USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 4 MET CE :methyl -163:sc= -0.0509 (180deg=-0.382) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -100:sc= 0 USER MOD Single : A 10 THR OG1 : rot 4:sc= 0.654 USER MOD Single : A 16 MET CE :methyl 167:sc= -0.0234 (180deg=-0.278) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.985 K(o=0.98,f=-6.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 7:sc= -0.516 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -94:sc= 0.018 USER MOD Single : A 30 SER OG : rot 68:sc= 1.26 USER MOD Single : A 31 ASN : amide:sc=-0.00188 K(o=-0.0019,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0.485 (180deg=0.48) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -160:sc= -0.0357 (180deg=-0.656) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -1.05 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00184 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 133:sc= -1.77 USER MOD Single : A 59 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.71) USER MOD Single : A 60 GLN : amide:sc= -0.289 K(o=-0.29,f=-0.89) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.449 USER MOD Single : A 63 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 64 GLN : amide:sc= -2.51 K(o=-2.5,f=-3.4!) USER MOD Single : A 68 MET CE :methyl 164:sc= 0 (180deg=-0.238) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.708 -24.957 -4.906 1.00 0.00 N ATOM 2 CA ALA A 1 3.868 -23.942 -3.854 1.00 0.00 C ATOM 3 C ALA A 1 4.886 -22.905 -4.270 1.00 0.00 C ATOM 4 O ALA A 1 6.007 -23.243 -4.666 1.00 0.00 O ATOM 5 CB ALA A 1 4.280 -24.589 -2.541 1.00 0.00 C ATOM 0 H1 ALA A 1 3.005 -25.662 -4.604 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.386 -24.500 -5.783 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.620 -25.428 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 1 2.907 -23.448 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.393 -23.820 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.515 -25.301 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.228 -25.110 -2.674 1.00 0.00 H new ATOM 13 N GLY A 2 4.503 -21.650 -4.190 1.00 0.00 N ATOM 14 CA GLY A 2 5.398 -20.590 -4.547 1.00 0.00 C ATOM 15 C GLY A 2 5.311 -19.438 -3.590 1.00 0.00 C ATOM 16 O GLY A 2 4.251 -19.183 -3.008 1.00 0.00 O ATOM 0 H GLY A 2 3.579 -21.347 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.420 -20.969 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.167 -20.243 -5.554 1.00 0.00 H new ATOM 20 N HIS A 3 6.417 -18.753 -3.408 1.00 0.00 N ATOM 21 CA HIS A 3 6.463 -17.606 -2.528 1.00 0.00 C ATOM 22 C HIS A 3 5.713 -16.437 -3.150 1.00 0.00 C ATOM 23 O HIS A 3 5.825 -16.184 -4.355 1.00 0.00 O ATOM 24 CB HIS A 3 7.915 -17.216 -2.229 1.00 0.00 C ATOM 25 CG HIS A 3 8.057 -16.110 -1.225 1.00 0.00 C ATOM 26 ND1 HIS A 3 8.135 -14.777 -1.575 1.00 0.00 N ATOM 27 CD2 HIS A 3 8.130 -16.142 0.126 1.00 0.00 C ATOM 28 CE1 HIS A 3 8.249 -14.043 -0.485 1.00 0.00 C ATOM 29 NE2 HIS A 3 8.248 -14.844 0.559 1.00 0.00 N ATOM 0 H HIS A 3 7.304 -18.972 -3.862 1.00 0.00 H new ATOM 0 HA HIS A 3 5.979 -17.869 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.448 -18.094 -1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.397 -16.913 -3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.101 -17.024 0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.330 -12.966 -0.455 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.323 -14.549 1.532 1.00 0.00 H new ATOM 37 N MET A 4 4.944 -15.746 -2.344 1.00 0.00 N ATOM 38 CA MET A 4 4.202 -14.598 -2.808 1.00 0.00 C ATOM 39 C MET A 4 4.994 -13.341 -2.532 1.00 0.00 C ATOM 40 O MET A 4 5.124 -12.920 -1.379 1.00 0.00 O ATOM 41 CB MET A 4 2.849 -14.502 -2.097 1.00 0.00 C ATOM 42 CG MET A 4 1.951 -15.713 -2.276 1.00 0.00 C ATOM 43 SD MET A 4 0.339 -15.492 -1.489 1.00 0.00 S ATOM 44 CE MET A 4 0.812 -15.453 0.243 1.00 0.00 C ATOM 0 H MET A 4 4.815 -15.961 -1.355 1.00 0.00 H new ATOM 0 HA MET A 4 4.031 -14.708 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.024 -14.350 -1.032 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.324 -13.620 -2.463 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.811 -15.905 -3.340 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.441 -16.591 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.067 -15.625 0.864 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.551 -16.231 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.240 -14.479 0.482 1.00 0.00 H new ATOM 54 N GLN A 5 5.539 -12.749 -3.572 1.00 0.00 N ATOM 55 CA GLN A 5 6.287 -11.528 -3.414 1.00 0.00 C ATOM 56 C GLN A 5 5.332 -10.362 -3.279 1.00 0.00 C ATOM 57 O GLN A 5 4.551 -10.076 -4.183 1.00 0.00 O ATOM 58 CB GLN A 5 7.239 -11.318 -4.595 1.00 0.00 C ATOM 59 CG GLN A 5 8.068 -10.046 -4.504 1.00 0.00 C ATOM 60 CD GLN A 5 9.088 -9.933 -5.617 1.00 0.00 C ATOM 61 OE1 GLN A 5 9.609 -10.937 -6.104 1.00 0.00 O ATOM 62 NE2 GLN A 5 9.380 -8.718 -6.030 1.00 0.00 N ATOM 0 H GLN A 5 5.477 -13.093 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 5 6.891 -11.597 -2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.911 -12.173 -4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.658 -11.295 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.405 -9.182 -4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.581 -10.019 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.927 -7.911 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.059 -8.583 -6.779 1.00 0.00 H new ATOM 71 N VAL A 6 5.387 -9.707 -2.145 1.00 0.00 N ATOM 72 CA VAL A 6 4.530 -8.579 -1.875 1.00 0.00 C ATOM 73 C VAL A 6 5.372 -7.339 -1.670 1.00 0.00 C ATOM 74 O VAL A 6 6.298 -7.335 -0.850 1.00 0.00 O ATOM 75 CB VAL A 6 3.656 -8.823 -0.619 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.765 -7.624 -0.335 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.820 -10.087 -0.782 1.00 0.00 C ATOM 0 H VAL A 6 6.026 -9.940 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 6 3.868 -8.444 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 6 4.321 -8.959 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.162 -7.821 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.384 -6.743 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.110 -7.447 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.214 -10.240 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.168 -9.983 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.479 -10.943 -0.924 1.00 0.00 H new ATOM 87 N ALA A 7 5.060 -6.296 -2.402 1.00 0.00 N ATOM 88 CA ALA A 7 5.806 -5.067 -2.309 1.00 0.00 C ATOM 89 C ALA A 7 5.070 -4.081 -1.434 1.00 0.00 C ATOM 90 O ALA A 7 3.879 -3.829 -1.632 1.00 0.00 O ATOM 91 CB ALA A 7 6.033 -4.481 -3.693 1.00 0.00 C ATOM 0 H ALA A 7 4.291 -6.276 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 7 6.777 -5.277 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.598 -3.553 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.593 -5.191 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.071 -4.278 -4.164 1.00 0.00 H new ATOM 97 N THR A 8 5.766 -3.536 -0.463 1.00 0.00 N ATOM 98 CA THR A 8 5.168 -2.588 0.435 1.00 0.00 C ATOM 99 C THR A 8 5.862 -1.251 0.339 1.00 0.00 C ATOM 100 O THR A 8 7.062 -1.176 0.064 1.00 0.00 O ATOM 101 CB THR A 8 5.205 -3.083 1.899 1.00 0.00 C ATOM 102 OG1 THR A 8 6.561 -3.321 2.302 1.00 0.00 O ATOM 103 CG2 THR A 8 4.409 -4.365 2.057 1.00 0.00 C ATOM 0 H THR A 8 6.749 -3.737 -0.278 1.00 0.00 H new ATOM 0 HA THR A 8 4.126 -2.479 0.136 1.00 0.00 H new ATOM 0 HB THR A 8 4.761 -2.311 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.576 -3.633 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.450 -4.693 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.372 -4.186 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.832 -5.138 1.415 1.00 0.00 H new ATOM 111 N SER A 9 5.104 -0.207 0.535 1.00 0.00 N ATOM 112 CA SER A 9 5.619 1.134 0.494 1.00 0.00 C ATOM 113 C SER A 9 4.669 2.057 1.220 1.00 0.00 C ATOM 114 O SER A 9 3.557 1.660 1.560 1.00 0.00 O ATOM 115 CB SER A 9 5.814 1.586 -0.957 1.00 0.00 C ATOM 116 OG SER A 9 4.580 1.605 -1.653 1.00 0.00 O ATOM 0 H SER A 9 4.104 -0.263 0.729 1.00 0.00 H new ATOM 0 HA SER A 9 6.590 1.165 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.261 2.580 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.509 0.914 -1.461 1.00 0.00 H new ATOM 0 HG SER A 9 4.500 0.795 -2.200 1.00 0.00 H new ATOM 122 N THR A 10 5.097 3.256 1.482 1.00 0.00 N ATOM 123 CA THR A 10 4.238 4.232 2.086 1.00 0.00 C ATOM 124 C THR A 10 3.968 5.344 1.093 1.00 0.00 C ATOM 125 O THR A 10 4.891 5.885 0.493 1.00 0.00 O ATOM 126 CB THR A 10 4.856 4.806 3.380 1.00 0.00 C ATOM 127 OG1 THR A 10 6.217 5.214 3.139 1.00 0.00 O ATOM 128 CG2 THR A 10 4.819 3.771 4.497 1.00 0.00 C ATOM 0 H THR A 10 6.043 3.584 1.285 1.00 0.00 H new ATOM 0 HA THR A 10 3.301 3.747 2.359 1.00 0.00 H new ATOM 0 HB THR A 10 4.270 5.672 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.429 5.101 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.259 4.194 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.786 3.487 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.386 2.890 4.196 1.00 0.00 H new ATOM 136 N VAL A 11 2.719 5.676 0.906 1.00 0.00 N ATOM 137 CA VAL A 11 2.363 6.707 -0.038 1.00 0.00 C ATOM 138 C VAL A 11 1.873 7.942 0.690 1.00 0.00 C ATOM 139 O VAL A 11 0.951 7.875 1.505 1.00 0.00 O ATOM 140 CB VAL A 11 1.296 6.207 -1.065 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.040 5.703 -0.366 1.00 0.00 C ATOM 142 CG2 VAL A 11 0.951 7.298 -2.069 1.00 0.00 C ATOM 0 H VAL A 11 1.930 5.250 1.393 1.00 0.00 H new ATOM 0 HA VAL A 11 3.259 6.966 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 11 1.734 5.369 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.680 5.363 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.298 4.874 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.399 6.510 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.207 6.924 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.550 8.164 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.850 7.589 -2.613 1.00 0.00 H new ATOM 152 N ARG A 12 2.515 9.062 0.432 1.00 0.00 N ATOM 153 CA ARG A 12 2.131 10.295 1.068 1.00 0.00 C ATOM 154 C ARG A 12 0.984 10.936 0.334 1.00 0.00 C ATOM 155 O ARG A 12 0.870 10.819 -0.885 1.00 0.00 O ATOM 156 CB ARG A 12 3.305 11.265 1.200 1.00 0.00 C ATOM 157 CG ARG A 12 3.918 11.712 -0.109 1.00 0.00 C ATOM 158 CD ARG A 12 4.970 12.786 0.130 1.00 0.00 C ATOM 159 NE ARG A 12 5.714 13.123 -1.082 1.00 0.00 N ATOM 160 CZ ARG A 12 6.220 14.332 -1.344 1.00 0.00 C ATOM 161 NH1 ARG A 12 6.013 15.342 -0.502 1.00 0.00 N ATOM 162 NH2 ARG A 12 6.931 14.529 -2.445 1.00 0.00 N ATOM 0 H ARG A 12 3.302 9.140 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 12 1.804 10.051 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.968 12.147 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.080 10.793 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.370 10.859 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.140 12.098 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.487 13.683 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.666 12.444 0.896 1.00 0.00 H new ATOM 0 HE ARG A 12 5.856 12.387 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.467 15.195 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.401 16.263 -0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.092 13.758 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.317 15.452 -2.645 1.00 0.00 H new ATOM 176 N ILE A 13 0.151 11.606 1.074 1.00 0.00 N ATOM 177 CA ILE A 13 -1.014 12.251 0.530 1.00 0.00 C ATOM 178 C ILE A 13 -0.888 13.755 0.679 1.00 0.00 C ATOM 179 O ILE A 13 -0.683 14.262 1.782 1.00 0.00 O ATOM 180 CB ILE A 13 -2.291 11.772 1.256 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.454 10.254 1.105 1.00 0.00 C ATOM 182 CG2 ILE A 13 -3.513 12.501 0.722 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.565 9.668 1.951 1.00 0.00 C ATOM 0 H ILE A 13 0.259 11.723 2.081 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.088 11.991 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.194 12.002 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.647 10.022 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.514 9.770 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.403 12.151 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.396 13.573 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.618 12.303 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.617 8.591 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.364 9.867 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.515 10.123 1.670 1.00 0.00 H new ATOM 195 N LEU A 14 -0.983 14.458 -0.423 1.00 0.00 N ATOM 196 CA LEU A 14 -0.897 15.898 -0.414 1.00 0.00 C ATOM 197 C LEU A 14 -2.194 16.496 -0.918 1.00 0.00 C ATOM 198 O LEU A 14 -2.590 16.263 -2.061 1.00 0.00 O ATOM 199 CB LEU A 14 0.264 16.363 -1.292 1.00 0.00 C ATOM 200 CG LEU A 14 0.436 17.877 -1.423 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.746 18.510 -0.075 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.516 18.201 -2.434 1.00 0.00 C ATOM 0 H LEU A 14 -1.122 14.050 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.722 16.233 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.188 15.945 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.131 15.944 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.505 18.298 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.863 19.587 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.072 18.310 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.669 18.087 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.626 19.282 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.460 17.764 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.240 17.790 -3.405 1.00 0.00 H new ATOM 214 N GLY A 15 -2.858 17.259 -0.080 1.00 0.00 N ATOM 215 CA GLY A 15 -4.086 17.867 -0.495 1.00 0.00 C ATOM 216 C GLY A 15 -4.664 18.791 0.535 1.00 0.00 C ATOM 217 O GLY A 15 -4.351 18.683 1.725 1.00 0.00 O ATOM 0 H GLY A 15 -2.569 17.467 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.916 18.422 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.812 17.086 -0.722 1.00 0.00 H new ATOM 221 N MET A 16 -5.508 19.708 0.075 1.00 0.00 N ATOM 222 CA MET A 16 -6.189 20.642 0.953 1.00 0.00 C ATOM 223 C MET A 16 -7.082 19.891 1.927 1.00 0.00 C ATOM 224 O MET A 16 -7.061 20.146 3.125 1.00 0.00 O ATOM 225 CB MET A 16 -7.012 21.632 0.129 1.00 0.00 C ATOM 226 CG MET A 16 -7.772 22.655 0.958 1.00 0.00 C ATOM 227 SD MET A 16 -8.617 23.877 -0.065 1.00 0.00 S ATOM 228 CE MET A 16 -9.868 22.864 -0.855 1.00 0.00 C ATOM 0 H MET A 16 -5.736 19.822 -0.913 1.00 0.00 H new ATOM 0 HA MET A 16 -5.444 21.197 1.523 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.347 22.158 -0.556 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.723 21.076 -0.482 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.502 22.142 1.584 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.079 23.163 1.628 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.608 23.506 -1.333 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.400 22.228 -1.606 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.358 22.241 -0.106 1.00 0.00 H new ATOM 238 N THR A 17 -7.854 18.954 1.401 1.00 0.00 N ATOM 239 CA THR A 17 -8.710 18.139 2.225 1.00 0.00 C ATOM 240 C THR A 17 -8.292 16.676 2.094 1.00 0.00 C ATOM 241 O THR A 17 -8.529 16.034 1.059 1.00 0.00 O ATOM 242 CB THR A 17 -10.190 18.290 1.813 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.550 19.682 1.803 1.00 0.00 O ATOM 244 CG2 THR A 17 -11.096 17.549 2.790 1.00 0.00 C ATOM 0 H THR A 17 -7.900 18.744 0.404 1.00 0.00 H new ATOM 0 HA THR A 17 -8.608 18.468 3.259 1.00 0.00 H new ATOM 0 HB THR A 17 -10.316 17.865 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.489 19.775 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.135 17.667 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.837 16.490 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.964 17.959 3.791 1.00 0.00 H new ATOM 252 N CYS A 18 -7.674 16.163 3.139 1.00 0.00 N ATOM 253 CA CYS A 18 -7.185 14.798 3.160 1.00 0.00 C ATOM 254 C CYS A 18 -8.337 13.800 3.063 1.00 0.00 C ATOM 255 O CYS A 18 -8.253 12.805 2.346 1.00 0.00 O ATOM 256 CB CYS A 18 -6.354 14.547 4.425 1.00 0.00 C ATOM 257 SG CYS A 18 -5.532 12.938 4.473 1.00 0.00 S ATOM 0 H CYS A 18 -7.496 16.681 3.999 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.544 14.653 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.600 15.329 4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.004 14.635 5.295 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.857 12.828 5.579 1.00 0.00 H new ATOM 263 N GLN A 19 -9.424 14.095 3.752 1.00 0.00 N ATOM 264 CA GLN A 19 -10.570 13.199 3.806 1.00 0.00 C ATOM 265 C GLN A 19 -11.160 12.948 2.416 1.00 0.00 C ATOM 266 O GLN A 19 -11.536 11.820 2.094 1.00 0.00 O ATOM 267 CB GLN A 19 -11.653 13.762 4.739 1.00 0.00 C ATOM 268 CG GLN A 19 -11.251 13.803 6.212 1.00 0.00 C ATOM 269 CD GLN A 19 -10.567 15.105 6.614 1.00 0.00 C ATOM 270 OE1 GLN A 19 -9.924 15.772 5.797 1.00 0.00 O ATOM 271 NE2 GLN A 19 -10.696 15.469 7.872 1.00 0.00 N ATOM 0 H GLN A 19 -9.540 14.956 4.287 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.217 12.246 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.907 14.771 4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.555 13.158 4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.139 13.662 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.582 12.969 6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.235 14.892 8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.257 16.329 8.202 1.00 0.00 H new ATOM 280 N SER A 20 -11.221 13.991 1.594 1.00 0.00 N ATOM 281 CA SER A 20 -11.787 13.875 0.253 1.00 0.00 C ATOM 282 C SER A 20 -10.985 12.893 -0.614 1.00 0.00 C ATOM 283 O SER A 20 -11.555 12.018 -1.278 1.00 0.00 O ATOM 284 CB SER A 20 -11.808 15.249 -0.415 1.00 0.00 C ATOM 285 OG SER A 20 -12.615 16.154 0.315 1.00 0.00 O ATOM 0 H SER A 20 -10.886 14.925 1.832 1.00 0.00 H new ATOM 0 HA SER A 20 -12.803 13.490 0.347 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.792 15.638 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.187 15.157 -1.433 1.00 0.00 H new ATOM 0 HG SER A 20 -12.612 17.027 -0.130 1.00 0.00 H new ATOM 291 N CYS A 21 -9.667 13.024 -0.586 1.00 0.00 N ATOM 292 CA CYS A 21 -8.808 12.158 -1.375 1.00 0.00 C ATOM 293 C CYS A 21 -8.727 10.753 -0.792 1.00 0.00 C ATOM 294 O CYS A 21 -8.677 9.771 -1.537 1.00 0.00 O ATOM 295 CB CYS A 21 -7.428 12.771 -1.532 1.00 0.00 C ATOM 296 SG CYS A 21 -6.641 13.220 0.020 1.00 0.00 S ATOM 0 H CYS A 21 -9.172 13.719 -0.027 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.254 12.065 -2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.787 12.065 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.507 13.660 -2.157 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.368 12.800 1.013 1.00 0.00 H new ATOM 302 N VAL A 22 -8.731 10.655 0.541 1.00 0.00 N ATOM 303 CA VAL A 22 -8.709 9.357 1.202 1.00 0.00 C ATOM 304 C VAL A 22 -9.955 8.583 0.831 1.00 0.00 C ATOM 305 O VAL A 22 -9.893 7.406 0.521 1.00 0.00 O ATOM 306 CB VAL A 22 -8.600 9.479 2.747 1.00 0.00 C ATOM 307 CG1 VAL A 22 -8.807 8.123 3.417 1.00 0.00 C ATOM 308 CG2 VAL A 22 -7.245 10.046 3.136 1.00 0.00 C ATOM 0 H VAL A 22 -8.749 11.454 1.174 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.820 8.827 0.860 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.383 10.156 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.726 8.235 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.796 7.740 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.047 7.424 3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.182 10.126 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.457 9.385 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.123 11.034 2.692 1.00 0.00 H new ATOM 318 N LYS A 23 -11.080 9.272 0.830 1.00 0.00 N ATOM 319 CA LYS A 23 -12.347 8.667 0.459 1.00 0.00 C ATOM 320 C LYS A 23 -12.293 8.151 -0.971 1.00 0.00 C ATOM 321 O LYS A 23 -12.796 7.064 -1.272 1.00 0.00 O ATOM 322 CB LYS A 23 -13.495 9.674 0.615 1.00 0.00 C ATOM 323 CG LYS A 23 -14.857 9.129 0.202 1.00 0.00 C ATOM 324 CD LYS A 23 -15.258 7.938 1.053 1.00 0.00 C ATOM 325 CE LYS A 23 -16.638 7.427 0.681 1.00 0.00 C ATOM 326 NZ LYS A 23 -17.029 6.257 1.502 1.00 0.00 N ATOM 0 H LYS A 23 -11.143 10.258 1.084 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.531 7.826 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.544 9.996 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.273 10.558 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.608 9.914 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.830 8.836 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.527 7.139 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.245 8.221 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.369 8.225 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.652 7.153 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.977 5.936 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.345 5.487 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.040 6.526 2.507 1.00 0.00 H new ATOM 340 N SER A 24 -11.670 8.931 -1.840 1.00 0.00 N ATOM 341 CA SER A 24 -11.584 8.597 -3.248 1.00 0.00 C ATOM 342 C SER A 24 -10.864 7.258 -3.449 1.00 0.00 C ATOM 343 O SER A 24 -11.355 6.371 -4.160 1.00 0.00 O ATOM 344 CB SER A 24 -10.831 9.713 -3.996 1.00 0.00 C ATOM 345 OG SER A 24 -10.833 9.496 -5.402 1.00 0.00 O ATOM 0 H SER A 24 -11.213 9.808 -1.589 1.00 0.00 H new ATOM 0 HA SER A 24 -12.594 8.505 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.293 10.675 -3.775 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.803 9.763 -3.637 1.00 0.00 H new ATOM 0 HG SER A 24 -10.016 9.020 -5.661 1.00 0.00 H new ATOM 351 N ILE A 25 -9.720 7.110 -2.803 1.00 0.00 N ATOM 352 CA ILE A 25 -8.931 5.900 -2.927 1.00 0.00 C ATOM 353 C ILE A 25 -9.521 4.743 -2.112 1.00 0.00 C ATOM 354 O ILE A 25 -9.573 3.610 -2.587 1.00 0.00 O ATOM 355 CB ILE A 25 -7.445 6.146 -2.530 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.598 4.895 -2.768 1.00 0.00 C ATOM 357 CG2 ILE A 25 -7.319 6.618 -1.086 1.00 0.00 C ATOM 358 CD1 ILE A 25 -5.119 5.118 -2.544 1.00 0.00 C ATOM 0 H ILE A 25 -9.317 7.816 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.961 5.613 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.066 6.942 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.942 4.101 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.755 4.548 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.268 6.779 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.867 7.552 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.732 5.861 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.579 4.190 -2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.760 5.890 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.951 5.435 -1.515 1.00 0.00 H new ATOM 370 N GLU A 26 -10.018 5.055 -0.916 1.00 0.00 N ATOM 371 CA GLU A 26 -10.535 4.044 0.012 1.00 0.00 C ATOM 372 C GLU A 26 -11.698 3.277 -0.599 1.00 0.00 C ATOM 373 O GLU A 26 -11.728 2.048 -0.572 1.00 0.00 O ATOM 374 CB GLU A 26 -11.001 4.728 1.310 1.00 0.00 C ATOM 375 CG GLU A 26 -11.571 3.789 2.366 1.00 0.00 C ATOM 376 CD GLU A 26 -10.552 2.818 2.933 1.00 0.00 C ATOM 377 OE1 GLU A 26 -9.369 3.186 3.059 1.00 0.00 O ATOM 378 OE2 GLU A 26 -10.945 1.690 3.290 1.00 0.00 O ATOM 0 H GLU A 26 -10.075 6.010 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.733 3.338 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.157 5.266 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.758 5.471 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.987 4.382 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.395 3.224 1.930 1.00 0.00 H new ATOM 385 N ASP A 27 -12.635 4.007 -1.171 1.00 0.00 N ATOM 386 CA ASP A 27 -13.826 3.404 -1.752 1.00 0.00 C ATOM 387 C ASP A 27 -13.488 2.490 -2.930 1.00 0.00 C ATOM 388 O ASP A 27 -13.893 1.320 -2.965 1.00 0.00 O ATOM 389 CB ASP A 27 -14.791 4.500 -2.198 1.00 0.00 C ATOM 390 CG ASP A 27 -16.058 3.954 -2.806 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.868 3.362 -2.066 1.00 0.00 O ATOM 392 OD2 ASP A 27 -16.262 4.136 -4.027 1.00 0.00 O ATOM 0 H ASP A 27 -12.597 5.023 -1.248 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.296 2.787 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.045 5.124 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.293 5.142 -2.924 1.00 0.00 H new ATOM 397 N ARG A 28 -12.715 3.014 -3.869 1.00 0.00 N ATOM 398 CA ARG A 28 -12.364 2.270 -5.071 1.00 0.00 C ATOM 399 C ARG A 28 -11.532 1.028 -4.749 1.00 0.00 C ATOM 400 O ARG A 28 -11.802 -0.065 -5.256 1.00 0.00 O ATOM 401 CB ARG A 28 -11.615 3.167 -6.058 1.00 0.00 C ATOM 402 CG ARG A 28 -11.279 2.483 -7.375 1.00 0.00 C ATOM 403 CD ARG A 28 -10.585 3.434 -8.334 1.00 0.00 C ATOM 404 NE ARG A 28 -11.444 4.538 -8.753 1.00 0.00 N ATOM 405 CZ ARG A 28 -11.033 5.566 -9.503 1.00 0.00 C ATOM 406 NH1 ARG A 28 -9.775 5.622 -9.932 1.00 0.00 N ATOM 407 NH2 ARG A 28 -11.884 6.527 -9.834 1.00 0.00 N ATOM 0 H ARG A 28 -12.318 3.952 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.295 1.935 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.219 4.051 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.692 3.512 -5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.637 1.622 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.193 2.105 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.691 3.836 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.256 2.881 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.419 4.524 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.120 4.879 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.466 6.408 -10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.852 6.482 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.570 7.311 -10.406 1.00 0.00 H new ATOM 421 N ILE A 29 -10.538 1.192 -3.889 1.00 0.00 N ATOM 422 CA ILE A 29 -9.644 0.099 -3.567 1.00 0.00 C ATOM 423 C ILE A 29 -10.366 -0.996 -2.773 1.00 0.00 C ATOM 424 O ILE A 29 -10.041 -2.170 -2.896 1.00 0.00 O ATOM 425 CB ILE A 29 -8.374 0.588 -2.825 1.00 0.00 C ATOM 426 CG1 ILE A 29 -7.283 -0.470 -2.899 1.00 0.00 C ATOM 427 CG2 ILE A 29 -8.680 0.931 -1.370 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.929 0.039 -2.486 1.00 0.00 C ATOM 0 H ILE A 29 -10.334 2.067 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.316 -0.335 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.024 1.496 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.558 -1.310 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.225 -0.850 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.769 1.271 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.429 1.722 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.060 0.046 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.199 -0.766 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.634 0.860 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.972 0.393 -1.456 1.00 0.00 H new ATOM 440 N SER A 30 -11.356 -0.600 -1.973 1.00 0.00 N ATOM 441 CA SER A 30 -12.163 -1.557 -1.226 1.00 0.00 C ATOM 442 C SER A 30 -12.939 -2.448 -2.186 1.00 0.00 C ATOM 443 O SER A 30 -13.101 -3.649 -1.951 1.00 0.00 O ATOM 444 CB SER A 30 -13.122 -0.839 -0.277 1.00 0.00 C ATOM 445 OG SER A 30 -12.411 -0.131 0.723 1.00 0.00 O ATOM 0 H SER A 30 -11.616 0.376 -1.828 1.00 0.00 H new ATOM 0 HA SER A 30 -11.495 -2.177 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.748 -0.148 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.788 -1.564 0.190 1.00 0.00 H new ATOM 0 HG SER A 30 -11.921 0.612 0.312 1.00 0.00 H new ATOM 451 N ASN A 31 -13.427 -1.847 -3.266 1.00 0.00 N ATOM 452 CA ASN A 31 -14.166 -2.580 -4.284 1.00 0.00 C ATOM 453 C ASN A 31 -13.246 -3.548 -5.036 1.00 0.00 C ATOM 454 O ASN A 31 -13.690 -4.592 -5.535 1.00 0.00 O ATOM 455 CB ASN A 31 -14.818 -1.607 -5.271 1.00 0.00 C ATOM 456 CG ASN A 31 -15.834 -2.280 -6.180 1.00 0.00 C ATOM 457 OD1 ASN A 31 -16.504 -3.243 -5.788 1.00 0.00 O ATOM 458 ND2 ASN A 31 -15.955 -1.783 -7.395 1.00 0.00 N ATOM 0 H ASN A 31 -13.323 -0.851 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.944 -3.159 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.308 -0.808 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.043 -1.143 -5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.620 -2.194 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.384 -0.988 -7.680 1.00 0.00 H new ATOM 465 N LEU A 32 -11.962 -3.208 -5.104 1.00 0.00 N ATOM 466 CA LEU A 32 -10.996 -4.033 -5.815 1.00 0.00 C ATOM 467 C LEU A 32 -10.446 -5.171 -4.957 1.00 0.00 C ATOM 468 O LEU A 32 -10.136 -5.002 -3.781 1.00 0.00 O ATOM 469 CB LEU A 32 -9.853 -3.185 -6.361 1.00 0.00 C ATOM 470 CG LEU A 32 -10.267 -2.080 -7.325 1.00 0.00 C ATOM 471 CD1 LEU A 32 -9.055 -1.319 -7.815 1.00 0.00 C ATOM 472 CD2 LEU A 32 -11.050 -2.652 -8.489 1.00 0.00 C ATOM 0 H LEU A 32 -11.569 -2.369 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.533 -4.488 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.324 -2.733 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.145 -3.841 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.913 -1.383 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.371 -0.534 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.539 -0.871 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.380 -2.002 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.336 -1.847 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.432 -3.373 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.946 -3.148 -8.116 1.00 0.00 H new ATOM 484 N LYS A 33 -10.347 -6.328 -5.573 1.00 0.00 N ATOM 485 CA LYS A 33 -9.838 -7.533 -4.941 1.00 0.00 C ATOM 486 C LYS A 33 -8.318 -7.608 -5.084 1.00 0.00 C ATOM 487 O LYS A 33 -7.748 -7.017 -6.004 1.00 0.00 O ATOM 488 CB LYS A 33 -10.496 -8.795 -5.543 1.00 0.00 C ATOM 489 CG LYS A 33 -12.026 -8.863 -5.397 1.00 0.00 C ATOM 490 CD LYS A 33 -12.737 -7.839 -6.279 1.00 0.00 C ATOM 491 CE LYS A 33 -14.245 -7.915 -6.130 1.00 0.00 C ATOM 492 NZ LYS A 33 -14.932 -6.905 -6.978 1.00 0.00 N ATOM 0 H LYS A 33 -10.622 -6.464 -6.546 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.090 -7.491 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.244 -8.847 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.061 -9.675 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.370 -9.864 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.298 -8.693 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.396 -6.837 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.466 -8.007 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.588 -8.913 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.516 -7.759 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.962 -7.020 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.662 -5.950 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.653 -7.038 -7.971 1.00 0.00 H new ATOM 506 N GLY A 34 -7.665 -8.319 -4.175 1.00 0.00 N ATOM 507 CA GLY A 34 -6.221 -8.463 -4.250 1.00 0.00 C ATOM 508 C GLY A 34 -5.492 -7.615 -3.237 1.00 0.00 C ATOM 509 O GLY A 34 -4.257 -7.521 -3.258 1.00 0.00 O ATOM 0 H GLY A 34 -8.105 -8.798 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.957 -9.509 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.886 -8.192 -5.251 1.00 0.00 H new ATOM 513 N ILE A 35 -6.241 -6.997 -2.347 1.00 0.00 N ATOM 514 CA ILE A 35 -5.652 -6.176 -1.314 1.00 0.00 C ATOM 515 C ILE A 35 -5.388 -7.014 -0.063 1.00 0.00 C ATOM 516 O ILE A 35 -6.246 -7.784 0.371 1.00 0.00 O ATOM 517 CB ILE A 35 -6.557 -4.963 -0.962 1.00 0.00 C ATOM 518 CG1 ILE A 35 -7.932 -5.426 -0.454 1.00 0.00 C ATOM 519 CG2 ILE A 35 -6.718 -4.061 -2.178 1.00 0.00 C ATOM 520 CD1 ILE A 35 -8.803 -4.300 0.071 1.00 0.00 C ATOM 0 H ILE A 35 -7.259 -7.049 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.707 -5.788 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.076 -4.400 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.457 -5.931 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.788 -6.160 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.354 -3.214 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.740 -3.698 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.176 -4.625 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.756 -4.705 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.300 -3.809 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.980 -3.576 -0.724 1.00 0.00 H new ATOM 532 N ILE A 36 -4.198 -6.886 0.499 1.00 0.00 N ATOM 533 CA ILE A 36 -3.847 -7.655 1.683 1.00 0.00 C ATOM 534 C ILE A 36 -4.044 -6.827 2.939 1.00 0.00 C ATOM 535 O ILE A 36 -4.832 -7.183 3.814 1.00 0.00 O ATOM 536 CB ILE A 36 -2.383 -8.155 1.625 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.173 -9.042 0.396 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.025 -8.918 2.901 1.00 0.00 C ATOM 539 CD1 ILE A 36 -0.727 -9.422 0.161 1.00 0.00 C ATOM 0 H ILE A 36 -3.464 -6.264 0.160 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.509 -8.521 1.710 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.725 -7.289 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.765 -9.950 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.551 -8.523 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.992 -9.262 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.140 -8.260 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.687 -9.777 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.656 -10.051 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.133 -8.520 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.350 -9.970 1.025 1.00 0.00 H new ATOM 551 N SER A 37 -3.344 -5.715 3.015 1.00 0.00 N ATOM 552 CA SER A 37 -3.432 -4.850 4.161 1.00 0.00 C ATOM 553 C SER A 37 -3.126 -3.423 3.762 1.00 0.00 C ATOM 554 O SER A 37 -2.250 -3.170 2.932 1.00 0.00 O ATOM 555 CB SER A 37 -2.459 -5.320 5.252 1.00 0.00 C ATOM 556 OG SER A 37 -2.519 -4.489 6.407 1.00 0.00 O ATOM 0 H SER A 37 -2.705 -5.392 2.289 1.00 0.00 H new ATOM 0 HA SER A 37 -4.447 -4.890 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.694 -6.347 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.443 -5.321 4.857 1.00 0.00 H new ATOM 0 HG SER A 37 -1.888 -4.819 7.080 1.00 0.00 H new ATOM 562 N MET A 38 -3.851 -2.499 4.336 1.00 0.00 N ATOM 563 CA MET A 38 -3.624 -1.103 4.086 1.00 0.00 C ATOM 564 C MET A 38 -3.894 -0.310 5.340 1.00 0.00 C ATOM 565 O MET A 38 -4.753 -0.675 6.143 1.00 0.00 O ATOM 566 CB MET A 38 -4.503 -0.601 2.933 1.00 0.00 C ATOM 567 CG MET A 38 -6.000 -0.673 3.201 1.00 0.00 C ATOM 568 SD MET A 38 -6.986 -0.101 1.800 1.00 0.00 S ATOM 569 CE MET A 38 -6.590 1.649 1.790 1.00 0.00 C ATOM 0 H MET A 38 -4.612 -2.693 4.987 1.00 0.00 H new ATOM 0 HA MET A 38 -2.582 -0.967 3.795 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.236 0.433 2.713 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.278 -1.185 2.041 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.274 -1.701 3.437 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.238 -0.070 4.078 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.359 2.193 1.242 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.546 2.018 2.815 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.624 1.801 1.308 1.00 0.00 H new ATOM 579 N LYS A 39 -3.158 0.751 5.515 1.00 0.00 N ATOM 580 CA LYS A 39 -3.319 1.602 6.672 1.00 0.00 C ATOM 581 C LYS A 39 -3.304 3.045 6.252 1.00 0.00 C ATOM 582 O LYS A 39 -2.365 3.493 5.612 1.00 0.00 O ATOM 583 CB LYS A 39 -2.188 1.361 7.678 1.00 0.00 C ATOM 584 CG LYS A 39 -2.273 2.237 8.922 1.00 0.00 C ATOM 585 CD LYS A 39 -1.111 1.978 9.864 1.00 0.00 C ATOM 586 CE LYS A 39 -1.179 2.877 11.090 1.00 0.00 C ATOM 587 NZ LYS A 39 -0.034 2.656 12.007 1.00 0.00 N ATOM 0 H LYS A 39 -2.431 1.054 4.866 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.273 1.364 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.201 0.314 7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.232 1.538 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.279 3.287 8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.213 2.045 9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.119 0.934 10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.171 2.146 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.194 3.920 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.111 2.692 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.120 3.288 12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.034 1.667 12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.855 2.857 11.507 1.00 0.00 H new ATOM 601 N VAL A 40 -4.328 3.769 6.604 1.00 0.00 N ATOM 602 CA VAL A 40 -4.371 5.173 6.309 1.00 0.00 C ATOM 603 C VAL A 40 -4.148 5.944 7.589 1.00 0.00 C ATOM 604 O VAL A 40 -4.940 5.851 8.527 1.00 0.00 O ATOM 605 CB VAL A 40 -5.723 5.591 5.682 1.00 0.00 C ATOM 606 CG1 VAL A 40 -5.741 7.085 5.387 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.998 4.791 4.415 1.00 0.00 C ATOM 0 H VAL A 40 -5.146 3.410 7.097 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.590 5.395 5.582 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.513 5.375 6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.700 7.357 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.596 7.641 6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.940 7.328 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.953 5.100 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.203 4.971 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.035 3.729 4.656 1.00 0.00 H new ATOM 617 N SER A 41 -3.064 6.679 7.644 1.00 0.00 N ATOM 618 CA SER A 41 -2.752 7.450 8.813 1.00 0.00 C ATOM 619 C SER A 41 -2.919 8.926 8.522 1.00 0.00 C ATOM 620 O SER A 41 -2.086 9.535 7.851 1.00 0.00 O ATOM 621 CB SER A 41 -1.328 7.149 9.269 1.00 0.00 C ATOM 622 OG SER A 41 -1.173 5.767 9.532 1.00 0.00 O ATOM 0 H SER A 41 -2.384 6.757 6.888 1.00 0.00 H new ATOM 0 HA SER A 41 -3.438 7.178 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.620 7.460 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.098 7.724 10.166 1.00 0.00 H new ATOM 0 HG SER A 41 -0.254 5.590 9.822 1.00 0.00 H new ATOM 628 N LEU A 42 -3.998 9.493 9.025 1.00 0.00 N ATOM 629 CA LEU A 42 -4.301 10.898 8.820 1.00 0.00 C ATOM 630 C LEU A 42 -3.249 11.776 9.476 1.00 0.00 C ATOM 631 O LEU A 42 -2.887 12.828 8.950 1.00 0.00 O ATOM 632 CB LEU A 42 -5.691 11.231 9.366 1.00 0.00 C ATOM 633 CG LEU A 42 -6.866 10.571 8.635 1.00 0.00 C ATOM 634 CD1 LEU A 42 -8.172 10.873 9.344 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.929 11.034 7.187 1.00 0.00 C ATOM 0 H LEU A 42 -4.689 8.995 9.586 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.293 11.096 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.729 10.939 10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.826 12.312 9.331 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.709 9.492 8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.994 10.396 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.130 10.489 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.332 11.951 9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.770 10.553 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.059 12.116 7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.003 10.765 6.678 1.00 0.00 H new ATOM 647 N GLU A 43 -2.767 11.332 10.628 1.00 0.00 N ATOM 648 CA GLU A 43 -1.774 12.072 11.398 1.00 0.00 C ATOM 649 C GLU A 43 -0.469 12.197 10.618 1.00 0.00 C ATOM 650 O GLU A 43 0.171 13.249 10.611 1.00 0.00 O ATOM 651 CB GLU A 43 -1.484 11.347 12.717 1.00 0.00 C ATOM 652 CG GLU A 43 -2.667 11.256 13.666 1.00 0.00 C ATOM 653 CD GLU A 43 -3.728 10.302 13.168 1.00 0.00 C ATOM 654 OE1 GLU A 43 -3.362 9.216 12.657 1.00 0.00 O ATOM 655 OE2 GLU A 43 -4.917 10.635 13.262 1.00 0.00 O ATOM 0 H GLU A 43 -3.052 10.451 11.056 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.176 13.066 11.596 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.137 10.338 12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.667 11.859 13.225 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.320 10.930 14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.103 12.246 13.795 1.00 0.00 H new ATOM 662 N GLN A 44 -0.084 11.111 9.962 1.00 0.00 N ATOM 663 CA GLN A 44 1.161 11.066 9.206 1.00 0.00 C ATOM 664 C GLN A 44 0.982 11.644 7.812 1.00 0.00 C ATOM 665 O GLN A 44 1.930 12.153 7.214 1.00 0.00 O ATOM 666 CB GLN A 44 1.658 9.624 9.101 1.00 0.00 C ATOM 667 CG GLN A 44 2.010 8.994 10.437 1.00 0.00 C ATOM 668 CD GLN A 44 2.455 7.551 10.305 1.00 0.00 C ATOM 669 OE1 GLN A 44 3.050 7.157 9.300 1.00 0.00 O ATOM 670 NE2 GLN A 44 2.174 6.756 11.315 1.00 0.00 N ATOM 0 H GLN A 44 -0.620 10.243 9.938 1.00 0.00 H new ATOM 0 HA GLN A 44 1.896 11.671 9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.890 9.020 8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.537 9.599 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.804 9.573 10.909 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.144 9.044 11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.680 7.121 12.129 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.450 5.775 11.284 1.00 0.00 H new ATOM 679 N GLY A 45 -0.233 11.563 7.299 1.00 0.00 N ATOM 680 CA GLY A 45 -0.494 12.027 5.957 1.00 0.00 C ATOM 681 C GLY A 45 0.029 11.043 4.933 1.00 0.00 C ATOM 682 O GLY A 45 0.288 11.399 3.790 1.00 0.00 O ATOM 0 H GLY A 45 -1.044 11.184 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.566 12.166 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.024 12.999 5.806 1.00 0.00 H new ATOM 686 N SER A 46 0.222 9.807 5.367 1.00 0.00 N ATOM 687 CA SER A 46 0.729 8.754 4.510 1.00 0.00 C ATOM 688 C SER A 46 -0.038 7.451 4.747 1.00 0.00 C ATOM 689 O SER A 46 -0.631 7.253 5.817 1.00 0.00 O ATOM 690 CB SER A 46 2.225 8.551 4.755 1.00 0.00 C ATOM 691 OG SER A 46 2.946 9.749 4.490 1.00 0.00 O ATOM 0 H SER A 46 0.031 9.509 6.323 1.00 0.00 H new ATOM 0 HA SER A 46 0.583 9.049 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.391 8.242 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.597 7.748 4.118 1.00 0.00 H new ATOM 0 HG SER A 46 3.901 9.599 4.654 1.00 0.00 H new ATOM 697 N ALA A 47 -0.043 6.583 3.751 1.00 0.00 N ATOM 698 CA ALA A 47 -0.731 5.310 3.851 1.00 0.00 C ATOM 699 C ALA A 47 0.227 4.139 3.628 1.00 0.00 C ATOM 700 O ALA A 47 1.131 4.212 2.789 1.00 0.00 O ATOM 701 CB ALA A 47 -1.884 5.253 2.858 1.00 0.00 C ATOM 0 H ALA A 47 0.425 6.739 2.858 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.131 5.223 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.391 4.292 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.589 6.056 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.498 5.370 1.845 1.00 0.00 H new ATOM 707 N THR A 48 0.025 3.075 4.389 1.00 0.00 N ATOM 708 CA THR A 48 0.827 1.869 4.281 1.00 0.00 C ATOM 709 C THR A 48 0.248 0.981 3.185 1.00 0.00 C ATOM 710 O THR A 48 -0.938 0.626 3.220 1.00 0.00 O ATOM 711 CB THR A 48 0.821 1.098 5.615 1.00 0.00 C ATOM 712 OG1 THR A 48 1.205 1.983 6.678 1.00 0.00 O ATOM 713 CG2 THR A 48 1.791 -0.078 5.567 1.00 0.00 C ATOM 0 H THR A 48 -0.703 3.025 5.102 1.00 0.00 H new ATOM 0 HA THR A 48 1.853 2.146 4.038 1.00 0.00 H new ATOM 0 HB THR A 48 -0.185 0.715 5.789 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.200 1.495 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.769 -0.607 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.498 -0.759 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.800 0.290 5.379 1.00 0.00 H new ATOM 721 N VAL A 49 1.080 0.634 2.228 1.00 0.00 N ATOM 722 CA VAL A 49 0.665 -0.144 1.078 1.00 0.00 C ATOM 723 C VAL A 49 1.183 -1.577 1.139 1.00 0.00 C ATOM 724 O VAL A 49 2.390 -1.804 1.184 1.00 0.00 O ATOM 725 CB VAL A 49 1.188 0.520 -0.226 1.00 0.00 C ATOM 726 CG1 VAL A 49 0.853 -0.315 -1.449 1.00 0.00 C ATOM 727 CG2 VAL A 49 0.629 1.927 -0.373 1.00 0.00 C ATOM 0 H VAL A 49 2.069 0.884 2.224 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.425 -0.172 1.084 1.00 0.00 H new ATOM 0 HB VAL A 49 2.274 0.581 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.234 0.180 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.313 -1.299 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.228 -0.426 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.007 2.375 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.459 1.884 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.938 2.532 0.479 1.00 0.00 H new ATOM 737 N LYS A 50 0.259 -2.533 1.160 1.00 0.00 N ATOM 738 CA LYS A 50 0.600 -3.945 1.074 1.00 0.00 C ATOM 739 C LYS A 50 -0.492 -4.677 0.298 1.00 0.00 C ATOM 740 O LYS A 50 -1.565 -4.973 0.836 1.00 0.00 O ATOM 741 CB LYS A 50 0.757 -4.552 2.481 1.00 0.00 C ATOM 742 CG LYS A 50 1.102 -6.038 2.481 1.00 0.00 C ATOM 743 CD LYS A 50 1.237 -6.594 3.895 1.00 0.00 C ATOM 744 CE LYS A 50 2.457 -6.024 4.607 1.00 0.00 C ATOM 745 NZ LYS A 50 2.654 -6.623 5.950 1.00 0.00 N ATOM 0 H LYS A 50 -0.741 -2.350 1.237 1.00 0.00 H new ATOM 0 HA LYS A 50 1.551 -4.054 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.537 -4.009 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.170 -4.405 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.328 -6.590 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.035 -6.193 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.339 -6.359 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.314 -7.681 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.345 -6.199 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.346 -4.944 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.495 -6.205 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.819 -6.434 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.786 -7.650 5.856 1.00 0.00 H new ATOM 759 N TYR A 51 -0.211 -4.986 -0.954 1.00 0.00 N ATOM 760 CA TYR A 51 -1.184 -5.638 -1.826 1.00 0.00 C ATOM 761 C TYR A 51 -0.468 -6.647 -2.693 1.00 0.00 C ATOM 762 O TYR A 51 0.761 -6.630 -2.771 1.00 0.00 O ATOM 763 CB TYR A 51 -1.881 -4.613 -2.746 1.00 0.00 C ATOM 764 CG TYR A 51 -2.405 -3.374 -2.046 1.00 0.00 C ATOM 765 CD1 TYR A 51 -3.342 -3.456 -1.025 1.00 0.00 C ATOM 766 CD2 TYR A 51 -1.941 -2.120 -2.405 1.00 0.00 C ATOM 767 CE1 TYR A 51 -3.799 -2.318 -0.386 1.00 0.00 C ATOM 768 CE2 TYR A 51 -2.390 -0.983 -1.771 1.00 0.00 C ATOM 769 CZ TYR A 51 -3.314 -1.085 -0.765 1.00 0.00 C ATOM 770 OH TYR A 51 -3.755 0.052 -0.136 1.00 0.00 O ATOM 0 H TYR A 51 0.688 -4.796 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.935 -6.121 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.178 -4.305 -3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.712 -5.106 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.719 -4.423 -0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.213 -2.032 -3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.531 -2.395 0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.015 -0.014 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.311 0.834 -0.525 1.00 0.00 H new ATOM 780 N VAL A 52 -1.215 -7.529 -3.333 1.00 0.00 N ATOM 781 CA VAL A 52 -0.614 -8.468 -4.261 1.00 0.00 C ATOM 782 C VAL A 52 -0.334 -7.732 -5.570 1.00 0.00 C ATOM 783 O VAL A 52 -1.268 -7.331 -6.265 1.00 0.00 O ATOM 784 CB VAL A 52 -1.549 -9.672 -4.543 1.00 0.00 C ATOM 785 CG1 VAL A 52 -0.885 -10.664 -5.489 1.00 0.00 C ATOM 786 CG2 VAL A 52 -1.952 -10.359 -3.247 1.00 0.00 C ATOM 0 H VAL A 52 -2.226 -7.614 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 52 0.305 -8.856 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.450 -9.292 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.560 -11.500 -5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.656 -10.169 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.037 -11.034 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.608 -11.201 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.061 -10.720 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.477 -9.650 -2.607 1.00 0.00 H new ATOM 796 N PRO A 53 0.957 -7.568 -5.936 1.00 0.00 N ATOM 797 CA PRO A 53 1.361 -6.787 -7.121 1.00 0.00 C ATOM 798 C PRO A 53 0.841 -7.377 -8.423 1.00 0.00 C ATOM 799 O PRO A 53 0.670 -6.668 -9.416 1.00 0.00 O ATOM 800 CB PRO A 53 2.895 -6.838 -7.080 1.00 0.00 C ATOM 801 CG PRO A 53 3.214 -8.034 -6.254 1.00 0.00 C ATOM 802 CD PRO A 53 2.123 -8.128 -5.229 1.00 0.00 C ATOM 0 HA PRO A 53 0.953 -5.777 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.315 -6.926 -8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.309 -5.931 -6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.252 -8.934 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.189 -7.931 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.950 -9.158 -4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.362 -7.559 -4.331 1.00 0.00 H new ATOM 810 N SER A 54 0.603 -8.675 -8.414 1.00 0.00 N ATOM 811 CA SER A 54 0.080 -9.364 -9.570 1.00 0.00 C ATOM 812 C SER A 54 -1.330 -8.870 -9.910 1.00 0.00 C ATOM 813 O SER A 54 -1.677 -8.714 -11.081 1.00 0.00 O ATOM 814 CB SER A 54 0.071 -10.869 -9.318 1.00 0.00 C ATOM 815 OG SER A 54 1.393 -11.352 -9.116 1.00 0.00 O ATOM 0 H SER A 54 0.767 -9.276 -7.607 1.00 0.00 H new ATOM 0 HA SER A 54 0.726 -9.150 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.541 -11.093 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.384 -11.382 -10.165 1.00 0.00 H new ATOM 0 HG SER A 54 1.367 -12.318 -8.954 1.00 0.00 H new ATOM 821 N VAL A 55 -2.130 -8.622 -8.877 1.00 0.00 N ATOM 822 CA VAL A 55 -3.509 -8.188 -9.062 1.00 0.00 C ATOM 823 C VAL A 55 -3.619 -6.664 -9.008 1.00 0.00 C ATOM 824 O VAL A 55 -4.212 -6.037 -9.891 1.00 0.00 O ATOM 825 CB VAL A 55 -4.437 -8.795 -7.983 1.00 0.00 C ATOM 826 CG1 VAL A 55 -5.887 -8.409 -8.235 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.282 -10.306 -7.924 1.00 0.00 C ATOM 0 H VAL A 55 -1.845 -8.715 -7.902 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.823 -8.539 -10.045 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.142 -8.387 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.520 -8.848 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.984 -7.324 -8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.197 -8.779 -9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.944 -10.710 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.541 -10.736 -8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.250 -10.557 -7.680 1.00 0.00 H new ATOM 837 N VAL A 56 -3.031 -6.076 -7.980 1.00 0.00 N ATOM 838 CA VAL A 56 -3.096 -4.643 -7.775 1.00 0.00 C ATOM 839 C VAL A 56 -1.713 -4.026 -7.915 1.00 0.00 C ATOM 840 O VAL A 56 -0.761 -4.460 -7.267 1.00 0.00 O ATOM 841 CB VAL A 56 -3.669 -4.299 -6.373 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.722 -2.792 -6.158 1.00 0.00 C ATOM 843 CG2 VAL A 56 -5.049 -4.914 -6.190 1.00 0.00 C ATOM 0 H VAL A 56 -2.498 -6.577 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.761 -4.232 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.000 -4.724 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.127 -2.580 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.717 -2.378 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.360 -2.339 -6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.432 -4.661 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.725 -4.525 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.980 -5.998 -6.286 1.00 0.00 H new ATOM 853 N CYS A 57 -1.606 -3.029 -8.764 1.00 0.00 N ATOM 854 CA CYS A 57 -0.349 -2.358 -8.984 1.00 0.00 C ATOM 855 C CYS A 57 -0.331 -1.001 -8.278 1.00 0.00 C ATOM 856 O CYS A 57 -1.370 -0.352 -8.120 1.00 0.00 O ATOM 857 CB CYS A 57 -0.083 -2.206 -10.483 1.00 0.00 C ATOM 858 SG CYS A 57 -1.366 -1.318 -11.382 1.00 0.00 S ATOM 0 H CYS A 57 -2.382 -2.664 -9.316 1.00 0.00 H new ATOM 0 HA CYS A 57 0.450 -2.965 -8.558 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.865 -1.686 -10.620 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.031 -3.197 -10.922 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.818 -0.426 -12.153 1.00 0.00 H new ATOM 864 N LEU A 58 0.853 -0.583 -7.871 1.00 0.00 N ATOM 865 CA LEU A 58 1.044 0.655 -7.119 1.00 0.00 C ATOM 866 C LEU A 58 0.667 1.896 -7.929 1.00 0.00 C ATOM 867 O LEU A 58 0.100 2.852 -7.387 1.00 0.00 O ATOM 868 CB LEU A 58 2.496 0.777 -6.614 1.00 0.00 C ATOM 869 CG LEU A 58 2.911 -0.168 -5.465 1.00 0.00 C ATOM 870 CD1 LEU A 58 2.961 -1.621 -5.923 1.00 0.00 C ATOM 871 CD2 LEU A 58 4.255 0.255 -4.892 1.00 0.00 C ATOM 0 H LEU A 58 1.718 -1.092 -8.051 1.00 0.00 H new ATOM 0 HA LEU A 58 0.371 0.603 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.165 0.603 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.657 1.804 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 58 2.154 -0.094 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.257 -2.256 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.976 -1.924 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.686 -1.723 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.534 -0.420 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.013 0.217 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.182 1.272 -4.507 1.00 0.00 H new ATOM 883 N GLN A 59 0.979 1.883 -9.222 1.00 0.00 N ATOM 884 CA GLN A 59 0.730 3.047 -10.073 1.00 0.00 C ATOM 885 C GLN A 59 -0.759 3.374 -10.162 1.00 0.00 C ATOM 886 O GLN A 59 -1.148 4.546 -10.115 1.00 0.00 O ATOM 887 CB GLN A 59 1.315 2.836 -11.467 1.00 0.00 C ATOM 888 CG GLN A 59 2.831 2.722 -11.471 1.00 0.00 C ATOM 889 CD GLN A 59 3.515 3.948 -10.898 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.024 5.073 -11.026 1.00 0.00 O ATOM 891 NE2 GLN A 59 4.643 3.738 -10.246 1.00 0.00 N ATOM 0 H GLN A 59 1.401 1.088 -9.702 1.00 0.00 H new ATOM 0 HA GLN A 59 1.229 3.899 -9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.888 1.931 -11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.018 3.666 -12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.126 1.845 -10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.176 2.564 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.015 2.792 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.142 4.522 -9.825 1.00 0.00 H new ATOM 900 N GLN A 60 -1.592 2.347 -10.272 1.00 0.00 N ATOM 901 CA GLN A 60 -3.035 2.547 -10.295 1.00 0.00 C ATOM 902 C GLN A 60 -3.529 3.108 -8.983 1.00 0.00 C ATOM 903 O GLN A 60 -4.411 3.947 -8.964 1.00 0.00 O ATOM 904 CB GLN A 60 -3.789 1.279 -10.678 1.00 0.00 C ATOM 905 CG GLN A 60 -3.617 0.906 -12.138 1.00 0.00 C ATOM 906 CD GLN A 60 -4.183 1.967 -13.065 1.00 0.00 C ATOM 907 OE1 GLN A 60 -5.176 2.624 -12.744 1.00 0.00 O ATOM 908 NE2 GLN A 60 -3.549 2.157 -14.205 1.00 0.00 N ATOM 0 H GLN A 60 -1.296 1.374 -10.346 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.242 3.281 -11.073 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.443 0.455 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.849 1.415 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.558 0.763 -12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.113 -0.046 -12.330 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.731 1.592 -14.434 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.877 2.869 -14.858 1.00 0.00 H new ATOM 917 N VAL A 61 -2.931 2.658 -7.888 1.00 0.00 N ATOM 918 CA VAL A 61 -3.295 3.137 -6.558 1.00 0.00 C ATOM 919 C VAL A 61 -3.081 4.655 -6.480 1.00 0.00 C ATOM 920 O VAL A 61 -3.932 5.397 -5.971 1.00 0.00 O ATOM 921 CB VAL A 61 -2.452 2.426 -5.464 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.684 3.045 -4.097 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.767 0.938 -5.433 1.00 0.00 C ATOM 0 H VAL A 61 -2.188 1.959 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.346 2.908 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.400 2.557 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.079 2.524 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.402 4.098 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.738 2.958 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.168 0.455 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.825 0.795 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.534 0.497 -6.402 1.00 0.00 H new ATOM 933 N CYS A 62 -1.957 5.109 -7.019 1.00 0.00 N ATOM 934 CA CYS A 62 -1.651 6.533 -7.075 1.00 0.00 C ATOM 935 C CYS A 62 -2.693 7.258 -7.928 1.00 0.00 C ATOM 936 O CYS A 62 -3.107 8.374 -7.618 1.00 0.00 O ATOM 937 CB CYS A 62 -0.259 6.752 -7.661 1.00 0.00 C ATOM 938 SG CYS A 62 1.085 6.201 -6.593 1.00 0.00 S ATOM 0 H CYS A 62 -1.239 4.509 -7.425 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.674 6.936 -6.062 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.191 6.226 -8.613 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.129 7.813 -7.873 1.00 0.00 H new ATOM 0 HG CYS A 62 2.224 6.427 -7.177 1.00 0.00 H new ATOM 944 N HIS A 63 -3.099 6.615 -9.009 1.00 0.00 N ATOM 945 CA HIS A 63 -4.098 7.172 -9.913 1.00 0.00 C ATOM 946 C HIS A 63 -5.463 7.256 -9.240 1.00 0.00 C ATOM 947 O HIS A 63 -6.201 8.205 -9.446 1.00 0.00 O ATOM 948 CB HIS A 63 -4.194 6.349 -11.202 1.00 0.00 C ATOM 949 CG HIS A 63 -2.989 6.464 -12.086 1.00 0.00 C ATOM 950 ND1 HIS A 63 -2.787 5.668 -13.192 1.00 0.00 N ATOM 951 CD2 HIS A 63 -1.919 7.291 -12.024 1.00 0.00 C ATOM 952 CE1 HIS A 63 -1.643 6.000 -13.767 1.00 0.00 C ATOM 953 NE2 HIS A 63 -1.102 6.981 -13.079 1.00 0.00 N ATOM 0 H HIS A 63 -2.750 5.698 -9.286 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.779 8.182 -10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.343 5.301 -10.942 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.074 6.668 -11.760 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.742 8.054 -11.280 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.224 5.543 -14.651 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.216 7.438 -13.296 1.00 0.00 H new ATOM 961 N GLN A 64 -5.770 6.266 -8.409 1.00 0.00 N ATOM 962 CA GLN A 64 -7.071 6.179 -7.748 1.00 0.00 C ATOM 963 C GLN A 64 -7.314 7.410 -6.881 1.00 0.00 C ATOM 964 O GLN A 64 -8.413 7.973 -6.869 1.00 0.00 O ATOM 965 CB GLN A 64 -7.110 4.933 -6.862 1.00 0.00 C ATOM 966 CG GLN A 64 -7.072 3.626 -7.631 1.00 0.00 C ATOM 967 CD GLN A 64 -6.949 2.423 -6.722 1.00 0.00 C ATOM 968 OE1 GLN A 64 -6.400 2.509 -5.631 1.00 0.00 O ATOM 969 NE2 GLN A 64 -7.435 1.292 -7.177 1.00 0.00 N ATOM 0 H GLN A 64 -5.131 5.506 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.846 6.122 -8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.265 4.962 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.015 4.959 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.978 3.534 -8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.232 3.641 -8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.885 1.262 -8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.362 0.443 -6.616 1.00 0.00 H new ATOM 978 N ILE A 65 -6.289 7.822 -6.158 1.00 0.00 N ATOM 979 CA ILE A 65 -6.381 9.007 -5.325 1.00 0.00 C ATOM 980 C ILE A 65 -6.181 10.288 -6.158 1.00 0.00 C ATOM 981 O ILE A 65 -6.823 11.316 -5.908 1.00 0.00 O ATOM 982 CB ILE A 65 -5.370 8.956 -4.141 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.590 10.133 -3.189 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.934 8.921 -4.638 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.786 10.040 -1.910 1.00 0.00 C ATOM 0 H ILE A 65 -5.383 7.354 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.385 9.028 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.550 8.033 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.331 11.058 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.649 10.193 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.255 8.886 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.785 8.037 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.731 9.815 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.994 10.909 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.061 9.133 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.723 10.011 -2.150 1.00 0.00 H new ATOM 997 N GLY A 66 -5.310 10.199 -7.166 1.00 0.00 N ATOM 998 CA GLY A 66 -4.999 11.343 -8.012 1.00 0.00 C ATOM 999 C GLY A 66 -6.165 11.798 -8.874 1.00 0.00 C ATOM 1000 O GLY A 66 -6.221 12.960 -9.273 1.00 0.00 O ATOM 0 H GLY A 66 -4.810 9.345 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.678 12.173 -7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.158 11.089 -8.658 1.00 0.00 H new ATOM 1004 N ASP A 67 -7.100 10.889 -9.152 1.00 0.00 N ATOM 1005 CA ASP A 67 -8.289 11.211 -9.963 1.00 0.00 C ATOM 1006 C ASP A 67 -9.108 12.306 -9.317 1.00 0.00 C ATOM 1007 O ASP A 67 -9.679 13.155 -10.002 1.00 0.00 O ATOM 1008 CB ASP A 67 -9.170 9.975 -10.204 1.00 0.00 C ATOM 1009 CG ASP A 67 -8.560 8.989 -11.180 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -7.670 9.389 -11.960 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -8.983 7.807 -11.180 1.00 0.00 O ATOM 0 H ASP A 67 -7.063 9.922 -8.830 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.926 11.562 -10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.348 9.473 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.141 10.297 -10.581 1.00 0.00 H new ATOM 1016 N MET A 68 -9.169 12.280 -7.996 1.00 0.00 N ATOM 1017 CA MET A 68 -9.895 13.287 -7.238 1.00 0.00 C ATOM 1018 C MET A 68 -9.281 14.676 -7.462 1.00 0.00 C ATOM 1019 O MET A 68 -9.969 15.695 -7.387 1.00 0.00 O ATOM 1020 CB MET A 68 -9.905 12.941 -5.747 1.00 0.00 C ATOM 1021 CG MET A 68 -10.827 13.825 -4.923 1.00 0.00 C ATOM 1022 SD MET A 68 -12.558 13.658 -5.398 1.00 0.00 S ATOM 1023 CE MET A 68 -13.306 14.949 -4.404 1.00 0.00 C ATOM 0 H MET A 68 -8.721 11.566 -7.422 1.00 0.00 H new ATOM 0 HA MET A 68 -10.926 13.303 -7.593 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.209 11.901 -5.626 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.891 13.024 -5.356 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.718 13.573 -3.868 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.522 14.865 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.305 15.167 -4.782 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.375 14.617 -3.368 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.694 15.849 -4.456 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.984 14.706 -7.736 1.00 0.00 N ATOM 1034 CA GLY A 69 -7.302 15.964 -7.963 1.00 0.00 C ATOM 1035 C GLY A 69 -6.252 16.245 -6.917 1.00 0.00 C ATOM 1036 O GLY A 69 -5.637 17.310 -6.913 1.00 0.00 O ATOM 0 H GLY A 69 -7.391 13.879 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.835 15.949 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.031 16.774 -7.969 1.00 0.00 H new ATOM 1040 N PHE A 70 -6.036 15.290 -6.037 1.00 0.00 N ATOM 1041 CA PHE A 70 -5.060 15.443 -4.980 1.00 0.00 C ATOM 1042 C PHE A 70 -3.809 14.632 -5.283 1.00 0.00 C ATOM 1043 O PHE A 70 -3.888 13.535 -5.838 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.654 15.039 -3.634 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.803 15.911 -3.192 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.567 17.122 -2.571 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -8.115 15.515 -3.393 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.612 17.924 -2.156 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.165 16.311 -2.979 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.913 17.516 -2.359 1.00 0.00 C ATOM 0 H PHE A 70 -6.526 14.395 -6.034 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.779 16.495 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.996 14.006 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.871 15.073 -2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.550 17.447 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.319 14.573 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.410 18.869 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.183 15.989 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.733 18.139 -2.033 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.666 15.188 -4.933 1.00 0.00 N ATOM 1061 CA GLU A 71 -1.377 14.571 -5.206 1.00 0.00 C ATOM 1062 C GLU A 71 -1.020 13.492 -4.185 1.00 0.00 C ATOM 1063 O GLU A 71 -1.390 13.575 -3.011 1.00 0.00 O ATOM 1064 CB GLU A 71 -0.283 15.638 -5.219 1.00 0.00 C ATOM 1065 CG GLU A 71 -0.421 16.651 -6.336 1.00 0.00 C ATOM 1066 CD GLU A 71 -0.397 16.005 -7.696 1.00 0.00 C ATOM 1067 OE1 GLU A 71 0.539 15.229 -7.972 1.00 0.00 O ATOM 1068 OE2 GLU A 71 -1.312 16.269 -8.502 1.00 0.00 O ATOM 0 H GLU A 71 -2.602 16.084 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.450 14.092 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.291 16.163 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.687 15.148 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.355 17.200 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.388 17.378 -6.267 1.00 0.00 H new ATOM 1075 N ALA A 72 -0.303 12.485 -4.651 1.00 0.00 N ATOM 1076 CA ALA A 72 0.191 11.414 -3.805 1.00 0.00 C ATOM 1077 C ALA A 72 1.519 10.915 -4.354 1.00 0.00 C ATOM 1078 O ALA A 72 1.739 10.958 -5.564 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.817 10.279 -3.740 1.00 0.00 C ATOM 0 H ALA A 72 -0.046 12.387 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 72 0.338 11.793 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.430 9.485 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.756 10.650 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.989 9.887 -4.743 1.00 0.00 H new ATOM 1085 N SER A 73 2.406 10.448 -3.490 1.00 0.00 N ATOM 1086 CA SER A 73 3.699 9.972 -3.954 1.00 0.00 C ATOM 1087 C SER A 73 4.170 8.766 -3.147 1.00 0.00 C ATOM 1088 O SER A 73 3.964 8.697 -1.933 1.00 0.00 O ATOM 1089 CB SER A 73 4.732 11.103 -3.902 1.00 0.00 C ATOM 1090 OG SER A 73 5.995 10.672 -4.383 1.00 0.00 O ATOM 0 H SER A 73 2.259 10.389 -2.482 1.00 0.00 H new ATOM 0 HA SER A 73 3.589 9.649 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.382 11.945 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.833 11.459 -2.877 1.00 0.00 H new ATOM 0 HG SER A 73 6.633 11.415 -4.339 1.00 0.00 H new ATOM 1096 N ILE A 74 4.800 7.821 -3.835 1.00 0.00 N ATOM 1097 CA ILE A 74 5.282 6.596 -3.220 1.00 0.00 C ATOM 1098 C ILE A 74 6.677 6.787 -2.628 1.00 0.00 C ATOM 1099 O ILE A 74 7.589 7.279 -3.297 1.00 0.00 O ATOM 1100 CB ILE A 74 5.328 5.435 -4.249 1.00 0.00 C ATOM 1101 CG1 ILE A 74 3.931 5.162 -4.811 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.902 4.172 -3.615 1.00 0.00 C ATOM 1103 CD1 ILE A 74 3.921 4.182 -5.967 1.00 0.00 C ATOM 0 H ILE A 74 4.990 7.885 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 74 4.584 6.345 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 74 5.981 5.733 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.297 4.776 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.491 6.103 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.925 3.372 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.914 4.369 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.278 3.871 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.897 4.038 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.528 4.575 -6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.331 3.227 -5.638 1.00 0.00 H new ATOM 1115 N ALA A 75 6.826 6.411 -1.374 1.00 0.00 N ATOM 1116 CA ALA A 75 8.098 6.480 -0.689 1.00 0.00 C ATOM 1117 C ALA A 75 8.292 5.227 0.146 1.00 0.00 C ATOM 1118 O ALA A 75 7.326 4.644 0.633 1.00 0.00 O ATOM 1119 CB ALA A 75 8.158 7.716 0.194 1.00 0.00 C ATOM 0 H ALA A 75 6.065 6.048 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 75 8.897 6.547 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.121 7.753 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.037 8.608 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.359 7.674 0.934 1.00 0.00 H new ATOM 1125 N GLU A 76 9.518 4.804 0.304 1.00 0.00 N ATOM 1126 CA GLU A 76 9.798 3.614 1.082 1.00 0.00 C ATOM 1127 C GLU A 76 10.529 3.979 2.355 1.00 0.00 C ATOM 1128 O GLU A 76 9.860 4.168 3.389 1.00 0.00 O ATOM 1129 CB GLU A 76 10.610 2.610 0.264 1.00 0.00 C ATOM 1130 CG GLU A 76 9.925 2.174 -1.020 1.00 0.00 C ATOM 1131 CD GLU A 76 10.734 1.167 -1.796 1.00 0.00 C ATOM 1132 OE1 GLU A 76 11.895 1.463 -2.134 1.00 0.00 O ATOM 1133 OE2 GLU A 76 10.208 0.070 -2.084 1.00 0.00 O ATOM 1134 OXT GLU A 76 11.763 4.106 2.316 1.00 0.00 O ATOM 0 H GLU A 76 10.340 5.260 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 76 8.850 3.146 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.576 3.051 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.808 1.731 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.952 1.746 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.743 3.048 -1.645 1.00 0.00 H new TER 1141 GLU A 76