USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 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 24 LYS NZ :NH3+ -166:sc=0.000878 (180deg=0) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.002 K(o=-0.00011,f=-0.84) USER MOD Set 1.3: A 64 MET CE :methyl -172:sc=-0.00298 (180deg=-0.13) USER MOD Set 2.1: A 14 CYS SG : rot 9:sc= 0.251 USER MOD Set 2.2: A 17 CYS SG : rot -170:sc= 0.226 USER MOD Set 3.1: A 7 MET CE :methyl -115:sc= -0.0113 (180deg=-0.0912) USER MOD Set 3.2: A 57 MET CE :methyl 133:sc= -2.07 (180deg=-6.84!) USER MOD Single : A 6 LYS NZ :NH3+ -133:sc= 1.13 (180deg=0.57) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 1.12 (180deg=1.01) USER MOD Single : A 12 MET CE :methyl 171:sc= 0 (180deg=-0.152) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.5!) USER MOD Single : A 32 GLN : amide:sc= 1.18 K(o=1.2,f=-0.078) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 41 GLN : amide:sc= 0.602 K(o=0.6,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 53 SER OG : rot -86:sc= 1.27 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.23!) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.13) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= -0.202 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 2.025 1.200 14.149 1.00 0.00 N ATOM 11 CA GLU A 2 1.466 1.066 12.816 1.00 0.00 C ATOM 12 C GLU A 2 0.805 -0.307 12.651 1.00 0.00 C ATOM 13 O GLU A 2 0.916 -1.176 13.521 1.00 0.00 O ATOM 14 CB GLU A 2 2.570 1.268 11.763 1.00 0.00 C ATOM 15 CG GLU A 2 3.866 0.499 12.057 1.00 0.00 C ATOM 16 CD GLU A 2 4.748 1.328 12.973 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.258 2.360 12.484 1.00 0.00 O ATOM 18 OE2 GLU A 2 4.746 0.996 14.179 1.00 0.00 O ATOM 0 HA GLU A 2 0.703 1.831 12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.190 0.958 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.799 2.331 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.636 -0.458 12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.392 0.281 11.127 1.00 0.00 H new ATOM 25 N VAL A 3 0.149 -0.484 11.503 1.00 0.00 N ATOM 26 CA VAL A 3 -0.258 -1.737 10.910 1.00 0.00 C ATOM 27 C VAL A 3 0.485 -1.844 9.573 1.00 0.00 C ATOM 28 O VAL A 3 0.480 -0.884 8.799 1.00 0.00 O ATOM 29 CB VAL A 3 -1.774 -1.723 10.656 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.258 -3.136 10.348 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.571 -1.169 11.838 1.00 0.00 C ATOM 0 H VAL A 3 -0.128 0.312 10.928 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.029 -2.578 11.564 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.944 -1.061 9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.333 -3.121 10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.747 -3.510 9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.040 -3.788 11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.634 -1.184 11.599 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.388 -1.783 12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.259 -0.144 12.039 1.00 0.00 H new ATOM 41 N VAL A 4 1.097 -3.001 9.300 1.00 0.00 N ATOM 42 CA VAL A 4 1.658 -3.361 8.003 1.00 0.00 C ATOM 43 C VAL A 4 0.615 -4.218 7.286 1.00 0.00 C ATOM 44 O VAL A 4 0.113 -5.180 7.867 1.00 0.00 O ATOM 45 CB VAL A 4 3.007 -4.098 8.193 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.091 -5.481 7.530 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.177 -3.295 7.630 1.00 0.00 C ATOM 0 H VAL A 4 1.217 -3.732 10.001 1.00 0.00 H new ATOM 0 HA VAL A 4 1.877 -2.481 7.398 1.00 0.00 H new ATOM 0 HB VAL A 4 3.065 -4.217 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.072 -5.916 7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.320 -6.131 7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.940 -5.379 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.104 -3.847 7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.025 -3.130 6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.238 -2.334 8.141 1.00 0.00 H new ATOM 57 N LEU A 5 0.301 -3.881 6.034 1.00 0.00 N ATOM 58 CA LEU A 5 -0.518 -4.696 5.145 1.00 0.00 C ATOM 59 C LEU A 5 0.363 -5.052 3.956 1.00 0.00 C ATOM 60 O LEU A 5 1.175 -4.225 3.531 1.00 0.00 O ATOM 61 CB LEU A 5 -1.739 -3.895 4.675 1.00 0.00 C ATOM 62 CG LEU A 5 -3.000 -4.080 5.535 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.720 -5.400 5.252 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.714 -3.933 7.024 1.00 0.00 C ATOM 0 H LEU A 5 0.618 -3.013 5.603 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.882 -5.591 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.478 -2.837 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.971 -4.181 3.649 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.672 -3.273 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.602 -5.477 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.023 -5.432 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.049 -6.233 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.637 -4.072 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.985 -4.683 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.315 -2.938 7.221 1.00 0.00 H new ATOM 76 N LYS A 6 0.207 -6.272 3.433 1.00 0.00 N ATOM 77 CA LYS A 6 0.964 -6.786 2.308 1.00 0.00 C ATOM 78 C LYS A 6 -0.074 -7.199 1.270 1.00 0.00 C ATOM 79 O LYS A 6 -0.917 -8.060 1.546 1.00 0.00 O ATOM 80 CB LYS A 6 1.818 -7.983 2.760 1.00 0.00 C ATOM 81 CG LYS A 6 3.240 -7.989 2.202 1.00 0.00 C ATOM 82 CD LYS A 6 4.197 -7.243 3.141 1.00 0.00 C ATOM 83 CE LYS A 6 5.651 -7.306 2.652 1.00 0.00 C ATOM 84 NZ LYS A 6 6.180 -8.680 2.564 1.00 0.00 N ATOM 0 H LYS A 6 -0.471 -6.941 3.797 1.00 0.00 H new ATOM 0 HA LYS A 6 1.652 -6.048 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.868 -7.988 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.319 -8.904 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.580 -9.016 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.251 -7.521 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.887 -6.201 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.132 -7.673 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.717 -6.835 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.279 -6.725 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.120 -8.719 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.538 -9.332 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.255 -8.960 1.565 1.00 0.00 H new ATOM 98 N MET A 7 -0.040 -6.558 0.103 1.00 0.00 N ATOM 99 CA MET A 7 -0.929 -6.832 -1.002 1.00 0.00 C ATOM 100 C MET A 7 -0.105 -7.180 -2.232 1.00 0.00 C ATOM 101 O MET A 7 0.854 -6.484 -2.555 1.00 0.00 O ATOM 102 CB MET A 7 -1.876 -5.649 -1.228 1.00 0.00 C ATOM 103 CG MET A 7 -1.219 -4.281 -1.134 1.00 0.00 C ATOM 104 SD MET A 7 -2.305 -2.867 -1.439 1.00 0.00 S ATOM 105 CE MET A 7 -3.062 -2.676 0.193 1.00 0.00 C ATOM 0 H MET A 7 0.629 -5.814 -0.096 1.00 0.00 H new ATOM 0 HA MET A 7 -1.561 -7.691 -0.778 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.333 -5.750 -2.212 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.681 -5.701 -0.495 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.785 -4.174 -0.140 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.396 -4.244 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.130 -2.881 0.125 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.602 -3.375 0.891 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.910 -1.657 0.548 1.00 0.00 H new ATOM 115 N LYS A 8 -0.463 -8.270 -2.910 1.00 0.00 N ATOM 116 CA LYS A 8 0.200 -8.648 -4.147 1.00 0.00 C ATOM 117 C LYS A 8 -0.453 -7.863 -5.256 1.00 0.00 C ATOM 118 O LYS A 8 -1.645 -8.038 -5.480 1.00 0.00 O ATOM 119 CB LYS A 8 0.058 -10.137 -4.442 1.00 0.00 C ATOM 120 CG LYS A 8 1.010 -10.966 -3.595 1.00 0.00 C ATOM 121 CD LYS A 8 0.444 -11.328 -2.215 1.00 0.00 C ATOM 122 CE LYS A 8 1.180 -12.547 -1.644 1.00 0.00 C ATOM 123 NZ LYS A 8 2.637 -12.322 -1.549 1.00 0.00 N ATOM 0 H LYS A 8 -1.208 -8.903 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 8 1.266 -8.436 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.968 -10.451 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.255 -10.320 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.255 -11.883 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.941 -10.415 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.548 -10.481 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.622 -11.542 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.784 -12.779 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.988 -13.414 -2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.071 -13.086 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.050 -12.312 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.818 -11.409 -1.084 1.00 0.00 H new ATOM 137 N VAL A 9 0.302 -6.993 -5.911 1.00 0.00 N ATOM 138 CA VAL A 9 -0.213 -6.119 -6.940 1.00 0.00 C ATOM 139 C VAL A 9 0.660 -6.308 -8.169 1.00 0.00 C ATOM 140 O VAL A 9 1.859 -6.544 -8.012 1.00 0.00 O ATOM 141 CB VAL A 9 -0.239 -4.680 -6.400 1.00 0.00 C ATOM 142 CG1 VAL A 9 1.163 -4.081 -6.241 1.00 0.00 C ATOM 143 CG2 VAL A 9 -1.073 -3.791 -7.313 1.00 0.00 C ATOM 0 H VAL A 9 1.300 -6.877 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.239 -6.351 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.689 -4.725 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.083 -3.064 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.741 -4.688 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.664 -4.064 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.084 -2.774 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.640 -3.789 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.093 -4.173 -7.360 1.00 0.00 H new ATOM 153 N GLU A 10 0.076 -6.237 -9.369 1.00 0.00 N ATOM 154 CA GLU A 10 0.870 -6.406 -10.577 1.00 0.00 C ATOM 155 C GLU A 10 2.011 -5.400 -10.637 1.00 0.00 C ATOM 156 O GLU A 10 1.878 -4.273 -10.156 1.00 0.00 O ATOM 157 CB GLU A 10 0.012 -6.323 -11.846 1.00 0.00 C ATOM 158 CG GLU A 10 -0.934 -7.522 -12.001 1.00 0.00 C ATOM 159 CD GLU A 10 -0.208 -8.858 -12.148 1.00 0.00 C ATOM 160 OE1 GLU A 10 1.039 -8.848 -12.294 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.909 -9.886 -12.064 1.00 0.00 O ATOM 0 H GLU A 10 -0.918 -6.068 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 10 1.298 -7.407 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.574 -5.404 -11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.664 -6.265 -12.717 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.592 -7.569 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.567 -7.364 -12.874 1.00 0.00 H new ATOM 168 N GLY A 11 3.122 -5.806 -11.258 1.00 0.00 N ATOM 169 CA GLY A 11 4.375 -5.062 -11.263 1.00 0.00 C ATOM 170 C GLY A 11 4.376 -3.874 -12.227 1.00 0.00 C ATOM 171 O GLY A 11 5.392 -3.592 -12.856 1.00 0.00 O ATOM 0 H GLY A 11 3.172 -6.680 -11.781 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.578 -4.702 -10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.188 -5.737 -11.530 1.00 0.00 H new ATOM 175 N MET A 12 3.254 -3.154 -12.292 1.00 0.00 N ATOM 176 CA MET A 12 3.085 -1.893 -12.984 1.00 0.00 C ATOM 177 C MET A 12 3.693 -1.890 -14.391 1.00 0.00 C ATOM 178 O MET A 12 3.566 -2.861 -15.136 1.00 0.00 O ATOM 179 CB MET A 12 3.578 -0.743 -12.092 1.00 0.00 C ATOM 180 CG MET A 12 3.133 -0.855 -10.628 1.00 0.00 C ATOM 181 SD MET A 12 4.210 -1.863 -9.574 1.00 0.00 S ATOM 182 CE MET A 12 3.300 -1.763 -8.023 1.00 0.00 C ATOM 0 H MET A 12 2.396 -3.461 -11.834 1.00 0.00 H new ATOM 0 HA MET A 12 2.021 -1.739 -13.163 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.667 -0.709 -12.129 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.216 0.201 -12.500 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.071 0.148 -10.205 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.127 -1.275 -10.601 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.733 -2.456 -7.302 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.360 -0.748 -7.631 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.256 -2.024 -8.196 1.00 0.00 H new ATOM 192 N THR A 13 4.317 -0.772 -14.763 1.00 0.00 N ATOM 193 CA THR A 13 5.050 -0.597 -16.002 1.00 0.00 C ATOM 194 C THR A 13 6.482 -0.139 -15.711 1.00 0.00 C ATOM 195 O THR A 13 7.415 -0.610 -16.360 1.00 0.00 O ATOM 196 CB THR A 13 4.277 0.383 -16.887 1.00 0.00 C ATOM 197 OG1 THR A 13 2.962 -0.111 -17.074 1.00 0.00 O ATOM 198 CG2 THR A 13 4.940 0.561 -18.252 1.00 0.00 C ATOM 0 H THR A 13 4.321 0.066 -14.181 1.00 0.00 H new ATOM 0 HA THR A 13 5.137 -1.541 -16.539 1.00 0.00 H new ATOM 0 HB THR A 13 4.265 1.353 -16.390 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.456 0.510 -17.639 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.360 1.264 -18.849 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.951 0.946 -18.118 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.983 -0.400 -18.764 1.00 0.00 H new ATOM 206 N CYS A 14 6.669 0.775 -14.754 1.00 0.00 N ATOM 207 CA CYS A 14 7.946 1.426 -14.520 1.00 0.00 C ATOM 208 C CYS A 14 7.935 2.072 -13.137 1.00 0.00 C ATOM 209 O CYS A 14 6.875 2.252 -12.534 1.00 0.00 O ATOM 210 CB CYS A 14 8.168 2.473 -15.620 1.00 0.00 C ATOM 211 SG CYS A 14 6.680 3.411 -16.075 1.00 0.00 S ATOM 0 H CYS A 14 5.930 1.080 -14.121 1.00 0.00 H new ATOM 0 HA CYS A 14 8.762 0.704 -14.551 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.936 3.172 -15.290 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.553 1.973 -16.509 1.00 0.00 H new ATOM 0 HG CYS A 14 5.724 3.142 -15.236 1.00 0.00 H new ATOM 216 N HIS A 15 9.120 2.449 -12.647 1.00 0.00 N ATOM 217 CA HIS A 15 9.293 3.050 -11.328 1.00 0.00 C ATOM 218 C HIS A 15 8.422 4.298 -11.129 1.00 0.00 C ATOM 219 O HIS A 15 8.076 4.647 -10.003 1.00 0.00 O ATOM 220 CB HIS A 15 10.771 3.363 -11.070 1.00 0.00 C ATOM 221 CG HIS A 15 11.265 4.607 -11.769 1.00 0.00 C ATOM 222 ND1 HIS A 15 11.285 4.827 -13.129 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.654 5.769 -11.157 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.688 6.095 -13.324 1.00 0.00 C ATOM 225 NE2 HIS A 15 11.929 6.706 -12.154 1.00 0.00 N ATOM 0 H HIS A 15 9.993 2.343 -13.163 1.00 0.00 H new ATOM 0 HA HIS A 15 8.956 2.317 -10.595 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.926 3.475 -9.997 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.374 2.514 -11.392 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.734 5.931 -10.092 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.802 6.559 -14.292 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.250 7.665 -12.020 1.00 0.00 H new ATOM 233 N SER A 16 8.067 4.985 -12.218 1.00 0.00 N ATOM 234 CA SER A 16 7.108 6.073 -12.172 1.00 0.00 C ATOM 235 C SER A 16 5.837 5.635 -11.443 1.00 0.00 C ATOM 236 O SER A 16 5.329 6.375 -10.607 1.00 0.00 O ATOM 237 CB SER A 16 6.801 6.542 -13.596 1.00 0.00 C ATOM 238 OG SER A 16 8.009 6.916 -14.230 1.00 0.00 O ATOM 0 H SER A 16 8.439 4.798 -13.149 1.00 0.00 H new ATOM 0 HA SER A 16 7.533 6.909 -11.616 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.313 5.745 -14.157 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.111 7.386 -13.574 1.00 0.00 H new ATOM 0 HG SER A 16 7.820 7.216 -15.144 1.00 0.00 H new ATOM 244 N CYS A 17 5.334 4.435 -11.740 1.00 0.00 N ATOM 245 CA CYS A 17 4.090 3.932 -11.185 1.00 0.00 C ATOM 246 C CYS A 17 4.240 3.705 -9.680 1.00 0.00 C ATOM 247 O CYS A 17 3.469 4.250 -8.886 1.00 0.00 O ATOM 248 CB CYS A 17 3.726 2.639 -11.920 1.00 0.00 C ATOM 249 SG CYS A 17 3.709 2.783 -13.730 1.00 0.00 S ATOM 0 H CYS A 17 5.789 3.784 -12.380 1.00 0.00 H new ATOM 0 HA CYS A 17 3.287 4.656 -11.321 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.436 1.862 -11.636 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.742 2.310 -11.585 1.00 0.00 H new ATOM 0 HG CYS A 17 3.191 1.708 -14.246 1.00 0.00 H new ATOM 254 N THR A 18 5.244 2.909 -9.294 1.00 0.00 N ATOM 255 CA THR A 18 5.528 2.607 -7.901 1.00 0.00 C ATOM 256 C THR A 18 5.684 3.912 -7.130 1.00 0.00 C ATOM 257 O THR A 18 4.983 4.135 -6.149 1.00 0.00 O ATOM 258 CB THR A 18 6.785 1.734 -7.761 1.00 0.00 C ATOM 259 OG1 THR A 18 7.898 2.364 -8.351 1.00 0.00 O ATOM 260 CG2 THR A 18 6.619 0.373 -8.435 1.00 0.00 C ATOM 0 H THR A 18 5.882 2.457 -9.950 1.00 0.00 H new ATOM 0 HA THR A 18 4.696 2.038 -7.486 1.00 0.00 H new ATOM 0 HB THR A 18 6.938 1.594 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.688 1.793 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.532 -0.209 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.784 -0.159 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.422 0.515 -9.498 1.00 0.00 H new ATOM 268 N SER A 19 6.575 4.784 -7.602 1.00 0.00 N ATOM 269 CA SER A 19 6.857 6.070 -6.986 1.00 0.00 C ATOM 270 C SER A 19 5.585 6.917 -6.880 1.00 0.00 C ATOM 271 O SER A 19 5.314 7.481 -5.822 1.00 0.00 O ATOM 272 CB SER A 19 7.947 6.781 -7.800 1.00 0.00 C ATOM 273 OG SER A 19 8.338 7.990 -7.181 1.00 0.00 O ATOM 0 H SER A 19 7.129 4.608 -8.440 1.00 0.00 H new ATOM 0 HA SER A 19 7.218 5.919 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.812 6.126 -7.905 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.579 6.986 -8.805 1.00 0.00 H new ATOM 0 HG SER A 19 9.034 8.422 -7.718 1.00 0.00 H new ATOM 279 N THR A 20 4.780 7.001 -7.947 1.00 0.00 N ATOM 280 CA THR A 20 3.524 7.742 -7.899 1.00 0.00 C ATOM 281 C THR A 20 2.638 7.195 -6.782 1.00 0.00 C ATOM 282 O THR A 20 2.134 7.972 -5.976 1.00 0.00 O ATOM 283 CB THR A 20 2.800 7.734 -9.255 1.00 0.00 C ATOM 284 OG1 THR A 20 3.592 8.400 -10.213 1.00 0.00 O ATOM 285 CG2 THR A 20 1.466 8.486 -9.195 1.00 0.00 C ATOM 0 H THR A 20 4.979 6.565 -8.848 1.00 0.00 H new ATOM 0 HA THR A 20 3.752 8.785 -7.679 1.00 0.00 H new ATOM 0 HB THR A 20 2.625 6.690 -9.516 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.320 7.811 -10.503 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.987 8.456 -10.174 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.815 8.015 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.645 9.523 -8.910 1.00 0.00 H new ATOM 293 N ILE A 21 2.445 5.875 -6.711 1.00 0.00 N ATOM 294 CA ILE A 21 1.709 5.252 -5.629 1.00 0.00 C ATOM 295 C ILE A 21 2.337 5.637 -4.287 1.00 0.00 C ATOM 296 O ILE A 21 1.624 6.055 -3.378 1.00 0.00 O ATOM 297 CB ILE A 21 1.650 3.739 -5.915 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.412 3.429 -6.751 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.596 2.921 -4.644 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.479 2.088 -7.483 1.00 0.00 C ATOM 0 H ILE A 21 2.798 5.217 -7.406 1.00 0.00 H new ATOM 0 HA ILE A 21 0.679 5.604 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 21 2.560 3.472 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.464 3.434 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.271 4.225 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.555 1.861 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.486 3.119 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.708 3.193 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.437 1.940 -8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.334 2.085 -8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.588 1.282 -6.757 1.00 0.00 H new ATOM 312 N GLU A 22 3.658 5.516 -4.164 1.00 0.00 N ATOM 313 CA GLU A 22 4.384 5.795 -2.938 1.00 0.00 C ATOM 314 C GLU A 22 4.099 7.221 -2.450 1.00 0.00 C ATOM 315 O GLU A 22 3.679 7.421 -1.310 1.00 0.00 O ATOM 316 CB GLU A 22 5.871 5.396 -3.098 1.00 0.00 C ATOM 317 CG GLU A 22 6.119 4.137 -2.248 1.00 0.00 C ATOM 318 CD GLU A 22 7.460 3.437 -2.433 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.374 4.075 -2.995 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.538 2.264 -1.988 1.00 0.00 O ATOM 0 H GLU A 22 4.259 5.215 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 22 4.026 5.171 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.103 5.201 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.521 6.209 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.021 4.411 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.328 3.419 -2.465 1.00 0.00 H new ATOM 327 N GLY A 23 4.236 8.208 -3.335 1.00 0.00 N ATOM 328 CA GLY A 23 3.870 9.588 -3.065 1.00 0.00 C ATOM 329 C GLY A 23 2.389 9.730 -2.698 1.00 0.00 C ATOM 330 O GLY A 23 2.054 10.294 -1.658 1.00 0.00 O ATOM 0 H GLY A 23 4.611 8.063 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.483 9.973 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.086 10.198 -3.942 1.00 0.00 H new ATOM 334 N LYS A 24 1.494 9.238 -3.561 1.00 0.00 N ATOM 335 CA LYS A 24 0.048 9.372 -3.411 1.00 0.00 C ATOM 336 C LYS A 24 -0.390 8.863 -2.041 1.00 0.00 C ATOM 337 O LYS A 24 -1.106 9.544 -1.310 1.00 0.00 O ATOM 338 CB LYS A 24 -0.666 8.596 -4.532 1.00 0.00 C ATOM 339 CG LYS A 24 -2.125 9.024 -4.767 1.00 0.00 C ATOM 340 CD LYS A 24 -2.226 10.057 -5.903 1.00 0.00 C ATOM 341 CE LYS A 24 -3.683 10.317 -6.322 1.00 0.00 C ATOM 342 NZ LYS A 24 -4.248 9.225 -7.148 1.00 0.00 N ATOM 0 H LYS A 24 1.764 8.725 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.223 10.425 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.108 8.724 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.645 7.533 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.728 8.150 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.535 9.447 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.769 10.993 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.659 9.704 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.295 10.445 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.734 11.252 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.129 9.549 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.564 8.957 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.448 8.402 -6.545 1.00 0.00 H new ATOM 356 N ILE A 25 0.053 7.653 -1.710 1.00 0.00 N ATOM 357 CA ILE A 25 -0.220 7.019 -0.436 1.00 0.00 C ATOM 358 C ILE A 25 0.409 7.835 0.692 1.00 0.00 C ATOM 359 O ILE A 25 -0.276 8.177 1.653 1.00 0.00 O ATOM 360 CB ILE A 25 0.202 5.544 -0.443 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.555 4.697 -1.475 1.00 0.00 C ATOM 362 CG2 ILE A 25 0.083 4.955 0.967 1.00 0.00 C ATOM 363 CD1 ILE A 25 -1.966 4.373 -1.011 1.00 0.00 C ATOM 0 H ILE A 25 0.621 7.081 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.295 7.006 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 25 1.246 5.513 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.598 5.232 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.010 3.771 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.385 3.908 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.729 5.508 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.950 5.029 1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.469 3.772 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.922 3.815 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.520 5.299 -0.856 1.00 0.00 H new ATOM 375 N GLY A 26 1.688 8.202 0.563 1.00 0.00 N ATOM 376 CA GLY A 26 2.347 9.109 1.493 1.00 0.00 C ATOM 377 C GLY A 26 1.505 10.356 1.785 1.00 0.00 C ATOM 378 O GLY A 26 1.497 10.851 2.909 1.00 0.00 O ATOM 0 H GLY A 26 2.291 7.875 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.550 8.584 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.310 9.412 1.081 1.00 0.00 H new ATOM 382 N LYS A 27 0.786 10.862 0.779 1.00 0.00 N ATOM 383 CA LYS A 27 -0.034 12.056 0.909 1.00 0.00 C ATOM 384 C LYS A 27 -1.269 11.858 1.807 1.00 0.00 C ATOM 385 O LYS A 27 -1.910 12.847 2.164 1.00 0.00 O ATOM 386 CB LYS A 27 -0.441 12.574 -0.474 1.00 0.00 C ATOM 387 CG LYS A 27 -0.535 14.109 -0.507 1.00 0.00 C ATOM 388 CD LYS A 27 -1.597 14.610 -1.496 1.00 0.00 C ATOM 389 CE LYS A 27 -2.968 14.674 -0.804 1.00 0.00 C ATOM 390 NZ LYS A 27 -4.020 15.220 -1.686 1.00 0.00 N ATOM 0 H LYS A 27 0.761 10.447 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 27 0.582 12.803 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.285 12.239 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.403 12.145 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.770 14.477 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.435 14.524 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.322 15.596 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.646 13.945 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.254 13.674 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.892 15.292 0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.925 15.243 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.763 16.185 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.114 14.617 -2.528 1.00 0.00 H new ATOM 404 N LEU A 28 -1.668 10.620 2.122 1.00 0.00 N ATOM 405 CA LEU A 28 -2.874 10.367 2.889 1.00 0.00 C ATOM 406 C LEU A 28 -2.658 10.614 4.380 1.00 0.00 C ATOM 407 O LEU A 28 -1.607 10.311 4.945 1.00 0.00 O ATOM 408 CB LEU A 28 -3.338 8.938 2.708 1.00 0.00 C ATOM 409 CG LEU A 28 -3.622 8.518 1.260 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.625 7.374 1.350 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.201 9.608 0.345 1.00 0.00 C ATOM 0 H LEU A 28 -1.162 9.777 1.851 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.630 11.058 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.579 8.272 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.244 8.791 3.296 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.668 8.257 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.871 7.026 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.191 6.554 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.531 7.723 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.361 9.199 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.151 9.957 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.503 10.443 0.287 1.00 0.00 H new ATOM 423 N GLN A 29 -3.700 11.116 5.040 1.00 0.00 N ATOM 424 CA GLN A 29 -3.649 11.539 6.429 1.00 0.00 C ATOM 425 C GLN A 29 -3.732 10.376 7.422 1.00 0.00 C ATOM 426 O GLN A 29 -4.687 10.255 8.184 1.00 0.00 O ATOM 427 CB GLN A 29 -4.718 12.604 6.653 1.00 0.00 C ATOM 428 CG GLN A 29 -6.145 12.057 6.447 1.00 0.00 C ATOM 429 CD GLN A 29 -7.096 13.014 5.728 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.680 13.927 5.023 1.00 0.00 O ATOM 431 NE2 GLN A 29 -8.399 12.793 5.874 1.00 0.00 N ATOM 0 H GLN A 29 -4.618 11.240 4.612 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.670 11.976 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.626 13.000 7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.548 13.435 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.086 11.129 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.568 11.808 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.723 12.028 6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.074 13.389 5.395 1.00 0.00 H new ATOM 440 N GLY A 30 -2.717 9.519 7.408 1.00 0.00 N ATOM 441 CA GLY A 30 -2.760 8.261 8.157 1.00 0.00 C ATOM 442 C GLY A 30 -1.643 7.263 7.884 1.00 0.00 C ATOM 443 O GLY A 30 -1.778 6.108 8.285 1.00 0.00 O ATOM 0 H GLY A 30 -1.853 9.669 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.752 8.498 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.711 7.772 7.947 1.00 0.00 H new ATOM 447 N VAL A 31 -0.556 7.660 7.217 1.00 0.00 N ATOM 448 CA VAL A 31 0.454 6.728 6.743 1.00 0.00 C ATOM 449 C VAL A 31 1.753 6.906 7.527 1.00 0.00 C ATOM 450 O VAL A 31 2.103 8.019 7.912 1.00 0.00 O ATOM 451 CB VAL A 31 0.609 6.897 5.223 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.758 6.055 4.660 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.702 6.465 4.552 1.00 0.00 C ATOM 0 H VAL A 31 -0.357 8.635 6.994 1.00 0.00 H new ATOM 0 HA VAL A 31 0.149 5.697 6.921 1.00 0.00 H new ATOM 0 HB VAL A 31 0.837 7.943 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.828 6.208 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.694 6.356 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.571 5.001 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.612 6.578 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.907 5.422 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.519 7.088 4.915 1.00 0.00 H new ATOM 463 N GLN A 32 2.442 5.789 7.781 1.00 0.00 N ATOM 464 CA GLN A 32 3.692 5.717 8.525 1.00 0.00 C ATOM 465 C GLN A 32 4.847 5.411 7.570 1.00 0.00 C ATOM 466 O GLN A 32 5.915 6.011 7.664 1.00 0.00 O ATOM 467 CB GLN A 32 3.573 4.619 9.590 1.00 0.00 C ATOM 468 CG GLN A 32 2.661 5.030 10.747 1.00 0.00 C ATOM 469 CD GLN A 32 3.426 5.644 11.917 1.00 0.00 C ATOM 470 OE1 GLN A 32 3.174 6.792 12.272 1.00 0.00 O ATOM 471 NE2 GLN A 32 4.344 4.912 12.549 1.00 0.00 N ATOM 0 H GLN A 32 2.126 4.875 7.458 1.00 0.00 H new ATOM 0 HA GLN A 32 3.891 6.672 9.011 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.186 3.710 9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.564 4.383 9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.924 5.747 10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.111 4.157 11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.539 3.960 12.239 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.851 5.304 13.342 1.00 0.00 H new ATOM 480 N ARG A 33 4.649 4.449 6.666 1.00 0.00 N ATOM 481 CA ARG A 33 5.660 3.965 5.745 1.00 0.00 C ATOM 482 C ARG A 33 4.948 3.207 4.642 1.00 0.00 C ATOM 483 O ARG A 33 3.740 2.981 4.680 1.00 0.00 O ATOM 484 CB ARG A 33 6.697 3.096 6.483 1.00 0.00 C ATOM 485 CG ARG A 33 8.122 3.556 6.157 1.00 0.00 C ATOM 486 CD ARG A 33 9.143 2.812 7.025 1.00 0.00 C ATOM 487 NE ARG A 33 10.423 3.538 7.053 1.00 0.00 N ATOM 488 CZ ARG A 33 11.384 3.362 7.974 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.306 2.335 8.829 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.413 4.215 8.038 1.00 0.00 N ATOM 0 H ARG A 33 3.752 3.976 6.558 1.00 0.00 H new ATOM 0 HA ARG A 33 6.219 4.792 5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.528 3.154 7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.573 2.052 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.335 3.378 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.210 4.630 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.757 2.704 8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.297 1.806 6.634 1.00 0.00 H new ATOM 0 HE ARG A 33 10.592 4.225 6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.518 1.689 8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.034 2.198 9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.467 4.999 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.143 4.082 8.738 1.00 0.00 H new ATOM 504 N ILE A 34 5.695 2.850 3.617 1.00 0.00 N ATOM 505 CA ILE A 34 5.182 2.205 2.457 1.00 0.00 C ATOM 506 C ILE A 34 6.386 1.537 1.815 1.00 0.00 C ATOM 507 O ILE A 34 7.504 2.040 1.945 1.00 0.00 O ATOM 508 CB ILE A 34 4.462 3.256 1.609 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.088 2.614 0.280 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.251 4.566 1.429 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.919 3.339 -0.373 1.00 0.00 C ATOM 0 H ILE A 34 6.702 3.011 3.581 1.00 0.00 H new ATOM 0 HA ILE A 34 4.431 1.435 2.635 1.00 0.00 H new ATOM 0 HB ILE A 34 3.563 3.570 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.948 2.630 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.827 1.568 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.673 5.258 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.439 5.015 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.201 4.354 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.675 2.857 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.052 3.301 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.191 4.379 -0.554 1.00 0.00 H new ATOM 523 N LYS A 35 6.167 0.366 1.227 1.00 0.00 N ATOM 524 CA LYS A 35 7.203 -0.415 0.581 1.00 0.00 C ATOM 525 C LYS A 35 6.665 -1.084 -0.695 1.00 0.00 C ATOM 526 O LYS A 35 6.228 -2.234 -0.662 1.00 0.00 O ATOM 527 CB LYS A 35 7.881 -1.351 1.603 1.00 0.00 C ATOM 528 CG LYS A 35 9.135 -0.804 2.291 1.00 0.00 C ATOM 529 CD LYS A 35 10.268 -0.637 1.282 1.00 0.00 C ATOM 530 CE LYS A 35 11.607 -0.401 1.991 1.00 0.00 C ATOM 531 NZ LYS A 35 12.734 -0.414 1.037 1.00 0.00 N ATOM 0 H LYS A 35 5.246 -0.071 1.188 1.00 0.00 H new ATOM 0 HA LYS A 35 8.005 0.230 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.151 -1.605 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.145 -2.279 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.912 0.155 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.445 -1.481 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.336 -1.527 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.050 0.202 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.581 0.556 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.760 -1.171 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.624 -0.251 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.773 -1.337 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.599 0.337 0.330 1.00 0.00 H new ATOM 545 N VAL A 36 6.673 -0.357 -1.820 1.00 0.00 N ATOM 546 CA VAL A 36 6.072 -0.804 -3.076 1.00 0.00 C ATOM 547 C VAL A 36 7.129 -1.438 -3.990 1.00 0.00 C ATOM 548 O VAL A 36 7.927 -0.722 -4.592 1.00 0.00 O ATOM 549 CB VAL A 36 5.326 0.375 -3.728 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.714 -0.008 -5.078 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.173 0.800 -2.810 1.00 0.00 C ATOM 0 H VAL A 36 7.102 0.566 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 36 5.339 -1.588 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 36 6.049 1.176 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.198 0.854 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.504 -0.328 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.004 -0.823 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.637 1.635 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.490 -0.038 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.572 1.106 -1.843 1.00 0.00 H new ATOM 561 N SER A 37 7.124 -2.773 -4.121 1.00 0.00 N ATOM 562 CA SER A 37 8.083 -3.513 -4.935 1.00 0.00 C ATOM 563 C SER A 37 7.418 -4.072 -6.195 1.00 0.00 C ATOM 564 O SER A 37 6.344 -4.672 -6.112 1.00 0.00 O ATOM 565 CB SER A 37 8.675 -4.658 -4.125 1.00 0.00 C ATOM 566 OG SER A 37 9.263 -4.186 -2.928 1.00 0.00 O ATOM 0 H SER A 37 6.442 -3.372 -3.656 1.00 0.00 H new ATOM 0 HA SER A 37 8.874 -2.826 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.895 -5.382 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.424 -5.179 -4.721 1.00 0.00 H new ATOM 0 HG SER A 37 9.634 -4.941 -2.426 1.00 0.00 H new ATOM 572 N LEU A 38 8.081 -3.928 -7.348 1.00 0.00 N ATOM 573 CA LEU A 38 7.587 -4.452 -8.618 1.00 0.00 C ATOM 574 C LEU A 38 8.175 -5.840 -8.868 1.00 0.00 C ATOM 575 O LEU A 38 7.435 -6.777 -9.154 1.00 0.00 O ATOM 576 CB LEU A 38 7.789 -3.420 -9.749 1.00 0.00 C ATOM 577 CG LEU A 38 8.963 -3.608 -10.724 1.00 0.00 C ATOM 578 CD1 LEU A 38 8.621 -4.607 -11.840 1.00 0.00 C ATOM 579 CD2 LEU A 38 9.291 -2.262 -11.380 1.00 0.00 C ATOM 0 H LEU A 38 8.976 -3.444 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 38 6.508 -4.602 -8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.872 -3.393 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.899 -2.440 -9.285 1.00 0.00 H new ATOM 0 HG LEU A 38 9.809 -3.992 -10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.476 -4.713 -12.508 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.382 -5.576 -11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.762 -4.243 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.123 -2.388 -12.073 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.418 -1.900 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.565 -1.540 -10.611 1.00 0.00 H new ATOM 591 N ASP A 39 9.493 -5.994 -8.701 1.00 0.00 N ATOM 592 CA ASP A 39 10.243 -7.223 -8.942 1.00 0.00 C ATOM 593 C ASP A 39 9.592 -8.388 -8.214 1.00 0.00 C ATOM 594 O ASP A 39 9.267 -9.419 -8.795 1.00 0.00 O ATOM 595 CB ASP A 39 11.682 -7.077 -8.416 1.00 0.00 C ATOM 596 CG ASP A 39 12.342 -5.765 -8.818 1.00 0.00 C ATOM 597 OD1 ASP A 39 11.785 -4.721 -8.401 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.368 -5.827 -9.524 1.00 0.00 O ATOM 0 H ASP A 39 10.088 -5.230 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 39 10.251 -7.409 -10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.673 -7.153 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.283 -7.907 -8.788 1.00 0.00 H new ATOM 603 N ASN A 40 9.414 -8.192 -6.906 1.00 0.00 N ATOM 604 CA ASN A 40 8.837 -9.192 -6.025 1.00 0.00 C ATOM 605 C ASN A 40 7.304 -9.238 -6.134 1.00 0.00 C ATOM 606 O ASN A 40 6.669 -10.028 -5.443 1.00 0.00 O ATOM 607 CB ASN A 40 9.314 -8.995 -4.584 1.00 0.00 C ATOM 608 CG ASN A 40 10.205 -10.132 -4.084 1.00 0.00 C ATOM 609 OD1 ASN A 40 9.814 -11.293 -4.090 1.00 0.00 O ATOM 610 ND2 ASN A 40 11.416 -9.814 -3.630 1.00 0.00 N ATOM 0 H ASN A 40 9.670 -7.326 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 40 9.194 -10.168 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.862 -8.055 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.447 -8.907 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.037 -10.543 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.723 -8.841 -3.634 1.00 0.00 H new ATOM 617 N GLN A 41 6.716 -8.374 -6.975 1.00 0.00 N ATOM 618 CA GLN A 41 5.288 -8.250 -7.227 1.00 0.00 C ATOM 619 C GLN A 41 4.512 -8.167 -5.910 1.00 0.00 C ATOM 620 O GLN A 41 3.650 -8.990 -5.607 1.00 0.00 O ATOM 621 CB GLN A 41 4.856 -9.366 -8.199 1.00 0.00 C ATOM 622 CG GLN A 41 3.692 -8.996 -9.140 1.00 0.00 C ATOM 623 CD GLN A 41 2.382 -9.741 -8.861 1.00 0.00 C ATOM 624 OE1 GLN A 41 2.121 -10.196 -7.751 1.00 0.00 O ATOM 625 NE2 GLN A 41 1.537 -9.911 -9.874 1.00 0.00 N ATOM 0 H GLN A 41 7.262 -7.710 -7.524 1.00 0.00 H new ATOM 0 HA GLN A 41 5.047 -7.312 -7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.716 -9.653 -8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.569 -10.242 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.508 -7.924 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.996 -9.195 -10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.760 -9.530 -10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.666 -10.422 -9.731 1.00 0.00 H new ATOM 634 N GLU A 42 4.854 -7.162 -5.097 1.00 0.00 N ATOM 635 CA GLU A 42 4.261 -6.998 -3.777 1.00 0.00 C ATOM 636 C GLU A 42 4.353 -5.547 -3.311 1.00 0.00 C ATOM 637 O GLU A 42 5.417 -4.929 -3.346 1.00 0.00 O ATOM 638 CB GLU A 42 4.876 -7.983 -2.769 1.00 0.00 C ATOM 639 CG GLU A 42 4.128 -7.951 -1.427 1.00 0.00 C ATOM 640 CD GLU A 42 4.384 -9.189 -0.582 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.398 -9.207 0.150 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.517 -10.089 -0.604 1.00 0.00 O ATOM 0 H GLU A 42 5.543 -6.449 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 42 3.200 -7.239 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.847 -8.992 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.925 -7.734 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.431 -7.066 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.058 -7.859 -1.614 1.00 0.00 H new ATOM 649 N ALA A 43 3.218 -5.022 -2.852 1.00 0.00 N ATOM 650 CA ALA A 43 3.082 -3.704 -2.274 1.00 0.00 C ATOM 651 C ALA A 43 2.808 -3.843 -0.779 1.00 0.00 C ATOM 652 O ALA A 43 1.784 -4.385 -0.361 1.00 0.00 O ATOM 653 CB ALA A 43 2.001 -2.916 -3.015 1.00 0.00 C ATOM 0 H ALA A 43 2.336 -5.533 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 43 4.006 -3.136 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.906 -1.924 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.276 -2.820 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.049 -3.441 -2.936 1.00 0.00 H new ATOM 659 N THR A 44 3.752 -3.356 0.023 1.00 0.00 N ATOM 660 CA THR A 44 3.620 -3.180 1.457 1.00 0.00 C ATOM 661 C THR A 44 3.071 -1.785 1.692 1.00 0.00 C ATOM 662 O THR A 44 3.611 -0.837 1.122 1.00 0.00 O ATOM 663 CB THR A 44 5.018 -3.235 2.070 1.00 0.00 C ATOM 664 OG1 THR A 44 5.653 -4.438 1.698 1.00 0.00 O ATOM 665 CG2 THR A 44 4.977 -3.119 3.599 1.00 0.00 C ATOM 0 H THR A 44 4.664 -3.063 -0.328 1.00 0.00 H new ATOM 0 HA THR A 44 2.974 -3.944 1.890 1.00 0.00 H new ATOM 0 HB THR A 44 5.582 -2.384 1.689 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.550 -4.470 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.992 -3.163 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.519 -2.171 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.392 -3.941 4.011 1.00 0.00 H new ATOM 673 N ILE A 45 2.068 -1.634 2.556 1.00 0.00 N ATOM 674 CA ILE A 45 1.614 -0.317 2.972 1.00 0.00 C ATOM 675 C ILE A 45 1.615 -0.321 4.497 1.00 0.00 C ATOM 676 O ILE A 45 1.119 -1.278 5.095 1.00 0.00 O ATOM 677 CB ILE A 45 0.229 -0.009 2.381 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.101 -0.332 0.875 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.110 1.464 2.659 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.804 0.660 -0.046 1.00 0.00 C ATOM 0 H ILE A 45 1.558 -2.409 2.979 1.00 0.00 H new ATOM 0 HA ILE A 45 2.270 0.472 2.605 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.488 -0.668 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.507 -1.327 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.956 -0.366 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.091 1.696 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.120 1.638 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.640 2.104 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.663 0.357 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.383 1.655 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.869 0.679 0.185 1.00 0.00 H new ATOM 692 N VAL A 46 2.230 0.698 5.111 1.00 0.00 N ATOM 693 CA VAL A 46 2.401 0.779 6.559 1.00 0.00 C ATOM 694 C VAL A 46 1.665 2.012 7.080 1.00 0.00 C ATOM 695 O VAL A 46 2.104 3.142 6.860 1.00 0.00 O ATOM 696 CB VAL A 46 3.892 0.794 6.936 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.057 0.478 8.422 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.704 -0.175 6.068 1.00 0.00 C ATOM 0 H VAL A 46 2.624 1.493 4.609 1.00 0.00 H new ATOM 0 HA VAL A 46 1.971 -0.105 7.030 1.00 0.00 H new ATOM 0 HB VAL A 46 4.283 1.794 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.116 0.490 8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.530 1.226 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.644 -0.508 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.753 -0.137 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.326 -1.188 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.612 0.111 5.020 1.00 0.00 H new ATOM 708 N TYR A 47 0.531 1.812 7.749 1.00 0.00 N ATOM 709 CA TYR A 47 -0.356 2.908 8.114 1.00 0.00 C ATOM 710 C TYR A 47 -0.675 2.897 9.598 1.00 0.00 C ATOM 711 O TYR A 47 -0.429 1.907 10.277 1.00 0.00 O ATOM 712 CB TYR A 47 -1.623 2.855 7.262 1.00 0.00 C ATOM 713 CG TYR A 47 -2.530 1.679 7.561 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.353 0.471 6.870 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.588 1.808 8.479 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.303 -0.551 7.004 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.503 0.758 8.660 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.374 -0.414 7.900 1.00 0.00 C ATOM 719 OH TYR A 47 -5.291 -1.416 8.017 1.00 0.00 O ATOM 0 H TYR A 47 0.206 0.893 8.050 1.00 0.00 H new ATOM 0 HA TYR A 47 0.154 3.850 7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.184 3.778 7.410 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.338 2.820 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.489 0.329 6.238 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.697 2.720 9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.210 -1.450 6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.302 0.852 9.381 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.967 -1.165 8.680 1.00 0.00 H new ATOM 729 N GLN A 48 -1.218 4.005 10.100 1.00 0.00 N ATOM 730 CA GLN A 48 -1.601 4.128 11.492 1.00 0.00 C ATOM 731 C GLN A 48 -3.075 3.729 11.634 1.00 0.00 C ATOM 732 O GLN A 48 -3.930 4.312 10.961 1.00 0.00 O ATOM 733 CB GLN A 48 -1.337 5.559 11.981 1.00 0.00 C ATOM 734 CG GLN A 48 -0.339 5.573 13.147 1.00 0.00 C ATOM 735 CD GLN A 48 -0.568 6.750 14.085 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.223 6.608 15.112 1.00 0.00 O ATOM 737 NE2 GLN A 48 -0.030 7.919 13.757 1.00 0.00 N ATOM 0 H GLN A 48 -1.402 4.841 9.545 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.005 3.462 12.116 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.949 6.161 11.159 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.275 6.017 12.296 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.424 4.642 13.707 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.677 5.616 12.753 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.510 8.008 12.896 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.157 8.728 14.366 1.00 0.00 H new ATOM 746 N PRO A 49 -3.398 2.738 12.482 1.00 0.00 N ATOM 747 CA PRO A 49 -4.768 2.297 12.648 1.00 0.00 C ATOM 748 C PRO A 49 -5.587 3.451 13.216 1.00 0.00 C ATOM 749 O PRO A 49 -5.062 4.249 13.987 1.00 0.00 O ATOM 750 CB PRO A 49 -4.719 1.105 13.606 1.00 0.00 C ATOM 751 CG PRO A 49 -3.424 1.307 14.396 1.00 0.00 C ATOM 752 CD PRO A 49 -2.526 2.140 13.480 1.00 0.00 C ATOM 0 HA PRO A 49 -5.235 1.998 11.710 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.588 1.088 14.264 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.711 0.159 13.064 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.613 1.822 15.338 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.959 0.352 14.642 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.000 2.908 14.046 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.767 1.516 13.008 1.00 0.00 H new ATOM 760 N HIS A 50 -6.857 3.542 12.809 1.00 0.00 N ATOM 761 CA HIS A 50 -7.809 4.572 13.213 1.00 0.00 C ATOM 762 C HIS A 50 -7.724 5.812 12.313 1.00 0.00 C ATOM 763 O HIS A 50 -8.706 6.545 12.228 1.00 0.00 O ATOM 764 CB HIS A 50 -7.692 4.901 14.718 1.00 0.00 C ATOM 765 CG HIS A 50 -8.894 5.510 15.402 1.00 0.00 C ATOM 766 ND1 HIS A 50 -8.893 5.976 16.700 1.00 0.00 N ATOM 767 CD2 HIS A 50 -10.185 5.579 14.945 1.00 0.00 C ATOM 768 CE1 HIS A 50 -10.152 6.325 17.011 1.00 0.00 C ATOM 769 NE2 HIS A 50 -10.976 6.099 15.976 1.00 0.00 N ATOM 0 H HIS A 50 -7.264 2.868 12.160 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.812 4.168 13.071 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.439 3.980 15.243 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.852 5.583 14.847 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.530 5.285 13.965 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.459 6.732 17.963 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.981 6.272 15.947 1.00 0.00 H new ATOM 777 N LEU A 51 -6.595 6.062 11.628 1.00 0.00 N ATOM 778 CA LEU A 51 -6.456 7.235 10.781 1.00 0.00 C ATOM 779 C LEU A 51 -6.950 6.945 9.358 1.00 0.00 C ATOM 780 O LEU A 51 -7.692 7.747 8.800 1.00 0.00 O ATOM 781 CB LEU A 51 -5.015 7.736 10.805 1.00 0.00 C ATOM 782 CG LEU A 51 -4.581 8.410 12.124 1.00 0.00 C ATOM 783 CD1 LEU A 51 -4.639 7.485 13.344 1.00 0.00 C ATOM 784 CD2 LEU A 51 -3.161 8.969 11.967 1.00 0.00 C ATOM 0 H LEU A 51 -5.771 5.461 11.651 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.086 8.033 11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.350 6.895 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.880 8.447 9.990 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.298 9.209 12.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.319 8.032 14.231 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.660 7.131 13.484 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.979 6.632 13.186 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.853 9.445 12.898 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.474 8.156 11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.146 9.703 11.161 1.00 0.00 H new ATOM 796 N ILE A 52 -6.533 5.818 8.765 1.00 0.00 N ATOM 797 CA ILE A 52 -6.799 5.437 7.386 1.00 0.00 C ATOM 798 C ILE A 52 -7.150 3.945 7.354 1.00 0.00 C ATOM 799 O ILE A 52 -6.793 3.220 8.285 1.00 0.00 O ATOM 800 CB ILE A 52 -5.533 5.774 6.573 1.00 0.00 C ATOM 801 CG1 ILE A 52 -5.855 6.472 5.265 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.585 4.608 6.308 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.168 7.958 5.463 1.00 0.00 C ATOM 0 H ILE A 52 -5.977 5.122 9.262 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.642 5.973 6.951 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.997 6.454 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.011 6.368 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.708 5.983 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.730 4.958 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.238 4.199 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.109 3.833 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.392 8.414 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.029 8.064 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.306 8.455 5.908 1.00 0.00 H new ATOM 815 N SER A 53 -7.848 3.484 6.311 1.00 0.00 N ATOM 816 CA SER A 53 -8.339 2.114 6.203 1.00 0.00 C ATOM 817 C SER A 53 -7.653 1.374 5.056 1.00 0.00 C ATOM 818 O SER A 53 -6.997 1.984 4.214 1.00 0.00 O ATOM 819 CB SER A 53 -9.857 2.139 5.980 1.00 0.00 C ATOM 820 OG SER A 53 -10.156 2.607 4.680 1.00 0.00 O ATOM 0 H SER A 53 -8.089 4.064 5.508 1.00 0.00 H new ATOM 0 HA SER A 53 -8.110 1.585 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.268 1.139 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.330 2.782 6.723 1.00 0.00 H new ATOM 0 HG SER A 53 -10.194 3.586 4.686 1.00 0.00 H new ATOM 826 N VAL A 54 -7.864 0.054 4.987 1.00 0.00 N ATOM 827 CA VAL A 54 -7.456 -0.768 3.853 1.00 0.00 C ATOM 828 C VAL A 54 -7.983 -0.202 2.532 1.00 0.00 C ATOM 829 O VAL A 54 -7.276 -0.241 1.523 1.00 0.00 O ATOM 830 CB VAL A 54 -7.902 -2.231 4.067 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.884 -3.054 2.769 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.992 -2.942 5.076 1.00 0.00 C ATOM 0 H VAL A 54 -8.328 -0.474 5.727 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.368 -0.751 3.790 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.925 -2.172 4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.207 -4.074 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.560 -2.603 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.873 -3.070 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.329 -3.970 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.967 -2.940 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.033 -2.421 6.033 1.00 0.00 H new ATOM 842 N GLU A 55 -9.233 0.270 2.521 1.00 0.00 N ATOM 843 CA GLU A 55 -9.896 0.650 1.286 1.00 0.00 C ATOM 844 C GLU A 55 -9.150 1.836 0.677 1.00 0.00 C ATOM 845 O GLU A 55 -8.678 1.720 -0.437 1.00 0.00 O ATOM 846 CB GLU A 55 -11.393 0.858 1.526 1.00 0.00 C ATOM 847 CG GLU A 55 -12.325 0.318 0.427 1.00 0.00 C ATOM 848 CD GLU A 55 -12.579 1.237 -0.762 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.246 2.435 -0.680 1.00 0.00 O ATOM 850 OE2 GLU A 55 -13.145 0.726 -1.759 1.00 0.00 O ATOM 0 H GLU A 55 -9.801 0.395 3.359 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.855 -0.145 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.661 0.383 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.579 1.926 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.906 -0.616 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.285 0.076 0.883 1.00 0.00 H new ATOM 857 N GLU A 56 -8.930 2.916 1.425 1.00 0.00 N ATOM 858 CA GLU A 56 -8.070 4.035 1.080 1.00 0.00 C ATOM 859 C GLU A 56 -6.813 3.569 0.340 1.00 0.00 C ATOM 860 O GLU A 56 -6.621 3.943 -0.817 1.00 0.00 O ATOM 861 CB GLU A 56 -7.776 4.807 2.376 1.00 0.00 C ATOM 862 CG GLU A 56 -8.856 5.859 2.618 1.00 0.00 C ATOM 863 CD GLU A 56 -9.144 6.113 4.087 1.00 0.00 C ATOM 864 OE1 GLU A 56 -9.323 5.104 4.803 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.156 7.298 4.475 1.00 0.00 O ATOM 0 H GLU A 56 -9.373 3.035 2.336 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.564 4.707 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.735 4.116 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.799 5.286 2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.550 6.795 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.776 5.542 2.126 1.00 0.00 H new ATOM 872 N MET A 57 -5.986 2.725 0.969 1.00 0.00 N ATOM 873 CA MET A 57 -4.866 2.108 0.284 1.00 0.00 C ATOM 874 C MET A 57 -5.277 1.487 -1.062 1.00 0.00 C ATOM 875 O MET A 57 -4.806 1.908 -2.116 1.00 0.00 O ATOM 876 CB MET A 57 -4.213 1.061 1.176 1.00 0.00 C ATOM 877 CG MET A 57 -4.128 1.386 2.668 1.00 0.00 C ATOM 878 SD MET A 57 -2.987 0.327 3.570 1.00 0.00 S ATOM 879 CE MET A 57 -3.769 -1.286 3.384 1.00 0.00 C ATOM 0 H MET A 57 -6.079 2.460 1.950 1.00 0.00 H new ATOM 0 HA MET A 57 -4.144 2.896 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.762 0.127 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.202 0.883 0.808 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.820 2.424 2.788 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.121 1.295 3.109 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.021 -2.021 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.217 -1.585 4.332 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.543 -1.229 2.619 1.00 0.00 H new ATOM 889 N LYS A 58 -6.129 0.460 -1.035 1.00 0.00 N ATOM 890 CA LYS A 58 -6.468 -0.288 -2.234 1.00 0.00 C ATOM 891 C LYS A 58 -7.126 0.586 -3.275 1.00 0.00 C ATOM 892 O LYS A 58 -6.580 0.697 -4.355 1.00 0.00 O ATOM 893 CB LYS A 58 -7.212 -1.567 -1.895 1.00 0.00 C ATOM 894 CG LYS A 58 -7.969 -2.261 -3.026 1.00 0.00 C ATOM 895 CD LYS A 58 -9.436 -1.827 -3.169 1.00 0.00 C ATOM 896 CE LYS A 58 -10.288 -3.035 -3.593 1.00 0.00 C ATOM 897 NZ LYS A 58 -11.435 -2.646 -4.435 1.00 0.00 N ATOM 0 H LYS A 58 -6.595 0.131 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.547 -0.622 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.493 -2.277 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.924 -1.342 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.452 -2.066 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.936 -3.338 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.801 -1.424 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.521 -1.031 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.664 -3.743 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.652 -3.550 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.783 -3.478 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.195 -2.269 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.136 -1.916 -5.113 1.00 0.00 H new ATOM 911 N LYS A 59 -8.252 1.220 -2.982 1.00 0.00 N ATOM 912 CA LYS A 59 -8.866 2.236 -3.800 1.00 0.00 C ATOM 913 C LYS A 59 -7.813 3.109 -4.474 1.00 0.00 C ATOM 914 O LYS A 59 -7.807 3.186 -5.697 1.00 0.00 O ATOM 915 CB LYS A 59 -9.805 3.055 -2.916 1.00 0.00 C ATOM 916 CG LYS A 59 -10.991 3.652 -3.666 1.00 0.00 C ATOM 917 CD LYS A 59 -11.916 2.540 -4.187 1.00 0.00 C ATOM 918 CE LYS A 59 -13.396 2.953 -4.139 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.264 1.785 -3.899 1.00 0.00 N ATOM 0 H LYS A 59 -8.779 1.027 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.439 1.775 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.178 2.420 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.239 3.861 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.548 4.317 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.634 4.256 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.642 2.291 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.771 1.639 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.546 3.690 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.675 3.430 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.261 2.069 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.051 1.045 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.094 1.417 -2.941 1.00 0.00 H new ATOM 933 N GLN A 60 -6.896 3.725 -3.718 1.00 0.00 N ATOM 934 CA GLN A 60 -5.867 4.540 -4.368 1.00 0.00 C ATOM 935 C GLN A 60 -4.992 3.720 -5.328 1.00 0.00 C ATOM 936 O GLN A 60 -4.655 4.195 -6.410 1.00 0.00 O ATOM 937 CB GLN A 60 -4.987 5.208 -3.318 1.00 0.00 C ATOM 938 CG GLN A 60 -5.729 6.314 -2.559 1.00 0.00 C ATOM 939 CD GLN A 60 -5.882 7.625 -3.330 1.00 0.00 C ATOM 940 OE1 GLN A 60 -5.309 7.833 -4.402 1.00 0.00 O ATOM 941 NE2 GLN A 60 -6.662 8.543 -2.766 1.00 0.00 N ATOM 0 H GLN A 60 -6.845 3.679 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.383 5.297 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.635 4.457 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.105 5.629 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.720 5.949 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.199 6.515 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.124 8.344 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.798 9.446 -3.221 1.00 0.00 H new ATOM 950 N ILE A 61 -4.584 2.518 -4.919 1.00 0.00 N ATOM 951 CA ILE A 61 -3.715 1.649 -5.703 1.00 0.00 C ATOM 952 C ILE A 61 -4.465 1.087 -6.910 1.00 0.00 C ATOM 953 O ILE A 61 -4.129 1.429 -8.043 1.00 0.00 O ATOM 954 CB ILE A 61 -3.093 0.578 -4.805 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.191 1.326 -3.811 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.279 -0.419 -5.644 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.698 0.425 -2.692 1.00 0.00 C ATOM 0 H ILE A 61 -4.854 2.118 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.885 2.225 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.856 0.000 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.336 1.743 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.741 2.165 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.843 -1.174 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.932 -0.902 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.483 0.111 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.065 0.999 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.551 0.028 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.124 -0.399 -3.115 1.00 0.00 H new ATOM 969 N GLU A 62 -5.487 0.251 -6.682 1.00 0.00 N ATOM 970 CA GLU A 62 -6.427 -0.183 -7.698 1.00 0.00 C ATOM 971 C GLU A 62 -6.774 0.935 -8.687 1.00 0.00 C ATOM 972 O GLU A 62 -6.757 0.695 -9.891 1.00 0.00 O ATOM 973 CB GLU A 62 -7.700 -0.676 -6.991 1.00 0.00 C ATOM 974 CG GLU A 62 -8.142 -2.050 -7.476 1.00 0.00 C ATOM 975 CD GLU A 62 -9.483 -2.436 -6.862 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.270 -1.521 -6.524 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.710 -3.638 -6.620 1.00 0.00 O ATOM 0 H GLU A 62 -5.679 -0.145 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.968 -0.983 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.523 -0.713 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.505 0.040 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.222 -2.048 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.389 -2.793 -7.213 1.00 0.00 H new ATOM 984 N ALA A 63 -7.072 2.149 -8.201 1.00 0.00 N ATOM 985 CA ALA A 63 -7.458 3.260 -9.067 1.00 0.00 C ATOM 986 C ALA A 63 -6.432 3.544 -10.165 1.00 0.00 C ATOM 987 O ALA A 63 -6.812 3.985 -11.247 1.00 0.00 O ATOM 988 CB ALA A 63 -7.685 4.526 -8.246 1.00 0.00 C ATOM 0 H ALA A 63 -7.051 2.381 -7.208 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.386 2.960 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.972 5.343 -8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.479 4.351 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.766 4.789 -7.722 1.00 0.00 H new ATOM 994 N MET A 64 -5.142 3.315 -9.903 1.00 0.00 N ATOM 995 CA MET A 64 -4.122 3.445 -10.925 1.00 0.00 C ATOM 996 C MET A 64 -4.390 2.478 -12.081 1.00 0.00 C ATOM 997 O MET A 64 -4.198 2.833 -13.243 1.00 0.00 O ATOM 998 CB MET A 64 -2.747 3.174 -10.317 1.00 0.00 C ATOM 999 CG MET A 64 -2.374 4.090 -9.151 1.00 0.00 C ATOM 1000 SD MET A 64 -2.596 5.872 -9.399 1.00 0.00 S ATOM 1001 CE MET A 64 -1.753 6.486 -7.926 1.00 0.00 C ATOM 0 H MET A 64 -4.788 3.039 -8.987 1.00 0.00 H new ATOM 0 HA MET A 64 -4.146 4.461 -11.318 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.713 2.140 -9.974 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.993 3.276 -11.097 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.965 3.793 -8.285 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.328 3.911 -8.901 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.912 7.561 -7.837 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.152 5.986 -7.043 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.685 6.283 -8.007 1.00 0.00 H new ATOM 1011 N GLY A 65 -4.824 1.257 -11.756 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.198 0.231 -12.719 1.00 0.00 C ATOM 1013 C GLY A 65 -4.688 -1.143 -12.291 1.00 0.00 C ATOM 1014 O GLY A 65 -5.065 -2.154 -12.877 1.00 0.00 O ATOM 0 H GLY A 65 -4.926 0.952 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.283 0.203 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.792 0.483 -13.699 1.00 0.00 H new ATOM 1018 N PHE A 66 -3.808 -1.185 -11.287 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.086 -2.378 -10.890 1.00 0.00 C ATOM 1020 C PHE A 66 -3.901 -3.130 -9.828 1.00 0.00 C ATOM 1021 O PHE A 66 -4.024 -2.623 -8.714 1.00 0.00 O ATOM 1022 CB PHE A 66 -1.735 -1.925 -10.326 1.00 0.00 C ATOM 1023 CG PHE A 66 -0.955 -0.968 -11.205 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.672 -1.291 -12.544 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -0.584 0.291 -10.701 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.166 -0.305 -13.410 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.029 1.260 -11.552 1.00 0.00 C ATOM 1028 CZ PHE A 66 0.140 0.974 -12.915 1.00 0.00 C ATOM 0 H PHE A 66 -3.579 -0.368 -10.721 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.928 -3.052 -11.732 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.904 -1.449 -9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.122 -2.807 -10.144 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.843 -2.294 -12.907 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.727 0.514 -9.654 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.013 -0.531 -14.455 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.267 2.222 -11.159 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.506 1.738 -13.585 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.471 -4.309 -10.125 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.286 -5.032 -9.161 1.00 0.00 C ATOM 1040 C PRO A 67 -4.393 -5.563 -8.043 1.00 0.00 C ATOM 1041 O PRO A 67 -3.334 -6.120 -8.332 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.940 -6.164 -9.951 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.939 -6.444 -11.071 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.339 -5.067 -11.361 1.00 0.00 C ATOM 0 HA PRO A 67 -6.044 -4.407 -8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.103 -7.045 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.912 -5.868 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.176 -7.157 -10.759 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.427 -6.863 -11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.294 -5.151 -11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.865 -4.576 -12.179 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.803 -5.366 -6.784 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.009 -5.698 -5.606 1.00 0.00 C ATOM 1054 C ALA A 68 -4.725 -6.715 -4.719 1.00 0.00 C ATOM 1055 O ALA A 68 -5.939 -6.629 -4.539 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.717 -4.435 -4.798 1.00 0.00 C ATOM 0 H ALA A 68 -5.713 -4.964 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.074 -6.140 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.124 -4.693 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.163 -3.728 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.656 -3.981 -4.480 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.975 -7.651 -4.127 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.518 -8.736 -3.323 1.00 0.00 C ATOM 1064 C PHE A 69 -4.009 -8.611 -1.893 1.00 0.00 C ATOM 1065 O PHE A 69 -3.071 -9.305 -1.503 1.00 0.00 O ATOM 1066 CB PHE A 69 -4.189 -10.083 -3.969 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.486 -10.190 -5.457 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.714 -9.735 -5.977 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -3.518 -10.720 -6.332 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.959 -9.785 -7.360 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -3.767 -10.778 -7.714 1.00 0.00 C ATOM 1072 CZ PHE A 69 -4.987 -10.309 -8.229 1.00 0.00 C ATOM 0 H PHE A 69 -2.958 -7.671 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.605 -8.673 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.131 -10.292 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.748 -10.861 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.470 -9.346 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.580 -11.084 -5.939 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.896 -9.420 -7.755 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.020 -11.183 -8.380 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.178 -10.351 -9.291 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.634 -7.706 -1.137 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.401 -7.466 0.281 1.00 0.00 C ATOM 1084 C VAL A 70 -4.770 -8.700 1.114 1.00 0.00 C ATOM 1085 O VAL A 70 -5.944 -9.030 1.249 1.00 0.00 O ATOM 1086 CB VAL A 70 -5.091 -6.159 0.699 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.609 -6.243 0.654 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.632 -5.723 2.090 1.00 0.00 C ATOM 0 H VAL A 70 -5.352 -7.092 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.339 -7.318 0.479 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.791 -5.410 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.035 -5.288 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.931 -6.475 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.950 -7.026 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.134 -4.795 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.881 -6.498 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.554 -5.564 2.084 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.770 -9.408 1.654 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.997 -10.574 2.499 1.00 0.00 C ATOM 1100 C LYS A 71 -2.847 -10.844 3.481 1.00 0.00 C ATOM 1101 O LYS A 71 -2.196 -11.894 3.460 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.405 -11.774 1.653 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.361 -12.106 0.601 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.853 -13.311 -0.219 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.712 -14.179 -0.778 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.040 -15.621 -0.713 1.00 0.00 N ATOM 0 H LYS A 71 -2.785 -9.184 1.514 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.840 -10.358 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.557 -12.639 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.358 -11.568 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.195 -11.248 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.407 -12.336 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.496 -13.929 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.465 -12.952 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.513 -13.897 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.799 -13.987 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.248 -16.175 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.205 -15.895 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.897 -15.808 -1.272 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.559 -9.881 4.353 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.519 -10.013 5.358 1.00 0.00 C ATOM 1122 C LYS A 72 -1.799 -9.005 6.467 1.00 0.00 C ATOM 1123 O LYS A 72 -2.542 -8.059 6.217 1.00 0.00 O ATOM 1124 CB LYS A 72 -0.178 -9.782 4.658 1.00 0.00 C ATOM 1125 CG LYS A 72 0.994 -10.334 5.464 1.00 0.00 C ATOM 1126 CD LYS A 72 1.944 -11.228 4.659 1.00 0.00 C ATOM 1127 CE LYS A 72 1.500 -12.699 4.731 1.00 0.00 C ATOM 1128 NZ LYS A 72 0.192 -12.945 4.088 1.00 0.00 N ATOM 0 H LYS A 72 -3.045 -8.985 4.379 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.493 -11.000 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.196 -10.255 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.034 -8.714 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.561 -9.500 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.604 -10.904 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.966 -10.900 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.958 -11.130 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.255 -13.323 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.447 -13.005 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.067 -13.946 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.533 -12.348 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.254 -12.714 3.076 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.242 -9.203 7.665 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.511 -8.306 8.786 1.00 0.00 C ATOM 1144 C ILE A 73 -0.348 -8.373 9.781 1.00 0.00 C ATOM 1145 O ILE A 73 -0.520 -8.595 10.980 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.905 -8.632 9.381 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.394 -7.652 10.464 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.008 -10.075 9.901 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.553 -6.226 9.932 1.00 0.00 C ATOM 0 H ILE A 73 -0.607 -9.971 7.880 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.564 -7.265 8.467 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.573 -8.512 8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.349 -7.998 10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.688 -7.650 11.294 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.006 -10.246 10.306 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.825 -10.771 9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.267 -10.233 10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.900 -5.575 10.734 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.593 -5.866 9.562 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.280 -6.220 9.120 1.00 0.00 H new