 36 -3.971 -2.605 -8.456 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.690 -5.205 -9.367 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.650 -4.068 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.162 -3.478 -9.718 1.00 0.00 H new ATOM 529 N GLY A 37 -4.487 -2.970 -11.687 1.00 0.00 N ATOM 530 CA GLY A 37 -4.526 -2.714 -13.117 1.00 0.00 C ATOM 531 C GLY A 37 -3.121 -2.762 -13.722 1.00 0.00 C ATOM 532 O GLY A 37 -2.934 -3.272 -14.825 1.00 0.00 O ATOM 0 H GLY A 37 -4.714 -2.165 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.161 -3.453 -13.605 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.973 -1.737 -13.303 1.00 0.00 H new ATOM 536 N LYS A 38 -2.170 -2.225 -12.972 1.00 0.00 N ATOM 537 CA LYS A 38 -0.788 -2.200 -13.420 1.00 0.00 C ATOM 538 C LYS A 38 -0.238 -3.628 -13.440 1.00 0.00 C ATOM 539 O LYS A 38 0.819 -3.881 -14.017 1.00 0.00 O ATOM 540 CB LYS A 38 0.035 -1.235 -12.565 1.00 0.00 C ATOM 541 CG LYS A 38 -0.504 0.192 -12.674 1.00 0.00 C ATOM 542 CD LYS A 38 0.601 1.166 -13.086 1.00 0.00 C ATOM 543 CE LYS A 38 0.152 2.617 -12.899 1.00 0.00 C ATOM 544 NZ LYS A 38 0.629 3.456 -14.021 1.00 0.00 N ATOM 0 H LYS A 38 -2.329 -1.804 -12.057 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.724 -1.819 -14.439 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.013 -1.557 -11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.077 -1.259 -12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.313 0.224 -13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.926 0.499 -11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.495 0.979 -12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.870 0.996 -14.129 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.935 2.663 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.539 3.005 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.930 4.383 -13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.433 2.989 -14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.140 3.586 -14.708 1.00 0.00 H new ATOM 558 N ARG A 39 -0.979 -4.522 -12.803 1.00 0.00 N ATOM 559 CA ARG A 39 -0.578 -5.918 -12.741 1.00 0.00 C ATOM 560 C ARG A 39 0.797 -6.046 -12.082 1.00 0.00 C ATOM 561 O ARG A 39 1.630 -6.835 -12.524 1.00 0.00 O ATOM 562 CB ARG A 39 -0.526 -6.539 -14.138 1.00 0.00 C ATOM 563 CG ARG A 39 -1.909 -7.030 -14.571 1.00 0.00 C ATOM 564 CD ARG A 39 -2.047 -8.539 -14.356 1.00 0.00 C ATOM 565 NE ARG A 39 -3.163 -9.066 -15.173 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.680 -10.294 -15.035 1.00 0.00 C ATOM 567 NH1 ARG A 39 -3.184 -11.130 -14.112 1.00 0.00 N ATOM 568 NH2 ARG A 39 -4.692 -10.688 -15.819 1.00 0.00 N ATOM 0 H ARG A 39 -1.854 -4.308 -12.325 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.321 -6.450 -12.147 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.157 -5.804 -14.853 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.178 -7.371 -14.144 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.679 -6.506 -14.004 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.070 -6.793 -15.622 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.118 -9.040 -14.628 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.226 -8.750 -13.302 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.563 -8.456 -15.886 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.413 -10.831 -13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.578 -12.065 -14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.070 -10.053 -16.522 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.085 -11.623 -15.713 1.00 0.00 H new ATOM 582 N ILE A 40 0.992 -5.258 -11.034 1.00 0.00 N ATOM 583 CA ILE A 40 2.251 -5.274 -10.310 1.00 0.00 C ATOM 584 C ILE A 40 2.191 -6.339 -9.214 1.00 0.00 C ATOM 585 O ILE A 40 1.154 -6.523 -8.578 1.00 0.00 O ATOM 586 CB ILE A 40 2.588 -3.874 -9.790 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.940 -2.931 -10.942 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.696 -3.933 -8.737 1.00 0.00 C ATOM 589 CD1 ILE A 40 3.033 -1.483 -10.456 1.00 0.00 C ATOM 0 H ILE A 40 0.299 -4.605 -10.670 1.00 0.00 H new ATOM 0 HA ILE A 40 3.070 -5.547 -10.976 1.00 0.00 H new ATOM 0 HB ILE A 40 1.702 -3.468 -9.302 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.889 -3.231 -11.385 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.184 -3.008 -11.724 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.916 -2.926 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.369 -4.548 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.593 -4.368 -9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.284 -0.833 -11.294 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.075 -1.178 -10.035 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.806 -1.405 -9.692 1.00 0.00 H new ATOM 601 N GLN A 41 3.316 -7.014 -9.026 1.00 0.00 N ATOM 602 CA GLN A 41 3.404 -8.056 -8.018 1.00 0.00 C ATOM 603 C GLN A 41 3.760 -7.451 -6.658 1.00 0.00 C ATOM 604 O GLN A 41 4.877 -6.976 -6.459 1.00 0.00 O ATOM 605 CB GLN A 41 4.418 -9.127 -8.424 1.00 0.00 C ATOM 606 CG GLN A 41 3.728 -10.470 -8.670 1.00 0.00 C ATOM 607 CD GLN A 41 3.923 -11.413 -7.481 1.00 0.00 C ATOM 608 OE1 GLN A 41 4.477 -11.054 -6.455 1.00 0.00 O ATOM 609 NE2 GLN A 41 3.439 -12.636 -7.676 1.00 0.00 N ATOM 0 H GLN A 41 4.174 -6.859 -9.555 1.00 0.00 H new ATOM 0 HA GLN A 41 2.430 -8.538 -7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.942 -8.813 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.169 -9.238 -7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.663 -10.310 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.130 -10.930 -9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.986 -12.870 -8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.520 -13.340 -6.942 1.00 0.00 H new ATOM 618 N TYR A 42 2.789 -7.487 -5.758 1.00 0.00 N ATOM 619 CA TYR A 42 2.986 -6.948 -4.423 1.00 0.00 C ATOM 620 C TYR A 42 2.196 -7.749 -3.386 1.00 0.00 C ATOM 621 O TYR A 42 1.426 -8.641 -3.740 1.00 0.00 O ATOM 622 CB TYR A 42 2.447 -5.517 -4.462 1.00 0.00 C ATOM 623 CG TYR A 42 0.920 -5.426 -4.443 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.234 -5.588 -3.257 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.229 -5.181 -5.612 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.203 -5.502 -3.238 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.209 -5.096 -5.594 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.854 -5.260 -4.408 1.00 0.00 C ATOM 629 OH TYR A 42 -3.211 -5.179 -4.391 1.00 0.00 O ATOM 0 H TYR A 42 1.863 -7.881 -5.927 1.00 0.00 H new ATOM 0 HA TYR A 42 4.039 -6.991 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.844 -4.967 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.819 -5.024 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.775 -5.779 -2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.766 -5.053 -6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.752 -5.627 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.762 -4.906 -6.502 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.539 -5.001 -5.297 1.00 0.00 H new ATOM 639 N GLN A 43 2.413 -7.402 -2.126 1.00 0.00 N ATOM 640 CA GLN A 43 1.731 -8.078 -1.035 1.00 0.00 C ATOM 641 C GLN A 43 1.128 -7.054 -0.071 1.00 0.00 C ATOM 642 O GLN A 43 1.768 -6.057 0.261 1.00 0.00 O ATOM 643 CB GLN A 43 2.679 -9.030 -0.302 1.00 0.00 C ATOM 644 CG GLN A 43 1.902 -10.155 0.384 1.00 0.00 C ATOM 645 CD GLN A 43 2.840 -11.284 0.817 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.934 -12.324 0.187 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.526 -11.021 1.926 1.00 0.00 N ATOM 0 H GLN A 43 3.052 -6.661 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 43 0.921 -8.676 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.393 -9.454 -1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.255 -8.476 0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.376 -9.761 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.145 -10.547 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.399 -10.129 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.179 -11.711 2.298 1.00 0.00 H new ATOM 656 N LEU A 44 -0.096 -7.336 0.351 1.00 0.00 N ATOM 657 CA LEU A 44 -0.792 -6.452 1.270 1.00 0.00 C ATOM 658 C LEU A 44 -0.331 -6.744 2.700 1.00 0.00 C ATOM 659 O LEU A 44 -0.538 -7.843 3.210 1.00 0.00 O ATOM 660 CB LEU A 44 -2.306 -6.563 1.078 1.00 0.00 C ATOM 661 CG LEU A 44 -3.065 -5.241 0.949 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.641 -5.075 -0.458 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.142 -5.120 2.028 1.00 0.00 C ATOM 0 H LEU A 44 -0.623 -8.164 0.073 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.542 -5.412 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.496 -7.157 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.720 -7.116 1.922 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.360 -4.425 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.176 -4.127 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.830 -5.085 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.328 -5.894 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.667 -4.171 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.851 -5.941 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.677 -5.161 3.013 1.00 0.00 H new ATOM 675 N VAL A 45 0.286 -5.740 3.305 1.00 0.00 N ATOM 676 CA VAL A 45 0.779 -5.875 4.665 1.00 0.00 C ATOM 677 C VAL A 45 -0.223 -5.238 5.631 1.00 0.00 C ATOM 678 O VAL A 45 -0.352 -4.016 5.681 1.00 0.00 O ATOM 679 CB VAL A 45 2.181 -5.274 4.776 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.580 -5.079 6.241 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.207 -6.136 4.038 1.00 0.00 C ATOM 0 H VAL A 45 0.456 -4.829 2.878 1.00 0.00 H new ATOM 0 HA VAL A 45 0.869 -6.927 4.936 1.00 0.00 H new ATOM 0 HB VAL A 45 2.164 -4.293 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.581 -4.650 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.872 -4.406 6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.571 -6.042 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.195 -5.686 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.221 -7.136 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.937 -6.200 2.984 1.00 0.00 H new ATOM 691 N ASP A 46 -0.906 -6.096 6.375 1.00 0.00 N ATOM 692 CA ASP A 46 -1.891 -5.633 7.337 1.00 0.00 C ATOM 693 C ASP A 46 -1.187 -5.254 8.641 1.00 0.00 C ATOM 694 O ASP A 46 -0.744 -6.126 9.388 1.00 0.00 O ATOM 695 CB ASP A 46 -2.911 -6.729 7.652 1.00 0.00 C ATOM 696 CG ASP A 46 -3.862 -6.415 8.809 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.676 -5.341 9.420 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.753 -7.256 9.055 1.00 0.00 O ATOM 0 H ASP A 46 -0.796 -7.109 6.331 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.405 -4.775 6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.503 -6.921 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.374 -7.649 7.883 1.00 0.00 H new ATOM 703 N ILE A 47 -1.104 -3.952 8.875 1.00 0.00 N ATOM 704 CA ILE A 47 -0.461 -3.448 10.076 1.00 0.00 C ATOM 705 C ILE A 47 -1.360 -3.718 11.284 1.00 0.00 C ATOM 706 O ILE A 47 -0.882 -4.135 12.338 1.00 0.00 O ATOM 707 CB ILE A 47 -0.089 -1.973 9.905 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.339 -1.107 9.744 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.891 -1.786 8.745 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.972 0.307 9.291 1.00 0.00 C ATOM 0 H ILE A 47 -1.471 -3.232 8.253 1.00 0.00 H new ATOM 0 HA ILE A 47 0.478 -3.973 10.254 1.00 0.00 H new ATOM 0 HB ILE A 47 0.417 -1.641 10.811 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.010 -1.563 9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.878 -1.061 10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.139 -0.729 8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.800 -2.355 8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.433 -2.140 7.821 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.879 0.902 9.184 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.320 0.769 10.033 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.455 0.259 8.333 1.00 0.00 H new ATOM 722 N SER A 48 -2.647 -3.471 11.090 1.00 0.00 N ATOM 723 CA SER A 48 -3.618 -3.683 12.150 1.00 0.00 C ATOM 724 C SER A 48 -3.319 -4.995 12.879 1.00 0.00 C ATOM 725 O SER A 48 -3.665 -5.153 14.048 1.00 0.00 O ATOM 726 CB SER A 48 -5.044 -3.696 11.597 1.00 0.00 C ATOM 727 OG SER A 48 -5.436 -4.995 11.161 1.00 0.00 O ATOM 0 H SER A 48 -3.040 -3.126 10.214 1.00 0.00 H new ATOM 0 HA SER A 48 -3.539 -2.856 12.856 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.734 -3.348 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.116 -2.997 10.764 1.00 0.00 H new ATOM 0 HG SER A 48 -5.260 -5.085 10.201 1.00 0.00 H new ATOM 733 N GLN A 49 -2.679 -5.903 12.156 1.00 0.00 N ATOM 734 CA GLN A 49 -2.330 -7.197 12.719 1.00 0.00 C ATOM 735 C GLN A 49 -1.569 -7.015 14.034 1.00 0.00 C ATOM 736 O GLN A 49 -1.763 -7.780 14.978 1.00 0.00 O ATOM 737 CB GLN A 49 -1.516 -8.026 11.724 1.00 0.00 C ATOM 738 CG GLN A 49 -2.430 -8.728 10.718 1.00 0.00 C ATOM 739 CD GLN A 49 -2.532 -10.224 11.021 1.00 0.00 C ATOM 740 OE1 GLN A 49 -2.940 -10.640 12.093 1.00 0.00 O ATOM 741 NE2 GLN A 49 -2.140 -11.007 10.020 1.00 0.00 N ATOM 0 H GLN A 49 -2.393 -5.768 11.186 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.251 -7.742 12.927 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.815 -7.380 11.195 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.924 -8.767 12.261 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.423 -8.279 10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.045 -8.583 9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.809 -10.593 9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.170 -12.021 10.124 1.00 0.00 H new ATOM 750 N ASP A 50 -0.719 -5.999 14.054 1.00 0.00 N ATOM 751 CA ASP A 50 0.072 -5.707 15.237 1.00 0.00 C ATOM 752 C ASP A 50 0.331 -4.202 15.314 1.00 0.00 C ATOM 753 O ASP A 50 0.192 -3.492 14.318 1.00 0.00 O ATOM 754 CB ASP A 50 1.426 -6.418 15.183 1.00 0.00 C ATOM 755 CG ASP A 50 1.900 -7.008 16.513 1.00 0.00 C ATOM 756 OD1 ASP A 50 2.272 -6.201 17.392 1.00 0.00 O ATOM 757 OD2 ASP A 50 1.880 -8.253 16.620 1.00 0.00 O ATOM 0 H ASP A 50 -0.561 -5.367 13.269 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.484 -6.054 16.108 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.369 -7.220 14.447 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.176 -5.712 14.828 1.00 0.00 H new ATOM 762 N ASN A 51 0.704 -3.757 16.505 1.00 0.00 N ATOM 763 CA ASN A 51 0.984 -2.349 16.725 1.00 0.00 C ATOM 764 C ASN A 51 2.392 -2.028 16.220 1.00 0.00 C ATOM 765 O ASN A 51 2.622 -0.967 15.642 1.00 0.00 O ATOM 766 CB ASN A 51 0.924 -2.001 18.214 1.00 0.00 C ATOM 767 CG ASN A 51 -0.522 -1.816 18.676 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.471 -2.126 17.973 1.00 0.00 O ATOM 769 ND2 ASN A 51 -0.638 -1.296 19.895 1.00 0.00 N ATOM 0 H ASN A 51 0.819 -4.348 17.328 1.00 0.00 H new ATOM 0 HA ASN A 51 0.233 -1.768 16.189 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.397 -2.793 18.795 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.489 -1.088 18.401 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.562 -1.134 20.295 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.197 -1.059 20.430 1.00 0.00 H new ATOM 776 N ALA A 52 3.299 -2.965 16.458 1.00 0.00 N ATOM 777 CA ALA A 52 4.678 -2.795 16.035 1.00 0.00 C ATOM 778 C ALA A 52 4.716 -2.529 14.529 1.00 0.00 C ATOM 779 O ALA A 52 5.687 -1.973 14.018 1.00 0.00 O ATOM 780 CB ALA A 52 5.489 -4.032 16.429 1.00 0.00 C ATOM 0 H ALA A 52 3.105 -3.844 16.938 1.00 0.00 H new ATOM 0 HA ALA A 52 5.129 -1.937 16.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.524 -3.905 16.112 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.454 -4.160 17.511 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.067 -4.913 15.945 1.00 0.00 H new ATOM 786 N LEU A 53 3.647 -2.937 13.861 1.00 0.00 N ATOM 787 CA LEU A 53 3.546 -2.749 12.424 1.00 0.00 C ATOM 788 C LEU A 53 3.505 -1.251 12.111 1.00 0.00 C ATOM 789 O LEU A 53 4.471 -0.696 11.590 1.00 0.00 O ATOM 790 CB LEU A 53 2.354 -3.527 11.864 1.00 0.00 C ATOM 791 CG LEU A 53 2.633 -4.970 11.441 1.00 0.00 C ATOM 792 CD1 LEU A 53 3.577 -5.016 10.238 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.163 -5.793 12.617 1.00 0.00 C ATOM 0 H LEU A 53 2.843 -3.397 14.289 1.00 0.00 H new ATOM 0 HA LEU A 53 4.425 -3.155 11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.566 -3.536 12.617 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.965 -2.985 11.002 1.00 0.00 H new ATOM 0 HG LEU A 53 1.692 -5.423 11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.759 -6.054 9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.124 -4.488 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.522 -4.540 10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.353 -6.815 12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.090 -5.351 12.982 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.424 -5.800 13.418 1.00 0.00 H new ATOM 805 N ARG A 54 2.377 -0.641 12.443 1.00 0.00 N ATOM 806 CA ARG A 54 2.198 0.781 12.205 1.00 0.00 C ATOM 807 C ARG A 54 3.504 1.533 12.470 1.00 0.00 C ATOM 808 O ARG A 54 4.019 2.220 11.589 1.00 0.00 O ATOM 809 CB ARG A 54 1.096 1.355 13.098 1.00 0.00 C ATOM 810 CG ARG A 54 0.755 2.791 12.695 1.00 0.00 C ATOM 811 CD ARG A 54 -0.669 3.156 13.119 1.00 0.00 C ATOM 812 NE ARG A 54 -1.501 3.419 11.924 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.836 3.529 11.948 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.498 3.399 13.106 1.00 0.00 N ATOM 815 NH2 ARG A 54 -3.510 3.768 10.815 1.00 0.00 N ATOM 0 H ARG A 54 1.578 -1.105 12.875 1.00 0.00 H new ATOM 0 HA ARG A 54 1.907 0.908 11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.204 0.732 13.027 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.418 1.333 14.139 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.463 3.480 13.156 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.857 2.904 11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.103 2.344 13.703 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.652 4.037 13.761 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.029 3.523 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.985 3.216 13.969 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.514 3.483 13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.007 3.866 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.526 3.852 10.834 1.00 0.00 H new ATOM 829 N ASP A 55 4.002 1.377 13.688 1.00 0.00 N ATOM 830 CA ASP A 55 5.238 2.033 14.080 1.00 0.00 C ATOM 831 C ASP A 55 6.344 1.661 13.091 1.00 0.00 C ATOM 832 O ASP A 55 7.024 2.535 12.557 1.00 0.00 O ATOM 833 CB ASP A 55 5.680 1.585 15.475 1.00 0.00 C ATOM 834 CG ASP A 55 6.553 2.589 16.230 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.242 3.796 16.134 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.512 2.127 16.886 1.00 0.00 O ATOM 0 H ASP A 55 3.572 0.806 14.416 1.00 0.00 H new ATOM 0 HA ASP A 55 5.062 3.109 14.085 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.792 1.378 16.072 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.228 0.647 15.382 1.00 0.00 H new ATOM 841 N GLU A 56 6.489 0.361 12.877 1.00 0.00 N ATOM 842 CA GLU A 56 7.501 -0.138 11.961 1.00 0.00 C ATOM 843 C GLU A 56 7.456 0.641 10.645 1.00 0.00 C ATOM 844 O GLU A 56 8.482 1.129 10.172 1.00 0.00 O ATOM 845 CB GLU A 56 7.328 -1.638 11.717 1.00 0.00 C ATOM 846 CG GLU A 56 8.238 -2.452 12.638 1.00 0.00 C ATOM 847 CD GLU A 56 8.455 -3.863 12.088 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.433 -4.528 11.813 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.638 -4.245 11.954 1.00 0.00 O ATOM 0 H GLU A 56 5.923 -0.361 13.322 1.00 0.00 H new ATOM 0 HA GLU A 56 8.480 0.012 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.289 -1.920 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.557 -1.870 10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.198 -1.948 12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.796 -2.510 13.633 1.00 0.00 H new ATOM 856 N MET A 57 6.256 0.733 10.090 1.00 0.00 N ATOM 857 CA MET A 57 6.064 1.444 8.837 1.00 0.00 C ATOM 858 C MET A 57 6.451 2.918 8.978 1.00 0.00 C ATOM 859 O MET A 57 7.087 3.484 8.091 1.00 0.00 O ATOM 860 CB MET A 57 4.599 1.339 8.410 1.00 0.00 C ATOM 861 CG MET A 57 4.389 1.938 7.018 1.00 0.00 C ATOM 862 SD MET A 57 4.233 3.713 7.134 1.00 0.00 S ATOM 863 CE MET A 57 2.685 3.831 8.015 1.00 0.00 C ATOM 0 H MET A 57 5.408 0.327 10.485 1.00 0.00 H new ATOM 0 HA MET A 57 6.705 0.990 8.081 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.291 0.294 8.410 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.968 1.858 9.132 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.228 1.680 6.372 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.494 1.515 6.562 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.198 4.775 7.770 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.038 3.003 7.726 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.873 3.788 9.088 1.00 0.00 H new ATOM 873 N ARG A 58 6.050 3.497 10.100 1.00 0.00 N ATOM 874 CA ARG A 58 6.346 4.894 10.369 1.00 0.00 C ATOM 875 C ARG A 58 7.858 5.126 10.365 1.00 0.00 C ATOM 876 O ARG A 58 8.338 6.110 9.803 1.00 0.00 O ATOM 877 CB ARG A 58 5.774 5.328 11.720 1.00 0.00 C ATOM 878 CG ARG A 58 4.312 5.757 11.584 1.00 0.00 C ATOM 879 CD ARG A 58 3.542 5.498 12.881 1.00 0.00 C ATOM 880 NE ARG A 58 2.114 5.844 12.699 1.00 0.00 N ATOM 881 CZ ARG A 58 1.252 6.027 13.708 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.666 5.899 14.976 1.00 0.00 N ATOM 883 NH2 ARG A 58 -0.026 6.339 13.449 1.00 0.00 N ATOM 0 H ARG A 58 5.522 3.024 10.834 1.00 0.00 H new ATOM 0 HA ARG A 58 5.881 5.489 9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.851 4.507 12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.363 6.153 12.120 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.262 6.816 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.844 5.212 10.764 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.637 4.451 13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.968 6.090 13.691 1.00 0.00 H new ATOM 0 HE ARG A 58 1.765 5.950 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.638 5.662 15.174 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.009 6.039 15.744 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.342 6.437 12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.683 6.478 14.217 1.00 0.00 H new ATOM 897 N THR A 59 8.568 4.203 10.998 1.00 0.00 N ATOM 898 CA THR A 59 10.016 4.295 11.074 1.00 0.00 C ATOM 899 C THR A 59 10.634 4.151 9.682 1.00 0.00 C ATOM 900 O THR A 59 11.508 4.929 9.303 1.00 0.00 O ATOM 901 CB THR A 59 10.505 3.239 12.068 1.00 0.00 C ATOM 902 OG1 THR A 59 10.325 3.852 13.342 1.00 0.00 O ATOM 903 CG2 THR A 59 12.014 3.004 11.977 1.00 0.00 C ATOM 0 H THR A 59 8.167 3.388 11.463 1.00 0.00 H new ATOM 0 HA THR A 59 10.331 5.274 11.435 1.00 0.00 H new ATOM 0 HB THR A 59 9.980 2.301 11.888 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.616 3.235 14.046 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.309 2.246 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.269 2.664 10.973 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.541 3.934 12.190 1.00 0.00 H new ATOM 911 N LEU A 60 10.155 3.151 8.958 1.00 0.00 N ATOM 912 CA LEU A 60 10.649 2.895 7.615 1.00 0.00 C ATOM 913 C LEU A 60 10.391 4.122 6.739 1.00 0.00 C ATOM 914 O LEU A 60 11.298 4.614 6.070 1.00 0.00 O ATOM 915 CB LEU A 60 10.045 1.604 7.059 1.00 0.00 C ATOM 916 CG LEU A 60 10.508 0.306 7.723 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.460 -0.797 7.561 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.878 -0.122 7.193 1.00 0.00 C ATOM 0 H LEU A 60 9.430 2.508 9.275 1.00 0.00 H new ATOM 0 HA LEU A 60 11.727 2.735 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.960 1.667 7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.276 1.547 5.995 1.00 0.00 H new ATOM 0 HG LEU A 60 10.619 0.489 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.814 -1.709 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.525 -0.482 8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.293 -0.987 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.184 -1.047 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.818 -0.282 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.609 0.658 7.403 1.00 0.00 H new ATOM 930 N ALA A 61 9.148 4.582 6.771 1.00 0.00 N ATOM 931 CA ALA A 61 8.760 5.743 5.988 1.00 0.00 C ATOM 932 C ALA A 61 9.667 6.921 6.346 1.00 0.00 C ATOM 933 O ALA A 61 10.329 7.486 5.477 1.00 0.00 O ATOM 934 CB ALA A 61 7.281 6.050 6.231 1.00 0.00 C ATOM 0 H ALA A 61 8.397 4.172 7.327 1.00 0.00 H new ATOM 0 HA ALA A 61 8.882 5.546 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.989 6.921 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.678 5.193 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.121 6.256 7.289 1.00 0.00 H new ATOM 940 N GLY A 62 9.668 7.258 7.628 1.00 0.00 N ATOM 941 CA GLY A 62 10.483 8.360 8.111 1.00 0.00 C ATOM 942 C GLY A 62 9.619 9.423 8.792 1.00 0.00 C ATOM 943 O GLY A 62 9.850 10.619 8.620 1.00 0.00 O ATOM 0 H GLY A 62 9.118 6.787 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.227 7.986 8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.027 8.807 7.279 1.00 0.00 H new ATOM 947 N ASN A 63 8.642 8.949 9.551 1.00 0.00 N ATOM 948 CA ASN A 63 7.743 9.844 10.259 1.00 0.00 C ATOM 949 C ASN A 63 6.837 9.026 11.182 1.00 0.00 C ATOM 950 O ASN A 63 6.218 8.056 10.748 1.00 0.00 O ATOM 951 CB ASN A 63 6.851 10.614 9.283 1.00 0.00 C ATOM 952 CG ASN A 63 6.431 11.963 9.871 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.191 12.639 10.545 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.182 12.315 9.579 1.00 0.00 N ATOM 0 H ASN A 63 8.453 7.956 9.691 1.00 0.00 H new ATOM 0 HA ASN A 63 8.349 10.549 10.828 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.384 10.772 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.965 10.023 9.051 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.807 13.198 9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.599 11.702 9.009 1.00 0.00 H new ATOM 961 N PRO A 64 6.788 9.458 12.470 1.00 0.00 N ATOM 962 CA PRO A 64 5.969 8.777 13.458 1.00 0.00 C ATOM 963 C PRO A 64 4.487 9.099 13.257 1.00 0.00 C ATOM 964 O PRO A 64 3.623 8.271 13.545 1.00 0.00 O ATOM 965 CB PRO A 64 6.502 9.245 14.802 1.00 0.00 C ATOM 966 CG PRO A 64 7.284 10.518 14.520 1.00 0.00 C ATOM 967 CD PRO A 64 7.509 10.604 13.019 1.00 0.00 C ATOM 0 HA PRO A 64 6.029 7.692 13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.687 9.434 15.501 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.141 8.486 15.254 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.734 11.390 14.874 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.237 10.506 15.049 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.129 11.542 12.615 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.570 10.559 12.774 1.00 0.00 H new ATOM 975 N LYS A 65 4.237 10.303 12.764 1.00 0.00 N ATOM 976 CA LYS A 65 2.874 10.744 12.521 1.00 0.00 C ATOM 977 C LYS A 65 2.487 10.419 11.077 1.00 0.00 C ATOM 978 O LYS A 65 1.855 11.230 10.402 1.00 0.00 O ATOM 979 CB LYS A 65 2.718 12.223 12.882 1.00 0.00 C ATOM 980 CG LYS A 65 2.319 12.390 14.349 1.00 0.00 C ATOM 981 CD LYS A 65 0.897 12.940 14.472 1.00 0.00 C ATOM 982 CE LYS A 65 0.913 14.439 14.779 1.00 0.00 C ATOM 983 NZ LYS A 65 0.567 14.681 16.197 1.00 0.00 N ATOM 0 H LYS A 65 4.955 10.987 12.526 1.00 0.00 H new ATOM 0 HA LYS A 65 2.179 10.207 13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.655 12.748 12.694 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.963 12.680 12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.386 11.429 14.859 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.017 13.064 14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.353 12.761 13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.365 12.409 15.262 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.899 14.850 14.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.204 14.956 14.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.582 15.703 16.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.384 14.307 16.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.259 14.204 16.809 1.00 0.00 H new ATOM 997 N ALA A 66 2.883 9.231 10.645 1.00 0.00 N ATOM 998 CA ALA A 66 2.585 8.789 9.293 1.00 0.00 C ATOM 999 C ALA A 66 1.327 7.918 9.312 1.00 0.00 C ATOM 1000 O ALA A 66 0.841 7.546 10.378 1.00 0.00 O ATOM 1001 CB ALA A 66 3.796 8.051 8.719 1.00 0.00 C ATOM 0 H ALA A 66 3.408 8.561 11.207 1.00 0.00 H new ATOM 0 HA ALA A 66 2.386 9.642 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.573 7.719 7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.655 8.721 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.024 7.186 9.342 1.00 0.00 H new ATOM 1007 N THR A 67 0.836 7.619 8.118 1.00 0.00 N ATOM 1008 CA THR A 67 -0.356 6.799 7.983 1.00 0.00 C ATOM 1009 C THR A 67 -0.362 6.084 6.631 1.00 0.00 C ATOM 1010 O THR A 67 0.349 6.485 5.710 1.00 0.00 O ATOM 1011 CB THR A 67 -1.575 7.698 8.201 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.333 8.822 7.359 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.621 8.291 9.611 1.00 0.00 C ATOM 0 H THR A 67 1.242 7.930 7.235 1.00 0.00 H new ATOM 0 HA THR A 67 -0.379 6.008 8.733 1.00 0.00 H new ATOM 0 HB THR A 67 -2.485 7.126 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.077 9.456 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.505 8.920 9.712 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.664 7.485 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.727 8.891 9.783 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.194 5.011 6.551 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.302 4.237 5.326 1.00 0.00 C ATOM 1023 C PRO A 68 -2.116 4.990 4.272 1.00 0.00 C ATOM 1024 O PRO A 68 -2.774 5.982 4.582 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.943 2.924 5.746 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.593 3.190 7.094 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.051 4.509 7.621 1.00 0.00 C ATOM 0 HA PRO A 68 -0.336 4.060 4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.682 2.598 5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.198 2.132 5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.677 3.236 6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.372 2.381 7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.857 5.208 7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.489 4.366 8.544 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.043 4.476 3.015 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.240 3.298 2.733 1.00 0.00 C ATOM 1037 C PRO A 69 0.251 3.641 2.717 1.00 0.00 C ATOM 1038 O PRO A 69 0.635 4.772 3.015 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.746 2.788 1.394 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.487 3.953 0.757 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.719 5.001 1.833 1.00 0.00 C ATOM 0 HA PRO A 69 -1.338 2.530 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.920 2.459 0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.406 1.931 1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.906 4.372 -0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.436 3.619 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.309 5.967 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.783 5.149 2.019 1.00 0.00 H new ATOM 1049 N GLN A 70 1.051 2.645 2.367 1.00 0.00 N ATOM 1050 CA GLN A 70 2.492 2.828 2.308 1.00 0.00 C ATOM 1051 C GLN A 70 3.121 1.784 1.384 1.00 0.00 C ATOM 1052 O GLN A 70 3.096 0.590 1.681 1.00 0.00 O ATOM 1053 CB GLN A 70 3.110 2.766 3.706 1.00 0.00 C ATOM 1054 CG GLN A 70 4.045 3.953 3.944 1.00 0.00 C ATOM 1055 CD GLN A 70 3.286 5.138 4.546 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.290 4.985 5.233 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.812 6.323 4.251 1.00 0.00 N ATOM 0 H GLN A 70 0.729 1.709 2.121 1.00 0.00 H new ATOM 0 HA GLN A 70 2.697 3.818 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.320 2.764 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.663 1.834 3.822 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.852 3.656 4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.505 4.252 3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.648 6.379 3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.379 7.176 4.606 1.00 0.00 H new ATOM 1066 N ILE A 71 3.672 2.271 0.281 1.00 0.00 N ATOM 1067 CA ILE A 71 4.307 1.395 -0.688 1.00 0.00 C ATOM 1068 C ILE A 71 5.776 1.198 -0.306 1.00 0.00 C ATOM 1069 O ILE A 71 6.475 2.161 0.004 1.00 0.00 O ATOM 1070 CB ILE A 71 4.108 1.932 -2.107 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.625 2.167 -2.401 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.758 1.008 -3.139 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.235 3.620 -2.122 1.00 0.00 C ATOM 0 H ILE A 71 3.691 3.261 0.038 1.00 0.00 H new ATOM 0 HA ILE A 71 3.839 0.411 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 71 4.608 2.898 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.414 1.923 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.019 1.500 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.602 1.413 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.827 0.935 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.309 0.017 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.176 3.761 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.425 3.853 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.826 4.283 -2.754 1.00 0.00 H new ATOM 1085 N VAL A 72 6.200 -0.057 -0.340 1.00 0.00 N ATOM 1086 CA VAL A 72 7.572 -0.393 -0.001 1.00 0.00 C ATOM 1087 C VAL A 72 8.128 -1.365 -1.044 1.00 0.00 C ATOM 1088 O VAL A 72 7.411 -2.242 -1.523 1.00 0.00 O ATOM 1089 CB VAL A 72 7.639 -0.943 1.425 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.083 -0.988 1.928 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.754 -0.128 2.370 1.00 0.00 C ATOM 0 H VAL A 72 5.617 -0.853 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 72 8.199 0.498 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 72 7.258 -1.964 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.102 -1.383 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.675 -1.632 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.502 0.018 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.820 -0.540 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.090 0.909 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.720 -0.171 2.028 1.00 0.00 H new ATOM 1101 N ASN A 73 9.399 -1.175 -1.364 1.00 0.00 N ATOM 1102 CA ASN A 73 10.059 -2.024 -2.342 1.00 0.00 C ATOM 1103 C ASN A 73 11.157 -2.834 -1.649 1.00 0.00 C ATOM 1104 O ASN A 73 12.214 -2.298 -1.320 1.00 0.00 O ATOM 1105 CB ASN A 73 10.711 -1.190 -3.445 1.00 0.00 C ATOM 1106 CG ASN A 73 10.043 -1.449 -4.797 1.00 0.00 C ATOM 1107 OD1 ASN A 73 9.115 -0.767 -5.201 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.563 -2.470 -5.471 1.00 0.00 N ATOM 0 H ASN A 73 9.990 -0.446 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 73 9.307 -2.678 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.638 -0.131 -3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.772 -1.430 -3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.185 -2.724 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.340 -3.000 -5.075 1.00 0.00 H new ATOM 1115 N GLY A 74 10.869 -4.111 -1.448 1.00 0.00 N ATOM 1116 CA GLY A 74 11.819 -4.999 -0.800 1.00 0.00 C ATOM 1117 C GLY A 74 12.202 -4.477 0.586 1.00 0.00 C ATOM 1118 O GLY A 74 11.623 -4.887 1.590 1.00 0.00 O ATOM 0 H GLY A 74 9.991 -4.552 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.387 -5.996 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.713 -5.093 -1.417 1.00 0.00 H new ATOM 1122 N ASN A 75 13.177 -3.579 0.596 1.00 0.00 N ATOM 1123 CA ASN A 75 13.644 -2.995 1.842 1.00 0.00 C ATOM 1124 C ASN A 75 13.735 -1.476 1.686 1.00 0.00 C ATOM 1125 O ASN A 75 14.260 -0.789 2.561 1.00 0.00 O ATOM 1126 CB ASN A 75 15.035 -3.517 2.207 1.00 0.00 C ATOM 1127 CG ASN A 75 16.012 -3.335 1.044 1.00 0.00 C ATOM 1128 OD1 ASN A 75 15.848 -3.889 -0.031 1.00 0.00 O ATOM 1129 ND2 ASN A 75 17.034 -2.529 1.317 1.00 0.00 N ATOM 0 H ASN A 75 13.656 -3.242 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 75 12.939 -3.267 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.407 -2.989 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.973 -4.572 2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.741 -2.342 0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.111 -2.097 2.238 1.00 0.00 H new ATOM 1136 N HIS A 76 13.215 -0.996 0.566 1.00 0.00 N ATOM 1137 CA HIS A 76 13.231 0.430 0.285 1.00 0.00 C ATOM 1138 C HIS A 76 11.837 1.015 0.521 1.00 0.00 C ATOM 1139 O HIS A 76 10.839 0.299 0.454 1.00 0.00 O ATOM 1140 CB HIS A 76 13.755 0.699 -1.127 1.00 0.00 C ATOM 1141 CG HIS A 76 15.160 0.198 -1.366 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.283 0.881 -0.932 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.611 -0.923 -1.997 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.356 0.192 -1.292 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.937 -0.926 -1.952 1.00 0.00 N ATOM 0 H HIS A 76 12.780 -1.569 -0.157 1.00 0.00 H new ATOM 0 HA HIS A 76 13.918 0.931 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.085 0.230 -1.848 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.726 1.772 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.993 -1.681 -2.456 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.382 0.467 -1.097 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.543 -1.646 -2.346 1.00 0.00 H new ATOM 1153 N TYR A 77 11.813 2.312 0.793 1.00 0.00 N ATOM 1154 CA TYR A 77 10.559 3.002 1.039 1.00 0.00 C ATOM 1155 C TYR A 77 10.129 3.813 -0.185 1.00 0.00 C ATOM 1156 O TYR A 77 10.689 4.873 -0.459 1.00 0.00 O ATOM 1157 CB TYR A 77 10.825 3.959 2.202 1.00 0.00 C ATOM 1158 CG TYR A 77 9.697 4.961 2.455 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.395 4.519 2.576 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.981 6.308 2.561 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.334 5.462 2.814 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.919 7.251 2.799 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.648 6.781 2.913 1.00 0.00 C ATOM 1164 OH TYR A 77 6.645 7.672 3.138 1.00 0.00 O ATOM 0 H TYR A 77 12.643 2.903 0.848 1.00 0.00 H new ATOM 0 HA TYR A 77 9.765 2.288 1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.989 3.376 3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.746 4.507 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.172 3.466 2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.999 6.654 2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.311 5.129 2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.127 8.307 2.885 1.00 0.00 H new ATOM 0 HH TYR A 77 7.017 8.577 3.187 1.00 0.00 H new ATOM 1174 N CYS A 78 9.139 3.283 -0.888 1.00 0.00 N ATOM 1175 CA CYS A 78 8.628 3.944 -2.077 1.00 0.00 C ATOM 1176 C CYS A 78 8.151 5.343 -1.681 1.00 0.00 C ATOM 1177 O CYS A 78 8.792 6.339 -2.015 1.00 0.00 O ATOM 1178 CB CYS A 78 7.517 3.130 -2.743 1.00 0.00 C ATOM 1179 SG CYS A 78 8.135 1.463 -3.175 1.00 0.00 S ATOM 0 H CYS A 78 8.677 2.403 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 78 9.422 4.028 -2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.663 3.047 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.168 3.641 -3.640 1.00 0.00 H new ATOM 0 HG CYS A 78 8.988 1.556 -4.152 1.00 0.00 H new ATOM 1185 N GLY A 79 7.031 5.374 -0.974 1.00 0.00 N ATOM 1186 CA GLY A 79 6.461 6.634 -0.529 1.00 0.00 C ATOM 1187 C GLY A 79 5.032 6.440 -0.017 1.00 0.00 C ATOM 1188 O GLY A 79 4.660 5.341 0.391 1.00 0.00 O ATOM 0 H GLY A 79 6.503 4.546 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.080 7.058 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.462 7.348 -1.352 1.00 0.00 H new ATOM 1192 N ASP A 80 4.271 7.524 -0.057 1.00 0.00 N ATOM 1193 CA ASP A 80 2.892 7.486 0.398 1.00 0.00 C ATOM 1194 C ASP A 80 1.961 7.431 -0.816 1.00 0.00 C ATOM 1195 O ASP A 80 2.410 7.561 -1.953 1.00 0.00 O ATOM 1196 CB ASP A 80 2.543 8.738 1.204 1.00 0.00 C ATOM 1197 CG ASP A 80 2.201 9.972 0.367 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.739 10.062 -0.757 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.408 10.798 0.871 1.00 0.00 O ATOM 0 H ASP A 80 4.583 8.433 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 80 2.769 6.605 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.696 8.511 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.384 8.980 1.853 1.00 0.00 H new ATOM 1204 N TYR A 81 0.681 7.238 -0.531 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.317 7.165 -1.585 1.00 0.00 C ATOM 1206 C TYR A 81 -0.157 8.322 -2.573 1.00 0.00 C ATOM 1207 O TYR A 81 -0.056 8.103 -3.779 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.674 7.287 -0.889 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.831 7.612 -1.836 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.110 8.924 -2.160 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.596 6.593 -2.366 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.199 9.230 -3.051 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.685 6.899 -3.257 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.933 8.202 -3.556 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.961 8.491 -4.397 1.00 0.00 O ATOM 0 H TYR A 81 0.312 7.130 0.414 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.217 6.235 -2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.892 6.352 -0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.612 8.064 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.511 9.722 -1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.378 5.566 -2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.428 10.253 -3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.291 6.111 -3.678 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.241 7.676 -4.864 1.00 0.00 H new ATOM 1225 N GLU A 82 -0.140 9.528 -2.025 1.00 0.00 N ATOM 1226 CA GLU A 82 0.006 10.720 -2.843 1.00 0.00 C ATOM 1227 C GLU A 82 1.199 10.572 -3.789 1.00 0.00 C ATOM 1228 O GLU A 82 1.088 10.853 -4.982 1.00 0.00 O ATOM 1229 CB GLU A 82 0.149 11.969 -1.971 1.00 0.00 C ATOM 1230 CG GLU A 82 -1.203 12.396 -1.398 1.00 0.00 C ATOM 1231 CD GLU A 82 -1.444 13.891 -1.617 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -1.481 14.292 -2.800 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -1.586 14.599 -0.597 1.00 0.00 O ATOM 0 H GLU A 82 -0.225 9.705 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.896 10.838 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.846 11.771 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.571 12.782 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.000 11.822 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.238 12.171 -0.332 1.00 0.00 H new ATOM 1240 N LEU A 83 2.312 10.130 -3.223 1.00 0.00 N ATOM 1241 CA LEU A 83 3.524 9.941 -4.001 1.00 0.00 C ATOM 1242 C LEU A 83 3.260 8.918 -5.108 1.00 0.00 C ATOM 1243 O LEU A 83 3.555 9.170 -6.275 1.00 0.00 O ATOM 1244 CB LEU A 83 4.695 9.572 -3.089 1.00 0.00 C ATOM 1245 CG LEU A 83 5.617 10.723 -2.682 1.00 0.00 C ATOM 1246 CD1 LEU A 83 4.867 11.755 -1.838 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.866 10.199 -1.970 1.00 0.00 C ATOM 0 H LEU A 83 2.400 9.897 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 83 3.812 10.872 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.295 9.116 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.295 8.812 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 83 5.951 11.230 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.546 12.562 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.035 12.161 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.485 11.278 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.505 11.037 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.572 9.653 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.413 9.533 -2.637 1.00 0.00 H new ATOM 1259 N PHE A 84 2.707 7.784 -4.701 1.00 0.00 N ATOM 1260 CA PHE A 84 2.400 6.721 -5.644 1.00 0.00 C ATOM 1261 C PHE A 84 1.562 7.248 -6.810 1.00 0.00 C ATOM 1262 O PHE A 84 1.963 7.136 -7.968 1.00 0.00 O ATOM 1263 CB PHE A 84 1.590 5.670 -4.883 1.00 0.00 C ATOM 1264 CG PHE A 84 1.042 4.547 -5.767 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.788 3.432 -5.990 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.190 4.665 -6.331 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.280 2.390 -6.810 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.698 3.623 -7.151 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.047 2.508 -7.373 1.00 0.00 C ATOM 0 H PHE A 84 2.464 7.578 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 84 3.322 6.307 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.219 5.234 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.757 6.162 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.767 3.339 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.782 5.551 -6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.872 1.504 -6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.677 3.716 -7.598 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.340 1.716 -7.996 1.00 0.00 H new ATOM 1279 N VAL A 85 0.414 7.812 -6.465 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.484 8.357 -7.469 1.00 0.00 C ATOM 1281 C VAL A 85 0.300 9.285 -8.399 1.00 0.00 C ATOM 1282 O VAL A 85 0.375 9.046 -9.603 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.669 9.049 -6.792 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -2.783 9.340 -7.799 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.192 8.218 -5.619 1.00 0.00 C ATOM 0 H VAL A 85 0.085 7.903 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.900 7.558 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.319 10.002 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.613 9.832 -7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.401 9.991 -8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.130 8.405 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.034 8.732 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.517 7.243 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.398 8.086 -4.884 1.00 0.00 H new ATOM 1295 N GLU A 86 0.865 10.326 -7.804 1.00 0.00 N ATOM 1296 CA GLU A 86 1.640 11.292 -8.564 1.00 0.00 C ATOM 1297 C GLU A 86 2.462 10.582 -9.642 1.00 0.00 C ATOM 1298 O GLU A 86 2.344 10.897 -10.825 1.00 0.00 O ATOM 1299 CB GLU A 86 2.541 12.118 -7.643 1.00 0.00 C ATOM 1300 CG GLU A 86 2.722 13.538 -8.183 1.00 0.00 C ATOM 1301 CD GLU A 86 4.125 13.729 -8.762 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.461 12.972 -9.698 1.00 0.00 O ATOM 1303 OE2 GLU A 86 4.831 14.628 -8.255 1.00 0.00 O ATOM 0 H GLU A 86 0.801 10.521 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 86 0.949 11.978 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.107 12.158 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.513 11.634 -7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.977 13.736 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.553 14.259 -7.383 1.00 0.00 H new ATOM 1310 N ALA A 87 3.276 9.638 -9.194 1.00 0.00 N ATOM 1311 CA ALA A 87 4.117 8.881 -10.106 1.00 0.00 C ATOM 1312 C ALA A 87 3.237 8.182 -11.144 1.00 0.00 C ATOM 1313 O ALA A 87 3.469 8.306 -12.345 1.00 0.00 O ATOM 1314 CB ALA A 87 4.976 7.896 -9.311 1.00 0.00 C ATOM 0 H ALA A 87 3.371 9.380 -8.212 1.00 0.00 H new ATOM 0 HA ALA A 87 4.795 9.545 -10.642 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.607 7.328 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.604 8.445 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.330 7.212 -8.761 1.00 0.00 H new ATOM 1320 N VAL A 88 2.245 7.461 -10.642 1.00 0.00 N ATOM 1321 CA VAL A 88 1.328 6.742 -11.510 1.00 0.00 C ATOM 1322 C VAL A 88 0.866 7.668 -12.636 1.00 0.00 C ATOM 1323 O VAL A 88 1.073 7.372 -13.812 1.00 0.00 O ATOM 1324 CB VAL A 88 0.169 6.173 -10.690 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -0.979 5.729 -11.599 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.640 5.022 -9.799 1.00 0.00 C ATOM 0 H VAL A 88 2.056 7.359 -9.645 1.00 0.00 H new ATOM 0 HA VAL A 88 1.828 5.892 -11.974 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.204 6.966 -10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.790 5.328 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.342 6.583 -12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.624 4.959 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.204 4.636 -9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.052 4.226 -10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.408 5.382 -9.114 1.00 0.00 H new ATOM 1336 N GLU A 89 0.250 8.771 -12.237 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.243 9.743 -13.198 1.00 0.00 C ATOM 1338 C GLU A 89 0.875 10.153 -14.159 1.00 0.00 C ATOM 1339 O GLU A 89 0.757 9.970 -15.369 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.833 10.964 -12.490 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.812 10.541 -11.393 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.723 11.704 -10.994 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.517 12.127 -11.862 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -2.606 12.143 -9.829 1.00 0.00 O ATOM 0 H GLU A 89 0.081 9.013 -11.261 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.042 9.279 -13.777 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.030 11.560 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.345 11.597 -13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.416 9.704 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.259 10.192 -10.521 1.00 0.00 H new ATOM 1351 N GLN A 90 1.935 10.701 -13.583 1.00 0.00 N ATOM 1352 CA GLN A 90 3.073 11.139 -14.373 1.00 0.00 C ATOM 1353 C GLN A 90 3.457 10.064 -15.392 1.00 0.00 C ATOM 1354 O GLN A 90 4.048 10.368 -16.427 1.00 0.00 O ATOM 1355 CB GLN A 90 4.261 11.492 -13.475 1.00 0.00 C ATOM 1356 CG GLN A 90 4.071 12.866 -12.829 1.00 0.00 C ATOM 1357 CD GLN A 90 4.327 13.987 -13.840 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.378 14.077 -14.452 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.310 14.832 -13.978 1.00 0.00 N ATOM 0 H GLN A 90 2.030 10.852 -12.579 1.00 0.00 H new ATOM 0 HA GLN A 90 2.788 12.041 -14.915 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.373 10.734 -12.700 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.179 11.486 -14.062 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.058 12.950 -12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.751 12.972 -11.983 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.458 14.698 -13.434 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.382 15.615 -14.628 1.00 0.00 H new ATOM 1368 N ASP A 91 3.105 8.830 -15.064 1.00 0.00 N ATOM 1369 CA ASP A 91 3.406 7.709 -15.937 1.00 0.00 C ATOM 1370 C ASP A 91 4.855 7.271 -15.719 1.00 0.00 C ATOM 1371 O ASP A 91 5.484 6.720 -16.621 1.00 0.00 O ATOM 1372 CB ASP A 91 3.246 8.098 -17.408 1.00 0.00 C ATOM 1373 CG ASP A 91 2.606 7.028 -18.295 1.00 0.00 C ATOM 1374 OD1 ASP A 91 3.078 5.873 -18.220 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.661 7.390 -19.028 1.00 0.00 O ATOM 0 H ASP A 91 2.614 8.582 -14.205 1.00 0.00 H new ATOM 0 HA ASP A 91 2.713 6.902 -15.699 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.643 9.004 -17.465 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.228 8.343 -17.812 1.00 0.00 H new ATOM 1380 N THR A 92 5.344 7.533 -14.515 1.00 0.00 N ATOM 1381 CA THR A 92 6.708 7.173 -14.167 1.00 0.00 C ATOM 1382 C THR A 92 6.743 6.465 -12.811 1.00 0.00 C ATOM 1383 O THR A 92 7.613 6.739 -11.986 1.00 0.00 O ATOM 1384 CB THR A 92 7.558 8.445 -14.210 1.00 0.00 C ATOM 1385 OG1 THR A 92 7.261 9.104 -12.982 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.087 9.428 -15.284 1.00 0.00 C ATOM 0 H THR A 92 4.820 7.990 -13.769 1.00 0.00 H new ATOM 0 HA THR A 92 7.124 6.462 -14.881 1.00 0.00 H new ATOM 0 HB THR A 92 8.599 8.179 -14.393 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.664 8.608 -12.239 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.724 10.313 -15.272 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.145 8.952 -16.263 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.056 9.720 -15.083 1.00 0.00 H new ATOM 1394 N LEU A 93 5.785 5.569 -12.623 1.00 0.00 N ATOM 1395 CA LEU A 93 5.695 4.820 -11.381 1.00 0.00 C ATOM 1396 C LEU A 93 6.923 3.916 -11.246 1.00 0.00 C ATOM 1397 O LEU A 93 7.450 3.739 -10.149 1.00 0.00 O ATOM 1398 CB LEU A 93 4.366 4.066 -11.305 1.00 0.00 C ATOM 1399 CG LEU A 93 4.192 3.132 -10.106 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.632 3.887 -8.899 1.00 0.00 C ATOM 1401 CD2 LEU A 93 3.332 1.922 -10.475 1.00 0.00 C ATOM 0 H LEU A 93 5.065 5.345 -13.310 1.00 0.00 H new ATOM 0 HA LEU A 93 5.700 5.497 -10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.557 4.796 -11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.251 3.480 -12.217 1.00 0.00 H new ATOM 0 HG LEU A 93 5.174 2.755 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.518 3.200 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.317 4.688 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.661 4.312 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.224 1.274 -9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.348 2.260 -10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.810 1.368 -11.283 1.00 0.00 H new ATOM 1413 N GLN A 94 7.341 3.367 -12.377 1.00 0.00 N ATOM 1414 CA GLN A 94 8.496 2.486 -12.399 1.00 0.00 C ATOM 1415 C GLN A 94 9.706 3.181 -11.770 1.00 0.00 C ATOM 1416 O GLN A 94 10.594 2.522 -11.231 1.00 0.00 O ATOM 1417 CB GLN A 94 8.808 2.026 -13.824 1.00 0.00 C ATOM 1418 CG GLN A 94 7.926 0.841 -14.223 1.00 0.00 C ATOM 1419 CD GLN A 94 7.460 0.969 -15.675 1.00 0.00 C ATOM 1420 OE1 GLN A 94 8.216 1.311 -16.569 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.175 0.677 -15.859 1.00 0.00 N ATOM 0 H GLN A 94 6.900 3.515 -13.285 1.00 0.00 H new ATOM 0 HA GLN A 94 8.263 1.599 -11.809 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.651 2.851 -14.519 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.858 1.743 -13.897 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.481 -0.089 -14.096 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.060 0.789 -13.563 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.597 0.397 -15.067 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.768 0.733 -16.793 1.00 0.00 H new ATOM 1430 N GLU A 95 9.702 4.503 -11.861 1.00 0.00 N ATOM 1431 CA GLU A 95 10.788 5.294 -11.308 1.00 0.00 C ATOM 1432 C GLU A 95 10.628 5.429 -9.792 1.00 0.00 C ATOM 1433 O GLU A 95 11.480 4.973 -9.031 1.00 0.00 O ATOM 1434 CB GLU A 95 10.860 6.669 -11.976 1.00 0.00 C ATOM 1435 CG GLU A 95 11.921 6.687 -13.079 1.00 0.00 C ATOM 1436 CD GLU A 95 12.660 8.026 -13.106 1.00 0.00 C ATOM 1437 OE1 GLU A 95 11.960 9.061 -13.098 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.909 7.984 -13.135 1.00 0.00 O ATOM 0 H GLU A 95 8.964 5.046 -12.309 1.00 0.00 H new ATOM 0 HA GLU A 95 11.727 4.778 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.888 6.924 -12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.093 7.428 -11.230 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.633 5.878 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.449 6.508 -14.045 1.00 0.00 H new ATOM 1445 N PHE A 96 9.529 6.058 -9.399 1.00 0.00 N ATOM 1446 CA PHE A 96 9.247 6.259 -7.988 1.00 0.00 C ATOM 1447 C PHE A 96 9.602 5.012 -7.175 1.00 0.00 C ATOM 1448 O PHE A 96 10.201 5.114 -6.106 1.00 0.00 O ATOM 1449 CB PHE A 96 7.744 6.522 -7.866 1.00 0.00 C ATOM 1450 CG PHE A 96 7.200 6.371 -6.444 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.686 7.152 -5.443 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.229 5.455 -6.182 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.180 7.012 -4.124 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.724 5.314 -4.862 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.210 6.096 -3.861 1.00 0.00 C ATOM 0 H PHE A 96 8.824 6.435 -10.033 1.00 0.00 H new ATOM 0 HA PHE A 96 9.838 7.090 -7.605 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.532 7.531 -8.220 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.211 5.835 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.457 7.879 -5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.842 4.835 -6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.566 7.633 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.954 4.586 -4.653 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.826 5.989 -2.857 1.00 0.00 H new ATOM 1465 N LEU A 97 9.216 3.864 -7.713 1.00 0.00 N ATOM 1466 CA LEU A 97 9.486 2.599 -7.050 1.00 0.00 C ATOM 1467 C LEU A 97 10.967 2.250 -7.212 1.00 0.00 C ATOM 1468 O LEU A 97 11.788 3.123 -7.490 1.00 0.00 O ATOM 1469 CB LEU A 97 8.539 1.513 -7.563 1.00 0.00 C ATOM 1470 CG LEU A 97 7.063 1.904 -7.667 1.00 0.00 C ATOM 1471 CD1 LEU A 97 6.298 0.925 -8.559 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.431 2.032 -6.280 1.00 0.00 C ATOM 0 H LEU A 97 8.719 3.783 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 97 9.292 2.680 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.881 1.197 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.620 0.648 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 97 7.001 2.884 -8.140 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.252 1.226 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.732 0.929 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.365 -0.078 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.382 2.311 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.504 1.078 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.956 2.799 -5.710 1.00 0.00 H new ATOM 1484 N LYS A 98 11.264 0.972 -7.030 1.00 0.00 N ATOM 1485 CA LYS A 98 12.632 0.496 -7.152 1.00 0.00 C ATOM 1486 C LYS A 98 12.723 -0.487 -8.321 1.00 0.00 C ATOM 1487 O LYS A 98 13.401 -1.508 -8.226 1.00 0.00 O ATOM 1488 CB LYS A 98 13.118 -0.083 -5.822 1.00 0.00 C ATOM 1489 CG LYS A 98 14.211 0.796 -5.209 1.00 0.00 C ATOM 1490 CD LYS A 98 13.611 2.051 -4.572 1.00 0.00 C ATOM 1491 CE LYS A 98 14.710 2.979 -4.050 1.00 0.00 C ATOM 1492 NZ LYS A 98 14.941 4.094 -4.995 1.00 0.00 N ATOM 0 H LYS A 98 10.581 0.251 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 98 13.305 1.323 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.281 -0.165 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.502 -1.091 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.760 0.229 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.928 1.082 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.001 2.579 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.950 1.767 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.427 3.374 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.633 2.416 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 15.690 4.713 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.232 3.712 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.064 4.641 -5.108 1.00 0.00 H new ATOM 1506 N LEU A 99 12.030 -0.144 -9.397 1.00 0.00 N ATOM 1507 CA LEU A 99 12.024 -0.983 -10.582 1.00 0.00 C ATOM 1508 C LEU A 99 13.051 -0.451 -11.584 1.00 0.00 C ATOM 1509 O LEU A 99 13.807 -1.222 -12.172 1.00 0.00 O ATOM 1510 CB LEU A 99 10.609 -1.095 -11.153 1.00 0.00 C ATOM 1511 CG LEU A 99 9.656 -2.031 -10.407 1.00 0.00 C ATOM 1512 CD1 LEU A 99 9.104 -1.361 -9.147 1.00 0.00 C ATOM 1513 CD2 LEU A 99 8.540 -2.526 -11.329 1.00 0.00 C ATOM 0 H LEU A 99 11.469 0.704 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 99 12.322 -2.001 -10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.167 -0.099 -11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.682 -1.432 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 99 10.220 -2.907 -10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.429 -2.048 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.928 -1.100 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.561 -0.457 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.877 -3.189 -10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.972 -1.674 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.975 -3.068 -12.169 1.00 0.00 H new ATOM 1525 N ALA A 100 13.044 0.864 -11.747 1.00 0.00 N ATOM 1526 CA ALA A 100 13.966 1.509 -12.667 1.00 0.00 C ATOM 1527 C ALA A 100 14.310 2.904 -12.144 1.00 0.00 C ATOM 1528 O ALA A 100 13.697 3.382 -11.190 1.00 0.00 O ATOM 1529 CB ALA A 100 13.348 1.546 -14.066 1.00 0.00 C ATOM 0 H ALA A 100 12.415 1.500 -11.258 1.00 0.00 H new ATOM 0 HA ALA A 100 14.896 0.945 -12.736 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.039 2.030 -14.756 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.151 0.529 -14.404 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.413 2.106 -14.036 1.00 0.00 H new TER 1535 ALA A 100