USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.194 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 60:sc= -0.624 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.5) USER MOD Single : A 28 GLN : amide:sc= -8.12! C(o=-8.1!,f=-14!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -89:sc= -0.644! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -82:sc= 0.26 USER MOD Single : A 49 GLN : amide:sc=-0.00276 K(o=-0.0028,f=-0.65) USER MOD Single : A 51 ASN : amide:sc= -0.294 K(o=-0.29,f=-3.1!) USER MOD Single : A 57 MET CE :methyl 148:sc= -0.718 (180deg=-1.78!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.756 K(o=-0.76,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.87 X(o=-1.9,f=-1.6!) USER MOD Single : A 73 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -60:sc= -6.58! USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.69) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc=-0.00723 X(o=-0.0072,f=-0.011) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.131) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.108 -14.337 -20.372 1.00 0.00 N ATOM 2 CA GLY A 1 22.440 -15.373 -19.603 1.00 0.00 C ATOM 3 C GLY A 1 21.392 -16.096 -20.451 1.00 0.00 C ATOM 4 O GLY A 1 21.731 -16.955 -21.263 1.00 0.00 O ATOM 0 H1 GLY A 1 23.814 -13.862 -19.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.581 -14.765 -21.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.407 -13.642 -20.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.175 -16.090 -19.237 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.963 -14.931 -18.728 1.00 0.00 H new ATOM 8 N SER A 2 20.140 -15.721 -20.233 1.00 0.00 N ATOM 9 CA SER A 2 19.040 -16.323 -20.968 1.00 0.00 C ATOM 10 C SER A 2 17.859 -15.353 -21.030 1.00 0.00 C ATOM 11 O SER A 2 17.850 -14.336 -20.338 1.00 0.00 O ATOM 12 CB SER A 2 18.609 -17.644 -20.328 1.00 0.00 C ATOM 13 OG SER A 2 19.304 -18.758 -20.882 1.00 0.00 O ATOM 0 H SER A 2 19.863 -15.008 -19.558 1.00 0.00 H new ATOM 0 HA SER A 2 19.381 -16.535 -21.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.789 -17.602 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.536 -17.781 -20.466 1.00 0.00 H new ATOM 0 HG SER A 2 20.210 -18.485 -21.135 1.00 0.00 H new ATOM 19 N GLU A 3 16.891 -15.701 -21.865 1.00 0.00 N ATOM 20 CA GLU A 3 15.708 -14.874 -22.026 1.00 0.00 C ATOM 21 C GLU A 3 14.801 -15.000 -20.801 1.00 0.00 C ATOM 22 O GLU A 3 13.827 -15.751 -20.819 1.00 0.00 O ATOM 23 CB GLU A 3 14.954 -15.239 -23.306 1.00 0.00 C ATOM 24 CG GLU A 3 14.737 -14.006 -24.186 1.00 0.00 C ATOM 25 CD GLU A 3 13.896 -12.955 -23.459 1.00 0.00 C ATOM 26 OE1 GLU A 3 14.452 -12.326 -22.533 1.00 0.00 O ATOM 27 OE2 GLU A 3 12.717 -12.805 -23.845 1.00 0.00 O ATOM 0 H GLU A 3 16.902 -16.545 -22.437 1.00 0.00 H new ATOM 0 HA GLU A 3 16.025 -13.835 -22.114 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.515 -15.992 -23.860 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.991 -15.682 -23.051 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.701 -13.578 -24.463 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.240 -14.298 -25.111 1.00 0.00 H new ATOM 34 N GLY A 4 15.153 -14.254 -19.764 1.00 0.00 N ATOM 35 CA GLY A 4 14.383 -14.272 -18.532 1.00 0.00 C ATOM 36 C GLY A 4 14.146 -12.853 -18.012 1.00 0.00 C ATOM 37 O GLY A 4 13.753 -11.968 -18.770 1.00 0.00 O ATOM 0 H GLY A 4 15.962 -13.633 -19.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.426 -14.764 -18.704 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.911 -14.856 -17.778 1.00 0.00 H new ATOM 41 N ALA A 5 14.395 -12.681 -16.722 1.00 0.00 N ATOM 42 CA ALA A 5 14.214 -11.384 -16.092 1.00 0.00 C ATOM 43 C ALA A 5 15.305 -11.176 -15.040 1.00 0.00 C ATOM 44 O ALA A 5 16.097 -10.240 -15.137 1.00 0.00 O ATOM 45 CB ALA A 5 12.807 -11.298 -15.497 1.00 0.00 C ATOM 0 H ALA A 5 14.720 -13.418 -16.096 1.00 0.00 H new ATOM 0 HA ALA A 5 14.307 -10.584 -16.826 1.00 0.00 H new ATOM 0 HB1 ALA A 5 12.671 -10.325 -15.024 1.00 0.00 H new ATOM 0 HB2 ALA A 5 12.069 -11.423 -16.289 1.00 0.00 H new ATOM 0 HB3 ALA A 5 12.678 -12.084 -14.753 1.00 0.00 H new ATOM 51 N ALA A 6 15.312 -12.066 -14.057 1.00 0.00 N ATOM 52 CA ALA A 6 16.293 -11.991 -12.988 1.00 0.00 C ATOM 53 C ALA A 6 16.234 -10.606 -12.342 1.00 0.00 C ATOM 54 O ALA A 6 16.898 -9.676 -12.798 1.00 0.00 O ATOM 55 CB ALA A 6 17.681 -12.316 -13.544 1.00 0.00 C ATOM 0 H ALA A 6 14.654 -12.842 -13.979 1.00 0.00 H new ATOM 0 HA ALA A 6 16.072 -12.725 -12.213 1.00 0.00 H new ATOM 0 HB1 ALA A 6 18.417 -12.260 -12.742 1.00 0.00 H new ATOM 0 HB2 ALA A 6 17.678 -13.322 -13.964 1.00 0.00 H new ATOM 0 HB3 ALA A 6 17.938 -11.598 -14.323 1.00 0.00 H new ATOM 61 N THR A 7 15.432 -10.512 -11.291 1.00 0.00 N ATOM 62 CA THR A 7 15.277 -9.255 -10.578 1.00 0.00 C ATOM 63 C THR A 7 14.659 -9.496 -9.200 1.00 0.00 C ATOM 64 O THR A 7 13.589 -10.094 -9.092 1.00 0.00 O ATOM 65 CB THR A 7 14.454 -8.311 -11.457 1.00 0.00 C ATOM 66 OG1 THR A 7 14.485 -7.070 -10.758 1.00 0.00 O ATOM 67 CG2 THR A 7 12.971 -8.685 -11.488 1.00 0.00 C ATOM 0 H THR A 7 14.883 -11.286 -10.916 1.00 0.00 H new ATOM 0 HA THR A 7 16.243 -8.786 -10.388 1.00 0.00 H new ATOM 0 HB THR A 7 14.852 -8.320 -12.472 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.976 -6.399 -11.260 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.432 -7.984 -12.126 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.859 -9.695 -11.883 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.564 -8.643 -10.478 1.00 0.00 H new ATOM 75 N MET A 8 15.358 -9.019 -8.181 1.00 0.00 N ATOM 76 CA MET A 8 14.891 -9.176 -6.814 1.00 0.00 C ATOM 77 C MET A 8 14.098 -7.948 -6.362 1.00 0.00 C ATOM 78 O MET A 8 14.640 -6.846 -6.292 1.00 0.00 O ATOM 79 CB MET A 8 16.089 -9.381 -5.885 1.00 0.00 C ATOM 80 CG MET A 8 16.400 -10.870 -5.712 1.00 0.00 C ATOM 81 SD MET A 8 17.638 -11.376 -6.893 1.00 0.00 S ATOM 82 CE MET A 8 18.724 -12.306 -5.824 1.00 0.00 C ATOM 0 H MET A 8 16.245 -8.523 -8.274 1.00 0.00 H new ATOM 0 HA MET A 8 14.235 -10.045 -6.771 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.961 -8.868 -6.291 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.881 -8.934 -4.913 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.753 -11.061 -4.699 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.493 -11.458 -5.850 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.559 -12.697 -6.405 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.103 -11.656 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.173 -13.134 -5.377 1.00 0.00 H new ATOM 92 N SER A 9 12.828 -8.179 -6.066 1.00 0.00 N ATOM 93 CA SER A 9 11.955 -7.106 -5.622 1.00 0.00 C ATOM 94 C SER A 9 10.962 -7.634 -4.585 1.00 0.00 C ATOM 95 O SER A 9 10.689 -8.832 -4.535 1.00 0.00 O ATOM 96 CB SER A 9 11.209 -6.479 -6.801 1.00 0.00 C ATOM 97 OG SER A 9 10.338 -7.410 -7.437 1.00 0.00 O ATOM 0 H SER A 9 12.382 -9.094 -6.125 1.00 0.00 H new ATOM 0 HA SER A 9 12.571 -6.332 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.632 -5.623 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.929 -6.102 -7.527 1.00 0.00 H new ATOM 0 HG SER A 9 9.879 -6.971 -8.183 1.00 0.00 H new ATOM 103 N GLY A 10 10.447 -6.713 -3.783 1.00 0.00 N ATOM 104 CA GLY A 10 9.490 -7.071 -2.750 1.00 0.00 C ATOM 105 C GLY A 10 8.525 -5.916 -2.474 1.00 0.00 C ATOM 106 O GLY A 10 8.708 -5.165 -1.517 1.00 0.00 O ATOM 0 H GLY A 10 10.675 -5.720 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.929 -7.953 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.019 -7.334 -1.834 1.00 0.00 H new ATOM 110 N LEU A 11 7.518 -5.812 -3.328 1.00 0.00 N ATOM 111 CA LEU A 11 6.523 -4.761 -3.188 1.00 0.00 C ATOM 112 C LEU A 11 5.599 -5.093 -2.014 1.00 0.00 C ATOM 113 O LEU A 11 5.041 -6.187 -1.949 1.00 0.00 O ATOM 114 CB LEU A 11 5.784 -4.544 -4.509 1.00 0.00 C ATOM 115 CG LEU A 11 5.710 -3.098 -5.006 1.00 0.00 C ATOM 116 CD1 LEU A 11 4.831 -2.247 -4.088 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.110 -2.504 -5.173 1.00 0.00 C ATOM 0 H LEU A 11 7.369 -6.438 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 11 7.003 -3.810 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.268 -5.147 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.768 -4.923 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 11 5.241 -3.098 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.795 -1.224 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.823 -2.660 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.248 -2.249 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.029 -1.476 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.628 -2.518 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.672 -3.094 -5.897 1.00 0.00 H new ATOM 129 N ARG A 12 5.467 -4.128 -1.116 1.00 0.00 N ATOM 130 CA ARG A 12 4.621 -4.304 0.052 1.00 0.00 C ATOM 131 C ARG A 12 3.724 -3.080 0.247 1.00 0.00 C ATOM 132 O ARG A 12 4.208 -1.949 0.274 1.00 0.00 O ATOM 133 CB ARG A 12 5.460 -4.518 1.314 1.00 0.00 C ATOM 134 CG ARG A 12 6.366 -5.743 1.168 1.00 0.00 C ATOM 135 CD ARG A 12 6.552 -6.450 2.512 1.00 0.00 C ATOM 136 NE ARG A 12 7.992 -6.535 2.844 1.00 0.00 N ATOM 137 CZ ARG A 12 8.869 -7.311 2.192 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.457 -8.074 1.170 1.00 0.00 N ATOM 139 NH2 ARG A 12 10.156 -7.325 2.563 1.00 0.00 N ATOM 0 H ARG A 12 5.932 -3.222 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 12 4.005 -5.188 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.067 -3.633 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.803 -4.647 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.934 -6.435 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.336 -5.438 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.021 -5.907 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.121 -7.450 2.469 1.00 0.00 H new ATOM 0 HE ARG A 12 8.339 -5.967 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.477 -8.064 0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.124 -8.665 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.469 -6.745 3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.823 -7.916 2.067 1.00 0.00 H new ATOM 153 N VAL A 13 2.433 -3.347 0.377 1.00 0.00 N ATOM 154 CA VAL A 13 1.463 -2.282 0.568 1.00 0.00 C ATOM 155 C VAL A 13 0.971 -2.300 2.016 1.00 0.00 C ATOM 156 O VAL A 13 0.105 -3.098 2.372 1.00 0.00 O ATOM 157 CB VAL A 13 0.330 -2.417 -0.451 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.905 -1.632 -0.003 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.787 -1.974 -1.842 1.00 0.00 C ATOM 0 H VAL A 13 2.036 -4.286 0.354 1.00 0.00 H new ATOM 0 HA VAL A 13 1.924 -1.310 0.394 1.00 0.00 H new ATOM 0 HB VAL A 13 0.055 -3.470 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.696 -1.744 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.251 -2.015 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.649 -0.577 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.038 -2.080 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.102 -0.931 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.623 -2.595 -2.165 1.00 0.00 H new ATOM 169 N TYR A 14 1.544 -1.410 2.814 1.00 0.00 N ATOM 170 CA TYR A 14 1.174 -1.314 4.216 1.00 0.00 C ATOM 171 C TYR A 14 -0.186 -0.633 4.378 1.00 0.00 C ATOM 172 O TYR A 14 -0.269 0.593 4.427 1.00 0.00 O ATOM 173 CB TYR A 14 2.247 -0.446 4.876 1.00 0.00 C ATOM 174 CG TYR A 14 3.532 -1.201 5.223 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.423 -1.542 4.226 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.799 -1.542 6.534 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.632 -2.253 4.553 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.008 -2.253 6.861 1.00 0.00 C ATOM 179 CZ TYR A 14 5.865 -2.573 5.854 1.00 0.00 C ATOM 180 OH TYR A 14 7.007 -3.245 6.163 1.00 0.00 O ATOM 0 H TYR A 14 2.262 -0.749 2.516 1.00 0.00 H new ATOM 0 HA TYR A 14 1.104 -2.305 4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.492 0.380 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.837 -0.009 5.787 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.214 -1.276 3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.101 -1.276 7.314 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.338 -2.526 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.229 -2.526 7.882 1.00 0.00 H new ATOM 0 HH TYR A 14 7.041 -3.405 7.129 1.00 0.00 H new ATOM 190 N SER A 15 -1.219 -1.459 4.458 1.00 0.00 N ATOM 191 CA SER A 15 -2.572 -0.953 4.614 1.00 0.00 C ATOM 192 C SER A 15 -3.093 -1.274 6.016 1.00 0.00 C ATOM 193 O SER A 15 -2.542 -2.131 6.705 1.00 0.00 O ATOM 194 CB SER A 15 -3.506 -1.539 3.554 1.00 0.00 C ATOM 195 OG SER A 15 -3.048 -2.803 3.080 1.00 0.00 O ATOM 0 H SER A 15 -1.146 -2.476 4.418 1.00 0.00 H new ATOM 0 HA SER A 15 -2.549 0.129 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.506 -1.649 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.586 -0.845 2.717 1.00 0.00 H new ATOM 0 HG SER A 15 -2.998 -3.434 3.828 1.00 0.00 H new ATOM 201 N THR A 16 -4.149 -0.570 6.397 1.00 0.00 N ATOM 202 CA THR A 16 -4.750 -0.770 7.705 1.00 0.00 C ATOM 203 C THR A 16 -6.212 -1.198 7.560 1.00 0.00 C ATOM 204 O THR A 16 -6.860 -0.877 6.565 1.00 0.00 O ATOM 205 CB THR A 16 -4.571 0.519 8.509 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.186 0.233 9.763 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.393 1.680 7.947 1.00 0.00 C ATOM 0 H THR A 16 -4.604 0.140 5.823 1.00 0.00 H new ATOM 0 HA THR A 16 -4.260 -1.579 8.247 1.00 0.00 H new ATOM 0 HB THR A 16 -3.517 0.795 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.114 1.016 10.349 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.229 2.570 8.555 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.086 1.880 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.451 1.419 7.964 1.00 0.00 H new ATOM 215 N SER A 17 -6.687 -1.916 8.566 1.00 0.00 N ATOM 216 CA SER A 17 -8.060 -2.391 8.564 1.00 0.00 C ATOM 217 C SER A 17 -8.834 -1.762 9.724 1.00 0.00 C ATOM 218 O SER A 17 -10.017 -1.451 9.590 1.00 0.00 O ATOM 219 CB SER A 17 -8.116 -3.917 8.654 1.00 0.00 C ATOM 220 OG SER A 17 -8.989 -4.479 7.678 1.00 0.00 O ATOM 0 H SER A 17 -6.145 -2.181 9.389 1.00 0.00 H new ATOM 0 HA SER A 17 -8.523 -2.093 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.114 -4.325 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.450 -4.209 9.650 1.00 0.00 H new ATOM 0 HG SER A 17 -8.995 -5.455 7.768 1.00 0.00 H new ATOM 226 N VAL A 18 -8.135 -1.593 10.837 1.00 0.00 N ATOM 227 CA VAL A 18 -8.741 -1.006 12.020 1.00 0.00 C ATOM 228 C VAL A 18 -8.706 0.519 11.903 1.00 0.00 C ATOM 229 O VAL A 18 -8.105 1.195 12.737 1.00 0.00 O ATOM 230 CB VAL A 18 -8.044 -1.526 13.278 1.00 0.00 C ATOM 231 CG1 VAL A 18 -7.992 -3.056 13.284 1.00 0.00 C ATOM 232 CG2 VAL A 18 -6.641 -0.930 13.414 1.00 0.00 C ATOM 0 H VAL A 18 -7.154 -1.852 10.944 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.787 -1.301 12.099 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.629 -1.207 14.141 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.491 -3.399 14.189 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.006 -3.455 13.257 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.441 -3.405 12.410 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.168 -1.316 14.317 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.043 -1.205 12.545 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.712 0.156 13.477 1.00 0.00 H new ATOM 242 N THR A 19 -9.357 1.017 10.862 1.00 0.00 N ATOM 243 CA THR A 19 -9.407 2.449 10.626 1.00 0.00 C ATOM 244 C THR A 19 -10.854 2.909 10.442 1.00 0.00 C ATOM 245 O THR A 19 -11.739 2.096 10.178 1.00 0.00 O ATOM 246 CB THR A 19 -8.512 2.762 9.425 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.587 4.179 9.296 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.092 2.237 8.110 1.00 0.00 C ATOM 0 H THR A 19 -9.854 0.454 10.172 1.00 0.00 H new ATOM 0 HA THR A 19 -9.029 3.005 11.484 1.00 0.00 H new ATOM 0 HB THR A 19 -7.525 2.328 9.585 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.033 4.468 8.541 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.418 2.486 7.290 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.207 1.155 8.170 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.064 2.696 7.932 1.00 0.00 H new ATOM 256 N GLY A 20 -11.051 4.211 10.587 1.00 0.00 N ATOM 257 CA GLY A 20 -12.376 4.789 10.440 1.00 0.00 C ATOM 258 C GLY A 20 -12.426 5.750 9.250 1.00 0.00 C ATOM 259 O GLY A 20 -13.334 5.673 8.424 1.00 0.00 O ATOM 0 H GLY A 20 -10.315 4.882 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.110 3.995 10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.648 5.320 11.352 1.00 0.00 H new ATOM 263 N SER A 21 -11.439 6.632 9.201 1.00 0.00 N ATOM 264 CA SER A 21 -11.359 7.606 8.126 1.00 0.00 C ATOM 265 C SER A 21 -11.469 6.902 6.772 1.00 0.00 C ATOM 266 O SER A 21 -10.706 5.982 6.483 1.00 0.00 O ATOM 267 CB SER A 21 -10.058 8.407 8.203 1.00 0.00 C ATOM 268 OG SER A 21 -9.818 8.909 9.515 1.00 0.00 O ATOM 0 H SER A 21 -10.688 6.693 9.888 1.00 0.00 H new ATOM 0 HA SER A 21 -12.190 8.303 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.224 7.775 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.101 9.238 7.499 1.00 0.00 H new ATOM 0 HG SER A 21 -8.978 9.413 9.524 1.00 0.00 H new ATOM 274 N ARG A 22 -12.425 7.361 5.978 1.00 0.00 N ATOM 275 CA ARG A 22 -12.645 6.786 4.661 1.00 0.00 C ATOM 276 C ARG A 22 -11.496 7.158 3.721 1.00 0.00 C ATOM 277 O ARG A 22 -11.098 6.359 2.875 1.00 0.00 O ATOM 278 CB ARG A 22 -13.965 7.274 4.061 1.00 0.00 C ATOM 279 CG ARG A 22 -14.338 6.458 2.822 1.00 0.00 C ATOM 280 CD ARG A 22 -15.739 6.823 2.326 1.00 0.00 C ATOM 281 NE ARG A 22 -15.917 6.367 0.930 1.00 0.00 N ATOM 282 CZ ARG A 22 -16.832 6.865 0.087 1.00 0.00 C ATOM 283 NH1 ARG A 22 -17.659 7.838 0.495 1.00 0.00 N ATOM 284 NH2 ARG A 22 -16.921 6.390 -1.162 1.00 0.00 N ATOM 0 H ARG A 22 -13.056 8.124 6.221 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.689 5.703 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.758 7.196 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.880 8.328 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.610 6.638 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.297 5.394 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.492 6.363 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.885 7.901 2.386 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.305 5.627 0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.592 8.199 1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.356 8.217 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.292 5.649 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.618 6.769 -1.803 1.00 0.00 H new ATOM 298 N GLU A 23 -10.996 8.372 3.902 1.00 0.00 N ATOM 299 CA GLU A 23 -9.901 8.860 3.080 1.00 0.00 C ATOM 300 C GLU A 23 -8.765 7.835 3.047 1.00 0.00 C ATOM 301 O GLU A 23 -8.311 7.440 1.974 1.00 0.00 O ATOM 302 CB GLU A 23 -9.401 10.216 3.582 1.00 0.00 C ATOM 303 CG GLU A 23 -10.260 11.355 3.030 1.00 0.00 C ATOM 304 CD GLU A 23 -11.350 11.753 4.028 1.00 0.00 C ATOM 305 OE1 GLU A 23 -11.992 10.826 4.567 1.00 0.00 O ATOM 306 OE2 GLU A 23 -11.517 12.975 4.228 1.00 0.00 O ATOM 0 H GLU A 23 -11.329 9.032 4.605 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.269 8.999 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.422 10.235 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.363 10.359 3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.630 12.217 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.718 11.047 2.090 1.00 0.00 H new ATOM 313 N ILE A 24 -8.339 7.433 4.235 1.00 0.00 N ATOM 314 CA ILE A 24 -7.265 6.462 4.356 1.00 0.00 C ATOM 315 C ILE A 24 -7.603 5.227 3.517 1.00 0.00 C ATOM 316 O ILE A 24 -6.849 4.858 2.618 1.00 0.00 O ATOM 317 CB ILE A 24 -6.988 6.148 5.828 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.569 7.409 6.587 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.956 5.027 5.965 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.212 7.081 8.038 1.00 0.00 C ATOM 0 H ILE A 24 -8.718 7.762 5.123 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.335 6.872 3.962 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.913 5.791 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.713 7.868 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.379 8.138 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.778 4.824 7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.331 4.126 5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.023 5.332 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.918 7.994 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.078 6.645 8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.386 6.370 8.058 1.00 0.00 H new ATOM 332 N LYS A 25 -8.737 4.624 3.841 1.00 0.00 N ATOM 333 CA LYS A 25 -9.184 3.439 3.129 1.00 0.00 C ATOM 334 C LYS A 25 -9.086 3.687 1.623 1.00 0.00 C ATOM 335 O LYS A 25 -8.391 2.960 0.914 1.00 0.00 O ATOM 336 CB LYS A 25 -10.582 3.029 3.595 1.00 0.00 C ATOM 337 CG LYS A 25 -10.542 2.454 5.012 1.00 0.00 C ATOM 338 CD LYS A 25 -11.653 3.050 5.878 1.00 0.00 C ATOM 339 CE LYS A 25 -12.967 2.290 5.684 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.847 3.009 4.736 1.00 0.00 N ATOM 0 H LYS A 25 -9.360 4.934 4.587 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.537 2.592 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.246 3.893 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.995 2.288 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.650 1.370 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.572 2.661 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.360 3.014 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.795 4.100 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.762 1.287 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.472 2.175 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.734 2.480 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.057 3.957 5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.369 3.096 3.817 1.00 0.00 H new ATOM 354 N SER A 26 -9.791 4.716 1.178 1.00 0.00 N ATOM 355 CA SER A 26 -9.793 5.070 -0.232 1.00 0.00 C ATOM 356 C SER A 26 -8.378 4.953 -0.802 1.00 0.00 C ATOM 357 O SER A 26 -8.155 4.241 -1.779 1.00 0.00 O ATOM 358 CB SER A 26 -10.336 6.484 -0.445 1.00 0.00 C ATOM 359 OG SER A 26 -11.530 6.486 -1.222 1.00 0.00 O ATOM 0 H SER A 26 -10.366 5.317 1.769 1.00 0.00 H new ATOM 0 HA SER A 26 -10.449 4.376 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.532 6.946 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.580 7.092 -0.941 1.00 0.00 H new ATOM 0 HG SER A 26 -11.846 7.407 -1.334 1.00 0.00 H new ATOM 365 N GLN A 27 -7.458 5.663 -0.166 1.00 0.00 N ATOM 366 CA GLN A 27 -6.070 5.649 -0.597 1.00 0.00 C ATOM 367 C GLN A 27 -5.568 4.209 -0.720 1.00 0.00 C ATOM 368 O GLN A 27 -4.873 3.869 -1.677 1.00 0.00 O ATOM 369 CB GLN A 27 -5.190 6.457 0.358 1.00 0.00 C ATOM 370 CG GLN A 27 -5.387 7.959 0.147 1.00 0.00 C ATOM 371 CD GLN A 27 -5.465 8.695 1.486 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.937 8.259 2.496 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.151 9.834 1.439 1.00 0.00 N ATOM 0 H GLN A 27 -7.647 6.252 0.645 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.010 6.120 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.431 6.196 1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.143 6.198 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.563 8.358 -0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.300 8.133 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.568 10.142 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.260 10.399 2.281 1.00 0.00 H new ATOM 382 N GLN A 28 -5.939 3.401 0.262 1.00 0.00 N ATOM 383 CA GLN A 28 -5.534 2.005 0.276 1.00 0.00 C ATOM 384 C GLN A 28 -6.150 1.262 -0.911 1.00 0.00 C ATOM 385 O GLN A 28 -5.433 0.669 -1.716 1.00 0.00 O ATOM 386 CB GLN A 28 -5.916 1.337 1.599 1.00 0.00 C ATOM 387 CG GLN A 28 -5.366 2.124 2.790 1.00 0.00 C ATOM 388 CD GLN A 28 -6.173 1.835 4.057 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.728 2.721 4.686 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.206 0.549 4.396 1.00 0.00 N ATOM 0 H GLN A 28 -6.516 3.686 1.054 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.449 1.960 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.001 1.267 1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.528 0.319 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.321 1.862 2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.396 3.191 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.719 -0.142 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.718 0.254 5.227 1.00 0.00 H new ATOM 399 N SER A 29 -7.472 1.318 -0.983 1.00 0.00 N ATOM 400 CA SER A 29 -8.192 0.658 -2.059 1.00 0.00 C ATOM 401 C SER A 29 -7.640 1.110 -3.412 1.00 0.00 C ATOM 402 O SER A 29 -7.423 0.290 -4.303 1.00 0.00 O ATOM 403 CB SER A 29 -9.692 0.946 -1.975 1.00 0.00 C ATOM 404 OG SER A 29 -10.438 -0.213 -1.612 1.00 0.00 O ATOM 0 H SER A 29 -8.063 1.810 -0.313 1.00 0.00 H new ATOM 0 HA SER A 29 -8.050 -0.418 -1.957 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.869 1.735 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.044 1.318 -2.937 1.00 0.00 H new ATOM 0 HG SER A 29 -11.391 0.012 -1.567 1.00 0.00 H new ATOM 410 N GLU A 30 -7.428 2.413 -3.524 1.00 0.00 N ATOM 411 CA GLU A 30 -6.905 2.984 -4.754 1.00 0.00 C ATOM 412 C GLU A 30 -5.548 2.363 -5.092 1.00 0.00 C ATOM 413 O GLU A 30 -5.402 1.704 -6.120 1.00 0.00 O ATOM 414 CB GLU A 30 -6.802 4.507 -4.651 1.00 0.00 C ATOM 415 CG GLU A 30 -7.781 5.189 -5.608 1.00 0.00 C ATOM 416 CD GLU A 30 -7.172 6.461 -6.202 1.00 0.00 C ATOM 417 OE1 GLU A 30 -5.929 6.487 -6.333 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.962 7.378 -6.510 1.00 0.00 O ATOM 0 H GLU A 30 -7.609 3.090 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.599 2.754 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.010 4.821 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.784 4.823 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.050 4.501 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.701 5.435 -5.078 1.00 0.00 H new ATOM 425 N VAL A 31 -4.590 2.597 -4.208 1.00 0.00 N ATOM 426 CA VAL A 31 -3.250 2.069 -4.400 1.00 0.00 C ATOM 427 C VAL A 31 -3.342 0.638 -4.932 1.00 0.00 C ATOM 428 O VAL A 31 -2.818 0.335 -6.004 1.00 0.00 O ATOM 429 CB VAL A 31 -2.455 2.172 -3.096 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.179 1.331 -3.164 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.133 3.630 -2.764 1.00 0.00 C ATOM 0 H VAL A 31 -4.715 3.145 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.710 2.658 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.076 1.775 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.633 1.422 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.440 0.286 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.553 1.685 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.568 3.675 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.541 4.064 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.061 4.191 -2.653 1.00 0.00 H new ATOM 441 N THR A 32 -4.011 -0.206 -4.160 1.00 0.00 N ATOM 442 CA THR A 32 -4.178 -1.598 -4.541 1.00 0.00 C ATOM 443 C THR A 32 -4.812 -1.699 -5.929 1.00 0.00 C ATOM 444 O THR A 32 -4.394 -2.515 -6.749 1.00 0.00 O ATOM 445 CB THR A 32 -4.993 -2.292 -3.448 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.139 -1.461 -3.289 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.305 -2.243 -2.082 1.00 0.00 C ATOM 0 H THR A 32 -4.444 0.048 -3.272 1.00 0.00 H new ATOM 0 HA THR A 32 -3.216 -2.105 -4.621 1.00 0.00 H new ATOM 0 HB THR A 32 -5.166 -3.331 -3.730 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.953 -0.773 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.926 -2.750 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.337 -2.740 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.161 -1.204 -1.784 1.00 0.00 H new ATOM 455 N ARG A 33 -5.811 -0.857 -6.151 1.00 0.00 N ATOM 456 CA ARG A 33 -6.507 -0.840 -7.426 1.00 0.00 C ATOM 457 C ARG A 33 -5.509 -0.675 -8.574 1.00 0.00 C ATOM 458 O ARG A 33 -5.362 -1.567 -9.407 1.00 0.00 O ATOM 459 CB ARG A 33 -7.530 0.296 -7.481 1.00 0.00 C ATOM 460 CG ARG A 33 -8.700 -0.064 -8.398 1.00 0.00 C ATOM 461 CD ARG A 33 -8.560 0.619 -9.760 1.00 0.00 C ATOM 462 NE ARG A 33 -9.157 -0.229 -10.815 1.00 0.00 N ATOM 463 CZ ARG A 33 -9.267 0.136 -12.100 1.00 0.00 C ATOM 464 NH1 ARG A 33 -8.822 1.336 -12.496 1.00 0.00 N ATOM 465 NH2 ARG A 33 -9.822 -0.699 -12.989 1.00 0.00 N ATOM 0 H ARG A 33 -6.155 -0.181 -5.469 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.031 -1.790 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.901 0.505 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.049 1.206 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.742 -1.145 -8.532 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.638 0.236 -7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.053 1.591 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.508 0.799 -9.979 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.507 -1.149 -10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.399 1.972 -11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.906 1.614 -13.474 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.161 -1.613 -12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.906 -0.421 -13.967 1.00 0.00 H new ATOM 479 N ILE A 34 -4.848 0.474 -8.580 1.00 0.00 N ATOM 480 CA ILE A 34 -3.868 0.768 -9.611 1.00 0.00 C ATOM 481 C ILE A 34 -2.891 -0.403 -9.729 1.00 0.00 C ATOM 482 O ILE A 34 -2.666 -0.922 -10.822 1.00 0.00 O ATOM 483 CB ILE A 34 -3.188 2.111 -9.337 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.211 3.248 -9.312 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.065 2.373 -10.343 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.129 4.031 -8.000 1.00 0.00 C ATOM 0 H ILE A 34 -4.972 1.212 -7.887 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.356 0.876 -10.580 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.731 2.067 -8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.034 3.920 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.215 2.841 -9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.599 3.334 -10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.318 1.582 -10.269 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.477 2.390 -11.352 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.867 4.833 -8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.330 3.362 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.131 4.457 -7.892 1.00 0.00 H new ATOM 498 N LEU A 35 -2.335 -0.786 -8.588 1.00 0.00 N ATOM 499 CA LEU A 35 -1.387 -1.886 -8.550 1.00 0.00 C ATOM 500 C LEU A 35 -2.030 -3.129 -9.168 1.00 0.00 C ATOM 501 O LEU A 35 -1.379 -3.867 -9.906 1.00 0.00 O ATOM 502 CB LEU A 35 -0.876 -2.103 -7.124 1.00 0.00 C ATOM 503 CG LEU A 35 0.116 -1.061 -6.602 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.516 -1.362 -5.156 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.333 -0.952 -7.523 1.00 0.00 C ATOM 0 H LEU A 35 -2.523 -0.354 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.506 -1.651 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.734 -2.128 -6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.403 -3.084 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.377 -0.089 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.221 -0.607 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.371 -1.348 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.983 -2.346 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.022 -0.205 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.836 -1.917 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.009 -0.656 -8.521 1.00 0.00 H new ATOM 517 N ASP A 36 -3.300 -3.323 -8.844 1.00 0.00 N ATOM 518 CA ASP A 36 -4.038 -4.464 -9.358 1.00 0.00 C ATOM 519 C ASP A 36 -4.110 -4.374 -10.884 1.00 0.00 C ATOM 520 O ASP A 36 -3.709 -5.302 -11.584 1.00 0.00 O ATOM 521 CB ASP A 36 -5.469 -4.484 -8.818 1.00 0.00 C ATOM 522 CG ASP A 36 -5.806 -5.680 -7.924 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.074 -6.688 -8.025 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.788 -5.559 -7.161 1.00 0.00 O ATOM 0 H ASP A 36 -3.837 -2.709 -8.232 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.521 -5.370 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.641 -3.568 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.160 -4.474 -9.661 1.00 0.00 H new ATOM 529 N GLY A 37 -4.626 -3.247 -11.354 1.00 0.00 N ATOM 530 CA GLY A 37 -4.756 -3.023 -12.784 1.00 0.00 C ATOM 531 C GLY A 37 -3.395 -3.104 -13.478 1.00 0.00 C ATOM 532 O GLY A 37 -3.270 -3.715 -14.539 1.00 0.00 O ATOM 0 H GLY A 37 -4.959 -2.480 -10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.431 -3.764 -13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.202 -2.045 -12.963 1.00 0.00 H new ATOM 536 N LYS A 38 -2.409 -2.480 -12.851 1.00 0.00 N ATOM 537 CA LYS A 38 -1.061 -2.474 -13.395 1.00 0.00 C ATOM 538 C LYS A 38 -0.483 -3.889 -13.330 1.00 0.00 C ATOM 539 O LYS A 38 0.572 -4.158 -13.901 1.00 0.00 O ATOM 540 CB LYS A 38 -0.202 -1.425 -12.686 1.00 0.00 C ATOM 541 CG LYS A 38 -0.759 -0.018 -12.908 1.00 0.00 C ATOM 542 CD LYS A 38 0.303 0.903 -13.513 1.00 0.00 C ATOM 543 CE LYS A 38 -0.200 2.346 -13.586 1.00 0.00 C ATOM 544 NZ LYS A 38 0.204 2.972 -14.865 1.00 0.00 N ATOM 0 H LYS A 38 -2.516 -1.975 -11.971 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.075 -2.183 -14.445 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.166 -1.641 -11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.822 -1.477 -13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.624 -0.066 -13.570 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.105 0.394 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.211 0.861 -12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.565 0.555 -14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.286 2.364 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.201 2.920 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.145 3.951 -14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.241 2.972 -14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.200 2.433 -15.658 1.00 0.00 H new ATOM 558 N ARG A 39 -1.201 -4.755 -12.630 1.00 0.00 N ATOM 559 CA ARG A 39 -0.772 -6.136 -12.484 1.00 0.00 C ATOM 560 C ARG A 39 0.635 -6.194 -11.887 1.00 0.00 C ATOM 561 O ARG A 39 1.510 -6.878 -12.417 1.00 0.00 O ATOM 562 CB ARG A 39 -0.778 -6.860 -13.831 1.00 0.00 C ATOM 563 CG ARG A 39 -2.182 -6.878 -14.438 1.00 0.00 C ATOM 564 CD ARG A 39 -2.921 -8.168 -14.075 1.00 0.00 C ATOM 565 NE ARG A 39 -4.209 -8.235 -14.799 1.00 0.00 N ATOM 566 CZ ARG A 39 -5.166 -9.140 -14.549 1.00 0.00 C ATOM 567 NH1 ARG A 39 -4.985 -10.058 -13.590 1.00 0.00 N ATOM 568 NH2 ARG A 39 -6.303 -9.125 -15.257 1.00 0.00 N ATOM 0 H ARG A 39 -2.076 -4.528 -12.158 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.475 -6.633 -11.815 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.088 -6.367 -14.516 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.421 -7.882 -13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.748 -6.018 -14.080 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.114 -6.786 -15.522 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.307 -9.032 -14.328 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.097 -8.206 -13.000 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.380 -7.550 -15.535 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.119 -10.068 -13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.713 -10.747 -13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.441 -8.425 -15.986 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.031 -9.813 -15.067 1.00 0.00 H new ATOM 582 N ILE A 40 0.810 -5.468 -10.793 1.00 0.00 N ATOM 583 CA ILE A 40 2.097 -5.428 -10.119 1.00 0.00 C ATOM 584 C ILE A 40 2.121 -6.486 -9.013 1.00 0.00 C ATOM 585 O ILE A 40 1.120 -6.700 -8.332 1.00 0.00 O ATOM 586 CB ILE A 40 2.398 -4.013 -9.622 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.663 -3.066 -10.793 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.551 -4.019 -8.616 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.789 -1.619 -10.311 1.00 0.00 C ATOM 0 H ILE A 40 0.082 -4.903 -10.356 1.00 0.00 H new ATOM 0 HA ILE A 40 2.899 -5.674 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 40 1.517 -3.639 -9.099 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.578 -3.363 -11.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.852 -3.142 -11.518 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.745 -3.001 -8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.285 -4.640 -7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.446 -4.420 -9.091 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.977 -0.967 -11.164 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.864 -1.317 -9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.616 -1.541 -9.605 1.00 0.00 H new ATOM 601 N GLN A 41 3.276 -7.121 -8.871 1.00 0.00 N ATOM 602 CA GLN A 41 3.443 -8.151 -7.860 1.00 0.00 C ATOM 603 C GLN A 41 3.795 -7.519 -6.511 1.00 0.00 C ATOM 604 O GLN A 41 4.890 -6.989 -6.337 1.00 0.00 O ATOM 605 CB GLN A 41 4.507 -9.166 -8.284 1.00 0.00 C ATOM 606 CG GLN A 41 3.884 -10.542 -8.531 1.00 0.00 C ATOM 607 CD GLN A 41 4.362 -11.555 -7.489 1.00 0.00 C ATOM 608 OE1 GLN A 41 3.910 -11.581 -6.357 1.00 0.00 O ATOM 609 NE2 GLN A 41 5.301 -12.386 -7.934 1.00 0.00 N ATOM 0 H GLN A 41 4.104 -6.942 -9.439 1.00 0.00 H new ATOM 0 HA GLN A 41 2.499 -8.685 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.004 -8.820 -9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.271 -9.242 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.797 -10.465 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.147 -10.890 -9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.636 -12.310 -8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.686 -13.099 -7.315 1.00 0.00 H new ATOM 618 N TYR A 42 2.844 -7.598 -5.592 1.00 0.00 N ATOM 619 CA TYR A 42 3.039 -7.041 -4.264 1.00 0.00 C ATOM 620 C TYR A 42 2.272 -7.846 -3.214 1.00 0.00 C ATOM 621 O TYR A 42 1.472 -8.716 -3.555 1.00 0.00 O ATOM 622 CB TYR A 42 2.472 -5.620 -4.316 1.00 0.00 C ATOM 623 CG TYR A 42 0.945 -5.557 -4.244 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.302 -5.752 -3.038 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.210 -5.305 -5.384 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.135 -5.692 -2.970 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.227 -5.246 -5.316 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.828 -5.442 -4.113 1.00 0.00 C ATOM 629 OH TYR A 42 -3.186 -5.386 -4.048 1.00 0.00 O ATOM 0 H TYR A 42 1.936 -8.039 -5.741 1.00 0.00 H new ATOM 0 HA TYR A 42 4.094 -7.060 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.889 -5.043 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.802 -5.141 -5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.877 -5.950 -2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.713 -5.152 -6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.651 -5.842 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.814 -5.050 -6.201 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.549 -5.199 -4.939 1.00 0.00 H new ATOM 639 N GLN A 43 2.542 -7.527 -1.956 1.00 0.00 N ATOM 640 CA GLN A 43 1.887 -8.209 -0.854 1.00 0.00 C ATOM 641 C GLN A 43 1.246 -7.193 0.094 1.00 0.00 C ATOM 642 O GLN A 43 1.905 -6.256 0.543 1.00 0.00 O ATOM 643 CB GLN A 43 2.871 -9.112 -0.106 1.00 0.00 C ATOM 644 CG GLN A 43 2.156 -10.326 0.490 1.00 0.00 C ATOM 645 CD GLN A 43 3.160 -11.400 0.914 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.776 -12.068 0.100 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.291 -11.528 2.232 1.00 0.00 N ATOM 0 H GLN A 43 3.206 -6.805 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 43 1.100 -8.843 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.654 -9.445 -0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.358 -8.546 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.563 -10.017 1.351 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.463 -10.740 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.745 -10.937 2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.937 -12.217 2.616 1.00 0.00 H new ATOM 656 N LEU A 44 -0.030 -7.414 0.371 1.00 0.00 N ATOM 657 CA LEU A 44 -0.768 -6.529 1.257 1.00 0.00 C ATOM 658 C LEU A 44 -0.379 -6.827 2.707 1.00 0.00 C ATOM 659 O LEU A 44 -0.639 -7.919 3.211 1.00 0.00 O ATOM 660 CB LEU A 44 -2.270 -6.633 0.989 1.00 0.00 C ATOM 661 CG LEU A 44 -3.037 -5.310 0.948 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.620 -5.057 -0.444 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.112 -5.265 2.036 1.00 0.00 C ATOM 0 H LEU A 44 -0.572 -8.193 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.505 -5.489 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.415 -7.144 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.714 -7.264 1.759 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.335 -4.502 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.160 -4.110 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.812 -5.015 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.303 -5.865 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.642 -4.314 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.817 -6.082 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.643 -5.367 3.015 1.00 0.00 H new ATOM 675 N VAL A 45 0.237 -5.838 3.336 1.00 0.00 N ATOM 676 CA VAL A 45 0.664 -5.980 4.718 1.00 0.00 C ATOM 677 C VAL A 45 -0.334 -5.265 5.631 1.00 0.00 C ATOM 678 O VAL A 45 -0.617 -4.083 5.443 1.00 0.00 O ATOM 679 CB VAL A 45 2.096 -5.466 4.879 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.511 -5.453 6.351 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.073 -6.294 4.041 1.00 0.00 C ATOM 0 H VAL A 45 0.451 -4.934 2.914 1.00 0.00 H new ATOM 0 HA VAL A 45 0.676 -7.031 5.008 1.00 0.00 H new ATOM 0 HB VAL A 45 2.127 -4.440 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.533 -5.084 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.841 -4.802 6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.455 -6.464 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.084 -5.908 4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.037 -7.335 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.795 -6.230 2.989 1.00 0.00 H new ATOM 691 N ASP A 46 -0.839 -6.013 6.602 1.00 0.00 N ATOM 692 CA ASP A 46 -1.799 -5.465 7.545 1.00 0.00 C ATOM 693 C ASP A 46 -1.062 -4.993 8.800 1.00 0.00 C ATOM 694 O ASP A 46 -0.521 -5.805 9.549 1.00 0.00 O ATOM 695 CB ASP A 46 -2.821 -6.523 7.967 1.00 0.00 C ATOM 696 CG ASP A 46 -3.836 -6.060 9.014 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.577 -5.001 9.627 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.848 -6.775 9.179 1.00 0.00 O ATOM 0 H ASP A 46 -0.601 -6.993 6.756 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.316 -4.638 7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.362 -6.858 7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.286 -7.388 8.359 1.00 0.00 H new ATOM 703 N ILE A 47 -1.065 -3.682 8.991 1.00 0.00 N ATOM 704 CA ILE A 47 -0.404 -3.092 10.142 1.00 0.00 C ATOM 705 C ILE A 47 -1.292 -3.259 11.376 1.00 0.00 C ATOM 706 O ILE A 47 -0.791 -3.375 12.494 1.00 0.00 O ATOM 707 CB ILE A 47 -0.020 -1.639 9.853 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.263 -0.750 9.768 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.843 -1.540 8.594 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.894 0.667 9.324 1.00 0.00 C ATOM 0 H ILE A 47 -1.515 -3.012 8.368 1.00 0.00 H new ATOM 0 HA ILE A 47 0.532 -3.610 10.350 1.00 0.00 H new ATOM 0 HB ILE A 47 0.582 -1.273 10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.976 -1.181 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.756 -0.714 10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.102 -0.497 8.411 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.755 -2.121 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.288 -1.931 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.795 1.278 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.200 1.104 10.042 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.423 0.630 8.341 1.00 0.00 H new ATOM 722 N SER A 48 -2.594 -3.268 11.133 1.00 0.00 N ATOM 723 CA SER A 48 -3.556 -3.419 12.211 1.00 0.00 C ATOM 724 C SER A 48 -3.375 -4.780 12.887 1.00 0.00 C ATOM 725 O SER A 48 -3.835 -4.986 14.009 1.00 0.00 O ATOM 726 CB SER A 48 -4.989 -3.270 11.695 1.00 0.00 C ATOM 727 OG SER A 48 -5.448 -4.451 11.043 1.00 0.00 O ATOM 0 H SER A 48 -3.006 -3.173 10.205 1.00 0.00 H new ATOM 0 HA SER A 48 -3.377 -2.630 12.942 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.652 -3.035 12.528 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.039 -2.431 11.002 1.00 0.00 H new ATOM 0 HG SER A 48 -5.122 -4.462 10.119 1.00 0.00 H new ATOM 733 N GLN A 49 -2.703 -5.673 12.175 1.00 0.00 N ATOM 734 CA GLN A 49 -2.455 -7.008 12.693 1.00 0.00 C ATOM 735 C GLN A 49 -1.472 -6.950 13.864 1.00 0.00 C ATOM 736 O GLN A 49 -1.775 -7.425 14.957 1.00 0.00 O ATOM 737 CB GLN A 49 -1.939 -7.936 11.591 1.00 0.00 C ATOM 738 CG GLN A 49 -3.077 -8.774 11.003 1.00 0.00 C ATOM 739 CD GLN A 49 -3.241 -10.089 11.768 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.286 -10.127 12.987 1.00 0.00 O ATOM 741 NE2 GLN A 49 -3.327 -11.162 10.987 1.00 0.00 N ATOM 0 H GLN A 49 -2.323 -5.499 11.245 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.398 -7.416 13.056 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.472 -7.346 10.802 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.169 -8.594 11.995 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.008 -8.208 11.042 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.874 -8.983 9.953 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.282 -11.060 9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.438 -12.087 11.402 1.00 0.00 H new ATOM 750 N ASP A 50 -0.315 -6.362 13.595 1.00 0.00 N ATOM 751 CA ASP A 50 0.714 -6.235 14.614 1.00 0.00 C ATOM 752 C ASP A 50 1.008 -4.753 14.853 1.00 0.00 C ATOM 753 O ASP A 50 1.495 -4.061 13.961 1.00 0.00 O ATOM 754 CB ASP A 50 2.014 -6.909 14.170 1.00 0.00 C ATOM 755 CG ASP A 50 2.728 -7.714 15.257 1.00 0.00 C ATOM 756 OD1 ASP A 50 2.010 -8.269 16.117 1.00 0.00 O ATOM 757 OD2 ASP A 50 3.976 -7.757 15.204 1.00 0.00 O ATOM 0 H ASP A 50 -0.067 -5.969 12.687 1.00 0.00 H new ATOM 0 HA ASP A 50 0.351 -6.715 15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.795 -7.572 13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.695 -6.143 13.800 1.00 0.00 H new ATOM 762 N ASN A 51 0.699 -4.309 16.063 1.00 0.00 N ATOM 763 CA ASN A 51 0.924 -2.922 16.431 1.00 0.00 C ATOM 764 C ASN A 51 2.317 -2.494 15.964 1.00 0.00 C ATOM 765 O ASN A 51 2.520 -1.344 15.578 1.00 0.00 O ATOM 766 CB ASN A 51 0.856 -2.737 17.948 1.00 0.00 C ATOM 767 CG ASN A 51 -0.058 -1.566 18.317 1.00 0.00 C ATOM 768 OD1 ASN A 51 -0.601 -0.877 17.470 1.00 0.00 O ATOM 769 ND2 ASN A 51 -0.197 -1.381 19.627 1.00 0.00 N ATOM 0 H ASN A 51 0.295 -4.886 16.801 1.00 0.00 H new ATOM 0 HA ASN A 51 0.149 -2.318 15.959 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.488 -3.651 18.413 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.857 -2.560 18.342 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.787 -0.625 19.976 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.286 -1.995 20.283 1.00 0.00 H new ATOM 776 N ALA A 52 3.241 -3.443 16.016 1.00 0.00 N ATOM 777 CA ALA A 52 4.609 -3.179 15.603 1.00 0.00 C ATOM 778 C ALA A 52 4.604 -2.555 14.206 1.00 0.00 C ATOM 779 O ALA A 52 5.121 -1.457 14.011 1.00 0.00 O ATOM 780 CB ALA A 52 5.418 -4.476 15.661 1.00 0.00 C ATOM 0 H ALA A 52 3.069 -4.395 16.338 1.00 0.00 H new ATOM 0 HA ALA A 52 5.084 -2.468 16.279 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.444 -4.279 15.351 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.414 -4.862 16.680 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.973 -5.213 14.993 1.00 0.00 H new ATOM 786 N LEU A 53 4.014 -3.284 13.270 1.00 0.00 N ATOM 787 CA LEU A 53 3.935 -2.816 11.897 1.00 0.00 C ATOM 788 C LEU A 53 3.630 -1.317 11.890 1.00 0.00 C ATOM 789 O LEU A 53 4.388 -0.528 11.328 1.00 0.00 O ATOM 790 CB LEU A 53 2.929 -3.652 11.103 1.00 0.00 C ATOM 791 CG LEU A 53 3.348 -5.090 10.793 1.00 0.00 C ATOM 792 CD1 LEU A 53 2.137 -6.025 10.787 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.135 -5.162 9.483 1.00 0.00 C ATOM 0 H LEU A 53 3.586 -4.195 13.436 1.00 0.00 H new ATOM 0 HA LEU A 53 4.893 -2.949 11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.991 -3.680 11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.727 -3.142 10.161 1.00 0.00 H new ATOM 0 HG LEU A 53 4.013 -5.430 11.587 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.463 -7.041 10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.657 -6.004 11.765 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.428 -5.697 10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.421 -6.195 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.515 -4.795 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.031 -4.547 9.563 1.00 0.00 H new ATOM 805 N ARG A 54 2.518 -0.969 12.521 1.00 0.00 N ATOM 806 CA ARG A 54 2.103 0.422 12.595 1.00 0.00 C ATOM 807 C ARG A 54 3.320 1.329 12.789 1.00 0.00 C ATOM 808 O ARG A 54 3.432 2.370 12.143 1.00 0.00 O ATOM 809 CB ARG A 54 1.121 0.643 13.747 1.00 0.00 C ATOM 810 CG ARG A 54 0.191 1.823 13.456 1.00 0.00 C ATOM 811 CD ARG A 54 -1.185 1.605 14.088 1.00 0.00 C ATOM 812 NE ARG A 54 -1.422 2.615 15.144 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.308 2.468 16.138 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.047 1.353 16.219 1.00 0.00 N ATOM 815 NH2 ARG A 54 -2.457 3.437 17.052 1.00 0.00 N ATOM 0 H ARG A 54 1.892 -1.626 12.986 1.00 0.00 H new ATOM 0 HA ARG A 54 1.606 0.671 11.657 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.531 -0.260 13.905 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.672 0.828 14.669 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.631 2.742 13.843 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.084 1.950 12.379 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.960 1.676 13.325 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.245 0.603 14.512 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.877 3.476 15.113 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.935 0.615 15.523 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.721 1.242 16.976 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.896 4.287 16.991 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.132 3.325 17.809 1.00 0.00 H new ATOM 829 N ASP A 55 4.200 0.902 13.683 1.00 0.00 N ATOM 830 CA ASP A 55 5.404 1.662 13.970 1.00 0.00 C ATOM 831 C ASP A 55 6.425 1.434 12.854 1.00 0.00 C ATOM 832 O ASP A 55 6.812 2.373 12.160 1.00 0.00 O ATOM 833 CB ASP A 55 6.037 1.214 15.289 1.00 0.00 C ATOM 834 CG ASP A 55 6.919 2.261 15.972 1.00 0.00 C ATOM 835 OD1 ASP A 55 8.131 2.270 15.664 1.00 0.00 O ATOM 836 OD2 ASP A 55 6.362 3.028 16.787 1.00 0.00 O ATOM 0 H ASP A 55 4.103 0.039 14.218 1.00 0.00 H new ATOM 0 HA ASP A 55 5.129 2.714 14.041 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.242 0.926 15.977 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.636 0.322 15.103 1.00 0.00 H new ATOM 841 N GLU A 56 6.833 0.181 12.716 1.00 0.00 N ATOM 842 CA GLU A 56 7.801 -0.182 11.695 1.00 0.00 C ATOM 843 C GLU A 56 7.532 0.597 10.406 1.00 0.00 C ATOM 844 O GLU A 56 8.456 1.139 9.800 1.00 0.00 O ATOM 845 CB GLU A 56 7.787 -1.690 11.438 1.00 0.00 C ATOM 846 CG GLU A 56 8.732 -2.419 12.395 1.00 0.00 C ATOM 847 CD GLU A 56 7.947 -3.202 13.449 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.260 -4.166 13.046 1.00 0.00 O ATOM 849 OE2 GLU A 56 8.052 -2.820 14.635 1.00 0.00 O ATOM 0 H GLU A 56 6.511 -0.595 13.294 1.00 0.00 H new ATOM 0 HA GLU A 56 8.795 0.083 12.055 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.774 -2.074 11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.082 -1.890 10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.371 -3.099 11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.387 -1.698 12.885 1.00 0.00 H new ATOM 856 N MET A 57 6.264 0.629 10.026 1.00 0.00 N ATOM 857 CA MET A 57 5.862 1.333 8.820 1.00 0.00 C ATOM 858 C MET A 57 6.229 2.816 8.902 1.00 0.00 C ATOM 859 O MET A 57 6.769 3.379 7.951 1.00 0.00 O ATOM 860 CB MET A 57 4.351 1.191 8.625 1.00 0.00 C ATOM 861 CG MET A 57 3.911 1.795 7.290 1.00 0.00 C ATOM 862 SD MET A 57 2.184 2.241 7.362 1.00 0.00 S ATOM 863 CE MET A 57 2.251 3.551 8.572 1.00 0.00 C ATOM 0 H MET A 57 5.501 0.179 10.532 1.00 0.00 H new ATOM 0 HA MET A 57 6.389 0.894 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.074 0.137 8.661 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.827 1.686 9.443 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.513 2.675 7.063 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.077 1.079 6.485 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.480 4.289 8.352 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.083 3.137 9.566 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.231 4.028 8.538 1.00 0.00 H new ATOM 873 N ARG A 58 5.922 3.406 10.048 1.00 0.00 N ATOM 874 CA ARG A 58 6.213 4.812 10.267 1.00 0.00 C ATOM 875 C ARG A 58 7.723 5.057 10.214 1.00 0.00 C ATOM 876 O ARG A 58 8.179 6.008 9.583 1.00 0.00 O ATOM 877 CB ARG A 58 5.675 5.282 11.620 1.00 0.00 C ATOM 878 CG ARG A 58 4.311 5.957 11.463 1.00 0.00 C ATOM 879 CD ARG A 58 3.309 5.415 12.484 1.00 0.00 C ATOM 880 NE ARG A 58 2.088 4.943 11.794 1.00 0.00 N ATOM 881 CZ ARG A 58 0.894 4.808 12.388 1.00 0.00 C ATOM 882 NH1 ARG A 58 0.754 5.108 13.686 1.00 0.00 N ATOM 883 NH2 ARG A 58 -0.159 4.373 11.683 1.00 0.00 N ATOM 0 H ARG A 58 5.475 2.935 10.835 1.00 0.00 H new ATOM 0 HA ARG A 58 5.721 5.379 9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.588 4.432 12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.380 5.979 12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.418 7.034 11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.933 5.791 10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.758 4.597 13.047 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.053 6.193 13.203 1.00 0.00 H new ATOM 0 HE ARG A 58 2.159 4.706 10.805 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.556 5.439 14.222 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.155 5.005 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.052 4.145 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.068 4.270 12.135 1.00 0.00 H new ATOM 897 N THR A 59 8.455 4.180 10.886 1.00 0.00 N ATOM 898 CA THR A 59 9.904 4.289 10.923 1.00 0.00 C ATOM 899 C THR A 59 10.469 4.372 9.504 1.00 0.00 C ATOM 900 O THR A 59 11.150 5.337 9.158 1.00 0.00 O ATOM 901 CB THR A 59 10.446 3.104 11.724 1.00 0.00 C ATOM 902 OG1 THR A 59 10.195 3.458 13.082 1.00 0.00 O ATOM 903 CG2 THR A 59 11.970 2.992 11.645 1.00 0.00 C ATOM 0 H THR A 59 8.072 3.392 11.408 1.00 0.00 H new ATOM 0 HA THR A 59 10.219 5.207 11.419 1.00 0.00 H new ATOM 0 HB THR A 59 9.994 2.182 11.358 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.514 2.743 13.671 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.303 2.135 12.231 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.272 2.861 10.606 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.423 3.901 12.042 1.00 0.00 H new ATOM 911 N LEU A 60 10.166 3.348 8.719 1.00 0.00 N ATOM 912 CA LEU A 60 10.636 3.294 7.345 1.00 0.00 C ATOM 913 C LEU A 60 10.197 4.562 6.610 1.00 0.00 C ATOM 914 O LEU A 60 11.023 5.265 6.031 1.00 0.00 O ATOM 915 CB LEU A 60 10.172 2.001 6.672 1.00 0.00 C ATOM 916 CG LEU A 60 10.416 0.710 7.457 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.179 -0.189 7.433 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.662 -0.016 6.945 1.00 0.00 C ATOM 0 H LEU A 60 9.601 2.550 9.008 1.00 0.00 H new ATOM 0 HA LEU A 60 11.725 3.269 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.104 2.083 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.673 1.917 5.708 1.00 0.00 H new ATOM 0 HG LEU A 60 10.602 0.974 8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.380 -1.099 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.337 0.338 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.937 -0.448 6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.813 -0.930 7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.530 -0.267 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.532 0.631 7.058 1.00 0.00 H new ATOM 930 N ALA A 61 8.897 4.815 6.658 1.00 0.00 N ATOM 931 CA ALA A 61 8.338 5.986 6.004 1.00 0.00 C ATOM 932 C ALA A 61 9.186 7.211 6.349 1.00 0.00 C ATOM 933 O ALA A 61 9.358 8.105 5.522 1.00 0.00 O ATOM 934 CB ALA A 61 6.875 6.153 6.419 1.00 0.00 C ATOM 0 H ALA A 61 8.215 4.229 7.140 1.00 0.00 H new ATOM 0 HA ALA A 61 8.358 5.867 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.456 7.031 5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.310 5.269 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.816 6.278 7.500 1.00 0.00 H new ATOM 940 N GLY A 62 9.694 7.214 7.573 1.00 0.00 N ATOM 941 CA GLY A 62 10.520 8.315 8.039 1.00 0.00 C ATOM 942 C GLY A 62 9.669 9.391 8.716 1.00 0.00 C ATOM 943 O GLY A 62 9.907 10.583 8.532 1.00 0.00 O ATOM 0 H GLY A 62 9.549 6.471 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.267 7.943 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.061 8.750 7.198 1.00 0.00 H new ATOM 947 N ASN A 63 8.693 8.930 9.486 1.00 0.00 N ATOM 948 CA ASN A 63 7.805 9.838 10.192 1.00 0.00 C ATOM 949 C ASN A 63 6.883 9.032 11.109 1.00 0.00 C ATOM 950 O ASN A 63 6.242 8.080 10.668 1.00 0.00 O ATOM 951 CB ASN A 63 6.931 10.625 9.214 1.00 0.00 C ATOM 952 CG ASN A 63 6.593 12.009 9.771 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.379 12.941 9.708 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.384 12.092 10.319 1.00 0.00 N ATOM 0 H ASN A 63 8.498 7.940 9.636 1.00 0.00 H new ATOM 0 HA ASN A 63 8.419 10.533 10.765 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.449 10.730 8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.011 10.074 9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.065 12.974 10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.776 11.273 10.339 1.00 0.00 H new ATOM 961 N PRO A 64 6.844 9.455 12.401 1.00 0.00 N ATOM 962 CA PRO A 64 6.010 8.784 13.383 1.00 0.00 C ATOM 963 C PRO A 64 4.536 9.140 13.186 1.00 0.00 C ATOM 964 O PRO A 64 3.654 8.329 13.468 1.00 0.00 O ATOM 965 CB PRO A 64 6.554 9.229 14.731 1.00 0.00 C ATOM 966 CG PRO A 64 7.364 10.487 14.459 1.00 0.00 C ATOM 967 CD PRO A 64 7.590 10.580 12.958 1.00 0.00 C ATOM 0 HA PRO A 64 6.045 7.698 13.293 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.744 9.430 15.432 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.176 8.453 15.177 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.834 11.368 14.821 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.317 10.449 14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.230 11.529 12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.650 10.513 12.712 1.00 0.00 H new ATOM 975 N LYS A 65 4.312 10.353 12.704 1.00 0.00 N ATOM 976 CA LYS A 65 2.959 10.827 12.466 1.00 0.00 C ATOM 977 C LYS A 65 2.561 10.514 11.022 1.00 0.00 C ATOM 978 O LYS A 65 1.923 11.331 10.360 1.00 0.00 O ATOM 979 CB LYS A 65 2.838 12.308 12.831 1.00 0.00 C ATOM 980 CG LYS A 65 2.340 12.479 14.267 1.00 0.00 C ATOM 981 CD LYS A 65 0.879 12.932 14.291 1.00 0.00 C ATOM 982 CE LYS A 65 0.635 13.940 15.416 1.00 0.00 C ATOM 983 NZ LYS A 65 -0.761 14.429 15.381 1.00 0.00 N ATOM 0 H LYS A 65 5.045 11.023 12.471 1.00 0.00 H new ATOM 0 HA LYS A 65 2.253 10.305 13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.807 12.795 12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.151 12.801 12.143 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.441 11.537 14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.960 13.210 14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.618 13.381 13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.229 12.068 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.839 13.474 16.380 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.323 14.779 15.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.909 15.112 16.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.944 14.892 14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.413 13.627 15.499 1.00 0.00 H new ATOM 997 N ALA A 66 2.954 9.330 10.576 1.00 0.00 N ATOM 998 CA ALA A 66 2.645 8.900 9.223 1.00 0.00 C ATOM 999 C ALA A 66 1.371 8.053 9.240 1.00 0.00 C ATOM 1000 O ALA A 66 0.862 7.713 10.306 1.00 0.00 O ATOM 1001 CB ALA A 66 3.841 8.142 8.644 1.00 0.00 C ATOM 0 H ALA A 66 3.484 8.655 11.128 1.00 0.00 H new ATOM 0 HA ALA A 66 2.460 9.760 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.610 7.819 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.713 8.796 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.053 7.270 9.263 1.00 0.00 H new ATOM 1007 N THR A 67 0.893 7.737 8.045 1.00 0.00 N ATOM 1008 CA THR A 67 -0.312 6.937 7.909 1.00 0.00 C ATOM 1009 C THR A 67 -0.323 6.215 6.560 1.00 0.00 C ATOM 1010 O THR A 67 0.389 6.607 5.636 1.00 0.00 O ATOM 1011 CB THR A 67 -1.517 7.857 8.115 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.318 8.907 7.172 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.487 8.565 9.472 1.00 0.00 C ATOM 0 H THR A 67 1.319 8.021 7.162 1.00 0.00 H new ATOM 0 HA THR A 67 -0.352 6.151 8.664 1.00 0.00 H new ATOM 0 HB THR A 67 -2.436 7.277 8.028 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.056 9.549 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.364 9.205 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.491 7.822 10.270 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.585 9.172 9.546 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.161 5.146 6.487 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.274 4.366 5.266 1.00 0.00 C ATOM 1023 C PRO A 68 -2.085 5.118 4.208 1.00 0.00 C ATOM 1024 O PRO A 68 -2.737 6.115 4.514 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.922 3.059 5.693 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.568 3.335 7.040 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.019 4.654 7.560 1.00 0.00 C ATOM 0 HA PRO A 68 -0.309 4.181 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.664 2.734 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.181 2.263 5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.652 3.386 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.350 2.528 7.740 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.822 5.358 7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.457 4.513 8.483 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.016 4.597 2.954 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.220 3.413 2.678 1.00 0.00 C ATOM 1037 C PRO A 69 0.273 3.748 2.658 1.00 0.00 C ATOM 1038 O PRO A 69 0.660 4.888 2.912 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.730 2.899 1.342 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.465 4.064 0.699 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.691 5.120 1.770 1.00 0.00 C ATOM 0 HA PRO A 69 -1.321 2.649 3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.906 2.562 0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.395 2.046 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.882 4.475 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.416 3.732 0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.277 6.083 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.754 5.274 1.956 1.00 0.00 H new ATOM 1049 N GLN A 70 1.070 2.735 2.354 1.00 0.00 N ATOM 1050 CA GLN A 70 2.512 2.908 2.298 1.00 0.00 C ATOM 1051 C GLN A 70 3.144 1.816 1.433 1.00 0.00 C ATOM 1052 O GLN A 70 3.113 0.640 1.790 1.00 0.00 O ATOM 1053 CB GLN A 70 3.118 2.914 3.703 1.00 0.00 C ATOM 1054 CG GLN A 70 3.958 4.172 3.932 1.00 0.00 C ATOM 1055 CD GLN A 70 3.106 5.303 4.512 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.229 5.094 5.334 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.411 6.508 4.038 1.00 0.00 N ATOM 0 H GLN A 70 0.745 1.791 2.144 1.00 0.00 H new ATOM 0 HA GLN A 70 2.725 3.875 1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.322 2.863 4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.738 2.028 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.780 3.946 4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.402 4.493 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.157 6.612 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.898 7.328 4.362 1.00 0.00 H new ATOM 1066 N ILE A 71 3.704 2.245 0.311 1.00 0.00 N ATOM 1067 CA ILE A 71 4.342 1.318 -0.609 1.00 0.00 C ATOM 1068 C ILE A 71 5.813 1.152 -0.219 1.00 0.00 C ATOM 1069 O ILE A 71 6.488 2.130 0.098 1.00 0.00 O ATOM 1070 CB ILE A 71 4.137 1.772 -2.055 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.647 1.890 -2.386 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.868 0.846 -3.029 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.157 3.327 -2.196 1.00 0.00 C ATOM 0 H ILE A 71 3.729 3.222 0.018 1.00 0.00 H new ATOM 0 HA ILE A 71 3.880 0.333 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 71 4.572 2.765 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.473 1.575 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.074 1.219 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.706 1.191 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.935 0.855 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.484 -0.169 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.096 3.384 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.310 3.630 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.715 3.992 -2.855 1.00 0.00 H new ATOM 1085 N VAL A 72 6.265 -0.093 -0.257 1.00 0.00 N ATOM 1086 CA VAL A 72 7.642 -0.399 0.088 1.00 0.00 C ATOM 1087 C VAL A 72 8.188 -1.444 -0.887 1.00 0.00 C ATOM 1088 O VAL A 72 7.448 -2.311 -1.351 1.00 0.00 O ATOM 1089 CB VAL A 72 7.730 -0.843 1.550 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.178 -0.830 2.041 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.840 0.026 2.441 1.00 0.00 C ATOM 0 H VAL A 72 5.702 -0.901 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 72 8.265 0.491 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 72 7.366 -1.868 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.212 -1.150 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.774 -1.510 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.581 0.179 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.921 -0.310 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.160 1.066 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.804 -0.057 2.112 1.00 0.00 H new ATOM 1101 N ASN A 73 9.477 -1.327 -1.171 1.00 0.00 N ATOM 1102 CA ASN A 73 10.130 -2.250 -2.083 1.00 0.00 C ATOM 1103 C ASN A 73 11.279 -2.952 -1.356 1.00 0.00 C ATOM 1104 O ASN A 73 12.325 -2.351 -1.117 1.00 0.00 O ATOM 1105 CB ASN A 73 10.713 -1.513 -3.289 1.00 0.00 C ATOM 1106 CG ASN A 73 10.891 -2.459 -4.478 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.538 -3.490 -4.392 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.282 -2.053 -5.588 1.00 0.00 N ATOM 0 H ASN A 73 10.087 -0.606 -0.785 1.00 0.00 H new ATOM 0 HA ASN A 73 9.385 -2.968 -2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.055 -0.691 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.675 -1.075 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.340 -2.616 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.756 -1.179 -5.591 1.00 0.00 H new ATOM 1115 N GLY A 74 11.045 -4.213 -1.024 1.00 0.00 N ATOM 1116 CA GLY A 74 12.048 -5.002 -0.330 1.00 0.00 C ATOM 1117 C GLY A 74 12.486 -4.315 0.965 1.00 0.00 C ATOM 1118 O GLY A 74 11.937 -4.584 2.032 1.00 0.00 O ATOM 0 H GLY A 74 10.175 -4.708 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.646 -5.990 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.912 -5.150 -0.978 1.00 0.00 H new ATOM 1122 N ASN A 75 13.472 -3.440 0.828 1.00 0.00 N ATOM 1123 CA ASN A 75 13.991 -2.712 1.973 1.00 0.00 C ATOM 1124 C ASN A 75 14.066 -1.222 1.634 1.00 0.00 C ATOM 1125 O ASN A 75 14.813 -0.475 2.263 1.00 0.00 O ATOM 1126 CB ASN A 75 15.401 -3.186 2.334 1.00 0.00 C ATOM 1127 CG ASN A 75 15.515 -3.475 3.833 1.00 0.00 C ATOM 1128 OD1 ASN A 75 15.210 -4.557 4.307 1.00 0.00 O ATOM 1129 ND2 ASN A 75 15.969 -2.451 4.548 1.00 0.00 N ATOM 0 H ASN A 75 13.925 -3.219 -0.059 1.00 0.00 H new ATOM 0 HA ASN A 75 13.323 -2.890 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.643 -4.085 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.128 -2.425 2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.081 -2.544 5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.206 -1.572 4.087 1.00 0.00 H new ATOM 1136 N HIS A 76 13.280 -0.835 0.639 1.00 0.00 N ATOM 1137 CA HIS A 76 13.248 0.553 0.209 1.00 0.00 C ATOM 1138 C HIS A 76 11.860 1.140 0.472 1.00 0.00 C ATOM 1139 O HIS A 76 10.863 0.419 0.452 1.00 0.00 O ATOM 1140 CB HIS A 76 13.676 0.678 -1.255 1.00 0.00 C ATOM 1141 CG HIS A 76 15.002 0.024 -1.564 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.211 0.539 -1.130 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.295 -1.107 -2.268 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.182 -0.254 -1.560 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.612 -1.273 -2.266 1.00 0.00 N ATOM 0 H HIS A 76 12.661 -1.458 0.119 1.00 0.00 H new ATOM 0 HA HIS A 76 13.966 1.133 0.789 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.907 0.234 -1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.733 1.734 -1.517 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.577 -1.757 -2.746 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.239 -0.118 -1.383 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.115 -2.037 -2.718 1.00 0.00 H new ATOM 1153 N TYR A 77 11.839 2.442 0.714 1.00 0.00 N ATOM 1154 CA TYR A 77 10.590 3.134 0.981 1.00 0.00 C ATOM 1155 C TYR A 77 10.106 3.891 -0.258 1.00 0.00 C ATOM 1156 O TYR A 77 10.691 4.904 -0.637 1.00 0.00 O ATOM 1157 CB TYR A 77 10.894 4.140 2.093 1.00 0.00 C ATOM 1158 CG TYR A 77 9.794 5.181 2.309 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.469 4.794 2.310 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.126 6.506 2.502 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.433 5.774 2.513 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.090 7.486 2.705 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.795 7.071 2.701 1.00 0.00 C ATOM 1164 OH TYR A 77 6.816 7.996 2.893 1.00 0.00 O ATOM 0 H TYR A 77 12.668 3.036 0.731 1.00 0.00 H new ATOM 0 HA TYR A 77 9.811 2.425 1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.055 3.598 3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.826 4.655 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.209 3.757 2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.163 6.809 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.392 5.485 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.336 8.527 2.857 1.00 0.00 H new ATOM 0 HH TYR A 77 7.221 8.880 3.015 1.00 0.00 H new ATOM 1174 N CYS A 78 9.044 3.370 -0.853 1.00 0.00 N ATOM 1175 CA CYS A 78 8.475 3.984 -2.041 1.00 0.00 C ATOM 1176 C CYS A 78 8.027 5.402 -1.681 1.00 0.00 C ATOM 1177 O CYS A 78 8.653 6.378 -2.092 1.00 0.00 O ATOM 1178 CB CYS A 78 7.327 3.151 -2.614 1.00 0.00 C ATOM 1179 SG CYS A 78 7.927 1.480 -3.057 1.00 0.00 S ATOM 0 H CYS A 78 8.562 2.529 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 78 9.230 4.031 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.522 3.075 -1.883 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.914 3.643 -3.494 1.00 0.00 H new ATOM 0 HG CYS A 78 8.867 1.579 -3.949 1.00 0.00 H new ATOM 1185 N GLY A 79 6.947 5.471 -0.917 1.00 0.00 N ATOM 1186 CA GLY A 79 6.408 6.753 -0.497 1.00 0.00 C ATOM 1187 C GLY A 79 4.949 6.617 -0.057 1.00 0.00 C ATOM 1188 O GLY A 79 4.463 5.508 0.159 1.00 0.00 O ATOM 0 H GLY A 79 6.430 4.659 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.004 7.150 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.479 7.468 -1.317 1.00 0.00 H new ATOM 1192 N ASP A 80 4.292 7.761 0.065 1.00 0.00 N ATOM 1193 CA ASP A 80 2.898 7.784 0.476 1.00 0.00 C ATOM 1194 C ASP A 80 2.004 7.651 -0.759 1.00 0.00 C ATOM 1195 O ASP A 80 2.482 7.750 -1.889 1.00 0.00 O ATOM 1196 CB ASP A 80 2.550 9.101 1.172 1.00 0.00 C ATOM 1197 CG ASP A 80 2.777 10.357 0.329 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.906 10.198 -0.904 1.00 0.00 O ATOM 1199 OD2 ASP A 80 2.816 11.449 0.936 1.00 0.00 O ATOM 0 H ASP A 80 4.699 8.679 -0.114 1.00 0.00 H new ATOM 0 HA ASP A 80 2.737 6.957 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.503 9.069 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.143 9.181 2.083 1.00 0.00 H new ATOM 1204 N TYR A 81 0.724 7.430 -0.502 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.241 7.283 -1.579 1.00 0.00 C ATOM 1206 C TYR A 81 -0.075 8.393 -2.619 1.00 0.00 C ATOM 1207 O TYR A 81 -0.055 8.125 -3.819 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.620 7.410 -0.929 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.738 7.775 -1.909 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -2.904 9.086 -2.309 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.580 6.795 -2.392 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -3.956 9.430 -3.230 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.631 7.138 -3.313 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.767 8.439 -3.687 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.761 8.764 -4.558 1.00 0.00 O ATOM 0 H TYR A 81 0.332 7.349 0.436 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.106 6.329 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.870 6.467 -0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.574 8.168 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.245 9.853 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.450 5.770 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.098 10.452 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.297 6.380 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.487 9.538 -5.093 1.00 0.00 H new ATOM 1225 N GLU A 82 0.039 9.615 -2.120 1.00 0.00 N ATOM 1226 CA GLU A 82 0.202 10.766 -2.991 1.00 0.00 C ATOM 1227 C GLU A 82 1.358 10.535 -3.966 1.00 0.00 C ATOM 1228 O GLU A 82 1.203 10.720 -5.172 1.00 0.00 O ATOM 1229 CB GLU A 82 0.419 12.043 -2.177 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.915 12.635 -1.718 1.00 0.00 C ATOM 1231 CD GLU A 82 -1.177 13.984 -2.390 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.361 14.902 -2.157 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -2.186 14.068 -3.122 1.00 0.00 O ATOM 0 H GLU A 82 0.022 9.833 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.714 10.893 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.041 11.824 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.958 12.775 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.724 11.944 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.908 12.759 -0.635 1.00 0.00 H new ATOM 1240 N LEU A 83 2.490 10.133 -3.408 1.00 0.00 N ATOM 1241 CA LEU A 83 3.671 9.874 -4.213 1.00 0.00 C ATOM 1242 C LEU A 83 3.325 8.863 -5.308 1.00 0.00 C ATOM 1243 O LEU A 83 3.565 9.113 -6.488 1.00 0.00 O ATOM 1244 CB LEU A 83 4.841 9.443 -3.326 1.00 0.00 C ATOM 1245 CG LEU A 83 6.034 10.400 -3.278 1.00 0.00 C ATOM 1246 CD1 LEU A 83 6.717 10.357 -1.909 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.014 10.111 -4.417 1.00 0.00 C ATOM 0 H LEU A 83 2.614 9.980 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 83 3.999 10.786 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.470 9.305 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.194 8.471 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 83 5.664 11.415 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.561 11.046 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.004 10.648 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.072 9.346 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.853 10.805 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.382 9.089 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.506 10.233 -5.374 1.00 0.00 H new ATOM 1259 N PHE A 84 2.767 7.741 -4.878 1.00 0.00 N ATOM 1260 CA PHE A 84 2.385 6.691 -5.807 1.00 0.00 C ATOM 1261 C PHE A 84 1.549 7.254 -6.958 1.00 0.00 C ATOM 1262 O PHE A 84 1.931 7.139 -8.121 1.00 0.00 O ATOM 1263 CB PHE A 84 1.540 5.685 -5.022 1.00 0.00 C ATOM 1264 CG PHE A 84 0.998 4.533 -5.870 1.00 0.00 C ATOM 1265 CD1 PHE A 84 -0.199 4.659 -6.505 1.00 0.00 C ATOM 1266 CD2 PHE A 84 1.713 3.382 -5.989 1.00 0.00 C ATOM 1267 CE1 PHE A 84 -0.701 3.589 -7.291 1.00 0.00 C ATOM 1268 CE2 PHE A 84 1.210 2.312 -6.776 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.013 2.438 -7.411 1.00 0.00 C ATOM 0 H PHE A 84 2.570 7.536 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 84 3.276 6.229 -6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.142 5.274 -4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.702 6.210 -4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.767 5.573 -6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 84 2.663 3.282 -5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.651 3.689 -7.794 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.778 1.398 -6.871 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.370 1.625 -8.010 1.00 0.00 H new ATOM 1279 N VAL A 85 0.424 7.850 -6.593 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.469 8.432 -7.580 1.00 0.00 C ATOM 1281 C VAL A 85 0.315 9.407 -8.459 1.00 0.00 C ATOM 1282 O VAL A 85 0.375 9.241 -9.677 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.666 9.084 -6.884 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -2.785 9.383 -7.883 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.175 8.210 -5.736 1.00 0.00 C ATOM 0 H VAL A 85 0.110 7.943 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.872 7.658 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.332 10.032 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.623 9.846 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.415 10.062 -8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.115 8.454 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.026 8.696 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.483 7.240 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.379 8.070 -5.005 1.00 0.00 H new ATOM 1295 N GLU A 86 0.897 10.404 -7.809 1.00 0.00 N ATOM 1296 CA GLU A 86 1.675 11.407 -8.516 1.00 0.00 C ATOM 1297 C GLU A 86 2.471 10.758 -9.650 1.00 0.00 C ATOM 1298 O GLU A 86 2.368 11.174 -10.803 1.00 0.00 O ATOM 1299 CB GLU A 86 2.601 12.159 -7.558 1.00 0.00 C ATOM 1300 CG GLU A 86 2.825 13.598 -8.029 1.00 0.00 C ATOM 1301 CD GLU A 86 4.297 13.841 -8.368 1.00 0.00 C ATOM 1302 OE1 GLU A 86 5.059 14.124 -7.419 1.00 0.00 O ATOM 1303 OE2 GLU A 86 4.626 13.737 -9.569 1.00 0.00 O ATOM 0 H GLU A 86 0.845 10.539 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 86 0.987 12.133 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.169 12.163 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.558 11.642 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.209 13.798 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.508 14.293 -7.251 1.00 0.00 H new ATOM 1310 N ALA A 87 3.247 9.748 -9.284 1.00 0.00 N ATOM 1311 CA ALA A 87 4.060 9.038 -10.256 1.00 0.00 C ATOM 1312 C ALA A 87 3.146 8.361 -11.281 1.00 0.00 C ATOM 1313 O ALA A 87 3.221 8.654 -12.473 1.00 0.00 O ATOM 1314 CB ALA A 87 4.965 8.039 -9.533 1.00 0.00 C ATOM 0 H ALA A 87 3.330 9.405 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 87 4.706 9.731 -10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.575 7.506 -10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.614 8.572 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.352 7.325 -8.982 1.00 0.00 H new ATOM 1320 N VAL A 88 2.306 7.469 -10.778 1.00 0.00 N ATOM 1321 CA VAL A 88 1.379 6.748 -11.635 1.00 0.00 C ATOM 1322 C VAL A 88 0.801 7.709 -12.675 1.00 0.00 C ATOM 1323 O VAL A 88 0.761 7.393 -13.863 1.00 0.00 O ATOM 1324 CB VAL A 88 0.303 6.068 -10.786 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -0.855 5.578 -11.658 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.896 4.920 -9.967 1.00 0.00 C ATOM 0 H VAL A 88 2.247 7.229 -9.788 1.00 0.00 H new ATOM 0 HA VAL A 88 1.896 5.956 -12.176 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.092 6.808 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.606 5.099 -11.030 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.303 6.425 -12.177 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.482 4.861 -12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.110 4.454 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.330 4.180 -10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.670 5.307 -9.305 1.00 0.00 H new ATOM 1336 N GLU A 89 0.367 8.864 -12.191 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.208 9.873 -13.065 1.00 0.00 C ATOM 1338 C GLU A 89 0.848 10.391 -14.043 1.00 0.00 C ATOM 1339 O GLU A 89 0.576 10.539 -15.234 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.814 11.020 -12.253 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.952 10.519 -11.362 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.295 11.103 -11.808 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.307 12.307 -12.143 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -4.278 10.331 -11.804 1.00 0.00 O ATOM 0 H GLU A 89 0.402 9.123 -11.205 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.013 9.414 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.042 11.482 -11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.188 11.790 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.995 9.430 -11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.757 10.796 -10.326 1.00 0.00 H new ATOM 1351 N GLN A 90 2.030 10.653 -13.505 1.00 0.00 N ATOM 1352 CA GLN A 90 3.128 11.152 -14.315 1.00 0.00 C ATOM 1353 C GLN A 90 3.631 10.057 -15.258 1.00 0.00 C ATOM 1354 O GLN A 90 4.460 10.316 -16.130 1.00 0.00 O ATOM 1355 CB GLN A 90 4.262 11.683 -13.436 1.00 0.00 C ATOM 1356 CG GLN A 90 3.900 13.043 -12.837 1.00 0.00 C ATOM 1357 CD GLN A 90 3.615 14.068 -13.937 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.258 14.100 -14.974 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.617 14.901 -13.655 1.00 0.00 N ATOM 0 H GLN A 90 2.251 10.529 -12.517 1.00 0.00 H new ATOM 0 HA GLN A 90 2.761 11.983 -14.917 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.470 10.973 -12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.173 11.773 -14.027 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.025 12.940 -12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.717 13.397 -12.208 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.120 14.820 -12.768 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.349 15.621 -14.326 1.00 0.00 H new ATOM 1368 N ASP A 91 3.110 8.857 -15.051 1.00 0.00 N ATOM 1369 CA ASP A 91 3.497 7.721 -15.872 1.00 0.00 C ATOM 1370 C ASP A 91 4.930 7.313 -15.527 1.00 0.00 C ATOM 1371 O ASP A 91 5.663 6.824 -16.385 1.00 0.00 O ATOM 1372 CB ASP A 91 3.451 8.076 -17.360 1.00 0.00 C ATOM 1373 CG ASP A 91 2.565 7.168 -18.214 1.00 0.00 C ATOM 1374 OD1 ASP A 91 1.343 7.432 -18.243 1.00 0.00 O ATOM 1375 OD2 ASP A 91 3.128 6.232 -18.820 1.00 0.00 O ATOM 0 H ASP A 91 2.423 8.646 -14.327 1.00 0.00 H new ATOM 0 HA ASP A 91 2.799 6.908 -15.674 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.099 9.103 -17.462 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.466 8.046 -17.757 1.00 0.00 H new ATOM 1380 N THR A 92 5.286 7.529 -14.269 1.00 0.00 N ATOM 1381 CA THR A 92 6.619 7.189 -13.800 1.00 0.00 C ATOM 1382 C THR A 92 6.539 6.391 -12.498 1.00 0.00 C ATOM 1383 O THR A 92 7.377 6.555 -11.612 1.00 0.00 O ATOM 1384 CB THR A 92 7.419 8.486 -13.670 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.605 9.315 -12.846 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.513 9.252 -14.991 1.00 0.00 C ATOM 0 H THR A 92 4.675 7.935 -13.560 1.00 0.00 H new ATOM 0 HA THR A 92 7.135 6.542 -14.509 1.00 0.00 H new ATOM 0 HB THR A 92 8.423 8.258 -13.311 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.050 10.177 -12.709 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.091 10.164 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.004 8.629 -15.739 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.511 9.509 -15.334 1.00 0.00 H new ATOM 1394 N LEU A 93 5.522 5.544 -12.422 1.00 0.00 N ATOM 1395 CA LEU A 93 5.322 4.720 -11.242 1.00 0.00 C ATOM 1396 C LEU A 93 6.561 3.852 -11.014 1.00 0.00 C ATOM 1397 O LEU A 93 7.009 3.689 -9.880 1.00 0.00 O ATOM 1398 CB LEU A 93 4.024 3.919 -11.362 1.00 0.00 C ATOM 1399 CG LEU A 93 3.844 2.778 -10.359 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.573 3.320 -8.955 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.754 1.809 -10.820 1.00 0.00 C ATOM 0 H LEU A 93 4.828 5.411 -13.158 1.00 0.00 H new ATOM 0 HA LEU A 93 5.204 5.345 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.185 4.606 -11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.969 3.504 -12.368 1.00 0.00 H new ATOM 0 HG LEU A 93 4.776 2.215 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.449 2.488 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.413 3.937 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.664 3.922 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.647 1.008 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.809 2.343 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.029 1.385 -11.786 1.00 0.00 H new ATOM 1413 N GLN A 94 7.080 3.318 -12.110 1.00 0.00 N ATOM 1414 CA GLN A 94 8.259 2.472 -12.044 1.00 0.00 C ATOM 1415 C GLN A 94 9.411 3.218 -11.368 1.00 0.00 C ATOM 1416 O GLN A 94 10.090 2.666 -10.504 1.00 0.00 O ATOM 1417 CB GLN A 94 8.663 1.985 -13.437 1.00 0.00 C ATOM 1418 CG GLN A 94 7.802 0.797 -13.874 1.00 0.00 C ATOM 1419 CD GLN A 94 8.525 -0.046 -14.926 1.00 0.00 C ATOM 1420 OE1 GLN A 94 9.117 0.461 -15.865 1.00 0.00 O ATOM 1421 NE2 GLN A 94 8.444 -1.357 -14.718 1.00 0.00 N ATOM 0 H GLN A 94 6.705 3.455 -13.049 1.00 0.00 H new ATOM 0 HA GLN A 94 8.019 1.594 -11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.558 2.798 -14.155 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.714 1.696 -13.434 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.563 0.179 -13.009 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.857 1.158 -14.279 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.932 -1.715 -13.911 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.894 -2.005 -15.365 1.00 0.00 H new ATOM 1430 N GLU A 95 9.596 4.460 -11.788 1.00 0.00 N ATOM 1431 CA GLU A 95 10.654 5.288 -11.234 1.00 0.00 C ATOM 1432 C GLU A 95 10.498 5.404 -9.717 1.00 0.00 C ATOM 1433 O GLU A 95 11.407 5.050 -8.967 1.00 0.00 O ATOM 1434 CB GLU A 95 10.671 6.669 -11.891 1.00 0.00 C ATOM 1435 CG GLU A 95 12.070 7.286 -11.836 1.00 0.00 C ATOM 1436 CD GLU A 95 12.825 7.053 -13.146 1.00 0.00 C ATOM 1437 OE1 GLU A 95 12.183 7.213 -14.207 1.00 0.00 O ATOM 1438 OE2 GLU A 95 14.026 6.720 -13.058 1.00 0.00 O ATOM 0 H GLU A 95 9.031 4.914 -12.506 1.00 0.00 H new ATOM 0 HA GLU A 95 11.611 4.810 -11.446 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.347 6.586 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.961 7.324 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.992 8.356 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.630 6.852 -11.007 1.00 0.00 H new ATOM 1445 N PHE A 96 9.340 5.901 -9.310 1.00 0.00 N ATOM 1446 CA PHE A 96 9.053 6.068 -7.895 1.00 0.00 C ATOM 1447 C PHE A 96 9.374 4.791 -7.116 1.00 0.00 C ATOM 1448 O PHE A 96 9.911 4.853 -6.011 1.00 0.00 O ATOM 1449 CB PHE A 96 7.556 6.362 -7.774 1.00 0.00 C ATOM 1450 CG PHE A 96 7.016 6.264 -6.346 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.480 7.106 -5.384 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.073 5.334 -6.038 1.00 0.00 C ATOM 1453 CE1 PHE A 96 6.979 7.014 -4.058 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.572 5.243 -4.712 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.036 6.085 -3.750 1.00 0.00 C ATOM 0 H PHE A 96 8.589 6.194 -9.935 1.00 0.00 H new ATOM 0 HA PHE A 96 9.661 6.874 -7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.361 7.364 -8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.007 5.665 -8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.229 7.844 -5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.705 4.665 -6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.348 7.683 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.822 4.505 -4.468 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.655 6.015 -2.742 1.00 0.00 H new ATOM 1465 N LEU A 97 9.033 3.664 -7.722 1.00 0.00 N ATOM 1466 CA LEU A 97 9.279 2.375 -7.099 1.00 0.00 C ATOM 1467 C LEU A 97 10.751 2.000 -7.276 1.00 0.00 C ATOM 1468 O LEU A 97 11.600 2.872 -7.457 1.00 0.00 O ATOM 1469 CB LEU A 97 8.307 1.324 -7.640 1.00 0.00 C ATOM 1470 CG LEU A 97 6.819 1.643 -7.484 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.955 0.548 -8.112 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.461 1.884 -6.016 1.00 0.00 C ATOM 0 H LEU A 97 8.588 3.617 -8.639 1.00 0.00 H new ATOM 0 HA LEU A 97 9.090 2.428 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.517 1.175 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.510 0.378 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 97 6.609 2.567 -8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.902 0.799 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.185 0.467 -9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.161 -0.404 -7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.398 2.109 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.690 0.991 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.040 2.724 -5.633 1.00 0.00 H new ATOM 1484 N LYS A 98 11.010 0.702 -7.218 1.00 0.00 N ATOM 1485 CA LYS A 98 12.365 0.201 -7.370 1.00 0.00 C ATOM 1486 C LYS A 98 12.385 -0.886 -8.447 1.00 0.00 C ATOM 1487 O LYS A 98 12.755 -2.027 -8.175 1.00 0.00 O ATOM 1488 CB LYS A 98 12.920 -0.260 -6.021 1.00 0.00 C ATOM 1489 CG LYS A 98 13.953 0.734 -5.485 1.00 0.00 C ATOM 1490 CD LYS A 98 13.270 1.942 -4.841 1.00 0.00 C ATOM 1491 CE LYS A 98 14.297 2.874 -4.197 1.00 0.00 C ATOM 1492 NZ LYS A 98 13.625 3.862 -3.324 1.00 0.00 N ATOM 0 H LYS A 98 10.304 -0.018 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 98 13.029 0.997 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.105 -0.365 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.378 -1.243 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.592 0.240 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.598 1.067 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.701 2.487 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.559 1.603 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.011 2.291 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.864 3.391 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.337 4.362 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.107 4.547 -3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.959 3.372 -2.694 1.00 0.00 H new ATOM 1506 N LEU A 99 11.981 -0.494 -9.646 1.00 0.00 N ATOM 1507 CA LEU A 99 11.948 -1.421 -10.765 1.00 0.00 C ATOM 1508 C LEU A 99 13.007 -1.013 -11.791 1.00 0.00 C ATOM 1509 O LEU A 99 13.785 -1.847 -12.251 1.00 0.00 O ATOM 1510 CB LEU A 99 10.534 -1.512 -11.343 1.00 0.00 C ATOM 1511 CG LEU A 99 9.437 -1.940 -10.366 1.00 0.00 C ATOM 1512 CD1 LEU A 99 9.619 -3.399 -9.941 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.374 -0.996 -9.164 1.00 0.00 C ATOM 0 H LEU A 99 11.674 0.453 -9.867 1.00 0.00 H new ATOM 0 HA LEU A 99 12.197 -2.429 -10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.267 -0.538 -11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.547 -2.216 -12.175 1.00 0.00 H new ATOM 0 HG LEU A 99 8.478 -1.872 -10.879 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.826 -3.677 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.574 -4.042 -10.820 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.587 -3.518 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.586 -1.323 -8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.331 -1.008 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.160 0.016 -9.507 1.00 0.00 H new ATOM 1525 N ALA A 100 13.002 0.270 -12.121 1.00 0.00 N ATOM 1526 CA ALA A 100 13.952 0.799 -13.085 1.00 0.00 C ATOM 1527 C ALA A 100 15.008 1.628 -12.351 1.00 0.00 C ATOM 1528 O ALA A 100 14.920 1.820 -11.139 1.00 0.00 O ATOM 1529 CB ALA A 100 13.206 1.612 -14.145 1.00 0.00 C ATOM 0 H ALA A 100 12.355 0.959 -11.738 1.00 0.00 H new ATOM 0 HA ALA A 100 14.468 -0.012 -13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.919 2.009 -14.868 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.489 0.971 -14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.678 2.437 -13.666 1.00 0.00 H new TER 1535 ALA A 100