USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 544 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 26 ASN :FLIP amide:sc= -4.05 F(o=-7.2!,f=-4) USER MOD Set 1.2: A 57 CYS SG : rot 180:sc=0.000222 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0637 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0723 K(o=-0.072,f=-0.99) USER MOD Single : A 9 GLN : amide:sc=-0.00524 X(o=-0.0052,f=-0.0052) USER MOD Single : A 10 MET CE :methyl -106:sc= -0.337 (180deg=-3.01!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0577 K(o=-0.058,f=-7.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.12! C(o=-4.1!,f=-11!) USER MOD Single : A 38 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.5) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -76:sc= 1.21 USER MOD Single : A 59 HIS :FLIP no HD1:sc=-0.00248 F(o=-0.82,f=-0.0025) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.675 K(o=-0.68,f=-2.6!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 30:sc= 0.312 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.762 27.656 6.284 1.00 0.00 N ATOM 2 CA GLY A 1 -22.900 28.794 6.025 1.00 0.00 C ATOM 3 C GLY A 1 -22.137 28.659 4.722 1.00 0.00 C ATOM 4 O GLY A 1 -22.114 27.588 4.117 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.757 27.952 6.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.576 26.913 5.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.572 27.286 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.501 29.703 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.193 28.905 6.847 1.00 0.00 H new ATOM 8 N SER A 2 -21.512 29.749 4.289 1.00 0.00 N ATOM 9 CA SER A 2 -20.748 29.749 3.047 1.00 0.00 C ATOM 10 C SER A 2 -19.275 29.455 3.314 1.00 0.00 C ATOM 11 O SER A 2 -18.547 30.299 3.835 1.00 0.00 O ATOM 12 CB SER A 2 -20.890 31.097 2.336 1.00 0.00 C ATOM 13 OG SER A 2 -22.241 31.354 1.995 1.00 0.00 O ATOM 0 H SER A 2 -21.520 30.643 4.780 1.00 0.00 H new ATOM 0 HA SER A 2 -21.146 28.963 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.517 31.893 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.277 31.103 1.435 1.00 0.00 H new ATOM 0 HG SER A 2 -22.305 32.222 1.544 1.00 0.00 H new ATOM 19 N SER A 3 -18.844 28.251 2.953 1.00 0.00 N ATOM 20 CA SER A 3 -17.459 27.842 3.157 1.00 0.00 C ATOM 21 C SER A 3 -16.609 28.176 1.935 1.00 0.00 C ATOM 22 O SER A 3 -17.009 27.927 0.799 1.00 0.00 O ATOM 23 CB SER A 3 -17.386 26.342 3.449 1.00 0.00 C ATOM 24 OG SER A 3 -17.957 26.039 4.710 1.00 0.00 O ATOM 0 H SER A 3 -19.434 27.541 2.518 1.00 0.00 H new ATOM 0 HA SER A 3 -17.066 28.391 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.909 25.790 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.346 26.015 3.429 1.00 0.00 H new ATOM 0 HG SER A 3 -17.899 25.074 4.872 1.00 0.00 H new ATOM 30 N GLY A 4 -15.431 28.743 2.178 1.00 0.00 N ATOM 31 CA GLY A 4 -14.541 29.102 1.090 1.00 0.00 C ATOM 32 C GLY A 4 -13.101 29.247 1.541 1.00 0.00 C ATOM 33 O GLY A 4 -12.492 30.302 1.367 1.00 0.00 O ATOM 0 H GLY A 4 -15.077 28.960 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.600 28.342 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.875 30.040 0.646 1.00 0.00 H new ATOM 37 N SER A 5 -12.556 28.184 2.124 1.00 0.00 N ATOM 38 CA SER A 5 -11.180 28.199 2.606 1.00 0.00 C ATOM 39 C SER A 5 -10.261 27.445 1.650 1.00 0.00 C ATOM 40 O SER A 5 -10.654 26.442 1.055 1.00 0.00 O ATOM 41 CB SER A 5 -11.101 27.580 4.003 1.00 0.00 C ATOM 42 OG SER A 5 -11.504 26.221 3.983 1.00 0.00 O ATOM 0 H SER A 5 -13.046 27.302 2.274 1.00 0.00 H new ATOM 0 HA SER A 5 -10.849 29.236 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.081 27.654 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.736 28.141 4.689 1.00 0.00 H new ATOM 0 HG SER A 5 -11.443 25.848 4.887 1.00 0.00 H new ATOM 48 N SER A 6 -9.034 27.936 1.509 1.00 0.00 N ATOM 49 CA SER A 6 -8.058 27.312 0.623 1.00 0.00 C ATOM 50 C SER A 6 -6.674 27.296 1.263 1.00 0.00 C ATOM 51 O SER A 6 -6.276 28.249 1.932 1.00 0.00 O ATOM 52 CB SER A 6 -8.006 28.052 -0.715 1.00 0.00 C ATOM 53 OG SER A 6 -7.424 27.244 -1.723 1.00 0.00 O ATOM 0 H SER A 6 -8.692 28.764 1.997 1.00 0.00 H new ATOM 0 HA SER A 6 -8.369 26.282 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.014 28.341 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.430 28.971 -0.604 1.00 0.00 H new ATOM 0 HG SER A 6 -7.404 27.739 -2.568 1.00 0.00 H new ATOM 59 N GLY A 7 -5.943 26.206 1.053 1.00 0.00 N ATOM 60 CA GLY A 7 -4.611 26.085 1.616 1.00 0.00 C ATOM 61 C GLY A 7 -4.131 24.648 1.667 1.00 0.00 C ATOM 62 O GLY A 7 -4.111 24.032 2.732 1.00 0.00 O ATOM 0 H GLY A 7 -6.250 25.404 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.914 26.677 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.606 26.502 2.623 1.00 0.00 H new ATOM 66 N GLN A 8 -3.745 24.113 0.513 1.00 0.00 N ATOM 67 CA GLN A 8 -3.266 22.739 0.432 1.00 0.00 C ATOM 68 C GLN A 8 -1.906 22.677 -0.256 1.00 0.00 C ATOM 69 O GLN A 8 -1.439 23.667 -0.818 1.00 0.00 O ATOM 70 CB GLN A 8 -4.272 21.869 -0.324 1.00 0.00 C ATOM 71 CG GLN A 8 -4.403 22.228 -1.795 1.00 0.00 C ATOM 72 CD GLN A 8 -5.699 21.730 -2.404 1.00 0.00 C ATOM 73 OE1 GLN A 8 -6.746 21.734 -1.756 1.00 0.00 O ATOM 74 NE2 GLN A 8 -5.635 21.296 -3.658 1.00 0.00 N ATOM 0 H GLN A 8 -3.755 24.610 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.158 22.358 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.972 20.824 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.248 21.960 0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.346 23.311 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.562 21.805 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.746 21.311 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.475 20.948 -4.121 1.00 0.00 H new ATOM 83 N GLN A 9 -1.276 21.507 -0.207 1.00 0.00 N ATOM 84 CA GLN A 9 0.031 21.318 -0.824 1.00 0.00 C ATOM 85 C GLN A 9 0.886 22.573 -0.687 1.00 0.00 C ATOM 86 O GLN A 9 1.547 22.993 -1.636 1.00 0.00 O ATOM 87 CB GLN A 9 -0.127 20.953 -2.301 1.00 0.00 C ATOM 88 CG GLN A 9 -0.939 19.689 -2.533 1.00 0.00 C ATOM 89 CD GLN A 9 -0.194 18.434 -2.125 1.00 0.00 C ATOM 90 OE1 GLN A 9 0.806 18.064 -2.741 1.00 0.00 O ATOM 91 NE2 GLN A 9 -0.678 17.770 -1.081 1.00 0.00 N ATOM 0 H GLN A 9 -1.650 20.677 0.253 1.00 0.00 H new ATOM 0 HA GLN A 9 0.534 20.501 -0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.605 21.782 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.861 20.826 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.871 19.752 -1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.206 19.622 -3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.509 18.113 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.218 16.918 -0.761 1.00 0.00 H new ATOM 100 N MET A 10 0.867 23.169 0.501 1.00 0.00 N ATOM 101 CA MET A 10 1.641 24.377 0.763 1.00 0.00 C ATOM 102 C MET A 10 2.899 24.054 1.563 1.00 0.00 C ATOM 103 O MET A 10 3.263 24.784 2.484 1.00 0.00 O ATOM 104 CB MET A 10 0.791 25.400 1.518 1.00 0.00 C ATOM 105 CG MET A 10 0.227 24.873 2.828 1.00 0.00 C ATOM 106 SD MET A 10 -0.380 26.188 3.902 1.00 0.00 S ATOM 107 CE MET A 10 -1.643 26.918 2.862 1.00 0.00 C ATOM 0 H MET A 10 0.324 22.835 1.297 1.00 0.00 H new ATOM 0 HA MET A 10 1.940 24.801 -0.195 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.396 26.283 1.722 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.033 25.718 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.586 24.178 2.616 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.000 24.310 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.288 27.873 2.475 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.862 26.248 2.030 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.549 27.077 3.447 1.00 0.00 H new ATOM 117 N GLN A 11 3.557 22.956 1.204 1.00 0.00 N ATOM 118 CA GLN A 11 4.774 22.538 1.890 1.00 0.00 C ATOM 119 C GLN A 11 5.567 21.551 1.039 1.00 0.00 C ATOM 120 O GLN A 11 4.996 20.798 0.251 1.00 0.00 O ATOM 121 CB GLN A 11 4.431 21.904 3.240 1.00 0.00 C ATOM 122 CG GLN A 11 5.536 22.042 4.275 1.00 0.00 C ATOM 123 CD GLN A 11 5.121 21.538 5.643 1.00 0.00 C ATOM 124 OE1 GLN A 11 4.660 20.405 5.787 1.00 0.00 O ATOM 125 NE2 GLN A 11 5.281 22.380 6.657 1.00 0.00 N ATOM 0 H GLN A 11 3.268 22.341 0.443 1.00 0.00 H new ATOM 0 HA GLN A 11 5.389 23.422 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.522 22.364 3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.214 20.846 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.414 21.490 3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.828 23.089 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.667 23.310 6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.018 22.097 7.601 1.00 0.00 H new ATOM 134 N ALA A 12 6.886 21.562 1.204 1.00 0.00 N ATOM 135 CA ALA A 12 7.756 20.667 0.452 1.00 0.00 C ATOM 136 C ALA A 12 8.186 19.476 1.302 1.00 0.00 C ATOM 137 O ALA A 12 8.152 19.535 2.531 1.00 0.00 O ATOM 138 CB ALA A 12 8.976 21.421 -0.057 1.00 0.00 C ATOM 0 H ALA A 12 7.375 22.181 1.851 1.00 0.00 H new ATOM 0 HA ALA A 12 7.194 20.287 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.617 20.740 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.656 22.235 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.530 21.829 0.788 1.00 0.00 H new ATOM 144 N GLU A 13 8.589 18.396 0.640 1.00 0.00 N ATOM 145 CA GLU A 13 9.023 17.191 1.337 1.00 0.00 C ATOM 146 C GLU A 13 10.472 17.321 1.797 1.00 0.00 C ATOM 147 O GLU A 13 11.313 17.875 1.088 1.00 0.00 O ATOM 148 CB GLU A 13 8.873 15.968 0.430 1.00 0.00 C ATOM 149 CG GLU A 13 7.433 15.515 0.254 1.00 0.00 C ATOM 150 CD GLU A 13 6.651 16.408 -0.689 1.00 0.00 C ATOM 151 OE1 GLU A 13 7.089 16.578 -1.846 1.00 0.00 O ATOM 152 OE2 GLU A 13 5.600 16.937 -0.269 1.00 0.00 O ATOM 0 H GLU A 13 8.624 18.331 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 13 8.390 17.063 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.295 16.197 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.456 15.145 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.421 14.493 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.940 15.499 1.226 1.00 0.00 H new ATOM 159 N SER A 14 10.757 16.808 2.990 1.00 0.00 N ATOM 160 CA SER A 14 12.102 16.870 3.548 1.00 0.00 C ATOM 161 C SER A 14 12.521 15.515 4.109 1.00 0.00 C ATOM 162 O SER A 14 12.092 15.119 5.192 1.00 0.00 O ATOM 163 CB SER A 14 12.173 17.933 4.646 1.00 0.00 C ATOM 164 OG SER A 14 13.373 17.818 5.390 1.00 0.00 O ATOM 0 H SER A 14 10.073 16.345 3.589 1.00 0.00 H new ATOM 0 HA SER A 14 12.789 17.140 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.112 18.926 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.317 17.830 5.313 1.00 0.00 H new ATOM 0 HG SER A 14 13.395 18.509 6.084 1.00 0.00 H new ATOM 170 N GLY A 15 13.363 14.806 3.362 1.00 0.00 N ATOM 171 CA GLY A 15 13.826 13.503 3.800 1.00 0.00 C ATOM 172 C GLY A 15 12.915 12.380 3.344 1.00 0.00 C ATOM 173 O GLY A 15 12.754 12.151 2.145 1.00 0.00 O ATOM 0 H GLY A 15 13.732 15.112 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.831 13.330 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.895 13.492 4.888 1.00 0.00 H new ATOM 177 N PHE A 16 12.319 11.678 4.301 1.00 0.00 N ATOM 178 CA PHE A 16 11.422 10.571 3.992 1.00 0.00 C ATOM 179 C PHE A 16 10.318 10.455 5.039 1.00 0.00 C ATOM 180 O PHE A 16 10.476 10.904 6.175 1.00 0.00 O ATOM 181 CB PHE A 16 12.204 9.258 3.912 1.00 0.00 C ATOM 182 CG PHE A 16 12.850 9.026 2.576 1.00 0.00 C ATOM 183 CD1 PHE A 16 13.932 9.791 2.172 1.00 0.00 C ATOM 184 CD2 PHE A 16 12.375 8.041 1.725 1.00 0.00 C ATOM 185 CE1 PHE A 16 14.529 9.579 0.944 1.00 0.00 C ATOM 186 CE2 PHE A 16 12.968 7.825 0.495 1.00 0.00 C ATOM 187 CZ PHE A 16 14.046 8.595 0.104 1.00 0.00 C ATOM 0 H PHE A 16 12.441 11.856 5.298 1.00 0.00 H new ATOM 0 HA PHE A 16 10.961 10.771 3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 16 12.973 9.255 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.530 8.429 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 16 14.313 10.562 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.533 7.436 2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 16 15.372 10.182 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.589 7.055 -0.160 1.00 0.00 H new ATOM 0 HZ PHE A 16 14.510 8.428 -0.857 1.00 0.00 H new ATOM 197 N VAL A 17 9.201 9.852 4.649 1.00 0.00 N ATOM 198 CA VAL A 17 8.070 9.676 5.553 1.00 0.00 C ATOM 199 C VAL A 17 8.102 8.302 6.212 1.00 0.00 C ATOM 200 O VAL A 17 8.438 7.305 5.574 1.00 0.00 O ATOM 201 CB VAL A 17 6.729 9.849 4.816 1.00 0.00 C ATOM 202 CG1 VAL A 17 5.565 9.706 5.784 1.00 0.00 C ATOM 203 CG2 VAL A 17 6.681 11.194 4.106 1.00 0.00 C ATOM 0 H VAL A 17 9.054 9.476 3.712 1.00 0.00 H new ATOM 0 HA VAL A 17 8.156 10.446 6.320 1.00 0.00 H new ATOM 0 HB VAL A 17 6.643 9.064 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.626 9.831 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.592 8.717 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.642 10.467 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.726 11.299 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.789 11.995 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.493 11.252 3.381 1.00 0.00 H new ATOM 213 N GLN A 18 7.750 8.257 7.493 1.00 0.00 N ATOM 214 CA GLN A 18 7.738 7.005 8.239 1.00 0.00 C ATOM 215 C GLN A 18 6.327 6.661 8.704 1.00 0.00 C ATOM 216 O GLN A 18 5.846 7.192 9.706 1.00 0.00 O ATOM 217 CB GLN A 18 8.677 7.094 9.443 1.00 0.00 C ATOM 218 CG GLN A 18 8.718 8.473 10.081 1.00 0.00 C ATOM 219 CD GLN A 18 9.284 8.449 11.487 1.00 0.00 C ATOM 220 OE1 GLN A 18 10.337 9.028 11.755 1.00 0.00 O ATOM 221 NE2 GLN A 18 8.585 7.778 12.395 1.00 0.00 N ATOM 0 H GLN A 18 7.469 9.074 8.036 1.00 0.00 H new ATOM 0 HA GLN A 18 8.085 6.213 7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.365 6.366 10.191 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.684 6.818 9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.321 9.138 9.462 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.710 8.888 10.106 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.717 7.313 12.129 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.916 7.728 13.359 1.00 0.00 H new ATOM 230 N HIS A 19 5.668 5.770 7.971 1.00 0.00 N ATOM 231 CA HIS A 19 4.311 5.355 8.309 1.00 0.00 C ATOM 232 C HIS A 19 4.326 4.261 9.373 1.00 0.00 C ATOM 233 O HIS A 19 4.788 3.147 9.126 1.00 0.00 O ATOM 234 CB HIS A 19 3.581 4.859 7.061 1.00 0.00 C ATOM 235 CG HIS A 19 3.784 5.732 5.861 1.00 0.00 C ATOM 236 ND1 HIS A 19 2.954 6.788 5.550 1.00 0.00 N ATOM 237 CD2 HIS A 19 4.731 5.702 4.895 1.00 0.00 C ATOM 238 CE1 HIS A 19 3.381 7.369 4.443 1.00 0.00 C ATOM 239 NE2 HIS A 19 4.458 6.729 4.025 1.00 0.00 N ATOM 0 H HIS A 19 6.051 5.321 7.139 1.00 0.00 H new ATOM 0 HA HIS A 19 3.783 6.220 8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.922 3.850 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.514 4.794 7.276 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.549 5.001 4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.927 8.222 3.962 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.999 6.960 3.192 1.00 0.00 H new ATOM 247 N VAL A 20 3.819 4.587 10.557 1.00 0.00 N ATOM 248 CA VAL A 20 3.774 3.632 11.658 1.00 0.00 C ATOM 249 C VAL A 20 2.429 2.915 11.709 1.00 0.00 C ATOM 250 O VAL A 20 1.398 3.481 11.352 1.00 0.00 O ATOM 251 CB VAL A 20 4.025 4.324 13.011 1.00 0.00 C ATOM 252 CG1 VAL A 20 3.947 3.317 14.149 1.00 0.00 C ATOM 253 CG2 VAL A 20 5.372 5.030 13.006 1.00 0.00 C ATOM 0 H VAL A 20 3.434 5.505 10.779 1.00 0.00 H new ATOM 0 HA VAL A 20 4.565 2.904 11.478 1.00 0.00 H new ATOM 0 HB VAL A 20 3.248 5.073 13.166 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.127 3.824 15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.957 2.861 14.164 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.701 2.543 14.003 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.533 5.513 13.970 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.164 4.302 12.829 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.386 5.781 12.216 1.00 0.00 H new ATOM 263 N GLY A 21 2.450 1.663 12.157 1.00 0.00 N ATOM 264 CA GLY A 21 1.226 0.887 12.247 1.00 0.00 C ATOM 265 C GLY A 21 0.952 0.089 10.987 1.00 0.00 C ATOM 266 O GLY A 21 0.402 -1.011 11.048 1.00 0.00 O ATOM 0 H GLY A 21 3.292 1.173 12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.292 0.208 13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.388 1.557 12.439 1.00 0.00 H new ATOM 270 N PHE A 22 1.333 0.644 9.842 1.00 0.00 N ATOM 271 CA PHE A 22 1.123 -0.022 8.562 1.00 0.00 C ATOM 272 C PHE A 22 2.324 -0.890 8.197 1.00 0.00 C ATOM 273 O PHE A 22 3.469 -0.442 8.255 1.00 0.00 O ATOM 274 CB PHE A 22 0.872 1.010 7.461 1.00 0.00 C ATOM 275 CG PHE A 22 -0.290 1.919 7.745 1.00 0.00 C ATOM 276 CD1 PHE A 22 -0.149 2.998 8.602 1.00 0.00 C ATOM 277 CD2 PHE A 22 -1.523 1.694 7.154 1.00 0.00 C ATOM 278 CE1 PHE A 22 -1.217 3.835 8.866 1.00 0.00 C ATOM 279 CE2 PHE A 22 -2.594 2.528 7.413 1.00 0.00 C ATOM 280 CZ PHE A 22 -2.441 3.601 8.269 1.00 0.00 C ATOM 0 H PHE A 22 1.789 1.554 9.774 1.00 0.00 H new ATOM 0 HA PHE A 22 0.247 -0.664 8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.770 1.613 7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.694 0.490 6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.806 3.188 9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.648 0.857 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.095 4.671 9.538 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.550 2.341 6.946 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.276 4.256 8.471 1.00 0.00 H new ATOM 290 N LYS A 23 2.053 -2.135 7.820 1.00 0.00 N ATOM 291 CA LYS A 23 3.109 -3.068 7.444 1.00 0.00 C ATOM 292 C LYS A 23 2.887 -3.600 6.032 1.00 0.00 C ATOM 293 O LYS A 23 1.750 -3.798 5.603 1.00 0.00 O ATOM 294 CB LYS A 23 3.167 -4.231 8.436 1.00 0.00 C ATOM 295 CG LYS A 23 4.154 -5.317 8.043 1.00 0.00 C ATOM 296 CD LYS A 23 3.688 -6.688 8.503 1.00 0.00 C ATOM 297 CE LYS A 23 4.843 -7.676 8.570 1.00 0.00 C ATOM 298 NZ LYS A 23 5.470 -7.706 9.920 1.00 0.00 N ATOM 0 H LYS A 23 1.111 -2.521 7.767 1.00 0.00 H new ATOM 0 HA LYS A 23 4.058 -2.532 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.436 -3.846 9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.174 -4.670 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.281 -5.319 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.129 -5.098 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.222 -6.605 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.926 -7.063 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.483 -8.673 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.594 -7.408 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.252 -8.391 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.836 -6.761 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.760 -7.987 10.626 1.00 0.00 H new ATOM 312 N CYS A 24 3.980 -3.831 5.313 1.00 0.00 N ATOM 313 CA CYS A 24 3.906 -4.342 3.949 1.00 0.00 C ATOM 314 C CYS A 24 3.396 -5.780 3.934 1.00 0.00 C ATOM 315 O CYS A 24 3.674 -6.557 4.847 1.00 0.00 O ATOM 316 CB CYS A 24 5.280 -4.268 3.279 1.00 0.00 C ATOM 317 SG CYS A 24 5.279 -4.764 1.526 1.00 0.00 S ATOM 0 H CYS A 24 4.929 -3.672 5.652 1.00 0.00 H new ATOM 0 HA CYS A 24 3.204 -3.721 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.656 -3.248 3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.974 -4.906 3.826 1.00 0.00 H new ATOM 322 N ASP A 25 2.651 -6.126 2.891 1.00 0.00 N ATOM 323 CA ASP A 25 2.103 -7.471 2.755 1.00 0.00 C ATOM 324 C ASP A 25 2.971 -8.320 1.831 1.00 0.00 C ATOM 325 O ASP A 25 2.911 -9.548 1.864 1.00 0.00 O ATOM 326 CB ASP A 25 0.672 -7.410 2.218 1.00 0.00 C ATOM 327 CG ASP A 25 -0.121 -8.661 2.542 1.00 0.00 C ATOM 328 OD1 ASP A 25 -0.695 -8.729 3.650 1.00 0.00 O ATOM 329 OD2 ASP A 25 -0.169 -9.570 1.689 1.00 0.00 O ATOM 0 H ASP A 25 2.412 -5.494 2.127 1.00 0.00 H new ATOM 0 HA ASP A 25 2.093 -7.934 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.165 -6.542 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.698 -7.269 1.137 1.00 0.00 H new ATOM 334 N ASN A 26 3.775 -7.656 1.007 1.00 0.00 N ATOM 335 CA ASN A 26 4.653 -8.350 0.072 1.00 0.00 C ATOM 336 C ASN A 26 5.862 -8.936 0.795 1.00 0.00 C ATOM 337 O ASN A 26 6.103 -10.143 0.747 1.00 0.00 O ATOM 338 CB ASN A 26 5.117 -7.395 -1.029 1.00 0.00 C ATOM 339 CG ASN A 26 6.117 -8.039 -1.970 1.00 0.00 C ATOM 340 OD1 ASN A 26 7.319 -8.299 -1.468 1.00 0.00 O flip ATOM 341 ND2 ASN A 26 5.812 -8.300 -3.134 1.00 0.00 N flip ATOM 0 H ASN A 26 3.837 -6.639 0.968 1.00 0.00 H new ATOM 0 HA ASN A 26 4.090 -9.167 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.253 -7.055 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.566 -6.512 -0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.876 -8.083 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.495 -8.734 -3.755 1.00 0.00 H new ATOM 348 N CYS A 27 6.619 -8.074 1.466 1.00 0.00 N ATOM 349 CA CYS A 27 7.803 -8.505 2.199 1.00 0.00 C ATOM 350 C CYS A 27 7.526 -8.553 3.699 1.00 0.00 C ATOM 351 O CYS A 27 7.862 -9.526 4.372 1.00 0.00 O ATOM 352 CB CYS A 27 8.975 -7.563 1.916 1.00 0.00 C ATOM 353 SG CYS A 27 8.663 -5.829 2.379 1.00 0.00 S ATOM 0 H CYS A 27 6.433 -7.072 1.517 1.00 0.00 H new ATOM 0 HA CYS A 27 8.063 -9.509 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.852 -7.920 2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.214 -7.607 0.853 1.00 0.00 H new ATOM 358 N GLY A 28 6.909 -7.494 4.216 1.00 0.00 N ATOM 359 CA GLY A 28 6.597 -7.436 5.632 1.00 0.00 C ATOM 360 C GLY A 28 7.357 -6.337 6.348 1.00 0.00 C ATOM 361 O GLY A 28 7.514 -6.376 7.569 1.00 0.00 O ATOM 0 H GLY A 28 6.620 -6.676 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.526 -7.275 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.832 -8.396 6.092 1.00 0.00 H new ATOM 365 N ILE A 29 7.831 -5.355 5.588 1.00 0.00 N ATOM 366 CA ILE A 29 8.579 -4.242 6.158 1.00 0.00 C ATOM 367 C ILE A 29 7.674 -3.341 6.992 1.00 0.00 C ATOM 368 O ILE A 29 6.679 -2.814 6.494 1.00 0.00 O ATOM 369 CB ILE A 29 9.255 -3.398 5.062 1.00 0.00 C ATOM 370 CG1 ILE A 29 9.992 -2.209 5.683 1.00 0.00 C ATOM 371 CG2 ILE A 29 8.224 -2.918 4.051 1.00 0.00 C ATOM 372 CD1 ILE A 29 11.151 -1.713 4.848 1.00 0.00 C ATOM 0 H ILE A 29 7.710 -5.308 4.576 1.00 0.00 H new ATOM 0 HA ILE A 29 9.348 -4.674 6.799 1.00 0.00 H new ATOM 0 HB ILE A 29 9.983 -4.022 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.286 -1.392 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.361 -2.495 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.718 -2.323 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.740 -3.778 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.475 -2.309 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.626 -0.870 5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.877 -2.516 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.786 -1.396 3.871 1.00 0.00 H new ATOM 384 N GLU A 30 8.027 -3.168 8.261 1.00 0.00 N ATOM 385 CA GLU A 30 7.247 -2.330 9.164 1.00 0.00 C ATOM 386 C GLU A 30 8.131 -1.737 10.257 1.00 0.00 C ATOM 387 O GLU A 30 8.935 -2.427 10.883 1.00 0.00 O ATOM 388 CB GLU A 30 6.111 -3.139 9.794 1.00 0.00 C ATOM 389 CG GLU A 30 5.556 -2.521 11.065 1.00 0.00 C ATOM 390 CD GLU A 30 4.606 -3.448 11.799 1.00 0.00 C ATOM 391 OE1 GLU A 30 5.029 -4.567 12.156 1.00 0.00 O ATOM 392 OE2 GLU A 30 3.441 -3.055 12.015 1.00 0.00 O ATOM 0 H GLU A 30 8.848 -3.597 8.688 1.00 0.00 H new ATOM 0 HA GLU A 30 6.821 -1.512 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.304 -3.243 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.471 -4.144 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.381 -2.256 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.036 -1.596 10.817 1.00 0.00 H new ATOM 399 N PRO A 31 7.980 -0.425 10.493 1.00 0.00 N ATOM 400 CA PRO A 31 7.026 0.408 9.753 1.00 0.00 C ATOM 401 C PRO A 31 7.443 0.617 8.302 1.00 0.00 C ATOM 402 O PRO A 31 8.606 0.421 7.946 1.00 0.00 O ATOM 403 CB PRO A 31 7.052 1.736 10.514 1.00 0.00 C ATOM 404 CG PRO A 31 8.390 1.774 11.166 1.00 0.00 C ATOM 405 CD PRO A 31 8.729 0.347 11.498 1.00 0.00 C ATOM 0 HA PRO A 31 6.038 -0.050 9.701 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.916 2.581 9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.251 1.785 11.252 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.136 2.208 10.500 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.369 2.390 12.065 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.801 0.162 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.425 0.087 12.512 1.00 0.00 H new ATOM 413 N ILE A 32 6.488 1.016 7.468 1.00 0.00 N ATOM 414 CA ILE A 32 6.758 1.253 6.056 1.00 0.00 C ATOM 415 C ILE A 32 7.367 2.633 5.836 1.00 0.00 C ATOM 416 O ILE A 32 6.741 3.652 6.128 1.00 0.00 O ATOM 417 CB ILE A 32 5.477 1.129 5.210 1.00 0.00 C ATOM 418 CG1 ILE A 32 4.875 -0.270 5.357 1.00 0.00 C ATOM 419 CG2 ILE A 32 5.775 1.432 3.749 1.00 0.00 C ATOM 420 CD1 ILE A 32 3.465 -0.381 4.819 1.00 0.00 C ATOM 0 H ILE A 32 5.521 1.182 7.746 1.00 0.00 H new ATOM 0 HA ILE A 32 7.469 0.490 5.739 1.00 0.00 H new ATOM 0 HB ILE A 32 4.750 1.857 5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.511 -0.987 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.876 -0.548 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.860 1.340 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.162 2.447 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.517 0.726 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.102 -1.400 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.815 0.311 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.460 -0.134 3.757 1.00 0.00 H new ATOM 432 N GLN A 33 8.591 2.658 5.318 1.00 0.00 N ATOM 433 CA GLN A 33 9.285 3.914 5.059 1.00 0.00 C ATOM 434 C GLN A 33 9.116 4.338 3.603 1.00 0.00 C ATOM 435 O GLN A 33 9.283 3.533 2.688 1.00 0.00 O ATOM 436 CB GLN A 33 10.771 3.779 5.394 1.00 0.00 C ATOM 437 CG GLN A 33 11.059 3.765 6.887 1.00 0.00 C ATOM 438 CD GLN A 33 10.240 2.727 7.629 1.00 0.00 C ATOM 439 OE1 GLN A 33 9.068 2.948 7.936 1.00 0.00 O ATOM 440 NE2 GLN A 33 10.854 1.587 7.922 1.00 0.00 N ATOM 0 H GLN A 33 9.122 1.823 5.070 1.00 0.00 H new ATOM 0 HA GLN A 33 8.845 4.681 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.153 2.860 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.315 4.605 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.119 3.568 7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.852 4.751 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.826 1.447 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.353 0.852 8.421 1.00 0.00 H new ATOM 449 N GLY A 34 8.783 5.609 3.397 1.00 0.00 N ATOM 450 CA GLY A 34 8.597 6.117 2.050 1.00 0.00 C ATOM 451 C GLY A 34 7.135 6.294 1.694 1.00 0.00 C ATOM 452 O GLY A 34 6.423 7.072 2.329 1.00 0.00 O ATOM 0 H GLY A 34 8.639 6.295 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.110 7.074 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.060 5.432 1.340 1.00 0.00 H new ATOM 456 N VAL A 35 6.684 5.570 0.674 1.00 0.00 N ATOM 457 CA VAL A 35 5.296 5.651 0.234 1.00 0.00 C ATOM 458 C VAL A 35 4.600 4.301 0.362 1.00 0.00 C ATOM 459 O VAL A 35 5.080 3.292 -0.154 1.00 0.00 O ATOM 460 CB VAL A 35 5.198 6.131 -1.227 1.00 0.00 C ATOM 461 CG1 VAL A 35 3.754 6.095 -1.704 1.00 0.00 C ATOM 462 CG2 VAL A 35 5.781 7.528 -1.369 1.00 0.00 C ATOM 0 H VAL A 35 7.259 4.921 0.137 1.00 0.00 H new ATOM 0 HA VAL A 35 4.800 6.375 0.881 1.00 0.00 H new ATOM 0 HB VAL A 35 5.780 5.455 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.704 6.437 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.375 5.075 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.147 6.747 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.703 7.851 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.229 8.219 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.829 7.517 -1.070 1.00 0.00 H new ATOM 472 N ARG A 36 3.465 4.290 1.053 1.00 0.00 N ATOM 473 CA ARG A 36 2.702 3.064 1.250 1.00 0.00 C ATOM 474 C ARG A 36 1.641 2.903 0.164 1.00 0.00 C ATOM 475 O ARG A 36 0.661 3.647 0.126 1.00 0.00 O ATOM 476 CB ARG A 36 2.039 3.066 2.629 1.00 0.00 C ATOM 477 CG ARG A 36 1.193 1.833 2.900 1.00 0.00 C ATOM 478 CD ARG A 36 0.572 1.877 4.287 1.00 0.00 C ATOM 479 NE ARG A 36 -0.467 2.899 4.389 1.00 0.00 N ATOM 480 CZ ARG A 36 -0.223 4.165 4.708 1.00 0.00 C ATOM 481 NH1 ARG A 36 1.017 4.564 4.954 1.00 0.00 N ATOM 482 NH2 ARG A 36 -1.222 5.036 4.781 1.00 0.00 N ATOM 0 H ARG A 36 3.054 5.117 1.486 1.00 0.00 H new ATOM 0 HA ARG A 36 3.392 2.223 1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.812 3.141 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.412 3.953 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.406 1.759 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.810 0.939 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.146 0.902 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.349 2.074 5.026 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.432 2.625 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.788 3.898 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.201 5.537 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.178 4.733 4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.034 6.008 5.026 1.00 0.00 H new ATOM 496 N TRP A 37 1.846 1.929 -0.715 1.00 0.00 N ATOM 497 CA TRP A 37 0.907 1.671 -1.801 1.00 0.00 C ATOM 498 C TRP A 37 -0.316 0.915 -1.296 1.00 0.00 C ATOM 499 O TRP A 37 -0.302 -0.312 -1.196 1.00 0.00 O ATOM 500 CB TRP A 37 1.591 0.875 -2.914 1.00 0.00 C ATOM 501 CG TRP A 37 2.598 1.674 -3.684 1.00 0.00 C ATOM 502 CD1 TRP A 37 3.925 1.818 -3.394 1.00 0.00 C ATOM 503 CD2 TRP A 37 2.359 2.441 -4.870 1.00 0.00 C ATOM 504 NE1 TRP A 37 4.525 2.628 -4.328 1.00 0.00 N ATOM 505 CE2 TRP A 37 3.586 3.022 -5.244 1.00 0.00 C ATOM 506 CE3 TRP A 37 1.228 2.691 -5.652 1.00 0.00 C ATOM 507 CZ2 TRP A 37 3.711 3.838 -6.366 1.00 0.00 C ATOM 508 CZ3 TRP A 37 1.354 3.501 -6.764 1.00 0.00 C ATOM 509 CH2 TRP A 37 2.588 4.067 -7.113 1.00 0.00 C ATOM 0 H TRP A 37 2.653 1.305 -0.697 1.00 0.00 H new ATOM 0 HA TRP A 37 0.577 2.631 -2.199 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.084 0.006 -2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.833 0.500 -3.602 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.429 1.362 -2.554 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.510 2.893 -4.338 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.273 2.259 -5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.661 4.275 -6.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.486 3.702 -7.375 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.653 4.696 -7.988 1.00 0.00 H new ATOM 520 N HIS A 38 -1.375 1.655 -0.979 1.00 0.00 N ATOM 521 CA HIS A 38 -2.608 1.052 -0.485 1.00 0.00 C ATOM 522 C HIS A 38 -3.516 0.647 -1.642 1.00 0.00 C ATOM 523 O HIS A 38 -3.909 1.481 -2.458 1.00 0.00 O ATOM 524 CB HIS A 38 -3.341 2.026 0.438 1.00 0.00 C ATOM 525 CG HIS A 38 -4.822 1.807 0.485 1.00 0.00 C ATOM 526 ND1 HIS A 38 -5.407 0.757 1.161 1.00 0.00 N ATOM 527 CD2 HIS A 38 -5.839 2.511 -0.065 1.00 0.00 C ATOM 528 CE1 HIS A 38 -6.719 0.824 1.024 1.00 0.00 C ATOM 529 NE2 HIS A 38 -7.007 1.880 0.285 1.00 0.00 N ATOM 0 H HIS A 38 -1.404 2.672 -1.055 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.346 0.156 0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.936 1.933 1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.143 3.046 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.748 3.403 -0.667 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.434 0.133 1.445 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.945 2.178 0.018 1.00 0.00 H new ATOM 537 N CYS A 39 -3.846 -0.639 -1.706 1.00 0.00 N ATOM 538 CA CYS A 39 -4.707 -1.155 -2.763 1.00 0.00 C ATOM 539 C CYS A 39 -6.049 -0.430 -2.775 1.00 0.00 C ATOM 540 O CYS A 39 -6.579 -0.067 -1.725 1.00 0.00 O ATOM 541 CB CYS A 39 -4.929 -2.658 -2.579 1.00 0.00 C ATOM 542 SG CYS A 39 -5.746 -3.467 -3.992 1.00 0.00 S ATOM 0 H CYS A 39 -3.530 -1.342 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.212 -0.981 -3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.966 -3.138 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.531 -2.819 -1.684 1.00 0.00 H new ATOM 547 N GLN A 40 -6.592 -0.222 -3.970 1.00 0.00 N ATOM 548 CA GLN A 40 -7.872 0.461 -4.119 1.00 0.00 C ATOM 549 C GLN A 40 -8.998 -0.539 -4.357 1.00 0.00 C ATOM 550 O GLN A 40 -10.112 -0.365 -3.862 1.00 0.00 O ATOM 551 CB GLN A 40 -7.809 1.461 -5.274 1.00 0.00 C ATOM 552 CG GLN A 40 -6.509 2.248 -5.328 1.00 0.00 C ATOM 553 CD GLN A 40 -6.555 3.382 -6.332 1.00 0.00 C ATOM 554 OE1 GLN A 40 -6.662 3.156 -7.538 1.00 0.00 O ATOM 555 NE2 GLN A 40 -6.474 4.613 -5.840 1.00 0.00 N ATOM 0 H GLN A 40 -6.166 -0.516 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.078 0.999 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.939 0.926 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.642 2.158 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.292 2.652 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.691 1.574 -5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.386 4.755 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.500 5.416 -6.468 1.00 0.00 H new ATOM 564 N ASP A 41 -8.701 -1.587 -5.118 1.00 0.00 N ATOM 565 CA ASP A 41 -9.688 -2.616 -5.422 1.00 0.00 C ATOM 566 C ASP A 41 -10.149 -3.320 -4.150 1.00 0.00 C ATOM 567 O ASP A 41 -11.347 -3.430 -3.887 1.00 0.00 O ATOM 568 CB ASP A 41 -9.108 -3.636 -6.403 1.00 0.00 C ATOM 569 CG ASP A 41 -9.348 -3.251 -7.849 1.00 0.00 C ATOM 570 OD1 ASP A 41 -9.327 -2.040 -8.151 1.00 0.00 O ATOM 571 OD2 ASP A 41 -9.558 -4.161 -8.679 1.00 0.00 O ATOM 0 H ASP A 41 -7.784 -1.746 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.550 -2.133 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.036 -3.734 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.552 -4.613 -6.212 1.00 0.00 H new ATOM 576 N CYS A 42 -9.190 -3.797 -3.363 1.00 0.00 N ATOM 577 CA CYS A 42 -9.495 -4.492 -2.119 1.00 0.00 C ATOM 578 C CYS A 42 -10.483 -3.689 -1.276 1.00 0.00 C ATOM 579 O CYS A 42 -10.534 -2.461 -1.337 1.00 0.00 O ATOM 580 CB CYS A 42 -8.214 -4.743 -1.322 1.00 0.00 C ATOM 581 SG CYS A 42 -7.203 -6.120 -1.954 1.00 0.00 S ATOM 0 H CYS A 42 -8.194 -3.714 -3.566 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.951 -5.450 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.613 -3.834 -1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.478 -4.947 -0.284 1.00 0.00 H new ATOM 586 N PRO A 43 -11.285 -4.399 -0.469 1.00 0.00 N ATOM 587 CA PRO A 43 -12.285 -3.774 0.402 1.00 0.00 C ATOM 588 C PRO A 43 -11.649 -3.001 1.553 1.00 0.00 C ATOM 589 O PRO A 43 -10.448 -3.097 1.808 1.00 0.00 O ATOM 590 CB PRO A 43 -13.084 -4.966 0.936 1.00 0.00 C ATOM 591 CG PRO A 43 -12.144 -6.118 0.859 1.00 0.00 C ATOM 592 CD PRO A 43 -11.278 -5.867 -0.345 1.00 0.00 C ATOM 0 HA PRO A 43 -12.890 -3.042 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.415 -4.793 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.977 -5.144 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.542 -6.191 1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.686 -7.058 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.269 -6.254 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.680 -6.348 -1.237 1.00 0.00 H new ATOM 600 N PRO A 44 -12.471 -2.216 2.265 1.00 0.00 N ATOM 601 CA PRO A 44 -12.010 -1.412 3.401 1.00 0.00 C ATOM 602 C PRO A 44 -11.630 -2.271 4.602 1.00 0.00 C ATOM 603 O PRO A 44 -11.100 -1.768 5.592 1.00 0.00 O ATOM 604 CB PRO A 44 -13.222 -0.538 3.731 1.00 0.00 C ATOM 605 CG PRO A 44 -14.394 -1.311 3.232 1.00 0.00 C ATOM 606 CD PRO A 44 -13.913 -2.054 2.017 1.00 0.00 C ATOM 0 HA PRO A 44 -11.111 -0.845 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.297 -0.353 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.153 0.435 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.759 -2.001 3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.221 -0.647 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.413 -3.017 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.103 -1.493 1.102 1.00 0.00 H new ATOM 614 N GLU A 45 -11.903 -3.568 4.507 1.00 0.00 N ATOM 615 CA GLU A 45 -11.589 -4.496 5.588 1.00 0.00 C ATOM 616 C GLU A 45 -10.366 -5.341 5.241 1.00 0.00 C ATOM 617 O GLU A 45 -9.629 -5.776 6.125 1.00 0.00 O ATOM 618 CB GLU A 45 -12.786 -5.404 5.875 1.00 0.00 C ATOM 619 CG GLU A 45 -13.200 -6.258 4.688 1.00 0.00 C ATOM 620 CD GLU A 45 -13.925 -7.523 5.104 1.00 0.00 C ATOM 621 OE1 GLU A 45 -13.529 -8.126 6.123 1.00 0.00 O ATOM 622 OE2 GLU A 45 -14.888 -7.910 4.409 1.00 0.00 O ATOM 0 H GLU A 45 -12.341 -4.000 3.693 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.364 -3.912 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.544 -6.056 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.632 -4.789 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.845 -5.673 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.315 -6.524 4.110 1.00 0.00 H new ATOM 629 N MET A 46 -10.159 -5.568 3.948 1.00 0.00 N ATOM 630 CA MET A 46 -9.026 -6.361 3.484 1.00 0.00 C ATOM 631 C MET A 46 -8.007 -5.483 2.765 1.00 0.00 C ATOM 632 O MET A 46 -7.291 -5.946 1.877 1.00 0.00 O ATOM 633 CB MET A 46 -9.504 -7.476 2.553 1.00 0.00 C ATOM 634 CG MET A 46 -8.473 -8.572 2.338 1.00 0.00 C ATOM 635 SD MET A 46 -8.368 -9.710 3.732 1.00 0.00 S ATOM 636 CE MET A 46 -6.979 -10.726 3.236 1.00 0.00 C ATOM 0 H MET A 46 -10.760 -5.215 3.204 1.00 0.00 H new ATOM 0 HA MET A 46 -8.545 -6.807 4.355 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.411 -7.918 2.965 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.769 -7.044 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.725 -9.130 1.436 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.496 -8.119 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.789 -11.481 3.999 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.207 -11.216 2.289 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.095 -10.100 3.117 1.00 0.00 H new ATOM 646 N SER A 47 -7.947 -4.213 3.153 1.00 0.00 N ATOM 647 CA SER A 47 -7.019 -3.270 2.542 1.00 0.00 C ATOM 648 C SER A 47 -5.580 -3.761 2.674 1.00 0.00 C ATOM 649 O SER A 47 -5.140 -4.145 3.758 1.00 0.00 O ATOM 650 CB SER A 47 -7.160 -1.891 3.189 1.00 0.00 C ATOM 651 OG SER A 47 -6.789 -1.928 4.557 1.00 0.00 O ATOM 0 H SER A 47 -8.531 -3.814 3.888 1.00 0.00 H new ATOM 0 HA SER A 47 -7.263 -3.193 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.535 -1.172 2.659 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.190 -1.547 3.098 1.00 0.00 H new ATOM 0 HG SER A 47 -6.886 -1.034 4.947 1.00 0.00 H new ATOM 657 N LEU A 48 -4.853 -3.745 1.563 1.00 0.00 N ATOM 658 CA LEU A 48 -3.463 -4.189 1.552 1.00 0.00 C ATOM 659 C LEU A 48 -2.511 -2.997 1.540 1.00 0.00 C ATOM 660 O LEU A 48 -2.916 -1.870 1.256 1.00 0.00 O ATOM 661 CB LEU A 48 -3.200 -5.078 0.336 1.00 0.00 C ATOM 662 CG LEU A 48 -3.601 -6.547 0.479 1.00 0.00 C ATOM 663 CD1 LEU A 48 -3.023 -7.372 -0.660 1.00 0.00 C ATOM 664 CD2 LEU A 48 -3.144 -7.096 1.823 1.00 0.00 C ATOM 0 H LEU A 48 -5.202 -3.430 0.658 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.284 -4.765 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.732 -4.658 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.136 -5.034 0.102 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.688 -6.613 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.319 -8.414 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.400 -6.994 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.935 -7.300 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.438 -8.142 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.060 -7.016 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.607 -6.523 2.626 1.00 0.00 H new ATOM 676 N ASP A 49 -1.245 -3.255 1.848 1.00 0.00 N ATOM 677 CA ASP A 49 -0.234 -2.204 1.869 1.00 0.00 C ATOM 678 C ASP A 49 1.097 -2.718 1.328 1.00 0.00 C ATOM 679 O ASP A 49 1.610 -3.740 1.784 1.00 0.00 O ATOM 680 CB ASP A 49 -0.049 -1.673 3.291 1.00 0.00 C ATOM 681 CG ASP A 49 -1.351 -1.633 4.068 1.00 0.00 C ATOM 682 OD1 ASP A 49 -2.055 -0.605 3.992 1.00 0.00 O ATOM 683 OD2 ASP A 49 -1.664 -2.630 4.753 1.00 0.00 O ATOM 0 H ASP A 49 -0.894 -4.183 2.087 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.577 -1.392 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.667 -2.301 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.377 -0.670 3.249 1.00 0.00 H new ATOM 688 N PHE A 50 1.649 -2.004 0.353 1.00 0.00 N ATOM 689 CA PHE A 50 2.919 -2.390 -0.252 1.00 0.00 C ATOM 690 C PHE A 50 3.910 -1.230 -0.222 1.00 0.00 C ATOM 691 O PHE A 50 3.623 -0.140 -0.719 1.00 0.00 O ATOM 692 CB PHE A 50 2.701 -2.853 -1.694 1.00 0.00 C ATOM 693 CG PHE A 50 1.692 -3.958 -1.823 1.00 0.00 C ATOM 694 CD1 PHE A 50 2.053 -5.275 -1.589 1.00 0.00 C ATOM 695 CD2 PHE A 50 0.382 -3.679 -2.177 1.00 0.00 C ATOM 696 CE1 PHE A 50 1.126 -6.293 -1.708 1.00 0.00 C ATOM 697 CE2 PHE A 50 -0.550 -4.693 -2.297 1.00 0.00 C ATOM 698 CZ PHE A 50 -0.177 -6.002 -2.061 1.00 0.00 C ATOM 0 H PHE A 50 1.237 -1.155 -0.035 1.00 0.00 H new ATOM 0 HA PHE A 50 3.334 -3.214 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.376 -2.003 -2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.652 -3.190 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.070 -5.509 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.085 -2.657 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.420 -7.316 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.568 -4.462 -2.575 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.903 -6.796 -2.152 1.00 0.00 H new ATOM 708 N CYS A 51 5.077 -1.472 0.364 1.00 0.00 N ATOM 709 CA CYS A 51 6.112 -0.449 0.461 1.00 0.00 C ATOM 710 C CYS A 51 6.638 -0.076 -0.922 1.00 0.00 C ATOM 711 O CYS A 51 6.737 -0.923 -1.809 1.00 0.00 O ATOM 712 CB CYS A 51 7.262 -0.939 1.342 1.00 0.00 C ATOM 713 SG CYS A 51 8.126 -2.405 0.690 1.00 0.00 S ATOM 0 H CYS A 51 5.330 -2.368 0.779 1.00 0.00 H new ATOM 0 HA CYS A 51 5.670 0.439 0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.982 -0.130 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.873 -1.171 2.333 1.00 0.00 H new ATOM 718 N ASP A 52 6.976 1.197 -1.096 1.00 0.00 N ATOM 719 CA ASP A 52 7.494 1.683 -2.370 1.00 0.00 C ATOM 720 C ASP A 52 8.362 0.624 -3.043 1.00 0.00 C ATOM 721 O ASP A 52 8.404 0.529 -4.269 1.00 0.00 O ATOM 722 CB ASP A 52 8.301 2.965 -2.161 1.00 0.00 C ATOM 723 CG ASP A 52 9.336 3.182 -3.248 1.00 0.00 C ATOM 724 OD1 ASP A 52 8.954 3.632 -4.348 1.00 0.00 O ATOM 725 OD2 ASP A 52 10.527 2.900 -2.999 1.00 0.00 O ATOM 0 H ASP A 52 6.901 1.911 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 52 6.646 1.899 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.622 3.818 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.799 2.923 -1.192 1.00 0.00 H new ATOM 730 N SER A 53 9.055 -0.169 -2.231 1.00 0.00 N ATOM 731 CA SER A 53 9.927 -1.217 -2.748 1.00 0.00 C ATOM 732 C SER A 53 9.113 -2.315 -3.426 1.00 0.00 C ATOM 733 O SER A 53 9.436 -2.752 -4.531 1.00 0.00 O ATOM 734 CB SER A 53 10.767 -1.814 -1.618 1.00 0.00 C ATOM 735 OG SER A 53 11.994 -1.119 -1.473 1.00 0.00 O ATOM 0 H SER A 53 9.029 -0.105 -1.213 1.00 0.00 H new ATOM 0 HA SER A 53 10.591 -0.771 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.208 -1.771 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.963 -2.866 -1.823 1.00 0.00 H new ATOM 0 HG SER A 53 12.512 -1.519 -0.743 1.00 0.00 H new ATOM 741 N CYS A 54 8.054 -2.757 -2.756 1.00 0.00 N ATOM 742 CA CYS A 54 7.192 -3.804 -3.291 1.00 0.00 C ATOM 743 C CYS A 54 6.051 -3.205 -4.107 1.00 0.00 C ATOM 744 O CYS A 54 5.021 -3.846 -4.317 1.00 0.00 O ATOM 745 CB CYS A 54 6.627 -4.659 -2.155 1.00 0.00 C ATOM 746 SG CYS A 54 7.895 -5.527 -1.175 1.00 0.00 S ATOM 0 H CYS A 54 7.772 -2.406 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 54 7.793 -4.434 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.043 -4.022 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.941 -5.395 -2.575 1.00 0.00 H new ATOM 751 N SER A 55 6.242 -1.972 -4.565 1.00 0.00 N ATOM 752 CA SER A 55 5.228 -1.284 -5.356 1.00 0.00 C ATOM 753 C SER A 55 5.146 -1.869 -6.762 1.00 0.00 C ATOM 754 O SER A 55 4.070 -1.940 -7.356 1.00 0.00 O ATOM 755 CB SER A 55 5.537 0.212 -5.430 1.00 0.00 C ATOM 756 OG SER A 55 6.736 0.450 -6.148 1.00 0.00 O ATOM 0 H SER A 55 7.090 -1.429 -4.402 1.00 0.00 H new ATOM 0 HA SER A 55 4.264 -1.424 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.711 0.734 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.626 0.619 -4.423 1.00 0.00 H new ATOM 0 HG SER A 55 7.505 0.225 -5.584 1.00 0.00 H new ATOM 762 N ASP A 56 6.292 -2.287 -7.289 1.00 0.00 N ATOM 763 CA ASP A 56 6.352 -2.867 -8.626 1.00 0.00 C ATOM 764 C ASP A 56 6.187 -4.383 -8.569 1.00 0.00 C ATOM 765 O ASP A 56 6.359 -5.074 -9.573 1.00 0.00 O ATOM 766 CB ASP A 56 7.678 -2.512 -9.300 1.00 0.00 C ATOM 767 CG ASP A 56 7.675 -1.110 -9.879 1.00 0.00 C ATOM 768 OD1 ASP A 56 6.585 -0.619 -10.237 1.00 0.00 O ATOM 769 OD2 ASP A 56 8.764 -0.506 -9.975 1.00 0.00 O ATOM 0 H ASP A 56 7.192 -2.235 -6.811 1.00 0.00 H new ATOM 0 HA ASP A 56 5.532 -2.452 -9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.487 -2.601 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.882 -3.230 -10.094 1.00 0.00 H new ATOM 774 N CYS A 57 5.853 -4.892 -7.388 1.00 0.00 N ATOM 775 CA CYS A 57 5.667 -6.326 -7.199 1.00 0.00 C ATOM 776 C CYS A 57 4.220 -6.726 -7.468 1.00 0.00 C ATOM 777 O CYS A 57 3.315 -5.892 -7.423 1.00 0.00 O ATOM 778 CB CYS A 57 6.064 -6.731 -5.779 1.00 0.00 C ATOM 779 SG CYS A 57 7.824 -7.095 -5.580 1.00 0.00 S ATOM 0 H CYS A 57 5.706 -4.333 -6.548 1.00 0.00 H new ATOM 0 HA CYS A 57 6.308 -6.847 -7.910 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.790 -5.929 -5.094 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.487 -7.609 -5.488 1.00 0.00 H new ATOM 0 HG CYS A 57 8.062 -7.426 -4.345 1.00 0.00 H new ATOM 785 N LEU A 58 4.008 -8.007 -7.751 1.00 0.00 N ATOM 786 CA LEU A 58 2.671 -8.519 -8.030 1.00 0.00 C ATOM 787 C LEU A 58 2.283 -9.602 -7.028 1.00 0.00 C ATOM 788 O LEU A 58 2.893 -10.671 -6.987 1.00 0.00 O ATOM 789 CB LEU A 58 2.603 -9.075 -9.453 1.00 0.00 C ATOM 790 CG LEU A 58 1.244 -8.977 -10.148 1.00 0.00 C ATOM 791 CD1 LEU A 58 0.892 -7.524 -10.428 1.00 0.00 C ATOM 792 CD2 LEU A 58 1.245 -9.786 -11.437 1.00 0.00 C ATOM 0 H LEU A 58 4.746 -8.710 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 58 1.965 -7.694 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.339 -8.550 -10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.900 -10.123 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 58 0.486 -9.391 -9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.078 -7.473 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.850 -6.972 -9.489 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.652 -7.083 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.270 -9.705 -11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.014 -9.401 -12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.452 -10.832 -11.210 1.00 0.00 H new ATOM 804 N HIS A 59 1.262 -9.319 -6.224 1.00 0.00 N ATOM 805 CA HIS A 59 0.790 -10.271 -5.225 1.00 0.00 C ATOM 806 C HIS A 59 -0.708 -10.518 -5.375 1.00 0.00 C ATOM 807 O HIS A 59 -1.499 -9.577 -5.419 1.00 0.00 O ATOM 808 CB HIS A 59 1.097 -9.758 -3.817 1.00 0.00 C ATOM 809 CG HIS A 59 1.066 -10.829 -2.770 1.00 0.00 C ATOM 810 ND1 HIS A 59 0.105 -11.169 -1.880 1.00 0.00 N flip ATOM 811 CD2 HIS A 59 2.116 -11.696 -2.550 1.00 0.00 C flip ATOM 812 CE1 HIS A 59 0.586 -12.225 -1.145 1.00 0.00 C flip ATOM 813 NE2 HIS A 59 1.801 -12.524 -1.570 1.00 0.00 N flip ATOM 0 H HIS A 59 0.747 -8.439 -6.245 1.00 0.00 H new ATOM 0 HA HIS A 59 1.313 -11.215 -5.382 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.081 -9.289 -3.816 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.375 -8.984 -3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.049 -11.698 -3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.057 -12.729 -0.349 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.395 -13.268 -1.204 1.00 0.00 H new ATOM 821 N GLU A 60 -1.088 -11.789 -5.453 1.00 0.00 N ATOM 822 CA GLU A 60 -2.492 -12.158 -5.599 1.00 0.00 C ATOM 823 C GLU A 60 -2.939 -13.062 -4.454 1.00 0.00 C ATOM 824 O GLU A 60 -2.371 -14.131 -4.232 1.00 0.00 O ATOM 825 CB GLU A 60 -2.719 -12.863 -6.938 1.00 0.00 C ATOM 826 CG GLU A 60 -2.633 -11.934 -8.137 1.00 0.00 C ATOM 827 CD GLU A 60 -3.513 -12.383 -9.288 1.00 0.00 C ATOM 828 OE1 GLU A 60 -4.713 -12.638 -9.053 1.00 0.00 O ATOM 829 OE2 GLU A 60 -3.001 -12.479 -10.423 1.00 0.00 O ATOM 0 H GLU A 60 -0.445 -12.580 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.086 -11.245 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.981 -13.657 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.700 -13.339 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.923 -10.928 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.598 -11.879 -8.476 1.00 0.00 H new ATOM 836 N THR A 61 -3.962 -12.623 -3.727 1.00 0.00 N ATOM 837 CA THR A 61 -4.486 -13.390 -2.603 1.00 0.00 C ATOM 838 C THR A 61 -5.961 -13.717 -2.801 1.00 0.00 C ATOM 839 O THR A 61 -6.539 -13.416 -3.845 1.00 0.00 O ATOM 840 CB THR A 61 -4.314 -12.629 -1.275 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.183 -11.491 -1.246 1.00 0.00 O ATOM 842 CG2 THR A 61 -2.872 -12.176 -1.093 1.00 0.00 C ATOM 0 H THR A 61 -4.444 -11.740 -3.896 1.00 0.00 H new ATOM 0 HA THR A 61 -3.914 -14.317 -2.559 1.00 0.00 H new ATOM 0 HB THR A 61 -4.572 -13.304 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.069 -11.014 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.775 -11.641 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.215 -13.046 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.592 -11.516 -1.914 1.00 0.00 H new ATOM 850 N ASP A 62 -6.566 -14.334 -1.792 1.00 0.00 N ATOM 851 CA ASP A 62 -7.976 -14.701 -1.854 1.00 0.00 C ATOM 852 C ASP A 62 -8.803 -13.577 -2.470 1.00 0.00 C ATOM 853 O ASP A 62 -9.635 -13.814 -3.346 1.00 0.00 O ATOM 854 CB ASP A 62 -8.501 -15.030 -0.456 1.00 0.00 C ATOM 855 CG ASP A 62 -7.740 -16.168 0.195 1.00 0.00 C ATOM 856 OD1 ASP A 62 -8.055 -17.340 -0.101 1.00 0.00 O ATOM 857 OD2 ASP A 62 -6.829 -15.887 1.001 1.00 0.00 O ATOM 0 H ASP A 62 -6.102 -14.591 -0.921 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.069 -15.584 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.431 -14.143 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.557 -15.293 -0.520 1.00 0.00 H new ATOM 862 N ILE A 63 -8.568 -12.354 -2.006 1.00 0.00 N ATOM 863 CA ILE A 63 -9.291 -11.194 -2.512 1.00 0.00 C ATOM 864 C ILE A 63 -8.421 -10.372 -3.457 1.00 0.00 C ATOM 865 O ILE A 63 -8.805 -10.101 -4.594 1.00 0.00 O ATOM 866 CB ILE A 63 -9.779 -10.290 -1.364 1.00 0.00 C ATOM 867 CG1 ILE A 63 -10.428 -11.132 -0.264 1.00 0.00 C ATOM 868 CG2 ILE A 63 -10.756 -9.249 -1.889 1.00 0.00 C ATOM 869 CD1 ILE A 63 -10.821 -10.331 0.958 1.00 0.00 C ATOM 0 H ILE A 63 -7.883 -12.141 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.155 -11.574 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.920 -9.771 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.314 -11.622 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.737 -11.920 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.092 -8.618 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.262 -8.633 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.615 -9.749 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.275 -10.992 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.935 -9.863 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.537 -9.560 0.673 1.00 0.00 H new ATOM 881 N HIS A 64 -7.244 -9.980 -2.978 1.00 0.00 N ATOM 882 CA HIS A 64 -6.317 -9.191 -3.780 1.00 0.00 C ATOM 883 C HIS A 64 -5.967 -9.916 -5.076 1.00 0.00 C ATOM 884 O HIS A 64 -5.975 -11.146 -5.134 1.00 0.00 O ATOM 885 CB HIS A 64 -5.044 -8.898 -2.986 1.00 0.00 C ATOM 886 CG HIS A 64 -4.135 -7.912 -3.653 1.00 0.00 C ATOM 887 ND1 HIS A 64 -4.591 -6.763 -4.264 1.00 0.00 N ATOM 888 CD2 HIS A 64 -2.790 -7.907 -3.801 1.00 0.00 C ATOM 889 CE1 HIS A 64 -3.565 -6.095 -4.761 1.00 0.00 C ATOM 890 NE2 HIS A 64 -2.460 -6.767 -4.493 1.00 0.00 N ATOM 0 H HIS A 64 -6.910 -10.196 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 64 -6.804 -8.249 -4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.319 -8.518 -2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.502 -9.830 -2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.103 -8.659 -3.442 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.621 -5.158 -5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.516 -6.486 -4.757 1.00 0.00 H new ATOM 898 N LYS A 65 -5.661 -9.146 -6.115 1.00 0.00 N ATOM 899 CA LYS A 65 -5.307 -9.714 -7.411 1.00 0.00 C ATOM 900 C LYS A 65 -4.335 -8.805 -8.156 1.00 0.00 C ATOM 901 O LYS A 65 -3.944 -7.754 -7.651 1.00 0.00 O ATOM 902 CB LYS A 65 -6.565 -9.935 -8.254 1.00 0.00 C ATOM 903 CG LYS A 65 -7.545 -10.919 -7.639 1.00 0.00 C ATOM 904 CD LYS A 65 -6.982 -12.330 -7.624 1.00 0.00 C ATOM 905 CE LYS A 65 -7.861 -13.272 -6.816 1.00 0.00 C ATOM 906 NZ LYS A 65 -7.677 -14.692 -7.225 1.00 0.00 N ATOM 0 H LYS A 65 -5.651 -8.126 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.819 -10.674 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.067 -8.979 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.272 -10.295 -9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.782 -10.610 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.478 -10.905 -8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.895 -12.699 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.977 -12.317 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.628 -13.166 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.906 -12.991 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.294 -15.301 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.924 -14.799 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.685 -14.969 -7.081 1.00 0.00 H new ATOM 920 N GLU A 66 -3.952 -9.217 -9.361 1.00 0.00 N ATOM 921 CA GLU A 66 -3.026 -8.438 -10.175 1.00 0.00 C ATOM 922 C GLU A 66 -3.749 -7.289 -10.871 1.00 0.00 C ATOM 923 O GLU A 66 -3.159 -6.242 -11.139 1.00 0.00 O ATOM 924 CB GLU A 66 -2.349 -9.334 -11.214 1.00 0.00 C ATOM 925 CG GLU A 66 -3.325 -10.035 -12.143 1.00 0.00 C ATOM 926 CD GLU A 66 -2.638 -10.690 -13.325 1.00 0.00 C ATOM 927 OE1 GLU A 66 -1.551 -10.216 -13.716 1.00 0.00 O ATOM 928 OE2 GLU A 66 -3.188 -11.676 -13.860 1.00 0.00 O ATOM 0 H GLU A 66 -4.268 -10.085 -9.794 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.265 -8.019 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.663 -8.731 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.749 -10.084 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.875 -10.791 -11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.056 -9.313 -12.507 1.00 0.00 H new ATOM 935 N ASP A 67 -5.029 -7.493 -11.163 1.00 0.00 N ATOM 936 CA ASP A 67 -5.833 -6.475 -11.828 1.00 0.00 C ATOM 937 C ASP A 67 -6.120 -5.308 -10.887 1.00 0.00 C ATOM 938 O ASP A 67 -6.370 -4.187 -11.330 1.00 0.00 O ATOM 939 CB ASP A 67 -7.147 -7.078 -12.327 1.00 0.00 C ATOM 940 CG ASP A 67 -6.966 -8.473 -12.892 1.00 0.00 C ATOM 941 OD1 ASP A 67 -6.600 -9.383 -12.120 1.00 0.00 O ATOM 942 OD2 ASP A 67 -7.189 -8.654 -14.108 1.00 0.00 O ATOM 0 H ASP A 67 -5.532 -8.354 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.267 -6.100 -12.681 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.863 -7.112 -11.506 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.572 -6.431 -13.094 1.00 0.00 H new ATOM 947 N HIS A 68 -6.082 -5.580 -9.587 1.00 0.00 N ATOM 948 CA HIS A 68 -6.338 -4.553 -8.583 1.00 0.00 C ATOM 949 C HIS A 68 -5.398 -3.366 -8.768 1.00 0.00 C ATOM 950 O HIS A 68 -4.359 -3.482 -9.418 1.00 0.00 O ATOM 951 CB HIS A 68 -6.176 -5.133 -7.177 1.00 0.00 C ATOM 952 CG HIS A 68 -7.325 -5.992 -6.747 1.00 0.00 C ATOM 953 ND1 HIS A 68 -7.799 -6.022 -5.452 1.00 0.00 N ATOM 954 CD2 HIS A 68 -8.098 -6.853 -7.449 1.00 0.00 C ATOM 955 CE1 HIS A 68 -8.812 -6.867 -5.376 1.00 0.00 C ATOM 956 NE2 HIS A 68 -9.014 -7.384 -6.575 1.00 0.00 N ATOM 0 H HIS A 68 -5.876 -6.503 -9.204 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.363 -4.205 -8.708 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.259 -5.721 -7.139 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.059 -4.315 -6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.011 -7.080 -8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.378 -7.096 -4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.734 -8.067 -6.813 1.00 0.00 H new ATOM 964 N GLN A 69 -5.770 -2.227 -8.193 1.00 0.00 N ATOM 965 CA GLN A 69 -4.960 -1.019 -8.297 1.00 0.00 C ATOM 966 C GLN A 69 -4.315 -0.679 -6.957 1.00 0.00 C ATOM 967 O GLN A 69 -4.708 -1.207 -5.916 1.00 0.00 O ATOM 968 CB GLN A 69 -5.815 0.154 -8.777 1.00 0.00 C ATOM 969 CG GLN A 69 -5.863 0.293 -10.290 1.00 0.00 C ATOM 970 CD GLN A 69 -6.992 -0.504 -10.914 1.00 0.00 C ATOM 971 OE1 GLN A 69 -6.925 -1.730 -11.006 1.00 0.00 O ATOM 972 NE2 GLN A 69 -8.039 0.190 -11.346 1.00 0.00 N ATOM 0 H GLN A 69 -6.627 -2.115 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.169 -1.204 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.830 0.031 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.425 1.077 -8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.979 1.345 -10.551 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -4.914 -0.038 -10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.053 1.205 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.829 -0.292 -11.774 1.00 0.00 H new ATOM 981 N LEU A 70 -3.324 0.204 -6.991 1.00 0.00 N ATOM 982 CA LEU A 70 -2.624 0.615 -5.779 1.00 0.00 C ATOM 983 C LEU A 70 -2.564 2.135 -5.673 1.00 0.00 C ATOM 984 O LEU A 70 -2.480 2.834 -6.683 1.00 0.00 O ATOM 985 CB LEU A 70 -1.208 0.035 -5.762 1.00 0.00 C ATOM 986 CG LEU A 70 -1.106 -1.489 -5.841 1.00 0.00 C ATOM 987 CD1 LEU A 70 0.350 -1.927 -5.840 1.00 0.00 C ATOM 988 CD2 LEU A 70 -1.860 -2.134 -4.687 1.00 0.00 C ATOM 0 H LEU A 70 -2.987 0.649 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.178 0.231 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.653 0.460 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.712 0.366 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.562 -1.817 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.403 -3.014 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.861 -1.494 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.831 -1.588 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.777 -3.218 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.433 -1.799 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.910 -1.847 -4.733 1.00 0.00 H new ATOM 1000 N GLU A 71 -2.605 2.640 -4.444 1.00 0.00 N ATOM 1001 CA GLU A 71 -2.554 4.078 -4.207 1.00 0.00 C ATOM 1002 C GLU A 71 -1.273 4.464 -3.474 1.00 0.00 C ATOM 1003 O GLU A 71 -1.038 4.067 -2.332 1.00 0.00 O ATOM 1004 CB GLU A 71 -3.773 4.528 -3.399 1.00 0.00 C ATOM 1005 CG GLU A 71 -3.756 6.005 -3.044 1.00 0.00 C ATOM 1006 CD GLU A 71 -5.116 6.516 -2.608 1.00 0.00 C ATOM 1007 OE1 GLU A 71 -5.467 6.336 -1.424 1.00 0.00 O ATOM 1008 OE2 GLU A 71 -5.829 7.097 -3.454 1.00 0.00 O ATOM 0 H GLU A 71 -2.673 2.075 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.563 4.580 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.676 4.310 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.826 3.943 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.035 6.174 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.416 6.578 -3.906 1.00 0.00 H new ATOM 1015 N PRO A 72 -0.424 5.257 -4.144 1.00 0.00 N ATOM 1016 CA PRO A 72 0.848 5.714 -3.576 1.00 0.00 C ATOM 1017 C PRO A 72 0.650 6.717 -2.445 1.00 0.00 C ATOM 1018 O PRO A 72 0.392 7.896 -2.687 1.00 0.00 O ATOM 1019 CB PRO A 72 1.549 6.378 -4.764 1.00 0.00 C ATOM 1020 CG PRO A 72 0.442 6.800 -5.668 1.00 0.00 C ATOM 1021 CD PRO A 72 -0.640 5.768 -5.508 1.00 0.00 C ATOM 0 HA PRO A 72 1.415 4.895 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.147 7.232 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.225 5.684 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.077 7.792 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.781 6.852 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.632 6.205 -5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.554 4.976 -6.252 1.00 0.00 H new ATOM 1029 N ILE A 73 0.774 6.241 -1.210 1.00 0.00 N ATOM 1030 CA ILE A 73 0.610 7.098 -0.042 1.00 0.00 C ATOM 1031 C ILE A 73 1.954 7.634 0.439 1.00 0.00 C ATOM 1032 O ILE A 73 2.688 6.949 1.152 1.00 0.00 O ATOM 1033 CB ILE A 73 -0.075 6.347 1.115 1.00 0.00 C ATOM 1034 CG1 ILE A 73 -1.375 5.700 0.634 1.00 0.00 C ATOM 1035 CG2 ILE A 73 -0.346 7.294 2.274 1.00 0.00 C ATOM 1036 CD1 ILE A 73 -2.005 4.778 1.654 1.00 0.00 C ATOM 0 H ILE A 73 0.987 5.267 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.022 7.932 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 73 0.593 5.559 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.087 6.484 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.175 5.137 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.830 6.749 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.596 7.712 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.998 8.101 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.923 4.355 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.311 3.973 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.237 5.340 2.559 1.00 0.00 H new ATOM 1048 N TYR A 74 2.269 8.863 0.046 1.00 0.00 N ATOM 1049 CA TYR A 74 3.526 9.491 0.436 1.00 0.00 C ATOM 1050 C TYR A 74 3.560 9.752 1.939 1.00 0.00 C ATOM 1051 O TYR A 74 4.518 9.388 2.621 1.00 0.00 O ATOM 1052 CB TYR A 74 3.722 10.804 -0.325 1.00 0.00 C ATOM 1053 CG TYR A 74 4.101 10.611 -1.776 1.00 0.00 C ATOM 1054 CD1 TYR A 74 3.339 9.805 -2.613 1.00 0.00 C ATOM 1055 CD2 TYR A 74 5.223 11.234 -2.310 1.00 0.00 C ATOM 1056 CE1 TYR A 74 3.682 9.626 -3.939 1.00 0.00 C ATOM 1057 CE2 TYR A 74 5.572 11.061 -3.635 1.00 0.00 C ATOM 1058 CZ TYR A 74 4.799 10.256 -4.445 1.00 0.00 C ATOM 1059 OH TYR A 74 5.145 10.080 -5.766 1.00 0.00 O ATOM 0 H TYR A 74 1.672 9.444 -0.542 1.00 0.00 H new ATOM 0 HA TYR A 74 4.338 8.808 0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.802 11.386 -0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.497 11.389 0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.463 9.310 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.832 11.864 -1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.079 8.996 -4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.446 11.554 -4.035 1.00 0.00 H new ATOM 0 HH TYR A 74 5.956 10.593 -5.963 1.00 0.00 H new ATOM 1069 N ARG A 75 2.508 10.385 2.447 1.00 0.00 N ATOM 1070 CA ARG A 75 2.417 10.696 3.869 1.00 0.00 C ATOM 1071 C ARG A 75 1.277 9.920 4.523 1.00 0.00 C ATOM 1072 O ARG A 75 0.304 9.553 3.864 1.00 0.00 O ATOM 1073 CB ARG A 75 2.208 12.198 4.072 1.00 0.00 C ATOM 1074 CG ARG A 75 3.425 13.036 3.716 1.00 0.00 C ATOM 1075 CD ARG A 75 3.039 14.470 3.392 1.00 0.00 C ATOM 1076 NE ARG A 75 4.208 15.307 3.133 1.00 0.00 N ATOM 1077 CZ ARG A 75 4.936 15.869 4.091 1.00 0.00 C ATOM 1078 NH1 ARG A 75 4.617 15.685 5.365 1.00 0.00 N ATOM 1079 NH2 ARG A 75 5.985 16.617 3.776 1.00 0.00 N ATOM 0 H ARG A 75 1.707 10.693 1.896 1.00 0.00 H new ATOM 0 HA ARG A 75 3.354 10.399 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.363 12.524 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.943 12.382 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.130 13.027 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.935 12.593 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.385 14.481 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.470 14.889 4.222 1.00 0.00 H new ATOM 0 HE ARG A 75 4.480 15.469 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.811 15.111 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.178 16.118 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.233 16.761 2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.543 17.048 4.513 1.00 0.00 H new ATOM 1093 N SER A 76 1.406 9.674 5.823 1.00 0.00 N ATOM 1094 CA SER A 76 0.389 8.938 6.565 1.00 0.00 C ATOM 1095 C SER A 76 -0.911 9.733 6.641 1.00 0.00 C ATOM 1096 O SER A 76 -0.927 10.875 7.100 1.00 0.00 O ATOM 1097 CB SER A 76 0.888 8.619 7.976 1.00 0.00 C ATOM 1098 OG SER A 76 1.205 9.805 8.684 1.00 0.00 O ATOM 0 H SER A 76 2.204 9.973 6.384 1.00 0.00 H new ATOM 0 HA SER A 76 0.193 8.005 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.124 8.061 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.769 7.980 7.918 1.00 0.00 H new ATOM 0 HG SER A 76 0.634 10.537 8.369 1.00 0.00 H new ATOM 1104 N SER A 77 -1.999 9.120 6.187 1.00 0.00 N ATOM 1105 CA SER A 77 -3.304 9.771 6.199 1.00 0.00 C ATOM 1106 C SER A 77 -4.132 9.306 7.393 1.00 0.00 C ATOM 1107 O SER A 77 -5.322 9.023 7.265 1.00 0.00 O ATOM 1108 CB SER A 77 -4.055 9.479 4.898 1.00 0.00 C ATOM 1109 OG SER A 77 -4.342 8.097 4.774 1.00 0.00 O ATOM 0 H SER A 77 -2.003 8.174 5.806 1.00 0.00 H new ATOM 0 HA SER A 77 -3.146 10.846 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.983 10.050 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.457 9.807 4.048 1.00 0.00 H new ATOM 0 HG SER A 77 -4.824 7.937 3.936 1.00 0.00 H new ATOM 1115 N GLY A 78 -3.492 9.230 8.556 1.00 0.00 N ATOM 1116 CA GLY A 78 -4.183 8.799 9.757 1.00 0.00 C ATOM 1117 C GLY A 78 -4.432 9.940 10.723 1.00 0.00 C ATOM 1118 O GLY A 78 -3.675 10.909 10.782 1.00 0.00 O ATOM 0 H GLY A 78 -2.507 9.459 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.135 8.346 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.595 8.028 10.254 1.00 0.00 H new ATOM 1122 N PRO A 79 -5.519 9.834 11.503 1.00 0.00 N ATOM 1123 CA PRO A 79 -5.891 10.857 12.485 1.00 0.00 C ATOM 1124 C PRO A 79 -4.928 10.905 13.666 1.00 0.00 C ATOM 1125 O PRO A 79 -5.097 11.706 14.585 1.00 0.00 O ATOM 1126 CB PRO A 79 -7.282 10.414 12.947 1.00 0.00 C ATOM 1127 CG PRO A 79 -7.311 8.944 12.707 1.00 0.00 C ATOM 1128 CD PRO A 79 -6.466 8.707 11.486 1.00 0.00 C ATOM 0 HA PRO A 79 -5.867 11.860 12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -7.442 10.646 14.000 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -8.066 10.922 12.386 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.917 8.401 13.566 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.331 8.594 12.549 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.950 7.748 11.534 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.067 8.701 10.577 1.00 0.00 H new ATOM 1136 N SER A 80 -3.918 10.041 13.635 1.00 0.00 N ATOM 1137 CA SER A 80 -2.929 9.983 14.705 1.00 0.00 C ATOM 1138 C SER A 80 -1.571 10.481 14.218 1.00 0.00 C ATOM 1139 O SER A 80 -1.308 10.522 13.016 1.00 0.00 O ATOM 1140 CB SER A 80 -2.801 8.553 15.234 1.00 0.00 C ATOM 1141 OG SER A 80 -2.478 7.651 14.190 1.00 0.00 O ATOM 0 H SER A 80 -3.763 9.372 12.881 1.00 0.00 H new ATOM 0 HA SER A 80 -3.266 10.632 15.513 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.030 8.514 16.004 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.737 8.250 15.704 1.00 0.00 H new ATOM 0 HG SER A 80 -2.400 6.744 14.554 1.00 0.00 H new ATOM 1147 N SER A 81 -0.713 10.858 15.161 1.00 0.00 N ATOM 1148 CA SER A 81 0.617 11.356 14.829 1.00 0.00 C ATOM 1149 C SER A 81 1.501 10.233 14.296 1.00 0.00 C ATOM 1150 O SER A 81 1.963 9.379 15.052 1.00 0.00 O ATOM 1151 CB SER A 81 1.267 11.993 16.058 1.00 0.00 C ATOM 1152 OG SER A 81 0.445 13.013 16.599 1.00 0.00 O ATOM 0 H SER A 81 -0.915 10.828 16.160 1.00 0.00 H new ATOM 0 HA SER A 81 0.511 12.111 14.050 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.449 11.229 16.814 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.237 12.409 15.786 1.00 0.00 H new ATOM 0 HG SER A 81 0.882 13.403 17.385 1.00 0.00 H new ATOM 1158 N GLY A 82 1.732 10.240 12.986 1.00 0.00 N ATOM 1159 CA GLY A 82 2.559 9.217 12.373 1.00 0.00 C ATOM 1160 C GLY A 82 3.974 9.695 12.114 1.00 0.00 C ATOM 1161 O GLY A 82 4.148 10.772 11.544 1.00 0.00 O ATOM 0 H GLY A 82 1.361 10.936 12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.587 8.341 13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.107 8.904 11.432 1.00 0.00 H new TER 1165 GLY A 82 HETATM 1166 ZN ZN A 201 7.510 -4.551 0.934 1.00 0.00 ZN HETATM 1167 ZN ZN A 401 -6.315 -5.670 -4.082 1.00 0.00 ZN