USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 22 TYR OH : rot 57:sc= -2.7! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 13 SER OG : rot 47:sc= 0.241 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.22! C(o=-6.2!,f=-15!) USER MOD Single : A 19 TYR OH : rot 100:sc= -2.95! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00439 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 1.02 (180deg=0.918) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -82:sc= 0.402! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 14:sc= 0.93 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 CYS SG : rot -150:sc= -3.37! USER MOD Single : A 84 GLN : amide:sc= -0.374 K(o=-0.37,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -0.682 K(o=-0.68,f=-4.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -62:sc=-0.000735 USER MOD Single : A 95 SER OG : rot -81:sc= 0.914 USER MOD Single : A 104 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 1.632 -2.062 -6.920 1.00 0.00 N ATOM 32 CA LEU A 9 2.370 -2.075 -8.172 1.00 0.00 C ATOM 33 C LEU A 9 2.152 -0.748 -8.901 1.00 0.00 C ATOM 34 O LEU A 9 3.051 -0.254 -9.580 1.00 0.00 O ATOM 35 CB LEU A 9 1.992 -3.303 -9.003 1.00 0.00 C ATOM 36 CG LEU A 9 2.305 -4.662 -8.373 1.00 0.00 C ATOM 37 CD1 LEU A 9 2.092 -5.795 -9.379 1.00 0.00 C ATOM 38 CD2 LEU A 9 3.715 -4.680 -7.780 1.00 0.00 C ATOM 0 HA LEU A 9 3.440 -2.163 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.923 -3.260 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.508 -3.242 -9.961 1.00 0.00 H new ATOM 0 HG LEU A 9 1.608 -4.826 -7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.321 -6.750 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.054 -5.795 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.748 -5.648 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.912 -5.657 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.443 -4.484 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.796 -3.912 -7.011 1.00 0.00 H new ATOM 50 N THR A 10 0.953 -0.209 -8.737 1.00 0.00 N ATOM 51 CA THR A 10 0.606 1.051 -9.371 1.00 0.00 C ATOM 52 C THR A 10 1.694 2.096 -9.113 1.00 0.00 C ATOM 53 O THR A 10 2.350 2.558 -10.046 1.00 0.00 O ATOM 54 CB THR A 10 -0.774 1.473 -8.862 1.00 0.00 C ATOM 55 OG1 THR A 10 -1.679 0.645 -9.588 1.00 0.00 O ATOM 56 CG2 THR A 10 -1.146 2.895 -9.288 1.00 0.00 C ATOM 0 H THR A 10 0.210 -0.622 -8.174 1.00 0.00 H new ATOM 0 HA THR A 10 0.551 0.946 -10.454 1.00 0.00 H new ATOM 0 HB THR A 10 -0.797 1.403 -7.775 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.599 0.851 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.134 3.144 -8.901 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.413 3.597 -8.891 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.156 2.958 -10.376 1.00 0.00 H new ATOM 64 N GLN A 11 1.852 2.438 -7.843 1.00 0.00 N ATOM 65 CA GLN A 11 2.849 3.419 -7.450 1.00 0.00 C ATOM 66 C GLN A 11 4.252 2.919 -7.801 1.00 0.00 C ATOM 67 O GLN A 11 5.128 3.711 -8.147 1.00 0.00 O ATOM 68 CB GLN A 11 2.740 3.745 -5.959 1.00 0.00 C ATOM 69 CG GLN A 11 2.216 5.167 -5.746 1.00 0.00 C ATOM 70 CD GLN A 11 1.940 5.433 -4.265 1.00 0.00 C ATOM 71 OE1 GLN A 11 2.467 4.777 -3.381 1.00 0.00 O ATOM 72 NE2 GLN A 11 1.088 6.430 -4.044 1.00 0.00 N ATOM 0 H GLN A 11 1.306 2.053 -7.072 1.00 0.00 H new ATOM 0 HA GLN A 11 2.663 4.339 -8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.073 3.031 -5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.717 3.639 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.945 5.887 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.302 5.312 -6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.683 6.938 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.840 6.686 -3.088 1.00 0.00 H new ATOM 81 N LEU A 12 4.422 1.609 -7.699 1.00 0.00 N ATOM 82 CA LEU A 12 5.703 0.995 -8.001 1.00 0.00 C ATOM 83 C LEU A 12 6.251 1.583 -9.303 1.00 0.00 C ATOM 84 O LEU A 12 7.446 1.856 -9.411 1.00 0.00 O ATOM 85 CB LEU A 12 5.576 -0.529 -8.021 1.00 0.00 C ATOM 86 CG LEU A 12 6.836 -1.313 -7.648 1.00 0.00 C ATOM 87 CD1 LEU A 12 7.940 -1.101 -8.685 1.00 0.00 C ATOM 88 CD2 LEU A 12 7.302 -0.960 -6.234 1.00 0.00 C ATOM 0 H LEU A 12 3.693 0.956 -7.411 1.00 0.00 H new ATOM 0 HA LEU A 12 6.427 1.221 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.778 -0.816 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.265 -0.835 -9.020 1.00 0.00 H new ATOM 0 HG LEU A 12 6.591 -2.375 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.824 -1.669 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.593 -1.441 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.191 -0.042 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.199 -1.531 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.524 0.106 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.515 -1.203 -5.520 1.00 0.00 H new ATOM 100 N SER A 13 5.352 1.760 -10.260 1.00 0.00 N ATOM 101 CA SER A 13 5.730 2.311 -11.550 1.00 0.00 C ATOM 102 C SER A 13 4.479 2.693 -12.344 1.00 0.00 C ATOM 103 O SER A 13 4.226 2.141 -13.413 1.00 0.00 O ATOM 104 CB SER A 13 6.580 1.317 -12.345 1.00 0.00 C ATOM 105 OG SER A 13 7.973 1.596 -12.233 1.00 0.00 O ATOM 0 H SER A 13 4.362 1.531 -10.168 1.00 0.00 H new ATOM 0 HA SER A 13 6.329 3.205 -11.377 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.383 0.306 -11.989 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.287 1.348 -13.395 1.00 0.00 H new ATOM 0 HG SER A 13 8.202 1.745 -11.292 1.00 0.00 H new ATOM 111 N SER A 14 3.730 3.634 -11.788 1.00 0.00 N ATOM 112 CA SER A 14 2.511 4.096 -12.431 1.00 0.00 C ATOM 113 C SER A 14 1.733 2.905 -12.994 1.00 0.00 C ATOM 114 O SER A 14 0.995 3.047 -13.968 1.00 0.00 O ATOM 115 CB SER A 14 2.821 5.101 -13.541 1.00 0.00 C ATOM 116 OG SER A 14 2.214 6.368 -13.300 1.00 0.00 O ATOM 0 H SER A 14 3.943 4.089 -10.900 1.00 0.00 H new ATOM 0 HA SER A 14 1.899 4.600 -11.683 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.900 5.226 -13.625 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.471 4.707 -14.495 1.00 0.00 H new ATOM 0 HG SER A 14 2.437 6.982 -14.030 1.00 0.00 H new ATOM 122 N GLY A 15 1.924 1.759 -12.357 1.00 0.00 N ATOM 123 CA GLY A 15 1.249 0.545 -12.783 1.00 0.00 C ATOM 124 C GLY A 15 1.799 0.053 -14.123 1.00 0.00 C ATOM 125 O GLY A 15 1.040 -0.179 -15.063 1.00 0.00 O ATOM 0 H GLY A 15 2.536 1.646 -11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.376 -0.230 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.179 0.732 -12.872 1.00 0.00 H new ATOM 129 N ASN A 16 3.115 -0.093 -14.168 1.00 0.00 N ATOM 130 CA ASN A 16 3.776 -0.553 -15.378 1.00 0.00 C ATOM 131 C ASN A 16 3.856 -2.081 -15.360 1.00 0.00 C ATOM 132 O ASN A 16 4.536 -2.661 -14.515 1.00 0.00 O ATOM 133 CB ASN A 16 5.202 -0.007 -15.468 1.00 0.00 C ATOM 134 CG ASN A 16 5.692 0.010 -16.918 1.00 0.00 C ATOM 135 OD1 ASN A 16 5.286 -0.787 -17.747 1.00 0.00 O ATOM 136 ND2 ASN A 16 6.585 0.961 -17.176 1.00 0.00 N ATOM 0 H ASN A 16 3.741 0.099 -13.386 1.00 0.00 H new ATOM 0 HA ASN A 16 3.199 -0.199 -16.233 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.236 1.002 -15.057 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.869 -0.620 -14.862 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.973 1.055 -18.115 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.882 1.596 -16.435 1.00 0.00 H new ATOM 143 N PRO A 17 3.133 -2.706 -16.327 1.00 0.00 N ATOM 144 CA PRO A 17 3.115 -4.155 -16.430 1.00 0.00 C ATOM 145 C PRO A 17 4.425 -4.678 -17.023 1.00 0.00 C ATOM 146 O PRO A 17 4.646 -5.887 -17.080 1.00 0.00 O ATOM 147 CB PRO A 17 1.904 -4.474 -17.292 1.00 0.00 C ATOM 148 CG PRO A 17 1.561 -3.184 -18.021 1.00 0.00 C ATOM 149 CD PRO A 17 2.316 -2.052 -17.345 1.00 0.00 C ATOM 0 HA PRO A 17 3.036 -4.645 -15.459 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.127 -5.274 -17.998 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.067 -4.812 -16.681 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.839 -3.254 -19.073 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.487 -3.000 -17.987 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.934 -1.507 -18.058 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.631 -1.330 -16.900 1.00 0.00 H new ATOM 157 N VAL A 18 5.260 -3.742 -17.450 1.00 0.00 N ATOM 158 CA VAL A 18 6.542 -4.094 -18.037 1.00 0.00 C ATOM 159 C VAL A 18 7.288 -5.039 -17.093 1.00 0.00 C ATOM 160 O VAL A 18 7.943 -5.979 -17.540 1.00 0.00 O ATOM 161 CB VAL A 18 7.334 -2.826 -18.361 1.00 0.00 C ATOM 162 CG1 VAL A 18 7.686 -2.057 -17.086 1.00 0.00 C ATOM 163 CG2 VAL A 18 8.593 -3.157 -19.166 1.00 0.00 C ATOM 0 H VAL A 18 5.074 -2.740 -17.401 1.00 0.00 H new ATOM 0 HA VAL A 18 6.398 -4.622 -18.980 1.00 0.00 H new ATOM 0 HB VAL A 18 6.702 -2.185 -18.975 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.249 -1.160 -17.346 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.770 -1.773 -16.568 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.290 -2.689 -16.435 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.138 -2.238 -19.383 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.229 -3.828 -18.588 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.310 -3.641 -20.101 1.00 0.00 H new ATOM 173 N TYR A 19 7.162 -4.758 -15.804 1.00 0.00 N ATOM 174 CA TYR A 19 7.816 -5.571 -14.793 1.00 0.00 C ATOM 175 C TYR A 19 7.223 -6.981 -14.756 1.00 0.00 C ATOM 176 O TYR A 19 7.937 -7.952 -14.508 1.00 0.00 O ATOM 177 CB TYR A 19 7.543 -4.881 -13.455 1.00 0.00 C ATOM 178 CG TYR A 19 8.570 -3.809 -13.087 1.00 0.00 C ATOM 179 CD1 TYR A 19 9.892 -4.156 -12.895 1.00 0.00 C ATOM 180 CD2 TYR A 19 8.175 -2.494 -12.948 1.00 0.00 C ATOM 181 CE1 TYR A 19 10.859 -3.146 -12.549 1.00 0.00 C ATOM 182 CE2 TYR A 19 9.141 -1.484 -12.602 1.00 0.00 C ATOM 183 CZ TYR A 19 10.436 -1.860 -12.420 1.00 0.00 C ATOM 184 OH TYR A 19 11.349 -0.906 -12.093 1.00 0.00 O ATOM 0 H TYR A 19 6.616 -3.978 -15.437 1.00 0.00 H new ATOM 0 HA TYR A 19 8.881 -5.664 -15.006 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.553 -4.425 -13.488 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.521 -5.634 -12.667 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.201 -5.185 -13.004 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.141 -2.222 -13.099 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.896 -3.404 -12.396 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.845 -0.452 -12.489 1.00 0.00 H new ATOM 0 HH TYR A 19 11.620 -0.422 -12.901 1.00 0.00 H new ATOM 194 N GLU A 20 5.924 -7.049 -15.007 1.00 0.00 N ATOM 195 CA GLU A 20 5.227 -8.324 -15.006 1.00 0.00 C ATOM 196 C GLU A 20 5.892 -9.293 -15.986 1.00 0.00 C ATOM 197 O GLU A 20 6.020 -10.482 -15.698 1.00 0.00 O ATOM 198 CB GLU A 20 3.745 -8.140 -15.338 1.00 0.00 C ATOM 199 CG GLU A 20 2.862 -8.596 -14.175 1.00 0.00 C ATOM 200 CD GLU A 20 2.230 -9.958 -14.469 1.00 0.00 C ATOM 201 OE1 GLU A 20 2.892 -10.840 -15.036 1.00 0.00 O ATOM 202 OE2 GLU A 20 1.005 -10.085 -14.084 1.00 0.00 O ATOM 0 H GLU A 20 5.336 -6.242 -15.213 1.00 0.00 H new ATOM 0 HA GLU A 20 5.291 -8.749 -14.004 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.546 -7.092 -15.561 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.496 -8.709 -16.233 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.457 -8.656 -13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.079 -7.859 -13.997 1.00 0.00 H new ATOM 210 N LYS A 21 6.298 -8.749 -17.124 1.00 0.00 N ATOM 211 CA LYS A 21 6.946 -9.550 -18.148 1.00 0.00 C ATOM 212 C LYS A 21 8.061 -10.381 -17.509 1.00 0.00 C ATOM 213 O LYS A 21 8.203 -11.567 -17.804 1.00 0.00 O ATOM 214 CB LYS A 21 7.422 -8.664 -19.300 1.00 0.00 C ATOM 215 CG LYS A 21 8.881 -8.247 -19.104 1.00 0.00 C ATOM 216 CD LYS A 21 9.308 -7.230 -20.165 1.00 0.00 C ATOM 217 CE LYS A 21 9.990 -7.923 -21.346 1.00 0.00 C ATOM 218 NZ LYS A 21 10.821 -6.959 -22.102 1.00 0.00 N ATOM 0 H LYS A 21 6.190 -7.762 -17.359 1.00 0.00 H new ATOM 0 HA LYS A 21 6.237 -10.251 -18.589 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.317 -9.200 -20.243 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.792 -7.777 -19.366 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.010 -7.817 -18.111 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.524 -9.125 -19.157 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.436 -6.678 -20.517 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.989 -6.502 -19.723 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.611 -8.743 -20.985 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.238 -8.358 -22.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.277 -7.445 -22.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.220 -6.190 -22.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.551 -6.563 -21.475 1.00 0.00 H new ATOM 229 N TYR A 22 8.823 -9.725 -16.646 1.00 0.00 N ATOM 230 CA TYR A 22 9.921 -10.388 -15.964 1.00 0.00 C ATOM 231 C TYR A 22 9.404 -11.294 -14.844 1.00 0.00 C ATOM 232 O TYR A 22 9.828 -12.442 -14.723 1.00 0.00 O ATOM 233 CB TYR A 22 10.771 -9.274 -15.351 1.00 0.00 C ATOM 234 CG TYR A 22 11.188 -8.190 -16.347 1.00 0.00 C ATOM 235 CD1 TYR A 22 11.415 -8.517 -17.668 1.00 0.00 C ATOM 236 CD2 TYR A 22 11.337 -6.884 -15.924 1.00 0.00 C ATOM 237 CE1 TYR A 22 11.807 -7.497 -18.605 1.00 0.00 C ATOM 238 CE2 TYR A 22 11.730 -5.864 -16.861 1.00 0.00 C ATOM 239 CZ TYR A 22 11.945 -6.221 -18.155 1.00 0.00 C ATOM 240 OH TYR A 22 12.316 -5.257 -19.041 1.00 0.00 O ATOM 0 H TYR A 22 8.702 -8.742 -16.404 1.00 0.00 H new ATOM 0 HA TYR A 22 10.485 -11.010 -16.659 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.212 -8.810 -14.538 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.667 -9.714 -14.912 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.299 -9.538 -17.999 1.00 0.00 H new ATOM 0 HD2 TYR A 22 11.159 -6.628 -14.890 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.987 -7.739 -19.642 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.851 -4.839 -16.543 1.00 0.00 H new ATOM 0 HH TYR A 22 11.673 -5.226 -19.780 1.00 0.00 H new ATOM 250 N TYR A 23 8.495 -10.742 -14.053 1.00 0.00 N ATOM 251 CA TYR A 23 7.916 -11.486 -12.947 1.00 0.00 C ATOM 252 C TYR A 23 7.386 -12.842 -13.416 1.00 0.00 C ATOM 253 O TYR A 23 7.353 -13.800 -12.646 1.00 0.00 O ATOM 254 CB TYR A 23 6.745 -10.642 -12.440 1.00 0.00 C ATOM 255 CG TYR A 23 5.916 -11.321 -11.347 1.00 0.00 C ATOM 256 CD1 TYR A 23 6.509 -11.679 -10.154 1.00 0.00 C ATOM 257 CD2 TYR A 23 4.576 -11.574 -11.555 1.00 0.00 C ATOM 258 CE1 TYR A 23 5.729 -12.318 -9.125 1.00 0.00 C ATOM 259 CE2 TYR A 23 3.796 -12.213 -10.527 1.00 0.00 C ATOM 260 CZ TYR A 23 4.411 -12.554 -9.363 1.00 0.00 C ATOM 261 OH TYR A 23 3.674 -13.157 -8.392 1.00 0.00 O ATOM 0 H TYR A 23 8.146 -9.789 -14.156 1.00 0.00 H new ATOM 0 HA TYR A 23 8.663 -11.672 -12.176 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.131 -9.698 -12.056 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.093 -10.402 -13.280 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.558 -11.480 -9.991 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.112 -11.293 -12.489 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.181 -12.603 -8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.746 -12.417 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 23 2.750 -13.261 -8.700 1.00 0.00 H new ATOM 271 N ARG A 24 6.983 -12.880 -14.678 1.00 0.00 N ATOM 272 CA ARG A 24 6.456 -14.103 -15.259 1.00 0.00 C ATOM 273 C ARG A 24 7.588 -14.931 -15.871 1.00 0.00 C ATOM 274 O ARG A 24 7.466 -16.146 -16.014 1.00 0.00 O ATOM 275 CB ARG A 24 5.416 -13.797 -16.339 1.00 0.00 C ATOM 276 CG ARG A 24 4.619 -15.051 -16.704 1.00 0.00 C ATOM 277 CD ARG A 24 5.223 -15.747 -17.925 1.00 0.00 C ATOM 278 NE ARG A 24 4.484 -15.358 -19.147 1.00 0.00 N ATOM 279 CZ ARG A 24 4.923 -15.589 -20.402 1.00 0.00 C ATOM 280 NH1 ARG A 24 6.103 -16.210 -20.613 1.00 0.00 N ATOM 281 NH2 ARG A 24 4.181 -15.198 -21.422 1.00 0.00 N ATOM 0 H ARG A 24 7.011 -12.083 -15.314 1.00 0.00 H new ATOM 0 HA ARG A 24 5.977 -14.670 -14.460 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.737 -13.021 -15.986 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.913 -13.406 -17.227 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.607 -15.738 -15.858 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.583 -14.781 -16.910 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.274 -15.477 -18.025 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.183 -16.828 -17.794 1.00 0.00 H new ATOM 0 HE ARG A 24 3.587 -14.886 -19.033 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.671 -16.509 -19.820 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.427 -16.380 -21.565 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.291 -14.729 -21.255 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.498 -15.365 -22.377 1.00 0.00 H new ATOM 294 N GLN A 25 8.664 -14.239 -16.217 1.00 0.00 N ATOM 295 CA GLN A 25 9.816 -14.894 -16.811 1.00 0.00 C ATOM 296 C GLN A 25 10.417 -15.903 -15.830 1.00 0.00 C ATOM 297 O GLN A 25 10.946 -16.935 -16.241 1.00 0.00 O ATOM 298 CB GLN A 25 10.863 -13.869 -17.252 1.00 0.00 C ATOM 299 CG GLN A 25 10.649 -13.460 -18.711 1.00 0.00 C ATOM 300 CD GLN A 25 11.970 -13.470 -19.483 1.00 0.00 C ATOM 301 OE1 GLN A 25 12.187 -14.265 -20.382 1.00 0.00 O ATOM 302 NE2 GLN A 25 12.837 -12.544 -19.082 1.00 0.00 N ATOM 0 H GLN A 25 8.762 -13.231 -16.097 1.00 0.00 H new ATOM 0 HA GLN A 25 9.485 -15.432 -17.699 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.807 -12.989 -16.612 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.862 -14.289 -17.131 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.942 -14.142 -19.184 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.207 -12.464 -18.752 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.591 -11.910 -18.322 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.748 -12.468 -19.534 1.00 0.00 H new ATOM 311 N VAL A 26 10.314 -15.571 -14.551 1.00 0.00 N ATOM 312 CA VAL A 26 10.841 -16.435 -13.509 1.00 0.00 C ATOM 313 C VAL A 26 9.791 -17.487 -13.147 1.00 0.00 C ATOM 314 O VAL A 26 10.123 -18.653 -12.936 1.00 0.00 O ATOM 315 CB VAL A 26 11.285 -15.596 -12.309 1.00 0.00 C ATOM 316 CG1 VAL A 26 11.768 -14.214 -12.754 1.00 0.00 C ATOM 317 CG2 VAL A 26 10.161 -15.477 -11.277 1.00 0.00 C ATOM 0 H VAL A 26 9.873 -14.715 -14.213 1.00 0.00 H new ATOM 0 HA VAL A 26 11.725 -16.966 -13.863 1.00 0.00 H new ATOM 0 HB VAL A 26 12.123 -16.107 -11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.078 -13.638 -11.882 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.613 -14.325 -13.434 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.958 -13.692 -13.264 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.503 -14.876 -10.434 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.295 -15.000 -11.736 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.884 -16.471 -10.925 1.00 0.00 H new ATOM 327 N GLU A 27 8.546 -17.039 -13.085 1.00 0.00 N ATOM 328 CA GLU A 27 7.446 -17.927 -12.752 1.00 0.00 C ATOM 329 C GLU A 27 7.647 -19.292 -13.414 1.00 0.00 C ATOM 330 O GLU A 27 8.078 -19.371 -14.563 1.00 0.00 O ATOM 331 CB GLU A 27 6.104 -17.314 -13.157 1.00 0.00 C ATOM 332 CG GLU A 27 4.942 -18.231 -12.768 1.00 0.00 C ATOM 333 CD GLU A 27 4.085 -18.576 -13.987 1.00 0.00 C ATOM 334 OE1 GLU A 27 3.835 -19.761 -14.254 1.00 0.00 O ATOM 335 OE2 GLU A 27 3.672 -17.562 -14.669 1.00 0.00 O ATOM 0 H GLU A 27 8.275 -16.071 -13.260 1.00 0.00 H new ATOM 0 HA GLU A 27 7.433 -18.067 -11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.983 -16.344 -12.675 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.090 -17.140 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.330 -19.146 -12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.326 -17.743 -12.012 1.00 0.00 H new ATOM 343 N ALA A 28 7.324 -20.333 -12.660 1.00 0.00 N ATOM 344 CA ALA A 28 7.464 -21.690 -13.159 1.00 0.00 C ATOM 345 C ALA A 28 6.076 -22.304 -13.352 1.00 0.00 C ATOM 346 O ALA A 28 5.146 -21.989 -12.611 1.00 0.00 O ATOM 347 CB ALA A 28 8.331 -22.502 -12.195 1.00 0.00 C ATOM 0 H ALA A 28 6.966 -20.264 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 28 7.963 -21.692 -14.128 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.436 -23.520 -12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.316 -22.041 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.860 -22.524 -11.212 1.00 0.00 H new ATOM 353 N GLY A 29 5.980 -23.168 -14.351 1.00 0.00 N ATOM 354 CA GLY A 29 4.721 -23.829 -14.651 1.00 0.00 C ATOM 355 C GLY A 29 3.729 -22.854 -15.289 1.00 0.00 C ATOM 356 O GLY A 29 4.094 -21.734 -15.643 1.00 0.00 O ATOM 0 H GLY A 29 6.754 -23.426 -14.964 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.898 -24.667 -15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.295 -24.240 -13.736 1.00 0.00 H new ATOM 360 N ASN A 30 2.493 -23.315 -15.415 1.00 0.00 N ATOM 361 CA ASN A 30 1.446 -22.498 -16.003 1.00 0.00 C ATOM 362 C ASN A 30 0.306 -22.333 -14.995 1.00 0.00 C ATOM 363 O ASN A 30 -0.855 -22.574 -15.321 1.00 0.00 O ATOM 364 CB ASN A 30 0.873 -23.157 -17.260 1.00 0.00 C ATOM 365 CG ASN A 30 1.652 -22.731 -18.506 1.00 0.00 C ATOM 366 OD1 ASN A 30 2.827 -23.020 -18.664 1.00 0.00 O ATOM 367 ND2 ASN A 30 0.935 -22.030 -19.379 1.00 0.00 N ATOM 0 H ASN A 30 2.194 -24.244 -15.120 1.00 0.00 H new ATOM 0 HA ASN A 30 1.880 -21.534 -16.267 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.911 -24.241 -17.156 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.176 -22.884 -17.372 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.365 -21.699 -20.243 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.045 -21.823 -19.185 1.00 0.00 H new ATOM 374 N THR A 31 0.679 -21.924 -13.791 1.00 0.00 N ATOM 375 CA THR A 31 -0.297 -21.724 -12.734 1.00 0.00 C ATOM 376 C THR A 31 -0.502 -20.230 -12.473 1.00 0.00 C ATOM 377 O THR A 31 -1.602 -19.802 -12.126 1.00 0.00 O ATOM 378 CB THR A 31 0.176 -22.496 -11.501 1.00 0.00 C ATOM 379 OG1 THR A 31 1.443 -21.920 -11.195 1.00 0.00 O ATOM 380 CG2 THR A 31 0.499 -23.959 -11.815 1.00 0.00 C ATOM 0 H THR A 31 1.643 -21.726 -13.524 1.00 0.00 H new ATOM 0 HA THR A 31 -1.275 -22.109 -13.021 1.00 0.00 H new ATOM 0 HB THR A 31 -0.591 -22.451 -10.728 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.821 -22.361 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.830 -24.462 -10.906 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.393 -24.454 -12.199 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.290 -24.004 -12.563 1.00 0.00 H new ATOM 388 N GLY A 32 0.574 -19.478 -12.649 1.00 0.00 N ATOM 389 CA GLY A 32 0.526 -18.041 -12.437 1.00 0.00 C ATOM 390 C GLY A 32 1.147 -17.665 -11.091 1.00 0.00 C ATOM 391 O GLY A 32 0.816 -16.627 -10.519 1.00 0.00 O ATOM 0 H GLY A 32 1.485 -19.837 -12.936 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.058 -17.533 -13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.508 -17.699 -12.473 1.00 0.00 H new ATOM 395 N ARG A 33 2.038 -18.528 -10.624 1.00 0.00 N ATOM 396 CA ARG A 33 2.708 -18.299 -9.356 1.00 0.00 C ATOM 397 C ARG A 33 4.220 -18.477 -9.515 1.00 0.00 C ATOM 398 O ARG A 33 4.671 -19.367 -10.235 1.00 0.00 O ATOM 399 CB ARG A 33 2.198 -19.261 -8.281 1.00 0.00 C ATOM 400 CG ARG A 33 0.986 -18.677 -7.553 1.00 0.00 C ATOM 401 CD ARG A 33 1.142 -18.807 -6.037 1.00 0.00 C ATOM 402 NE ARG A 33 -0.186 -18.969 -5.403 1.00 0.00 N ATOM 403 CZ ARG A 33 -1.020 -17.945 -5.120 1.00 0.00 C ATOM 404 NH1 ARG A 33 -0.669 -16.675 -5.413 1.00 0.00 N ATOM 405 NH2 ARG A 33 -2.183 -18.205 -4.553 1.00 0.00 N ATOM 0 H ARG A 33 2.311 -19.387 -11.102 1.00 0.00 H new ATOM 0 HA ARG A 33 2.489 -17.277 -9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.928 -20.213 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.993 -19.466 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.867 -17.627 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.081 -19.192 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.774 -19.663 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.640 -17.923 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.490 -19.913 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.232 -16.483 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.305 -15.907 -5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.440 -19.168 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.825 -17.443 -4.333 1.00 0.00 H new ATOM 418 N VAL A 34 4.960 -17.618 -8.830 1.00 0.00 N ATOM 419 CA VAL A 34 6.411 -17.670 -8.886 1.00 0.00 C ATOM 420 C VAL A 34 6.930 -18.554 -7.751 1.00 0.00 C ATOM 421 O VAL A 34 6.756 -18.229 -6.577 1.00 0.00 O ATOM 422 CB VAL A 34 6.987 -16.253 -8.851 1.00 0.00 C ATOM 423 CG1 VAL A 34 8.514 -16.284 -8.752 1.00 0.00 C ATOM 424 CG2 VAL A 34 6.533 -15.446 -10.070 1.00 0.00 C ATOM 0 H VAL A 34 4.582 -16.882 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 34 6.741 -18.118 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 34 6.603 -15.757 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.898 -15.264 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.809 -16.804 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.924 -16.806 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.956 -14.443 -10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.874 -15.939 -10.980 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.445 -15.381 -10.078 1.00 0.00 H new ATOM 434 N LEU A 35 7.557 -19.654 -8.140 1.00 0.00 N ATOM 435 CA LEU A 35 8.102 -20.588 -7.169 1.00 0.00 C ATOM 436 C LEU A 35 9.164 -19.878 -6.326 1.00 0.00 C ATOM 437 O LEU A 35 9.598 -20.400 -5.300 1.00 0.00 O ATOM 438 CB LEU A 35 8.613 -21.849 -7.867 1.00 0.00 C ATOM 439 CG LEU A 35 7.823 -23.132 -7.599 1.00 0.00 C ATOM 440 CD1 LEU A 35 8.203 -24.229 -8.595 1.00 0.00 C ATOM 441 CD2 LEU A 35 7.996 -23.589 -6.149 1.00 0.00 C ATOM 0 H LEU A 35 7.700 -19.920 -9.114 1.00 0.00 H new ATOM 0 HA LEU A 35 7.323 -20.924 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.619 -21.668 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.647 -22.013 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 35 6.764 -22.918 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.627 -25.129 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.986 -23.891 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.267 -24.449 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.425 -24.503 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.051 -23.780 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.636 -22.810 -5.477 1.00 0.00 H new ATOM 453 N ALA A 36 9.551 -18.699 -6.790 1.00 0.00 N ATOM 454 CA ALA A 36 10.553 -17.913 -6.091 1.00 0.00 C ATOM 455 C ALA A 36 11.947 -18.370 -6.525 1.00 0.00 C ATOM 456 O ALA A 36 12.789 -17.550 -6.888 1.00 0.00 O ATOM 457 CB ALA A 36 10.341 -18.040 -4.582 1.00 0.00 C ATOM 0 H ALA A 36 9.189 -18.269 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 36 10.458 -16.857 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.093 -17.450 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.347 -17.675 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.431 -19.086 -4.289 1.00 0.00 H new ATOM 463 N LEU A 37 12.149 -19.679 -6.472 1.00 0.00 N ATOM 464 CA LEU A 37 13.426 -20.256 -6.855 1.00 0.00 C ATOM 465 C LEU A 37 13.909 -19.601 -8.151 1.00 0.00 C ATOM 466 O LEU A 37 15.079 -19.242 -8.271 1.00 0.00 O ATOM 467 CB LEU A 37 13.323 -21.780 -6.938 1.00 0.00 C ATOM 468 CG LEU A 37 13.437 -22.533 -5.611 1.00 0.00 C ATOM 469 CD1 LEU A 37 14.860 -22.452 -5.055 1.00 0.00 C ATOM 470 CD2 LEU A 37 12.398 -22.032 -4.605 1.00 0.00 C ATOM 0 H LEU A 37 11.449 -20.356 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 37 14.179 -20.052 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.368 -22.035 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.105 -22.141 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 37 13.224 -23.586 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.913 -22.995 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.555 -22.895 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.127 -21.408 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.501 -22.584 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.555 -20.970 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.397 -22.185 -5.009 1.00 0.00 H new ATOM 482 N ASP A 38 12.983 -19.464 -9.088 1.00 0.00 N ATOM 483 CA ASP A 38 13.299 -18.859 -10.371 1.00 0.00 C ATOM 484 C ASP A 38 13.542 -17.361 -10.176 1.00 0.00 C ATOM 485 O ASP A 38 14.393 -16.775 -10.843 1.00 0.00 O ATOM 486 CB ASP A 38 12.143 -19.026 -11.359 1.00 0.00 C ATOM 487 CG ASP A 38 12.301 -20.182 -12.349 1.00 0.00 C ATOM 488 OD1 ASP A 38 12.616 -19.973 -13.530 1.00 0.00 O ATOM 489 OD2 ASP A 38 12.082 -21.354 -11.858 1.00 0.00 O ATOM 0 H ASP A 38 12.013 -19.762 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 38 14.186 -19.353 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.222 -19.173 -10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.028 -18.099 -11.921 1.00 0.00 H new ATOM 495 N ALA A 39 12.778 -16.784 -9.260 1.00 0.00 N ATOM 496 CA ALA A 39 12.899 -15.366 -8.970 1.00 0.00 C ATOM 497 C ALA A 39 14.338 -15.056 -8.551 1.00 0.00 C ATOM 498 O ALA A 39 14.867 -13.993 -8.873 1.00 0.00 O ATOM 499 CB ALA A 39 11.883 -14.976 -7.894 1.00 0.00 C ATOM 0 H ALA A 39 12.073 -17.273 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 39 12.678 -14.773 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.974 -13.912 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.875 -15.189 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.075 -15.549 -6.987 1.00 0.00 H new ATOM 505 N ALA A 40 14.931 -16.005 -7.841 1.00 0.00 N ATOM 506 CA ALA A 40 16.298 -15.847 -7.375 1.00 0.00 C ATOM 507 C ALA A 40 17.259 -16.048 -8.549 1.00 0.00 C ATOM 508 O ALA A 40 18.376 -15.535 -8.536 1.00 0.00 O ATOM 509 CB ALA A 40 16.564 -16.827 -6.230 1.00 0.00 C ATOM 0 H ALA A 40 14.490 -16.886 -7.577 1.00 0.00 H new ATOM 0 HA ALA A 40 16.457 -14.841 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 40 17.590 -16.708 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 15.875 -16.624 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 40 16.417 -17.848 -6.583 1.00 0.00 H new ATOM 515 N ALA A 41 16.788 -16.796 -9.536 1.00 0.00 N ATOM 516 CA ALA A 41 17.591 -17.071 -10.715 1.00 0.00 C ATOM 517 C ALA A 41 17.645 -15.818 -11.593 1.00 0.00 C ATOM 518 O ALA A 41 18.717 -15.421 -12.047 1.00 0.00 O ATOM 519 CB ALA A 41 17.012 -18.277 -11.457 1.00 0.00 C ATOM 0 H ALA A 41 15.860 -17.220 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 41 18.614 -17.321 -10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 41 17.614 -18.483 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.021 -19.147 -10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.987 -18.061 -11.758 1.00 0.00 H new ATOM 525 N PHE A 42 16.477 -15.232 -11.805 1.00 0.00 N ATOM 526 CA PHE A 42 16.378 -14.033 -12.620 1.00 0.00 C ATOM 527 C PHE A 42 17.178 -12.883 -12.003 1.00 0.00 C ATOM 528 O PHE A 42 17.913 -12.188 -12.703 1.00 0.00 O ATOM 529 CB PHE A 42 14.900 -13.643 -12.665 1.00 0.00 C ATOM 530 CG PHE A 42 14.652 -12.187 -13.067 1.00 0.00 C ATOM 531 CD1 PHE A 42 14.864 -11.791 -14.351 1.00 0.00 C ATOM 532 CD2 PHE A 42 14.220 -11.290 -12.141 1.00 0.00 C ATOM 533 CE1 PHE A 42 14.634 -10.440 -14.723 1.00 0.00 C ATOM 534 CE2 PHE A 42 13.990 -9.940 -12.514 1.00 0.00 C ATOM 535 CZ PHE A 42 14.202 -9.543 -13.797 1.00 0.00 C ATOM 0 H PHE A 42 15.590 -15.565 -11.427 1.00 0.00 H new ATOM 0 HA PHE A 42 16.778 -14.226 -13.615 1.00 0.00 H new ATOM 0 HB2 PHE A 42 14.384 -14.296 -13.368 1.00 0.00 H new ATOM 0 HB3 PHE A 42 14.459 -13.819 -11.684 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.207 -12.503 -15.087 1.00 0.00 H new ATOM 0 HD2 PHE A 42 14.052 -11.605 -11.122 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.802 -10.125 -15.742 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.646 -9.228 -11.778 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.027 -8.516 -14.080 1.00 0.00 H new ATOM 545 N LEU A 43 17.008 -12.719 -10.700 1.00 0.00 N ATOM 546 CA LEU A 43 17.704 -11.666 -9.981 1.00 0.00 C ATOM 547 C LEU A 43 19.202 -11.756 -10.279 1.00 0.00 C ATOM 548 O LEU A 43 19.835 -10.752 -10.604 1.00 0.00 O ATOM 549 CB LEU A 43 17.370 -11.724 -8.489 1.00 0.00 C ATOM 550 CG LEU A 43 15.938 -11.342 -8.107 1.00 0.00 C ATOM 551 CD1 LEU A 43 15.544 -11.965 -6.767 1.00 0.00 C ATOM 552 CD2 LEU A 43 15.757 -9.823 -8.109 1.00 0.00 C ATOM 0 H LEU A 43 16.398 -13.298 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 43 17.368 -10.686 -10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.562 -12.736 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.055 -11.064 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 43 15.263 -11.747 -8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.522 -11.678 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.609 -13.051 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.220 -11.611 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 43 14.731 -9.578 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.442 -9.374 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.969 -9.433 -9.104 1.00 0.00 H new ATOM 564 N LYS A 44 19.726 -12.967 -10.158 1.00 0.00 N ATOM 565 CA LYS A 44 21.138 -13.200 -10.410 1.00 0.00 C ATOM 566 C LYS A 44 21.534 -12.529 -11.727 1.00 0.00 C ATOM 567 O LYS A 44 22.699 -12.192 -11.930 1.00 0.00 O ATOM 568 CB LYS A 44 21.449 -14.698 -10.366 1.00 0.00 C ATOM 569 CG LYS A 44 21.659 -15.171 -8.926 1.00 0.00 C ATOM 570 CD LYS A 44 22.939 -16.000 -8.803 1.00 0.00 C ATOM 571 CE LYS A 44 22.656 -17.351 -8.143 1.00 0.00 C ATOM 572 NZ LYS A 44 22.653 -17.217 -6.669 1.00 0.00 N ATOM 0 H LYS A 44 19.198 -13.797 -9.889 1.00 0.00 H new ATOM 0 HA LYS A 44 21.745 -12.748 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.631 -15.257 -10.821 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.343 -14.905 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.714 -14.309 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 44 20.804 -15.766 -8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.371 -16.157 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 44 23.676 -15.452 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.693 -17.733 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.411 -18.076 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.360 -18.118 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.609 -16.971 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 21.988 -16.468 -6.390 1.00 0.00 H new ATOM 583 N LYS A 45 20.541 -12.354 -12.587 1.00 0.00 N ATOM 584 CA LYS A 45 20.772 -11.728 -13.878 1.00 0.00 C ATOM 585 C LYS A 45 20.790 -10.208 -13.707 1.00 0.00 C ATOM 586 O LYS A 45 20.533 -9.470 -14.657 1.00 0.00 O ATOM 587 CB LYS A 45 19.746 -12.219 -14.902 1.00 0.00 C ATOM 588 CG LYS A 45 19.553 -13.734 -14.801 1.00 0.00 C ATOM 589 CD LYS A 45 19.853 -14.415 -16.138 1.00 0.00 C ATOM 590 CE LYS A 45 18.562 -14.849 -16.834 1.00 0.00 C ATOM 591 NZ LYS A 45 18.752 -16.150 -17.514 1.00 0.00 N ATOM 0 H LYS A 45 19.576 -12.635 -12.415 1.00 0.00 H new ATOM 0 HA LYS A 45 21.746 -12.016 -14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.793 -11.716 -14.738 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.076 -11.957 -15.907 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.208 -14.137 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 45 18.529 -13.954 -14.498 1.00 0.00 H new ATOM 0 HD2 LYS A 45 20.406 -13.731 -16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.491 -15.283 -15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.757 -14.928 -16.104 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.261 -14.093 -17.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.866 -16.430 -17.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.506 -16.063 -18.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.017 -16.872 -16.814 1.00 0.00 H new ATOM 602 N SER A 46 21.098 -9.785 -12.490 1.00 0.00 N ATOM 603 CA SER A 46 21.154 -8.366 -12.183 1.00 0.00 C ATOM 604 C SER A 46 22.600 -7.871 -12.255 1.00 0.00 C ATOM 605 O SER A 46 22.980 -7.188 -13.205 1.00 0.00 O ATOM 606 CB SER A 46 20.562 -8.078 -10.802 1.00 0.00 C ATOM 607 OG SER A 46 21.363 -8.619 -9.754 1.00 0.00 O ATOM 0 H SER A 46 21.311 -10.400 -11.705 1.00 0.00 H new ATOM 0 HA SER A 46 20.557 -7.832 -12.923 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.466 -7.001 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 46 19.557 -8.497 -10.744 1.00 0.00 H new ATOM 0 HG SER A 46 21.149 -9.568 -9.635 1.00 0.00 H new ATOM 613 N GLY A 47 23.368 -8.235 -11.238 1.00 0.00 N ATOM 614 CA GLY A 47 24.763 -7.837 -11.174 1.00 0.00 C ATOM 615 C GLY A 47 25.298 -7.939 -9.744 1.00 0.00 C ATOM 616 O GLY A 47 26.495 -8.129 -9.536 1.00 0.00 O ATOM 0 H GLY A 47 23.050 -8.801 -10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.356 -8.470 -11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.870 -6.814 -11.534 1.00 0.00 H new ATOM 620 N LEU A 48 24.383 -7.809 -8.794 1.00 0.00 N ATOM 621 CA LEU A 48 24.747 -7.884 -7.389 1.00 0.00 C ATOM 622 C LEU A 48 25.193 -9.310 -7.058 1.00 0.00 C ATOM 623 O LEU A 48 24.900 -10.244 -7.802 1.00 0.00 O ATOM 624 CB LEU A 48 23.601 -7.379 -6.511 1.00 0.00 C ATOM 625 CG LEU A 48 23.508 -5.861 -6.336 1.00 0.00 C ATOM 626 CD1 LEU A 48 22.100 -5.444 -5.907 1.00 0.00 C ATOM 627 CD2 LEU A 48 24.577 -5.354 -5.367 1.00 0.00 C ATOM 0 H LEU A 48 23.391 -7.652 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 48 25.592 -7.228 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.662 -7.734 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.698 -7.833 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 48 23.702 -5.393 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 48 22.061 -4.361 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.382 -5.753 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.852 -5.921 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.488 -4.273 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.440 -5.827 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.566 -5.601 -5.754 1.00 0.00 H new ATOM 639 N PRO A 49 25.914 -9.435 -5.911 1.00 0.00 N ATOM 640 CA PRO A 49 26.403 -10.730 -5.472 1.00 0.00 C ATOM 641 C PRO A 49 25.269 -11.578 -4.893 1.00 0.00 C ATOM 642 O PRO A 49 24.095 -11.258 -5.076 1.00 0.00 O ATOM 643 CB PRO A 49 27.489 -10.417 -4.456 1.00 0.00 C ATOM 644 CG PRO A 49 27.250 -8.981 -4.020 1.00 0.00 C ATOM 645 CD PRO A 49 26.280 -8.350 -5.005 1.00 0.00 C ATOM 0 HA PRO A 49 26.803 -11.328 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 49 27.436 -11.097 -3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.480 -10.532 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 49 26.841 -8.952 -3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.188 -8.427 -4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 49 25.405 -7.947 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 49 26.744 -7.524 -5.544 1.00 0.00 H new ATOM 653 N ASP A 50 25.659 -12.641 -4.205 1.00 0.00 N ATOM 654 CA ASP A 50 24.689 -13.536 -3.598 1.00 0.00 C ATOM 655 C ASP A 50 24.500 -13.155 -2.128 1.00 0.00 C ATOM 656 O ASP A 50 23.389 -13.219 -1.604 1.00 0.00 O ATOM 657 CB ASP A 50 25.170 -14.988 -3.652 1.00 0.00 C ATOM 658 CG ASP A 50 25.262 -15.587 -5.056 1.00 0.00 C ATOM 659 OD1 ASP A 50 24.713 -16.665 -5.328 1.00 0.00 O ATOM 660 OD2 ASP A 50 25.941 -14.890 -5.903 1.00 0.00 O ATOM 0 H ASP A 50 26.633 -12.902 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 50 23.754 -13.445 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 50 26.152 -15.047 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 50 24.495 -15.601 -3.055 1.00 0.00 H new ATOM 666 N LEU A 51 25.602 -12.766 -1.504 1.00 0.00 N ATOM 667 CA LEU A 51 25.572 -12.375 -0.105 1.00 0.00 C ATOM 668 C LEU A 51 24.628 -11.182 0.066 1.00 0.00 C ATOM 669 O LEU A 51 23.709 -11.226 0.881 1.00 0.00 O ATOM 670 CB LEU A 51 26.989 -12.116 0.410 1.00 0.00 C ATOM 671 CG LEU A 51 27.418 -10.649 0.486 1.00 0.00 C ATOM 672 CD1 LEU A 51 28.471 -10.442 1.576 1.00 0.00 C ATOM 673 CD2 LEU A 51 27.898 -10.147 -0.878 1.00 0.00 C ATOM 0 H LEU A 51 26.522 -12.713 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 51 25.178 -13.185 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 51 27.078 -12.552 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 51 27.691 -12.646 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 51 26.548 -10.052 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 51 28.759 -9.391 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 51 28.058 -10.736 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 51 29.347 -11.051 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.197 -9.102 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.749 -10.743 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 51 27.090 -10.238 -1.604 1.00 0.00 H new ATOM 685 N ILE A 52 24.889 -10.145 -0.717 1.00 0.00 N ATOM 686 CA ILE A 52 24.075 -8.943 -0.662 1.00 0.00 C ATOM 687 C ILE A 52 22.644 -9.282 -1.086 1.00 0.00 C ATOM 688 O ILE A 52 21.687 -8.710 -0.566 1.00 0.00 O ATOM 689 CB ILE A 52 24.713 -7.826 -1.490 1.00 0.00 C ATOM 690 CG1 ILE A 52 25.930 -7.239 -0.773 1.00 0.00 C ATOM 691 CG2 ILE A 52 23.684 -6.751 -1.846 1.00 0.00 C ATOM 692 CD1 ILE A 52 25.577 -5.920 -0.082 1.00 0.00 C ATOM 0 H ILE A 52 25.653 -10.113 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 52 24.024 -8.563 0.358 1.00 0.00 H new ATOM 0 HB ILE A 52 25.067 -8.255 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 52 26.301 -7.952 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 52 26.734 -7.074 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 52 24.164 -5.969 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 52 22.877 -7.198 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.278 -6.319 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 52 26.460 -5.524 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 52 25.230 -5.202 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 52 24.790 -6.093 0.652 1.00 0.00 H new ATOM 704 N LEU A 53 22.543 -10.210 -2.026 1.00 0.00 N ATOM 705 CA LEU A 53 21.246 -10.632 -2.525 1.00 0.00 C ATOM 706 C LEU A 53 20.454 -11.283 -1.389 1.00 0.00 C ATOM 707 O LEU A 53 19.310 -10.911 -1.132 1.00 0.00 O ATOM 708 CB LEU A 53 21.410 -11.529 -3.754 1.00 0.00 C ATOM 709 CG LEU A 53 21.302 -10.833 -5.112 1.00 0.00 C ATOM 710 CD1 LEU A 53 21.444 -11.838 -6.256 1.00 0.00 C ATOM 711 CD2 LEU A 53 20.005 -10.028 -5.214 1.00 0.00 C ATOM 0 H LEU A 53 23.339 -10.682 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 53 20.670 -9.771 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 53 22.382 -12.018 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 53 20.655 -12.314 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 53 22.127 -10.126 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 53 21.363 -11.317 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 53 22.415 -12.328 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.655 -12.586 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.953 -9.543 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.152 -10.696 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.984 -9.270 -4.431 1.00 0.00 H new ATOM 723 N GLY A 54 21.094 -12.244 -0.740 1.00 0.00 N ATOM 724 CA GLY A 54 20.464 -12.951 0.362 1.00 0.00 C ATOM 725 C GLY A 54 19.681 -11.987 1.255 1.00 0.00 C ATOM 726 O GLY A 54 18.544 -12.268 1.631 1.00 0.00 O ATOM 0 H GLY A 54 22.043 -12.550 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 54 19.794 -13.717 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.224 -13.463 0.952 1.00 0.00 H new ATOM 730 N LYS A 55 20.321 -10.870 1.570 1.00 0.00 N ATOM 731 CA LYS A 55 19.698 -9.863 2.412 1.00 0.00 C ATOM 732 C LYS A 55 18.386 -9.408 1.770 1.00 0.00 C ATOM 733 O LYS A 55 17.370 -9.276 2.452 1.00 0.00 O ATOM 734 CB LYS A 55 20.675 -8.719 2.690 1.00 0.00 C ATOM 735 CG LYS A 55 21.810 -9.178 3.608 1.00 0.00 C ATOM 736 CD LYS A 55 22.369 -8.006 4.417 1.00 0.00 C ATOM 737 CE LYS A 55 23.748 -8.343 4.988 1.00 0.00 C ATOM 738 NZ LYS A 55 24.321 -7.169 5.684 1.00 0.00 N ATOM 0 H LYS A 55 21.264 -10.640 1.257 1.00 0.00 H new ATOM 0 HA LYS A 55 19.448 -10.283 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.088 -8.352 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.144 -7.886 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 55 21.445 -9.951 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.606 -9.626 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.440 -7.122 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 55 21.685 -7.761 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.667 -9.180 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 55 24.414 -8.658 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.257 -7.414 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 24.417 -6.380 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 23.693 -6.886 6.463 1.00 0.00 H new ATOM 749 N ILE A 56 18.449 -9.181 0.466 1.00 0.00 N ATOM 750 CA ILE A 56 17.278 -8.744 -0.275 1.00 0.00 C ATOM 751 C ILE A 56 16.144 -9.751 -0.069 1.00 0.00 C ATOM 752 O ILE A 56 15.046 -9.379 0.342 1.00 0.00 O ATOM 753 CB ILE A 56 17.632 -8.508 -1.745 1.00 0.00 C ATOM 754 CG1 ILE A 56 18.700 -7.421 -1.884 1.00 0.00 C ATOM 755 CG2 ILE A 56 16.380 -8.191 -2.566 1.00 0.00 C ATOM 756 CD1 ILE A 56 18.991 -7.124 -3.357 1.00 0.00 C ATOM 0 H ILE A 56 19.293 -9.292 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 56 16.925 -7.784 0.102 1.00 0.00 H new ATOM 0 HB ILE A 56 18.056 -9.428 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 56 18.366 -6.511 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 56 19.616 -7.740 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.659 -8.028 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.683 -9.027 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.905 -7.292 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 56 19.753 -6.348 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.348 -8.030 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 56 18.079 -6.782 -3.846 1.00 0.00 H new ATOM 768 N TRP A 57 16.450 -11.006 -0.364 1.00 0.00 N ATOM 769 CA TRP A 57 15.470 -12.069 -0.217 1.00 0.00 C ATOM 770 C TRP A 57 14.955 -12.040 1.224 1.00 0.00 C ATOM 771 O TRP A 57 13.751 -11.936 1.454 1.00 0.00 O ATOM 772 CB TRP A 57 16.065 -13.422 -0.612 1.00 0.00 C ATOM 773 CG TRP A 57 15.027 -14.533 -0.782 1.00 0.00 C ATOM 774 CD1 TRP A 57 14.465 -15.289 0.171 1.00 0.00 C ATOM 775 CD2 TRP A 57 14.447 -14.984 -2.023 1.00 0.00 C ATOM 776 NE1 TRP A 57 13.568 -16.191 -0.364 1.00 0.00 N ATOM 777 CE2 TRP A 57 13.557 -16.000 -1.741 1.00 0.00 C ATOM 778 CE3 TRP A 57 14.667 -14.549 -3.342 1.00 0.00 C ATOM 779 CZ2 TRP A 57 12.815 -16.666 -2.724 1.00 0.00 C ATOM 780 CZ3 TRP A 57 13.918 -15.224 -4.313 1.00 0.00 C ATOM 781 CH2 TRP A 57 13.018 -16.249 -4.045 1.00 0.00 C ATOM 0 H TRP A 57 17.362 -11.311 -0.704 1.00 0.00 H new ATOM 0 HA TRP A 57 14.628 -11.914 -0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 57 16.615 -13.307 -1.546 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.786 -13.726 0.147 1.00 0.00 H new ATOM 0 HD1 TRP A 57 14.686 -15.203 1.225 1.00 0.00 H new ATOM 0 HE1 TRP A 57 13.015 -16.873 0.155 1.00 0.00 H new ATOM 0 HE3 TRP A 57 15.359 -13.757 -3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.124 -17.458 -2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 14.049 -14.927 -5.343 1.00 0.00 H new ATOM 0 HH2 TRP A 57 12.478 -16.721 -4.852 1.00 0.00 H new ATOM 792 N ASP A 58 15.892 -12.135 2.156 1.00 0.00 N ATOM 793 CA ASP A 58 15.547 -12.121 3.567 1.00 0.00 C ATOM 794 C ASP A 58 14.501 -11.033 3.822 1.00 0.00 C ATOM 795 O ASP A 58 13.479 -11.287 4.457 1.00 0.00 O ATOM 796 CB ASP A 58 16.772 -11.810 4.430 1.00 0.00 C ATOM 797 CG ASP A 58 16.639 -12.196 5.905 1.00 0.00 C ATOM 798 OD1 ASP A 58 16.390 -11.342 6.769 1.00 0.00 O ATOM 799 OD2 ASP A 58 16.803 -13.451 6.156 1.00 0.00 O ATOM 0 H ASP A 58 16.889 -12.222 1.961 1.00 0.00 H new ATOM 0 HA ASP A 58 15.161 -13.106 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.634 -12.328 4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.981 -10.742 4.367 1.00 0.00 H new ATOM 805 N LEU A 59 14.793 -9.846 3.313 1.00 0.00 N ATOM 806 CA LEU A 59 13.890 -8.719 3.477 1.00 0.00 C ATOM 807 C LEU A 59 12.645 -8.939 2.617 1.00 0.00 C ATOM 808 O LEU A 59 11.554 -8.496 2.972 1.00 0.00 O ATOM 809 CB LEU A 59 14.616 -7.404 3.184 1.00 0.00 C ATOM 810 CG LEU A 59 13.740 -6.150 3.140 1.00 0.00 C ATOM 811 CD1 LEU A 59 13.071 -5.996 1.773 1.00 0.00 C ATOM 812 CD2 LEU A 59 12.719 -6.154 4.280 1.00 0.00 C ATOM 0 H LEU A 59 15.642 -9.639 2.787 1.00 0.00 H new ATOM 0 HA LEU A 59 13.554 -8.647 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 59 15.385 -7.260 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.127 -7.500 2.226 1.00 0.00 H new ATOM 0 HG LEU A 59 14.381 -5.281 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.454 -5.097 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.836 -5.915 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.445 -6.866 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.109 -5.252 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.078 -7.031 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.241 -6.182 5.236 1.00 0.00 H new ATOM 824 N ALA A 60 12.848 -9.624 1.501 1.00 0.00 N ATOM 825 CA ALA A 60 11.755 -9.909 0.587 1.00 0.00 C ATOM 826 C ALA A 60 10.774 -10.872 1.257 1.00 0.00 C ATOM 827 O ALA A 60 9.648 -10.494 1.577 1.00 0.00 O ATOM 828 CB ALA A 60 12.317 -10.466 -0.723 1.00 0.00 C ATOM 0 H ALA A 60 13.754 -9.990 1.209 1.00 0.00 H new ATOM 0 HA ALA A 60 11.209 -8.997 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.497 -10.680 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.985 -9.732 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.870 -11.383 -0.521 1.00 0.00 H new ATOM 834 N ASP A 61 11.236 -12.098 1.450 1.00 0.00 N ATOM 835 CA ASP A 61 10.413 -13.119 2.077 1.00 0.00 C ATOM 836 C ASP A 61 9.598 -12.487 3.207 1.00 0.00 C ATOM 837 O ASP A 61 10.155 -11.833 4.088 1.00 0.00 O ATOM 838 CB ASP A 61 11.276 -14.229 2.679 1.00 0.00 C ATOM 839 CG ASP A 61 10.497 -15.422 3.237 1.00 0.00 C ATOM 840 OD1 ASP A 61 10.114 -16.339 2.495 1.00 0.00 O ATOM 841 OD2 ASP A 61 10.284 -15.387 4.509 1.00 0.00 O ATOM 0 H ASP A 61 12.170 -12.408 1.183 1.00 0.00 H new ATOM 0 HA ASP A 61 9.762 -13.544 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.964 -14.589 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.882 -13.804 3.479 1.00 0.00 H new ATOM 847 N THR A 62 8.293 -12.706 3.146 1.00 0.00 N ATOM 848 CA THR A 62 7.396 -12.166 4.154 1.00 0.00 C ATOM 849 C THR A 62 6.057 -12.907 4.128 1.00 0.00 C ATOM 850 O THR A 62 5.508 -13.241 5.176 1.00 0.00 O ATOM 851 CB THR A 62 7.263 -10.661 3.912 1.00 0.00 C ATOM 852 OG1 THR A 62 8.425 -10.107 4.522 1.00 0.00 O ATOM 853 CG2 THR A 62 6.101 -10.043 4.692 1.00 0.00 C ATOM 0 H THR A 62 7.835 -13.250 2.415 1.00 0.00 H new ATOM 0 HA THR A 62 7.794 -12.314 5.158 1.00 0.00 H new ATOM 0 HB THR A 62 7.124 -10.476 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.069 -10.822 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.051 -8.974 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.167 -10.515 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.256 -10.199 5.760 1.00 0.00 H new ATOM 861 N ASP A 63 5.571 -13.142 2.918 1.00 0.00 N ATOM 862 CA ASP A 63 4.307 -13.836 2.741 1.00 0.00 C ATOM 863 C ASP A 63 4.307 -15.110 3.589 1.00 0.00 C ATOM 864 O ASP A 63 3.345 -15.384 4.304 1.00 0.00 O ATOM 865 CB ASP A 63 4.100 -14.241 1.280 1.00 0.00 C ATOM 866 CG ASP A 63 2.691 -14.728 0.937 1.00 0.00 C ATOM 867 OD1 ASP A 63 1.689 -14.159 1.396 1.00 0.00 O ATOM 868 OD2 ASP A 63 2.644 -15.752 0.154 1.00 0.00 O ATOM 0 H ASP A 63 6.030 -12.864 2.051 1.00 0.00 H new ATOM 0 HA ASP A 63 3.507 -13.161 3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.338 -13.388 0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.811 -15.030 1.033 1.00 0.00 H new ATOM 874 N GLY A 64 5.398 -15.854 3.481 1.00 0.00 N ATOM 875 CA GLY A 64 5.537 -17.092 4.229 1.00 0.00 C ATOM 876 C GLY A 64 6.114 -18.203 3.349 1.00 0.00 C ATOM 877 O GLY A 64 7.153 -18.777 3.669 1.00 0.00 O ATOM 0 H GLY A 64 6.194 -15.623 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.187 -16.930 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.565 -17.398 4.617 1.00 0.00 H new ATOM 881 N LYS A 65 5.414 -18.473 2.256 1.00 0.00 N ATOM 882 CA LYS A 65 5.844 -19.504 1.328 1.00 0.00 C ATOM 883 C LYS A 65 6.904 -18.928 0.387 1.00 0.00 C ATOM 884 O LYS A 65 6.782 -17.792 -0.070 1.00 0.00 O ATOM 885 CB LYS A 65 4.639 -20.107 0.602 1.00 0.00 C ATOM 886 CG LYS A 65 4.969 -21.497 0.053 1.00 0.00 C ATOM 887 CD LYS A 65 3.813 -22.043 -0.787 1.00 0.00 C ATOM 888 CE LYS A 65 4.158 -23.417 -1.366 1.00 0.00 C ATOM 889 NZ LYS A 65 3.592 -23.563 -2.726 1.00 0.00 N ATOM 0 H LYS A 65 4.552 -17.995 1.993 1.00 0.00 H new ATOM 0 HA LYS A 65 6.310 -20.330 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.793 -20.174 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.337 -19.452 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.873 -21.447 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.177 -22.178 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.916 -22.118 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.588 -21.349 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.240 -23.542 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.767 -24.200 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.835 -24.501 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.558 -23.464 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.985 -22.827 -3.346 1.00 0.00 H new ATOM 900 N GLY A 66 7.920 -19.737 0.126 1.00 0.00 N ATOM 901 CA GLY A 66 9.001 -19.322 -0.752 1.00 0.00 C ATOM 902 C GLY A 66 8.465 -18.520 -1.940 1.00 0.00 C ATOM 903 O GLY A 66 9.059 -17.519 -2.337 1.00 0.00 O ATOM 0 H GLY A 66 8.018 -20.678 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.716 -18.718 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.538 -20.199 -1.113 1.00 0.00 H new ATOM 907 N VAL A 67 7.348 -18.991 -2.475 1.00 0.00 N ATOM 908 CA VAL A 67 6.725 -18.331 -3.610 1.00 0.00 C ATOM 909 C VAL A 67 6.729 -16.818 -3.379 1.00 0.00 C ATOM 910 O VAL A 67 6.596 -16.359 -2.246 1.00 0.00 O ATOM 911 CB VAL A 67 5.322 -18.897 -3.839 1.00 0.00 C ATOM 912 CG1 VAL A 67 4.679 -18.280 -5.083 1.00 0.00 C ATOM 913 CG2 VAL A 67 5.357 -20.423 -3.940 1.00 0.00 C ATOM 0 H VAL A 67 6.858 -19.822 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 67 7.291 -18.523 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 67 4.708 -18.632 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.683 -18.699 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.604 -17.200 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.292 -18.501 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.347 -20.800 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.993 -20.718 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.755 -20.840 -3.015 1.00 0.00 H new ATOM 923 N LEU A 68 6.882 -16.085 -4.472 1.00 0.00 N ATOM 924 CA LEU A 68 6.905 -14.634 -4.403 1.00 0.00 C ATOM 925 C LEU A 68 5.533 -14.087 -4.803 1.00 0.00 C ATOM 926 O LEU A 68 4.675 -14.835 -5.271 1.00 0.00 O ATOM 927 CB LEU A 68 8.058 -14.076 -5.241 1.00 0.00 C ATOM 928 CG LEU A 68 9.462 -14.526 -4.833 1.00 0.00 C ATOM 929 CD1 LEU A 68 10.532 -13.711 -5.561 1.00 0.00 C ATOM 930 CD2 LEU A 68 9.636 -14.473 -3.314 1.00 0.00 C ATOM 0 H LEU A 68 6.991 -16.469 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 68 7.095 -14.304 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.895 -14.359 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.020 -12.988 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 68 9.588 -15.566 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.521 -14.051 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.421 -13.844 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.417 -12.656 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.643 -14.798 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.482 -13.452 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.907 -15.132 -2.841 1.00 0.00 H new ATOM 942 N SER A 69 5.369 -12.788 -4.605 1.00 0.00 N ATOM 943 CA SER A 69 4.117 -12.132 -4.940 1.00 0.00 C ATOM 944 C SER A 69 4.373 -10.975 -5.907 1.00 0.00 C ATOM 945 O SER A 69 5.305 -11.026 -6.708 1.00 0.00 O ATOM 946 CB SER A 69 3.408 -11.625 -3.682 1.00 0.00 C ATOM 947 OG SER A 69 3.460 -12.574 -2.620 1.00 0.00 O ATOM 0 H SER A 69 6.083 -12.172 -4.217 1.00 0.00 H new ATOM 0 HA SER A 69 3.467 -12.862 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.869 -10.692 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.368 -11.401 -3.918 1.00 0.00 H new ATOM 0 HG SER A 69 2.998 -12.212 -1.835 1.00 0.00 H new ATOM 953 N LYS A 70 3.530 -9.959 -5.802 1.00 0.00 N ATOM 954 CA LYS A 70 3.654 -8.791 -6.657 1.00 0.00 C ATOM 955 C LYS A 70 4.696 -7.840 -6.067 1.00 0.00 C ATOM 956 O LYS A 70 5.883 -7.946 -6.373 1.00 0.00 O ATOM 957 CB LYS A 70 2.286 -8.143 -6.880 1.00 0.00 C ATOM 958 CG LYS A 70 1.394 -9.030 -7.751 1.00 0.00 C ATOM 959 CD LYS A 70 0.272 -9.660 -6.922 1.00 0.00 C ATOM 960 CE LYS A 70 -1.089 -9.443 -7.588 1.00 0.00 C ATOM 961 NZ LYS A 70 -1.924 -8.531 -6.774 1.00 0.00 N ATOM 0 H LYS A 70 2.757 -9.920 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 70 4.010 -9.079 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.802 -7.967 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.414 -7.171 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.965 -8.438 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.994 -9.814 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.457 -10.728 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.265 -9.225 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.950 -9.026 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.597 -10.399 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.844 -8.394 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.071 -8.944 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.444 -7.613 -6.679 1.00 0.00 H new ATOM 972 N GLN A 71 4.216 -6.931 -5.231 1.00 0.00 N ATOM 973 CA GLN A 71 5.091 -5.962 -4.595 1.00 0.00 C ATOM 974 C GLN A 71 6.412 -6.623 -4.193 1.00 0.00 C ATOM 975 O GLN A 71 7.485 -6.084 -4.459 1.00 0.00 O ATOM 976 CB GLN A 71 4.410 -5.318 -3.385 1.00 0.00 C ATOM 977 CG GLN A 71 3.359 -4.298 -3.826 1.00 0.00 C ATOM 978 CD GLN A 71 2.140 -4.332 -2.902 1.00 0.00 C ATOM 979 OE1 GLN A 71 1.305 -5.219 -2.966 1.00 0.00 O ATOM 980 NE2 GLN A 71 2.085 -3.319 -2.042 1.00 0.00 N ATOM 0 H GLN A 71 3.231 -6.845 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 71 5.306 -5.171 -5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.940 -6.089 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.157 -4.829 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.794 -3.298 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.050 -4.509 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.818 -2.610 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.310 -3.251 -1.383 1.00 0.00 H new ATOM 989 N GLU A 72 6.289 -7.780 -3.560 1.00 0.00 N ATOM 990 CA GLU A 72 7.459 -8.520 -3.119 1.00 0.00 C ATOM 991 C GLU A 72 8.530 -8.519 -4.212 1.00 0.00 C ATOM 992 O GLU A 72 9.547 -7.838 -4.090 1.00 0.00 O ATOM 993 CB GLU A 72 7.086 -9.948 -2.717 1.00 0.00 C ATOM 994 CG GLU A 72 6.423 -9.974 -1.338 1.00 0.00 C ATOM 995 CD GLU A 72 7.473 -10.033 -0.227 1.00 0.00 C ATOM 996 OE1 GLU A 72 7.810 -8.995 0.363 1.00 0.00 O ATOM 997 OE2 GLU A 72 7.943 -11.209 0.018 1.00 0.00 O ATOM 0 H GLU A 72 5.397 -8.223 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 72 7.867 -8.025 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.409 -10.373 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.980 -10.572 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.804 -9.086 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.762 -10.837 -1.265 1.00 0.00 H new ATOM 1005 N PHE A 73 8.265 -9.291 -5.256 1.00 0.00 N ATOM 1006 CA PHE A 73 9.193 -9.388 -6.370 1.00 0.00 C ATOM 1007 C PHE A 73 9.464 -8.012 -6.979 1.00 0.00 C ATOM 1008 O PHE A 73 10.598 -7.702 -7.341 1.00 0.00 O ATOM 1009 CB PHE A 73 8.533 -10.279 -7.425 1.00 0.00 C ATOM 1010 CG PHE A 73 9.240 -10.264 -8.781 1.00 0.00 C ATOM 1011 CD1 PHE A 73 8.946 -9.296 -9.691 1.00 0.00 C ATOM 1012 CD2 PHE A 73 10.163 -11.218 -9.079 1.00 0.00 C ATOM 1013 CE1 PHE A 73 9.602 -9.282 -10.950 1.00 0.00 C ATOM 1014 CE2 PHE A 73 10.818 -11.204 -10.338 1.00 0.00 C ATOM 1015 CZ PHE A 73 10.525 -10.236 -11.247 1.00 0.00 C ATOM 0 H PHE A 73 7.421 -9.855 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 73 10.144 -9.798 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.503 -11.303 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.500 -9.959 -7.562 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.213 -8.538 -9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.397 -11.986 -8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.368 -8.514 -11.672 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.550 -11.963 -10.574 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.025 -10.225 -12.204 1.00 0.00 H new ATOM 1025 N PHE A 74 8.405 -7.222 -7.073 1.00 0.00 N ATOM 1026 CA PHE A 74 8.514 -5.885 -7.632 1.00 0.00 C ATOM 1027 C PHE A 74 9.361 -4.983 -6.733 1.00 0.00 C ATOM 1028 O PHE A 74 9.732 -3.878 -7.128 1.00 0.00 O ATOM 1029 CB PHE A 74 7.096 -5.317 -7.715 1.00 0.00 C ATOM 1030 CG PHE A 74 6.500 -5.336 -9.124 1.00 0.00 C ATOM 1031 CD1 PHE A 74 6.034 -6.500 -9.650 1.00 0.00 C ATOM 1032 CD2 PHE A 74 6.434 -4.188 -9.850 1.00 0.00 C ATOM 1033 CE1 PHE A 74 5.480 -6.518 -10.957 1.00 0.00 C ATOM 1034 CE2 PHE A 74 5.880 -4.205 -11.157 1.00 0.00 C ATOM 1035 CZ PHE A 74 5.415 -5.369 -11.683 1.00 0.00 C ATOM 0 H PHE A 74 7.466 -7.482 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 74 8.992 -5.929 -8.611 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.448 -5.887 -7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.105 -4.290 -7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.085 -7.412 -9.073 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.803 -3.263 -9.432 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.110 -7.443 -11.375 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.828 -3.293 -11.733 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.994 -5.382 -12.677 1.00 0.00 H new ATOM 1045 N VAL A 75 9.643 -5.486 -5.540 1.00 0.00 N ATOM 1046 CA VAL A 75 10.439 -4.739 -4.582 1.00 0.00 C ATOM 1047 C VAL A 75 11.909 -5.137 -4.726 1.00 0.00 C ATOM 1048 O VAL A 75 12.756 -4.300 -5.033 1.00 0.00 O ATOM 1049 CB VAL A 75 9.896 -4.957 -3.168 1.00 0.00 C ATOM 1050 CG1 VAL A 75 11.037 -5.157 -2.168 1.00 0.00 C ATOM 1051 CG2 VAL A 75 8.991 -3.799 -2.743 1.00 0.00 C ATOM 0 H VAL A 75 9.334 -6.402 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 75 10.371 -3.669 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 75 9.294 -5.866 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.624 -5.310 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.624 -6.029 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.677 -4.274 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.619 -3.979 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.559 -2.869 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.150 -3.723 -3.432 1.00 0.00 H new ATOM 1061 N ALA A 76 12.168 -6.417 -4.497 1.00 0.00 N ATOM 1062 CA ALA A 76 13.521 -6.936 -4.597 1.00 0.00 C ATOM 1063 C ALA A 76 14.151 -6.456 -5.906 1.00 0.00 C ATOM 1064 O ALA A 76 15.369 -6.310 -5.995 1.00 0.00 O ATOM 1065 CB ALA A 76 13.491 -8.462 -4.490 1.00 0.00 C ATOM 0 H ALA A 76 11.463 -7.109 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 76 14.137 -6.563 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.506 -8.852 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.061 -8.751 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.884 -8.872 -5.298 1.00 0.00 H new ATOM 1071 N LEU A 77 13.294 -6.223 -6.888 1.00 0.00 N ATOM 1072 CA LEU A 77 13.751 -5.761 -8.188 1.00 0.00 C ATOM 1073 C LEU A 77 14.453 -4.411 -8.027 1.00 0.00 C ATOM 1074 O LEU A 77 15.668 -4.316 -8.190 1.00 0.00 O ATOM 1075 CB LEU A 77 12.592 -5.737 -9.186 1.00 0.00 C ATOM 1076 CG LEU A 77 12.756 -6.619 -10.426 1.00 0.00 C ATOM 1077 CD1 LEU A 77 11.534 -6.512 -11.340 1.00 0.00 C ATOM 1078 CD2 LEU A 77 14.055 -6.291 -11.164 1.00 0.00 C ATOM 0 H LEU A 77 12.284 -6.345 -6.810 1.00 0.00 H new ATOM 0 HA LEU A 77 14.483 -6.454 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.684 -6.042 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.442 -4.708 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 77 12.824 -7.657 -10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.676 -7.148 -12.214 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.645 -6.833 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.409 -5.478 -11.661 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.147 -6.932 -12.041 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.042 -5.247 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.903 -6.460 -10.500 1.00 0.00 H new ATOM 1090 N ARG A 78 13.657 -3.401 -7.708 1.00 0.00 N ATOM 1091 CA ARG A 78 14.187 -2.061 -7.523 1.00 0.00 C ATOM 1092 C ARG A 78 15.203 -2.044 -6.379 1.00 0.00 C ATOM 1093 O ARG A 78 16.093 -1.196 -6.347 1.00 0.00 O ATOM 1094 CB ARG A 78 13.068 -1.064 -7.216 1.00 0.00 C ATOM 1095 CG ARG A 78 12.333 -0.653 -8.495 1.00 0.00 C ATOM 1096 CD ARG A 78 13.318 -0.170 -9.561 1.00 0.00 C ATOM 1097 NE ARG A 78 13.572 -1.250 -10.541 1.00 0.00 N ATOM 1098 CZ ARG A 78 13.930 -1.037 -11.826 1.00 0.00 C ATOM 1099 NH1 ARG A 78 14.079 0.220 -12.296 1.00 0.00 N ATOM 1100 NH2 ARG A 78 14.132 -2.076 -12.614 1.00 0.00 N ATOM 0 H ARG A 78 12.649 -3.484 -7.573 1.00 0.00 H new ATOM 0 HA ARG A 78 14.676 -1.767 -8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.363 -1.508 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.485 -0.181 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.762 -1.499 -8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.618 0.138 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.916 0.706 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.254 0.135 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 78 13.470 -2.215 -10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.921 1.017 -11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.350 0.372 -13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.017 -3.022 -12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.403 -1.933 -13.587 1.00 0.00 H new ATOM 1113 N LEU A 79 15.035 -2.992 -5.468 1.00 0.00 N ATOM 1114 CA LEU A 79 15.926 -3.097 -4.325 1.00 0.00 C ATOM 1115 C LEU A 79 17.364 -3.267 -4.819 1.00 0.00 C ATOM 1116 O LEU A 79 18.289 -2.673 -4.266 1.00 0.00 O ATOM 1117 CB LEU A 79 15.463 -4.212 -3.386 1.00 0.00 C ATOM 1118 CG LEU A 79 15.577 -3.918 -1.888 1.00 0.00 C ATOM 1119 CD1 LEU A 79 14.842 -4.977 -1.064 1.00 0.00 C ATOM 1120 CD2 LEU A 79 17.041 -3.777 -1.467 1.00 0.00 C ATOM 0 H LEU A 79 14.295 -3.694 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 79 15.897 -2.181 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.422 -4.442 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.043 -5.109 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 79 15.092 -2.962 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.939 -4.745 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.787 -4.985 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.276 -5.957 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 79 17.094 -3.568 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.572 -4.704 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.501 -2.958 -2.020 1.00 0.00 H new ATOM 1132 N VAL A 80 17.508 -4.079 -5.856 1.00 0.00 N ATOM 1133 CA VAL A 80 18.818 -4.334 -6.431 1.00 0.00 C ATOM 1134 C VAL A 80 19.419 -3.017 -6.923 1.00 0.00 C ATOM 1135 O VAL A 80 20.614 -2.775 -6.758 1.00 0.00 O ATOM 1136 CB VAL A 80 18.709 -5.391 -7.533 1.00 0.00 C ATOM 1137 CG1 VAL A 80 19.998 -5.461 -8.354 1.00 0.00 C ATOM 1138 CG2 VAL A 80 18.357 -6.759 -6.947 1.00 0.00 C ATOM 0 H VAL A 80 16.739 -4.569 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 80 19.494 -4.738 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 80 17.901 -5.096 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.894 -6.219 -9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.188 -4.492 -8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.831 -5.721 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.286 -7.492 -7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.133 -7.065 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.401 -6.697 -6.427 1.00 0.00 H new ATOM 1148 N ALA A 81 18.564 -2.198 -7.518 1.00 0.00 N ATOM 1149 CA ALA A 81 18.996 -0.911 -8.036 1.00 0.00 C ATOM 1150 C ALA A 81 19.517 -0.051 -6.883 1.00 0.00 C ATOM 1151 O ALA A 81 20.179 0.960 -7.108 1.00 0.00 O ATOM 1152 CB ALA A 81 17.838 -0.246 -8.782 1.00 0.00 C ATOM 0 H ALA A 81 17.574 -2.401 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 81 19.812 -1.038 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 81 18.162 0.719 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.524 -0.883 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.001 -0.100 -8.099 1.00 0.00 H new ATOM 1158 N CYS A 82 19.198 -0.485 -5.672 1.00 0.00 N ATOM 1159 CA CYS A 82 19.625 0.232 -4.483 1.00 0.00 C ATOM 1160 C CYS A 82 21.102 -0.084 -4.236 1.00 0.00 C ATOM 1161 O CYS A 82 21.958 0.787 -4.378 1.00 0.00 O ATOM 1162 CB CYS A 82 18.757 -0.114 -3.271 1.00 0.00 C ATOM 1163 SG CYS A 82 18.439 1.391 -2.280 1.00 0.00 S ATOM 0 H CYS A 82 18.649 -1.325 -5.489 1.00 0.00 H new ATOM 0 HA CYS A 82 19.505 1.304 -4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 82 17.813 -0.548 -3.601 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.256 -0.864 -2.658 1.00 0.00 H new ATOM 0 HG CYS A 82 18.292 1.065 -1.030 1.00 0.00 H new ATOM 1169 N ALA A 83 21.354 -1.332 -3.871 1.00 0.00 N ATOM 1170 CA ALA A 83 22.712 -1.773 -3.603 1.00 0.00 C ATOM 1171 C ALA A 83 23.585 -1.497 -4.829 1.00 0.00 C ATOM 1172 O ALA A 83 24.809 -1.446 -4.725 1.00 0.00 O ATOM 1173 CB ALA A 83 22.701 -3.254 -3.216 1.00 0.00 C ATOM 0 H ALA A 83 20.641 -2.052 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 83 23.137 -1.220 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.720 -3.585 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.092 -3.392 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.284 -3.841 -4.034 1.00 0.00 H new ATOM 1179 N GLN A 84 22.920 -1.327 -5.962 1.00 0.00 N ATOM 1180 CA GLN A 84 23.620 -1.058 -7.207 1.00 0.00 C ATOM 1181 C GLN A 84 24.410 0.248 -7.100 1.00 0.00 C ATOM 1182 O GLN A 84 25.380 0.452 -7.828 1.00 0.00 O ATOM 1183 CB GLN A 84 22.645 -1.013 -8.385 1.00 0.00 C ATOM 1184 CG GLN A 84 22.274 -2.425 -8.844 1.00 0.00 C ATOM 1185 CD GLN A 84 22.848 -2.720 -10.231 1.00 0.00 C ATOM 1186 OE1 GLN A 84 23.397 -1.860 -10.900 1.00 0.00 O ATOM 1187 NE2 GLN A 84 22.691 -3.981 -10.624 1.00 0.00 N ATOM 0 H GLN A 84 21.904 -1.370 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 84 24.322 -1.871 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.744 -0.472 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 84 23.094 -0.464 -9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 84 22.651 -3.155 -8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.189 -2.531 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.222 -4.651 -10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 84 23.040 -4.278 -11.535 1.00 0.00 H new ATOM 1196 N ASN A 85 23.967 1.097 -6.185 1.00 0.00 N ATOM 1197 CA ASN A 85 24.621 2.377 -5.973 1.00 0.00 C ATOM 1198 C ASN A 85 25.483 2.302 -4.711 1.00 0.00 C ATOM 1199 O ASN A 85 26.290 3.194 -4.452 1.00 0.00 O ATOM 1200 CB ASN A 85 23.594 3.495 -5.777 1.00 0.00 C ATOM 1201 CG ASN A 85 24.272 4.789 -5.322 1.00 0.00 C ATOM 1202 OD1 ASN A 85 24.265 5.146 -4.155 1.00 0.00 O ATOM 1203 ND2 ASN A 85 24.856 5.468 -6.304 1.00 0.00 N ATOM 0 H ASN A 85 23.163 0.924 -5.582 1.00 0.00 H new ATOM 0 HA ASN A 85 25.228 2.594 -6.852 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.059 3.670 -6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.854 3.188 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.336 6.345 -6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.824 5.112 -7.259 1.00 0.00 H new ATOM 1210 N GLY A 86 25.284 1.229 -3.960 1.00 0.00 N ATOM 1211 CA GLY A 86 26.034 1.025 -2.732 1.00 0.00 C ATOM 1212 C GLY A 86 25.186 1.375 -1.508 1.00 0.00 C ATOM 1213 O GLY A 86 25.700 1.450 -0.393 1.00 0.00 O ATOM 0 H GLY A 86 24.614 0.491 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 86 26.360 -0.013 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 86 26.933 1.641 -2.744 1.00 0.00 H new ATOM 1217 N LEU A 87 23.900 1.579 -1.757 1.00 0.00 N ATOM 1218 CA LEU A 87 22.976 1.919 -0.688 1.00 0.00 C ATOM 1219 C LEU A 87 22.622 0.654 0.096 1.00 0.00 C ATOM 1220 O LEU A 87 23.111 -0.431 -0.215 1.00 0.00 O ATOM 1221 CB LEU A 87 21.758 2.657 -1.248 1.00 0.00 C ATOM 1222 CG LEU A 87 22.047 3.966 -1.985 1.00 0.00 C ATOM 1223 CD1 LEU A 87 20.789 4.493 -2.679 1.00 0.00 C ATOM 1224 CD2 LEU A 87 22.658 5.003 -1.042 1.00 0.00 C ATOM 0 H LEU A 87 23.477 1.515 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 87 23.443 2.609 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 87 21.234 1.987 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 87 21.077 2.870 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 87 22.784 3.765 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.021 5.424 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.436 3.756 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.012 4.674 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 87 22.854 5.924 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 87 21.964 5.207 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 87 23.593 4.618 -0.635 1.00 0.00 H new ATOM 1236 N GLU A 88 21.776 0.836 1.099 1.00 0.00 N ATOM 1237 CA GLU A 88 21.351 -0.278 1.930 1.00 0.00 C ATOM 1238 C GLU A 88 20.634 -1.330 1.082 1.00 0.00 C ATOM 1239 O GLU A 88 20.250 -1.060 -0.055 1.00 0.00 O ATOM 1240 CB GLU A 88 20.459 0.203 3.077 1.00 0.00 C ATOM 1241 CG GLU A 88 20.831 -0.490 4.389 1.00 0.00 C ATOM 1242 CD GLU A 88 21.133 0.535 5.484 1.00 0.00 C ATOM 1243 OE1 GLU A 88 20.343 0.683 6.429 1.00 0.00 O ATOM 1244 OE2 GLU A 88 22.233 1.191 5.329 1.00 0.00 O ATOM 0 H GLU A 88 21.373 1.738 1.355 1.00 0.00 H new ATOM 0 HA GLU A 88 22.237 -0.737 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.558 1.282 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 88 19.414 0.002 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.014 -1.137 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 88 21.701 -1.128 4.233 1.00 0.00 H new ATOM 1252 N VAL A 89 20.474 -2.508 1.668 1.00 0.00 N ATOM 1253 CA VAL A 89 19.810 -3.602 0.981 1.00 0.00 C ATOM 1254 C VAL A 89 18.416 -3.802 1.578 1.00 0.00 C ATOM 1255 O VAL A 89 17.601 -4.540 1.027 1.00 0.00 O ATOM 1256 CB VAL A 89 20.675 -4.862 1.045 1.00 0.00 C ATOM 1257 CG1 VAL A 89 20.164 -5.928 0.073 1.00 0.00 C ATOM 1258 CG2 VAL A 89 22.145 -4.533 0.775 1.00 0.00 C ATOM 0 H VAL A 89 20.793 -2.728 2.611 1.00 0.00 H new ATOM 0 HA VAL A 89 19.680 -3.367 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 89 20.603 -5.267 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 89 20.797 -6.813 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.139 -6.194 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 89 20.192 -5.537 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.738 -5.446 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 89 22.243 -4.092 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 89 22.503 -3.826 1.523 1.00 0.00 H new ATOM 1268 N SER A 90 18.185 -3.132 2.698 1.00 0.00 N ATOM 1269 CA SER A 90 16.903 -3.228 3.376 1.00 0.00 C ATOM 1270 C SER A 90 15.990 -2.083 2.932 1.00 0.00 C ATOM 1271 O SER A 90 16.466 -1.004 2.584 1.00 0.00 O ATOM 1272 CB SER A 90 17.081 -3.207 4.895 1.00 0.00 C ATOM 1273 OG SER A 90 17.804 -4.342 5.364 1.00 0.00 O ATOM 0 H SER A 90 18.863 -2.521 3.153 1.00 0.00 H new ATOM 0 HA SER A 90 16.442 -4.178 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.606 -2.297 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.102 -3.177 5.374 1.00 0.00 H new ATOM 0 HG SER A 90 17.898 -4.290 6.338 1.00 0.00 H new ATOM 1279 N LEU A 91 14.694 -2.358 2.960 1.00 0.00 N ATOM 1280 CA LEU A 91 13.710 -1.364 2.565 1.00 0.00 C ATOM 1281 C LEU A 91 13.863 -0.123 3.447 1.00 0.00 C ATOM 1282 O LEU A 91 13.501 0.980 3.040 1.00 0.00 O ATOM 1283 CB LEU A 91 12.303 -1.965 2.588 1.00 0.00 C ATOM 1284 CG LEU A 91 11.815 -2.580 1.275 1.00 0.00 C ATOM 1285 CD1 LEU A 91 10.702 -3.598 1.527 1.00 0.00 C ATOM 1286 CD2 LEU A 91 11.384 -1.493 0.288 1.00 0.00 C ATOM 0 H LEU A 91 14.303 -3.254 3.250 1.00 0.00 H new ATOM 0 HA LEU A 91 13.880 -1.047 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.270 -2.733 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.601 -1.185 2.884 1.00 0.00 H new ATOM 0 HG LEU A 91 12.647 -3.118 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.373 -4.020 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.077 -4.396 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.862 -3.105 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.041 -1.957 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.573 -0.908 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.230 -0.839 0.075 1.00 0.00 H new ATOM 1298 N SER A 92 14.400 -0.344 4.638 1.00 0.00 N ATOM 1299 CA SER A 92 14.605 0.742 5.580 1.00 0.00 C ATOM 1300 C SER A 92 15.374 1.881 4.906 1.00 0.00 C ATOM 1301 O SER A 92 15.328 3.022 5.364 1.00 0.00 O ATOM 1302 CB SER A 92 15.354 0.259 6.823 1.00 0.00 C ATOM 1303 OG SER A 92 14.495 -0.423 7.733 1.00 0.00 O ATOM 0 H SER A 92 14.699 -1.260 4.972 1.00 0.00 H new ATOM 0 HA SER A 92 13.629 1.109 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.164 -0.405 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.810 1.112 7.325 1.00 0.00 H new ATOM 0 HG SER A 92 15.011 -0.717 8.512 1.00 0.00 H new ATOM 1309 N SER A 93 16.062 1.532 3.829 1.00 0.00 N ATOM 1310 CA SER A 93 16.839 2.510 3.088 1.00 0.00 C ATOM 1311 C SER A 93 16.340 2.589 1.644 1.00 0.00 C ATOM 1312 O SER A 93 17.119 2.848 0.727 1.00 0.00 O ATOM 1313 CB SER A 93 18.329 2.165 3.116 1.00 0.00 C ATOM 1314 OG SER A 93 19.139 3.316 3.342 1.00 0.00 O ATOM 0 H SER A 93 16.097 0.585 3.452 1.00 0.00 H new ATOM 0 HA SER A 93 16.710 3.482 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.516 1.430 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.612 1.702 2.170 1.00 0.00 H new ATOM 0 HG SER A 93 19.014 3.953 2.608 1.00 0.00 H new ATOM 1320 N LEU A 94 15.044 2.363 1.486 1.00 0.00 N ATOM 1321 CA LEU A 94 14.432 2.405 0.169 1.00 0.00 C ATOM 1322 C LEU A 94 13.535 3.641 0.068 1.00 0.00 C ATOM 1323 O LEU A 94 13.460 4.436 1.003 1.00 0.00 O ATOM 1324 CB LEU A 94 13.705 1.092 -0.127 1.00 0.00 C ATOM 1325 CG LEU A 94 14.526 0.017 -0.842 1.00 0.00 C ATOM 1326 CD1 LEU A 94 14.895 0.461 -2.259 1.00 0.00 C ATOM 1327 CD2 LEU A 94 15.760 -0.367 -0.023 1.00 0.00 C ATOM 0 H LEU A 94 14.401 2.150 2.249 1.00 0.00 H new ATOM 0 HA LEU A 94 15.196 2.500 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.345 0.679 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.827 1.314 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 94 13.910 -0.877 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 94 15.478 -0.321 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.986 0.644 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 94 15.484 1.377 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.325 -1.133 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.388 0.512 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.447 -0.754 0.947 1.00 0.00 H new ATOM 1339 N SER A 95 12.877 3.763 -1.076 1.00 0.00 N ATOM 1340 CA SER A 95 11.989 4.888 -1.311 1.00 0.00 C ATOM 1341 C SER A 95 12.806 6.152 -1.584 1.00 0.00 C ATOM 1342 O SER A 95 12.380 7.256 -1.246 1.00 0.00 O ATOM 1343 CB SER A 95 11.051 5.108 -0.122 1.00 0.00 C ATOM 1344 OG SER A 95 11.597 6.022 0.825 1.00 0.00 O ATOM 0 H SER A 95 12.941 3.101 -1.850 1.00 0.00 H new ATOM 0 HA SER A 95 11.377 4.663 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.093 5.486 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.854 4.154 0.367 1.00 0.00 H new ATOM 0 HG SER A 95 12.234 5.552 1.403 1.00 0.00 H new ATOM 1350 N LEU A 96 13.965 5.949 -2.192 1.00 0.00 N ATOM 1351 CA LEU A 96 14.846 7.059 -2.514 1.00 0.00 C ATOM 1352 C LEU A 96 14.982 7.173 -4.034 1.00 0.00 C ATOM 1353 O LEU A 96 14.155 6.645 -4.776 1.00 0.00 O ATOM 1354 CB LEU A 96 16.184 6.910 -1.787 1.00 0.00 C ATOM 1355 CG LEU A 96 16.162 6.068 -0.509 1.00 0.00 C ATOM 1356 CD1 LEU A 96 17.557 5.530 -0.183 1.00 0.00 C ATOM 1357 CD2 LEU A 96 15.565 6.857 0.658 1.00 0.00 C ATOM 0 H LEU A 96 14.315 5.032 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 96 14.420 7.998 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 96 16.903 6.469 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.552 7.905 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 96 15.516 5.207 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 96 17.514 4.935 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 96 17.908 4.907 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 96 18.244 6.364 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.561 6.235 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.164 7.749 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.543 7.149 0.415 1.00 0.00 H new ATOM 1369 N ALA A 97 16.032 7.865 -4.452 1.00 0.00 N ATOM 1370 CA ALA A 97 16.286 8.054 -5.870 1.00 0.00 C ATOM 1371 C ALA A 97 17.480 7.194 -6.288 1.00 0.00 C ATOM 1372 O ALA A 97 18.541 7.719 -6.624 1.00 0.00 O ATOM 1373 CB ALA A 97 16.510 9.541 -6.154 1.00 0.00 C ATOM 0 H ALA A 97 16.716 8.301 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 97 15.427 7.735 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.701 9.684 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.622 10.104 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.367 9.896 -5.581 1.00 0.00 H new ATOM 1379 N VAL A 98 17.268 5.887 -6.255 1.00 0.00 N ATOM 1380 CA VAL A 98 18.313 4.949 -6.627 1.00 0.00 C ATOM 1381 C VAL A 98 18.433 4.903 -8.152 1.00 0.00 C ATOM 1382 O VAL A 98 17.487 5.239 -8.863 1.00 0.00 O ATOM 1383 CB VAL A 98 18.031 3.578 -6.008 1.00 0.00 C ATOM 1384 CG1 VAL A 98 17.841 3.689 -4.494 1.00 0.00 C ATOM 1385 CG2 VAL A 98 16.817 2.919 -6.666 1.00 0.00 C ATOM 0 H VAL A 98 16.387 5.455 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 98 19.276 5.276 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 98 18.898 2.943 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 98 17.642 2.701 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 98 18.746 4.097 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 98 17.000 4.349 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.638 1.946 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.940 3.552 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 98 17.007 2.789 -7.731 1.00 0.00 H new ATOM 1395 N PRO A 99 19.635 4.474 -8.621 1.00 0.00 N ATOM 1396 CA PRO A 99 19.890 4.380 -10.049 1.00 0.00 C ATOM 1397 C PRO A 99 19.181 3.167 -10.654 1.00 0.00 C ATOM 1398 O PRO A 99 18.590 2.365 -9.932 1.00 0.00 O ATOM 1399 CB PRO A 99 21.403 4.307 -10.174 1.00 0.00 C ATOM 1400 CG PRO A 99 21.915 3.895 -8.803 1.00 0.00 C ATOM 1401 CD PRO A 99 20.778 4.068 -7.809 1.00 0.00 C ATOM 0 HA PRO A 99 19.498 5.233 -10.603 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.698 3.584 -10.934 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.817 5.270 -10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 99 22.255 2.859 -8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 99 22.770 4.507 -8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.575 3.140 -7.275 1.00 0.00 H new ATOM 0 HD3 PRO A 99 21.019 4.822 -7.059 1.00 0.00 H new ATOM 1409 N PRO A 100 19.266 3.067 -12.008 1.00 0.00 N ATOM 1410 CA PRO A 100 18.640 1.966 -12.718 1.00 0.00 C ATOM 1411 C PRO A 100 19.438 0.673 -12.539 1.00 0.00 C ATOM 1412 O PRO A 100 20.662 0.707 -12.421 1.00 0.00 O ATOM 1413 CB PRO A 100 18.566 2.422 -14.166 1.00 0.00 C ATOM 1414 CG PRO A 100 19.567 3.559 -14.296 1.00 0.00 C ATOM 1415 CD PRO A 100 19.958 3.998 -12.894 1.00 0.00 C ATOM 0 HA PRO A 100 17.646 1.732 -12.337 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.811 1.606 -14.846 1.00 0.00 H new ATOM 0 HB3 PRO A 100 17.560 2.756 -14.419 1.00 0.00 H new ATOM 0 HG2 PRO A 100 20.445 3.233 -14.853 1.00 0.00 H new ATOM 0 HG3 PRO A 100 19.130 4.391 -14.849 1.00 0.00 H new ATOM 0 HD2 PRO A 100 21.038 3.952 -12.751 1.00 0.00 H new ATOM 0 HD3 PRO A 100 19.654 5.027 -12.702 1.00 0.00 H new ATOM 1423 N PRO A 101 18.694 -0.465 -12.524 1.00 0.00 N ATOM 1424 CA PRO A 101 19.320 -1.766 -12.361 1.00 0.00 C ATOM 1425 C PRO A 101 20.022 -2.202 -13.648 1.00 0.00 C ATOM 1426 O PRO A 101 20.272 -1.383 -14.531 1.00 0.00 O ATOM 1427 CB PRO A 101 18.189 -2.699 -11.956 1.00 0.00 C ATOM 1428 CG PRO A 101 16.904 -1.994 -12.358 1.00 0.00 C ATOM 1429 CD PRO A 101 17.243 -0.543 -12.660 1.00 0.00 C ATOM 0 HA PRO A 101 20.106 -1.763 -11.606 1.00 0.00 H new ATOM 0 HB2 PRO A 101 18.279 -3.663 -12.457 1.00 0.00 H new ATOM 0 HB3 PRO A 101 18.209 -2.894 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 101 16.463 -2.473 -13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 101 16.168 -2.055 -11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 101 16.924 -0.263 -13.664 1.00 0.00 H new ATOM 0 HD3 PRO A 101 16.743 0.133 -11.966 1.00 0.00 H new ATOM 1437 N ARG A 102 20.321 -3.491 -13.714 1.00 0.00 N ATOM 1438 CA ARG A 102 20.990 -4.046 -14.879 1.00 0.00 C ATOM 1439 C ARG A 102 19.976 -4.727 -15.799 1.00 0.00 C ATOM 1440 O ARG A 102 20.160 -4.761 -17.015 1.00 0.00 O ATOM 1441 CB ARG A 102 22.059 -5.060 -14.469 1.00 0.00 C ATOM 1442 CG ARG A 102 23.309 -4.923 -15.341 1.00 0.00 C ATOM 1443 CD ARG A 102 23.166 -5.731 -16.633 1.00 0.00 C ATOM 1444 NE ARG A 102 24.458 -6.366 -16.978 1.00 0.00 N ATOM 1445 CZ ARG A 102 24.779 -6.808 -18.213 1.00 0.00 C ATOM 1446 NH1 ARG A 102 23.903 -6.687 -19.233 1.00 0.00 N ATOM 1447 NH2 ARG A 102 25.961 -7.360 -18.407 1.00 0.00 N ATOM 0 H ARG A 102 20.112 -4.167 -12.980 1.00 0.00 H new ATOM 0 HA ARG A 102 21.470 -3.223 -15.409 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.324 -4.911 -13.422 1.00 0.00 H new ATOM 0 HB3 ARG A 102 21.659 -6.070 -14.556 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.476 -3.873 -15.581 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.183 -5.267 -14.787 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.397 -6.494 -16.511 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.843 -5.080 -17.445 1.00 0.00 H new ATOM 0 HE ARG A 102 25.149 -6.477 -16.236 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.991 -6.259 -19.074 1.00 0.00 H new ATOM 0 HH12 ARG A 102 24.153 -7.023 -20.163 1.00 0.00 H new ATOM 0 HH21 ARG A 102 26.617 -7.448 -17.630 1.00 0.00 H new ATOM 0 HH22 ARG A 102 26.220 -7.699 -19.334 1.00 0.00 H new ATOM 1460 N PHE A 103 18.927 -5.254 -15.184 1.00 0.00 N ATOM 1461 CA PHE A 103 17.883 -5.933 -15.933 1.00 0.00 C ATOM 1462 C PHE A 103 17.592 -5.208 -17.248 1.00 0.00 C ATOM 1463 O PHE A 103 17.940 -4.039 -17.407 1.00 0.00 O ATOM 1464 CB PHE A 103 16.624 -5.913 -15.064 1.00 0.00 C ATOM 1465 CG PHE A 103 16.867 -6.318 -13.608 1.00 0.00 C ATOM 1466 CD1 PHE A 103 17.307 -7.571 -13.315 1.00 0.00 C ATOM 1467 CD2 PHE A 103 16.643 -5.424 -12.608 1.00 0.00 C ATOM 1468 CE1 PHE A 103 17.532 -7.946 -11.964 1.00 0.00 C ATOM 1469 CE2 PHE A 103 16.868 -5.799 -11.257 1.00 0.00 C ATOM 1470 CZ PHE A 103 17.308 -7.052 -10.963 1.00 0.00 C ATOM 0 H PHE A 103 18.778 -5.224 -14.175 1.00 0.00 H new ATOM 0 HA PHE A 103 18.197 -6.949 -16.171 1.00 0.00 H new ATOM 0 HB2 PHE A 103 16.196 -4.911 -15.085 1.00 0.00 H new ATOM 0 HB3 PHE A 103 15.884 -6.585 -15.499 1.00 0.00 H new ATOM 0 HD1 PHE A 103 17.485 -8.281 -14.109 1.00 0.00 H new ATOM 0 HD2 PHE A 103 16.294 -4.429 -12.841 1.00 0.00 H new ATOM 0 HE1 PHE A 103 17.881 -8.941 -11.731 1.00 0.00 H new ATOM 0 HE2 PHE A 103 16.690 -5.089 -10.463 1.00 0.00 H new ATOM 0 HZ PHE A 103 17.479 -7.337 -9.936 1.00 0.00 H new ATOM 1480 N HIS A 104 16.956 -5.931 -18.158 1.00 0.00 N ATOM 1481 CA HIS A 104 16.614 -5.371 -19.454 1.00 0.00 C ATOM 1482 C HIS A 104 15.586 -4.252 -19.275 1.00 0.00 C ATOM 1483 O HIS A 104 15.059 -4.058 -18.181 1.00 0.00 O ATOM 1484 CB HIS A 104 16.137 -6.467 -20.410 1.00 0.00 C ATOM 1485 CG HIS A 104 17.077 -6.729 -21.562 1.00 0.00 C ATOM 1486 ND1 HIS A 104 17.269 -7.990 -22.100 1.00 0.00 N ATOM 1487 CD2 HIS A 104 17.876 -5.881 -22.271 1.00 0.00 C ATOM 1488 CE1 HIS A 104 18.146 -7.893 -23.089 1.00 0.00 C ATOM 1489 NE2 HIS A 104 18.522 -6.586 -23.193 1.00 0.00 N ATOM 0 H HIS A 104 16.668 -6.900 -18.023 1.00 0.00 H new ATOM 0 HA HIS A 104 17.501 -4.932 -19.910 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.001 -7.391 -19.848 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.161 -6.189 -20.807 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.968 -4.817 -22.110 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.501 -8.706 -23.705 1.00 0.00 H new ATOM 0 HE2 HIS A 104 19.189 -6.212 -23.868 1.00 0.00 H new ATOM 1497 N ASP A 105 15.333 -3.544 -20.366 1.00 0.00 N ATOM 1498 CA ASP A 105 14.378 -2.449 -20.343 1.00 0.00 C ATOM 1499 C ASP A 105 12.966 -3.013 -20.173 1.00 0.00 C ATOM 1500 O ASP A 105 12.388 -3.543 -21.121 1.00 0.00 O ATOM 1501 CB ASP A 105 14.417 -1.657 -21.651 1.00 0.00 C ATOM 1502 CG ASP A 105 14.678 -0.158 -21.492 1.00 0.00 C ATOM 1503 OD1 ASP A 105 15.496 0.263 -20.661 1.00 0.00 O ATOM 1504 OD2 ASP A 105 13.990 0.601 -22.275 1.00 0.00 O ATOM 0 H ASP A 105 15.773 -3.707 -21.272 1.00 0.00 H new ATOM 0 HA ASP A 105 14.640 -1.790 -19.515 1.00 0.00 H new ATOM 0 HB2 ASP A 105 15.192 -2.079 -22.291 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.467 -1.792 -22.168 1.00 0.00 H new