USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot 157:sc= 1.31 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 172:sc= 0.725 (180deg=-0.144) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.628 K(o=-0.2,f=-3.3!) USER MOD Set 2.2: A 58 THR OG1 : rot -116:sc= 0.00437 USER MOD Set 2.3: A 62 TYR OH : rot 106:sc= 0.421 USER MOD Set 3.1: A 32 CYS SG : rot 180:sc= -0.036 USER MOD Set 3.2: A 36 LYS NZ :NH3+ -179:sc= 0.74 (180deg=0.707) USER MOD Single : A 8 CYS SG : rot 30:sc= 0.0483 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0346 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= 1.03 (180deg=0.0724) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= 1.2 (180deg=0.93) USER MOD Single : A 18 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.013) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 28 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-2.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 0.55 (180deg=-0.453!) USER MOD Single : A 37 GLN : amide:sc= -0.904 K(o=-0.9,f=-2.4) USER MOD Single : A 39 MET CE :methyl 178:sc= -0.272 (180deg=-0.318) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.014) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc=-0.00729 (180deg=-0.105) USER MOD Single : A 49 CYS SG : rot 64:sc= 1.92 USER MOD Single : A 52 GLN : amide:sc= 0.0922 K(o=0.092,f=-4.8!) USER MOD Single : A 54 THR OG1 : rot 120:sc= -0.444 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.05) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.493 F(o=-2.5!,f=-0.49) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 73 SER OG : rot 180:sc= -1.13 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0212 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.225 2.663 -2.836 1.00 0.00 N ATOM 79 CA SER A 7 -13.261 1.794 -2.334 1.00 0.00 C ATOM 80 C SER A 7 -12.038 2.543 -1.906 1.00 0.00 C ATOM 81 O SER A 7 -11.457 3.310 -2.676 1.00 0.00 O ATOM 82 CB SER A 7 -12.969 0.719 -3.349 1.00 0.00 C ATOM 83 OG SER A 7 -14.132 -0.099 -3.518 1.00 0.00 O ATOM 0 HA SER A 7 -13.642 1.302 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.685 1.168 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.127 0.111 -3.020 1.00 0.00 H new ATOM 0 HG SER A 7 -14.101 -0.534 -4.396 1.00 0.00 H new ATOM 89 N CYS A 8 -11.693 2.362 -0.669 1.00 0.00 N ATOM 90 CA CYS A 8 -10.541 2.957 -0.095 1.00 0.00 C ATOM 91 C CYS A 8 -9.870 1.937 0.791 1.00 0.00 C ATOM 92 O CYS A 8 -10.547 1.257 1.557 1.00 0.00 O ATOM 93 CB CYS A 8 -10.935 4.205 0.708 1.00 0.00 C ATOM 94 SG CYS A 8 -12.173 3.900 2.000 1.00 0.00 S ATOM 0 H CYS A 8 -12.223 1.780 -0.020 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.849 3.271 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.041 4.623 1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.321 4.958 0.021 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.048 2.684 2.442 1.00 0.00 H new ATOM 100 N VAL A 9 -8.577 1.829 0.709 1.00 0.00 N ATOM 101 CA VAL A 9 -7.864 0.875 1.536 1.00 0.00 C ATOM 102 C VAL A 9 -7.172 1.628 2.625 1.00 0.00 C ATOM 103 O VAL A 9 -6.520 2.653 2.369 1.00 0.00 O ATOM 104 CB VAL A 9 -6.788 0.029 0.750 1.00 0.00 C ATOM 105 CG1 VAL A 9 -5.965 -0.837 1.698 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.429 -0.868 -0.289 1.00 0.00 C ATOM 0 H VAL A 9 -7.989 2.382 0.085 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.601 0.169 1.919 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.137 0.747 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.233 -1.408 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.448 -0.200 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.625 -1.523 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.655 -1.434 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.116 -1.558 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.977 -0.259 -1.008 1.00 0.00 H new ATOM 116 N HIS A 10 -7.378 1.168 3.831 1.00 0.00 N ATOM 117 CA HIS A 10 -6.754 1.733 4.982 1.00 0.00 C ATOM 118 C HIS A 10 -5.384 1.159 5.120 1.00 0.00 C ATOM 119 O HIS A 10 -5.217 -0.050 5.303 1.00 0.00 O ATOM 120 CB HIS A 10 -7.581 1.475 6.242 1.00 0.00 C ATOM 121 CG HIS A 10 -8.842 2.283 6.307 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.007 3.401 7.101 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.013 2.120 5.649 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.240 3.869 6.904 1.00 0.00 C ATOM 125 NE2 HIS A 10 -10.897 3.126 6.027 1.00 0.00 N ATOM 0 H HIS A 10 -7.993 0.380 4.036 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.686 2.814 4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.835 0.416 6.290 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.972 1.696 7.118 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.228 1.333 4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.649 4.740 7.395 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.852 3.263 5.697 1.00 0.00 H new ATOM 133 N TYR A 11 -4.420 1.989 4.999 1.00 0.00 N ATOM 134 CA TYR A 11 -3.065 1.570 5.080 1.00 0.00 C ATOM 135 C TYR A 11 -2.328 2.518 5.981 1.00 0.00 C ATOM 136 O TYR A 11 -2.618 3.693 5.987 1.00 0.00 O ATOM 137 CB TYR A 11 -2.433 1.549 3.677 1.00 0.00 C ATOM 138 CG TYR A 11 -2.290 2.915 3.009 1.00 0.00 C ATOM 139 CD1 TYR A 11 -1.139 3.684 3.188 1.00 0.00 C ATOM 140 CD2 TYR A 11 -3.292 3.423 2.212 1.00 0.00 C ATOM 141 CE1 TYR A 11 -0.997 4.906 2.591 1.00 0.00 C ATOM 142 CE2 TYR A 11 -3.157 4.647 1.607 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.013 5.385 1.796 1.00 0.00 C ATOM 144 OH TYR A 11 -1.881 6.602 1.185 1.00 0.00 O ATOM 0 H TYR A 11 -4.544 2.989 4.839 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.007 0.561 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.446 1.091 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.036 0.909 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.343 3.305 3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.195 2.851 2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.099 5.487 2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.950 5.031 0.982 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.686 6.793 0.659 1.00 0.00 H new ATOM 154 N LYS A 12 -1.433 2.039 6.772 1.00 0.00 N ATOM 155 CA LYS A 12 -0.670 2.952 7.566 1.00 0.00 C ATOM 156 C LYS A 12 0.781 2.780 7.212 1.00 0.00 C ATOM 157 O LYS A 12 1.246 1.663 7.023 1.00 0.00 O ATOM 158 CB LYS A 12 -0.905 2.780 9.089 1.00 0.00 C ATOM 159 CG LYS A 12 -0.077 1.702 9.760 1.00 0.00 C ATOM 160 CD LYS A 12 -0.302 1.680 11.252 1.00 0.00 C ATOM 161 CE LYS A 12 0.854 0.994 11.966 1.00 0.00 C ATOM 162 NZ LYS A 12 2.137 1.717 11.754 1.00 0.00 N ATOM 0 H LYS A 12 -1.211 1.050 6.890 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.999 3.966 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.698 3.731 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.960 2.559 9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.333 0.730 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.980 1.872 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.410 2.699 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.233 1.159 11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.640 0.937 13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.949 -0.030 11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.791 1.499 12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.559 1.417 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.958 2.741 11.729 1.00 0.00 H new ATOM 176 N PHE A 13 1.474 3.863 7.073 1.00 0.00 N ATOM 177 CA PHE A 13 2.878 3.818 6.762 1.00 0.00 C ATOM 178 C PHE A 13 3.656 3.630 8.081 1.00 0.00 C ATOM 179 O PHE A 13 3.044 3.653 9.167 1.00 0.00 O ATOM 180 CB PHE A 13 3.273 5.121 6.063 1.00 0.00 C ATOM 181 CG PHE A 13 4.150 4.949 4.856 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.493 4.638 4.979 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.619 5.098 3.588 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.282 4.470 3.864 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.405 4.939 2.469 1.00 0.00 C ATOM 186 CZ PHE A 13 5.735 4.620 2.604 1.00 0.00 C ATOM 0 H PHE A 13 1.091 4.803 7.170 1.00 0.00 H new ATOM 0 HA PHE A 13 3.111 2.989 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.366 5.645 5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.788 5.760 6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.927 4.526 5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.573 5.342 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.327 4.221 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.977 5.065 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.351 4.487 1.727 1.00 0.00 H new ATOM 196 N SER A 14 4.964 3.455 7.996 1.00 0.00 N ATOM 197 CA SER A 14 5.822 3.244 9.165 1.00 0.00 C ATOM 198 C SER A 14 5.703 4.382 10.196 1.00 0.00 C ATOM 199 O SER A 14 5.684 4.135 11.402 1.00 0.00 O ATOM 200 CB SER A 14 7.276 3.095 8.702 1.00 0.00 C ATOM 201 OG SER A 14 7.396 2.061 7.716 1.00 0.00 O ATOM 0 H SER A 14 5.470 3.454 7.111 1.00 0.00 H new ATOM 0 HA SER A 14 5.491 2.333 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.629 4.040 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.912 2.864 9.556 1.00 0.00 H new ATOM 0 HG SER A 14 8.331 1.985 7.434 1.00 0.00 H new ATOM 207 N SER A 15 5.563 5.607 9.723 1.00 0.00 N ATOM 208 CA SER A 15 5.471 6.752 10.609 1.00 0.00 C ATOM 209 C SER A 15 4.010 7.065 10.976 1.00 0.00 C ATOM 210 O SER A 15 3.726 8.010 11.713 1.00 0.00 O ATOM 211 CB SER A 15 6.092 7.943 9.917 1.00 0.00 C ATOM 212 OG SER A 15 7.374 7.601 9.409 1.00 0.00 O ATOM 0 H SER A 15 5.511 5.834 8.730 1.00 0.00 H new ATOM 0 HA SER A 15 6.001 6.526 11.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.448 8.277 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.180 8.774 10.616 1.00 0.00 H new ATOM 0 HG SER A 15 7.767 8.379 8.961 1.00 0.00 H new ATOM 218 N LYS A 16 3.095 6.263 10.484 1.00 0.00 N ATOM 219 CA LYS A 16 1.693 6.498 10.717 1.00 0.00 C ATOM 220 C LYS A 16 1.168 5.651 11.852 1.00 0.00 C ATOM 221 O LYS A 16 1.365 4.426 11.892 1.00 0.00 O ATOM 222 CB LYS A 16 0.846 6.282 9.448 1.00 0.00 C ATOM 223 CG LYS A 16 0.743 7.477 8.484 1.00 0.00 C ATOM 224 CD LYS A 16 2.083 7.949 7.950 1.00 0.00 C ATOM 225 CE LYS A 16 1.922 9.081 6.938 1.00 0.00 C ATOM 226 NZ LYS A 16 1.273 8.646 5.676 1.00 0.00 N ATOM 0 H LYS A 16 3.299 5.439 9.918 1.00 0.00 H new ATOM 0 HA LYS A 16 1.601 7.546 11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.260 5.436 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.162 6.001 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.104 7.201 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.255 8.305 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.706 8.287 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.603 7.113 7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.332 9.880 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.903 9.499 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.636 9.395 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.001 8.460 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.727 7.778 5.848 1.00 0.00 H new ATOM 240 N LEU A 17 0.541 6.310 12.786 1.00 0.00 N ATOM 241 CA LEU A 17 -0.112 5.665 13.911 1.00 0.00 C ATOM 242 C LEU A 17 -1.561 5.397 13.534 1.00 0.00 C ATOM 243 O LEU A 17 -2.241 4.545 14.107 1.00 0.00 O ATOM 244 CB LEU A 17 -0.082 6.603 15.109 1.00 0.00 C ATOM 245 CG LEU A 17 -0.668 6.056 16.412 1.00 0.00 C ATOM 246 CD1 LEU A 17 0.135 4.870 16.930 1.00 0.00 C ATOM 247 CD2 LEU A 17 -0.752 7.144 17.451 1.00 0.00 C ATOM 0 H LEU A 17 0.463 7.327 12.795 1.00 0.00 H new ATOM 0 HA LEU A 17 0.397 4.734 14.159 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.953 6.890 15.293 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.623 7.512 14.846 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.677 5.701 16.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.309 4.507 17.857 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.127 4.073 16.187 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.163 5.181 17.118 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.171 6.737 18.371 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.246 7.536 17.649 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.391 7.948 17.086 1.00 0.00 H new ATOM 259 N ASN A 18 -2.002 6.144 12.575 1.00 0.00 N ATOM 260 CA ASN A 18 -3.335 6.087 12.055 1.00 0.00 C ATOM 261 C ASN A 18 -3.271 5.842 10.573 1.00 0.00 C ATOM 262 O ASN A 18 -2.313 6.251 9.911 1.00 0.00 O ATOM 263 CB ASN A 18 -4.122 7.373 12.390 1.00 0.00 C ATOM 264 CG ASN A 18 -3.282 8.641 12.287 1.00 0.00 C ATOM 265 OD1 ASN A 18 -2.699 9.094 13.284 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.167 9.199 11.130 1.00 0.00 N ATOM 0 H ASN A 18 -1.420 6.842 12.111 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.873 5.264 12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.974 7.455 11.715 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.522 7.292 13.401 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.587 10.031 11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.656 8.808 10.325 1.00 0.00 H new ATOM 273 N TYR A 19 -4.258 5.174 10.068 1.00 0.00 N ATOM 274 CA TYR A 19 -4.288 4.749 8.690 1.00 0.00 C ATOM 275 C TYR A 19 -4.659 5.870 7.740 1.00 0.00 C ATOM 276 O TYR A 19 -5.428 6.780 8.086 1.00 0.00 O ATOM 277 CB TYR A 19 -5.256 3.569 8.512 1.00 0.00 C ATOM 278 CG TYR A 19 -4.812 2.279 9.186 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.988 2.071 10.544 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.223 1.272 8.450 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.580 0.895 11.138 1.00 0.00 C ATOM 282 CE2 TYR A 19 -3.814 0.100 9.032 1.00 0.00 C ATOM 283 CZ TYR A 19 -3.997 -0.086 10.374 1.00 0.00 C ATOM 284 OH TYR A 19 -3.582 -1.248 10.958 1.00 0.00 O ATOM 0 H TYR A 19 -5.082 4.900 10.603 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.276 4.433 8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.231 3.853 8.907 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.387 3.381 7.446 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.451 2.840 11.145 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.080 1.410 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.718 0.746 12.199 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.350 -0.671 8.434 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.149 -1.446 11.732 1.00 0.00 H new ATOM 294 N ASP A 20 -4.089 5.794 6.569 1.00 0.00 N ATOM 295 CA ASP A 20 -4.370 6.672 5.459 1.00 0.00 C ATOM 296 C ASP A 20 -5.294 5.906 4.530 1.00 0.00 C ATOM 297 O ASP A 20 -5.532 4.705 4.751 1.00 0.00 O ATOM 298 CB ASP A 20 -3.090 7.022 4.670 1.00 0.00 C ATOM 299 CG ASP A 20 -2.053 7.818 5.428 1.00 0.00 C ATOM 300 OD1 ASP A 20 -2.256 9.036 5.631 1.00 0.00 O ATOM 301 OD2 ASP A 20 -1.001 7.261 5.805 1.00 0.00 O ATOM 0 H ASP A 20 -3.385 5.089 6.350 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.805 7.600 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.631 6.095 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.375 7.584 3.781 1.00 0.00 H new ATOM 306 N THR A 21 -5.797 6.545 3.492 1.00 0.00 N ATOM 307 CA THR A 21 -6.676 5.870 2.563 1.00 0.00 C ATOM 308 C THR A 21 -6.363 6.172 1.100 1.00 0.00 C ATOM 309 O THR A 21 -6.135 7.327 0.722 1.00 0.00 O ATOM 310 CB THR A 21 -8.169 6.185 2.840 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.356 7.582 3.138 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.736 5.324 3.950 1.00 0.00 C ATOM 0 H THR A 21 -5.613 7.524 3.273 1.00 0.00 H new ATOM 0 HA THR A 21 -6.493 4.809 2.731 1.00 0.00 H new ATOM 0 HB THR A 21 -8.718 5.948 1.929 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.305 7.756 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.784 5.579 4.109 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.657 4.273 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.176 5.499 4.869 1.00 0.00 H new ATOM 320 N VAL A 22 -6.298 5.121 0.302 1.00 0.00 N ATOM 321 CA VAL A 22 -6.230 5.247 -1.151 1.00 0.00 C ATOM 322 C VAL A 22 -7.582 4.953 -1.726 1.00 0.00 C ATOM 323 O VAL A 22 -8.169 3.925 -1.413 1.00 0.00 O ATOM 324 CB VAL A 22 -5.199 4.297 -1.845 1.00 0.00 C ATOM 325 CG1 VAL A 22 -3.808 4.882 -1.855 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.191 2.905 -1.211 1.00 0.00 C ATOM 0 H VAL A 22 -6.291 4.158 0.637 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.898 6.267 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.525 4.194 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.125 4.189 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.815 5.829 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.477 5.052 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.462 2.277 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.924 2.987 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.181 2.458 -1.301 1.00 0.00 H new ATOM 336 N THR A 23 -8.093 5.847 -2.510 1.00 0.00 N ATOM 337 CA THR A 23 -9.344 5.634 -3.167 1.00 0.00 C ATOM 338 C THR A 23 -9.080 5.081 -4.545 1.00 0.00 C ATOM 339 O THR A 23 -8.250 5.610 -5.294 1.00 0.00 O ATOM 340 CB THR A 23 -10.171 6.930 -3.218 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.310 8.042 -3.519 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.880 7.177 -1.894 1.00 0.00 C ATOM 0 H THR A 23 -7.656 6.746 -2.714 1.00 0.00 H new ATOM 0 HA THR A 23 -9.936 4.912 -2.604 1.00 0.00 H new ATOM 0 HB THR A 23 -10.925 6.825 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.839 8.866 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.457 8.099 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.549 6.344 -1.679 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.142 7.265 -1.097 1.00 0.00 H new ATOM 350 N PHE A 24 -9.739 4.018 -4.861 1.00 0.00 N ATOM 351 CA PHE A 24 -9.505 3.326 -6.098 1.00 0.00 C ATOM 352 C PHE A 24 -10.822 2.761 -6.559 1.00 0.00 C ATOM 353 O PHE A 24 -11.736 2.600 -5.739 1.00 0.00 O ATOM 354 CB PHE A 24 -8.468 2.197 -5.868 1.00 0.00 C ATOM 355 CG PHE A 24 -8.956 1.116 -4.936 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.954 1.313 -3.571 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.438 -0.085 -5.433 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.419 0.347 -2.723 1.00 0.00 C ATOM 359 CE2 PHE A 24 -9.905 -1.055 -4.579 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.894 -0.837 -3.223 1.00 0.00 C ATOM 0 H PHE A 24 -10.458 3.598 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.106 3.998 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.210 1.750 -6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.554 2.631 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.580 2.242 -3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.447 -0.260 -6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.412 0.517 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.280 -1.988 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.260 -1.599 -2.551 1.00 0.00 H new ATOM 370 N ASP A 25 -10.948 2.473 -7.816 1.00 0.00 N ATOM 371 CA ASP A 25 -12.199 1.943 -8.315 1.00 0.00 C ATOM 372 C ASP A 25 -12.166 0.428 -8.370 1.00 0.00 C ATOM 373 O ASP A 25 -11.183 -0.172 -8.825 1.00 0.00 O ATOM 374 CB ASP A 25 -12.579 2.544 -9.670 1.00 0.00 C ATOM 375 CG ASP A 25 -13.919 2.037 -10.169 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.954 2.298 -9.516 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.973 1.392 -11.227 1.00 0.00 O ATOM 0 H ASP A 25 -10.216 2.590 -8.516 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.978 2.236 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.612 3.630 -9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.807 2.304 -10.401 1.00 0.00 H new ATOM 382 N GLY A 26 -13.209 -0.181 -7.870 1.00 0.00 N ATOM 383 CA GLY A 26 -13.308 -1.614 -7.851 1.00 0.00 C ATOM 384 C GLY A 26 -13.652 -2.092 -6.472 1.00 0.00 C ATOM 385 O GLY A 26 -14.368 -1.408 -5.751 1.00 0.00 O ATOM 0 H GLY A 26 -14.011 0.302 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.070 -1.942 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.364 -2.055 -8.172 1.00 0.00 H new ATOM 389 N LEU A 27 -13.159 -3.244 -6.104 1.00 0.00 N ATOM 390 CA LEU A 27 -13.361 -3.792 -4.769 1.00 0.00 C ATOM 391 C LEU A 27 -11.991 -3.985 -4.139 1.00 0.00 C ATOM 392 O LEU A 27 -11.767 -3.681 -2.948 1.00 0.00 O ATOM 393 CB LEU A 27 -14.150 -5.137 -4.853 1.00 0.00 C ATOM 394 CG LEU A 27 -14.677 -5.782 -3.532 1.00 0.00 C ATOM 395 CD1 LEU A 27 -13.568 -6.399 -2.684 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.469 -4.768 -2.717 1.00 0.00 C ATOM 0 H LEU A 27 -12.602 -3.839 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.953 -3.114 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.007 -4.977 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.507 -5.867 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.336 -6.598 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.998 -6.830 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.065 -7.180 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.848 -5.628 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.827 -5.238 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.828 -3.923 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.320 -4.416 -3.301 1.00 0.00 H new ATOM 408 N HIS A 28 -11.087 -4.475 -4.938 1.00 0.00 N ATOM 409 CA HIS A 28 -9.729 -4.683 -4.537 1.00 0.00 C ATOM 410 C HIS A 28 -8.785 -4.131 -5.533 1.00 0.00 C ATOM 411 O HIS A 28 -9.106 -4.011 -6.718 1.00 0.00 O ATOM 412 CB HIS A 28 -9.394 -6.144 -4.178 1.00 0.00 C ATOM 413 CG HIS A 28 -10.055 -7.195 -4.994 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.793 -8.199 -4.431 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.082 -7.402 -6.331 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.253 -8.970 -5.409 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.845 -8.530 -6.594 1.00 0.00 N ATOM 0 H HIS A 28 -11.278 -4.745 -5.903 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.608 -4.128 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.315 -6.277 -4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.657 -6.308 -3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.590 -6.789 -7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.876 -9.840 -5.261 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.050 -8.937 -7.507 1.00 0.00 H new ATOM 425 N ILE A 29 -7.647 -3.773 -5.059 1.00 0.00 N ATOM 426 CA ILE A 29 -6.662 -3.170 -5.858 1.00 0.00 C ATOM 427 C ILE A 29 -5.396 -4.002 -5.891 1.00 0.00 C ATOM 428 O ILE A 29 -4.897 -4.427 -4.847 1.00 0.00 O ATOM 429 CB ILE A 29 -6.390 -1.705 -5.392 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.265 -1.079 -6.177 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.106 -1.625 -3.895 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.142 0.409 -5.976 1.00 0.00 C ATOM 0 H ILE A 29 -7.376 -3.897 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.035 -3.122 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.301 -1.139 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.326 -1.554 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.416 -1.282 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.922 -0.588 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.965 -2.004 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.228 -2.226 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.312 0.789 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.066 0.896 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.959 0.620 -4.922 1.00 0.00 H new ATOM 444 N SER A 30 -4.943 -4.323 -7.097 1.00 0.00 N ATOM 445 CA SER A 30 -3.673 -4.994 -7.283 1.00 0.00 C ATOM 446 C SER A 30 -2.562 -4.177 -6.615 1.00 0.00 C ATOM 447 O SER A 30 -2.576 -2.944 -6.658 1.00 0.00 O ATOM 448 CB SER A 30 -3.362 -5.138 -8.764 1.00 0.00 C ATOM 449 OG SER A 30 -4.366 -5.874 -9.457 1.00 0.00 O ATOM 0 H SER A 30 -5.444 -4.125 -7.963 1.00 0.00 H new ATOM 0 HA SER A 30 -3.731 -5.985 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.266 -4.148 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.400 -5.637 -8.884 1.00 0.00 H new ATOM 0 HG SER A 30 -4.127 -5.941 -10.405 1.00 0.00 H new ATOM 455 N LEU A 31 -1.625 -4.859 -6.025 1.00 0.00 N ATOM 456 CA LEU A 31 -0.556 -4.265 -5.287 1.00 0.00 C ATOM 457 C LEU A 31 0.266 -3.309 -6.132 1.00 0.00 C ATOM 458 O LEU A 31 0.697 -2.280 -5.637 1.00 0.00 O ATOM 459 CB LEU A 31 0.330 -5.336 -4.667 1.00 0.00 C ATOM 460 CG LEU A 31 1.467 -4.813 -3.821 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.948 -4.049 -2.632 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.379 -5.917 -3.386 1.00 0.00 C ATOM 0 H LEU A 31 -1.585 -5.878 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.007 -3.677 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.290 -5.988 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.744 -5.951 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 31 2.047 -4.128 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.787 -3.684 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.351 -3.204 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.330 -4.705 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.185 -5.505 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.817 -6.643 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.800 -6.408 -4.263 1.00 0.00 H new ATOM 474 N CYS A 32 0.487 -3.654 -7.395 1.00 0.00 N ATOM 475 CA CYS A 32 1.190 -2.760 -8.309 1.00 0.00 C ATOM 476 C CYS A 32 0.470 -1.419 -8.355 1.00 0.00 C ATOM 477 O CYS A 32 1.065 -0.377 -8.136 1.00 0.00 O ATOM 478 CB CYS A 32 1.177 -3.332 -9.733 1.00 0.00 C ATOM 479 SG CYS A 32 2.223 -2.445 -10.913 1.00 0.00 S ATOM 0 H CYS A 32 0.193 -4.539 -7.808 1.00 0.00 H new ATOM 0 HA CYS A 32 2.215 -2.648 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.498 -4.373 -9.695 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.152 -3.328 -10.102 1.00 0.00 H new ATOM 0 HG CYS A 32 2.138 -3.012 -12.080 1.00 0.00 H new ATOM 485 N ASP A 33 -0.831 -1.487 -8.498 1.00 0.00 N ATOM 486 CA ASP A 33 -1.654 -0.311 -8.667 1.00 0.00 C ATOM 487 C ASP A 33 -1.690 0.470 -7.360 1.00 0.00 C ATOM 488 O ASP A 33 -1.589 1.691 -7.355 1.00 0.00 O ATOM 489 CB ASP A 33 -3.062 -0.742 -9.128 1.00 0.00 C ATOM 490 CG ASP A 33 -3.937 0.392 -9.628 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.487 1.158 -10.502 1.00 0.00 O ATOM 492 OD2 ASP A 33 -5.115 0.480 -9.232 1.00 0.00 O ATOM 0 H ASP A 33 -1.353 -2.363 -8.501 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.239 0.345 -9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.960 -1.482 -9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.567 -1.234 -8.297 1.00 0.00 H new ATOM 497 N LEU A 34 -1.732 -0.261 -6.254 1.00 0.00 N ATOM 498 CA LEU A 34 -1.768 0.326 -4.914 1.00 0.00 C ATOM 499 C LEU A 34 -0.441 1.007 -4.555 1.00 0.00 C ATOM 500 O LEU A 34 -0.428 2.150 -4.088 1.00 0.00 O ATOM 501 CB LEU A 34 -2.186 -0.758 -3.868 1.00 0.00 C ATOM 502 CG LEU A 34 -2.191 -0.372 -2.366 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.180 -1.244 -1.615 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.813 -0.589 -1.750 1.00 0.00 C ATOM 0 H LEU A 34 -1.742 -1.281 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.521 1.114 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.189 -1.099 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.518 -1.611 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.469 0.679 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.180 -0.969 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.179 -1.100 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.893 -2.291 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.838 -0.312 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.534 -1.639 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.081 0.029 -2.270 1.00 0.00 H new ATOM 516 N LYS A 35 0.672 0.331 -4.809 1.00 0.00 N ATOM 517 CA LYS A 35 1.973 0.878 -4.466 1.00 0.00 C ATOM 518 C LYS A 35 2.284 2.100 -5.280 1.00 0.00 C ATOM 519 O LYS A 35 2.801 3.076 -4.754 1.00 0.00 O ATOM 520 CB LYS A 35 3.087 -0.150 -4.607 1.00 0.00 C ATOM 521 CG LYS A 35 2.959 -1.309 -3.639 1.00 0.00 C ATOM 522 CD LYS A 35 4.111 -2.296 -3.748 1.00 0.00 C ATOM 523 CE LYS A 35 4.292 -2.870 -5.132 1.00 0.00 C ATOM 524 NZ LYS A 35 5.409 -3.840 -5.164 1.00 0.00 N ATOM 0 H LYS A 35 0.698 -0.589 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 35 1.921 1.165 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.089 -0.536 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.047 0.341 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.912 -0.923 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.020 -1.831 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.033 -1.798 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.946 -3.112 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.371 -3.360 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.485 -2.065 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.735 -3.962 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.193 -3.486 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.085 -4.755 -4.790 1.00 0.00 H new ATOM 538 N LYS A 36 1.932 2.058 -6.546 1.00 0.00 N ATOM 539 CA LYS A 36 2.150 3.181 -7.432 1.00 0.00 C ATOM 540 C LYS A 36 1.328 4.404 -6.991 1.00 0.00 C ATOM 541 O LYS A 36 1.807 5.541 -7.083 1.00 0.00 O ATOM 542 CB LYS A 36 1.876 2.803 -8.893 1.00 0.00 C ATOM 543 CG LYS A 36 3.041 2.097 -9.652 1.00 0.00 C ATOM 544 CD LYS A 36 3.587 0.843 -8.949 1.00 0.00 C ATOM 545 CE LYS A 36 4.574 0.080 -9.827 1.00 0.00 C ATOM 546 NZ LYS A 36 5.118 -1.139 -9.157 1.00 0.00 N ATOM 0 H LYS A 36 1.490 1.252 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 36 3.202 3.458 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.004 2.150 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.612 3.710 -9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.695 1.819 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.856 2.808 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.077 1.133 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.758 0.188 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.080 -0.210 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.399 0.740 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.796 -1.610 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.599 -0.866 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.338 -1.791 -8.937 1.00 0.00 H new ATOM 560 N GLN A 37 0.119 4.162 -6.462 1.00 0.00 N ATOM 561 CA GLN A 37 -0.709 5.246 -5.927 1.00 0.00 C ATOM 562 C GLN A 37 -0.025 5.863 -4.718 1.00 0.00 C ATOM 563 O GLN A 37 0.097 7.081 -4.610 1.00 0.00 O ATOM 564 CB GLN A 37 -2.095 4.761 -5.480 1.00 0.00 C ATOM 565 CG GLN A 37 -3.027 4.278 -6.572 1.00 0.00 C ATOM 566 CD GLN A 37 -4.393 3.914 -6.013 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.516 3.520 -4.863 1.00 0.00 O ATOM 568 NE2 GLN A 37 -5.414 4.012 -6.816 1.00 0.00 N ATOM 0 H GLN A 37 -0.301 3.235 -6.395 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.834 5.971 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.958 3.950 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.586 5.576 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.137 5.055 -7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.591 3.410 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.281 4.344 -7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.346 3.757 -6.489 1.00 0.00 H new ATOM 577 N ILE A 38 0.440 5.008 -3.824 1.00 0.00 N ATOM 578 CA ILE A 38 1.067 5.453 -2.590 1.00 0.00 C ATOM 579 C ILE A 38 2.373 6.191 -2.868 1.00 0.00 C ATOM 580 O ILE A 38 2.613 7.267 -2.307 1.00 0.00 O ATOM 581 CB ILE A 38 1.299 4.286 -1.587 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.041 3.639 -1.211 1.00 0.00 C ATOM 583 CG2 ILE A 38 2.021 4.785 -0.329 1.00 0.00 C ATOM 584 CD1 ILE A 38 0.080 2.482 -0.243 1.00 0.00 C ATOM 0 H ILE A 38 0.395 3.995 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 38 0.370 6.148 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 38 1.930 3.538 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.688 4.399 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.530 3.288 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.173 3.952 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.987 5.207 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.417 5.551 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.911 2.081 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.699 1.701 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.539 2.829 0.683 1.00 0.00 H new ATOM 596 N MET A 39 3.196 5.641 -3.758 1.00 0.00 N ATOM 597 CA MET A 39 4.465 6.274 -4.112 1.00 0.00 C ATOM 598 C MET A 39 4.224 7.660 -4.697 1.00 0.00 C ATOM 599 O MET A 39 4.881 8.628 -4.311 1.00 0.00 O ATOM 600 CB MET A 39 5.328 5.431 -5.084 1.00 0.00 C ATOM 601 CG MET A 39 5.729 4.051 -4.582 1.00 0.00 C ATOM 602 SD MET A 39 6.833 3.228 -5.745 1.00 0.00 S ATOM 603 CE MET A 39 7.302 1.781 -4.807 1.00 0.00 C ATOM 0 H MET A 39 3.009 4.764 -4.245 1.00 0.00 H new ATOM 0 HA MET A 39 5.031 6.355 -3.184 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.779 5.312 -6.018 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.234 5.991 -5.315 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.220 4.142 -3.613 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.837 3.443 -4.431 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.958 1.153 -5.410 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.826 2.088 -3.902 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.409 1.218 -4.536 1.00 0.00 H new ATOM 613 N GLY A 40 3.244 7.755 -5.571 1.00 0.00 N ATOM 614 CA GLY A 40 2.907 9.020 -6.197 1.00 0.00 C ATOM 615 C GLY A 40 2.297 10.004 -5.224 1.00 0.00 C ATOM 616 O GLY A 40 2.507 11.209 -5.331 1.00 0.00 O ATOM 0 H GLY A 40 2.664 6.970 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.805 9.456 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.209 8.842 -7.015 1.00 0.00 H new ATOM 620 N ARG A 41 1.558 9.494 -4.264 1.00 0.00 N ATOM 621 CA ARG A 41 0.931 10.328 -3.255 1.00 0.00 C ATOM 622 C ARG A 41 1.965 10.902 -2.295 1.00 0.00 C ATOM 623 O ARG A 41 2.019 12.109 -2.071 1.00 0.00 O ATOM 624 CB ARG A 41 -0.101 9.538 -2.433 1.00 0.00 C ATOM 625 CG ARG A 41 -0.544 10.305 -1.195 1.00 0.00 C ATOM 626 CD ARG A 41 -1.311 9.463 -0.214 1.00 0.00 C ATOM 627 NE ARG A 41 -0.988 9.890 1.154 1.00 0.00 N ATOM 628 CZ ARG A 41 -1.755 9.768 2.231 1.00 0.00 C ATOM 629 NH1 ARG A 41 -2.984 9.270 2.138 1.00 0.00 N ATOM 630 NH2 ARG A 41 -1.275 10.142 3.409 1.00 0.00 N ATOM 0 H ARG A 41 1.374 8.496 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 41 0.431 11.136 -3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.969 9.318 -3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.328 8.581 -2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.334 10.718 -0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.163 11.148 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.382 9.560 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.060 8.411 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.077 10.327 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.348 8.976 1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.563 9.182 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.329 10.517 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.852 10.055 4.246 1.00 0.00 H new ATOM 644 N GLU A 42 2.791 10.036 -1.759 1.00 0.00 N ATOM 645 CA GLU A 42 3.716 10.415 -0.705 1.00 0.00 C ATOM 646 C GLU A 42 4.995 11.011 -1.247 1.00 0.00 C ATOM 647 O GLU A 42 5.826 11.507 -0.482 1.00 0.00 O ATOM 648 CB GLU A 42 4.041 9.219 0.157 1.00 0.00 C ATOM 649 CG GLU A 42 2.855 8.631 0.934 1.00 0.00 C ATOM 650 CD GLU A 42 2.338 9.538 2.040 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.573 10.508 1.751 1.00 0.00 O ATOM 652 OE2 GLU A 42 2.689 9.311 3.219 1.00 0.00 O ATOM 0 H GLU A 42 2.845 9.055 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 42 3.222 11.182 -0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.462 8.439 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.815 9.504 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.043 8.423 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.154 7.677 1.369 1.00 0.00 H new ATOM 659 N LYS A 43 5.136 10.972 -2.560 1.00 0.00 N ATOM 660 CA LYS A 43 6.309 11.475 -3.294 1.00 0.00 C ATOM 661 C LYS A 43 7.482 10.592 -2.939 1.00 0.00 C ATOM 662 O LYS A 43 8.580 11.045 -2.623 1.00 0.00 O ATOM 663 CB LYS A 43 6.622 12.987 -3.006 1.00 0.00 C ATOM 664 CG LYS A 43 5.396 13.918 -2.852 1.00 0.00 C ATOM 665 CD LYS A 43 4.286 13.606 -3.845 1.00 0.00 C ATOM 666 CE LYS A 43 4.696 13.825 -5.294 1.00 0.00 C ATOM 667 NZ LYS A 43 4.904 15.242 -5.609 1.00 0.00 N ATOM 0 H LYS A 43 4.422 10.580 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 43 6.100 11.433 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.215 13.047 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.244 13.369 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.005 13.830 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.713 14.953 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.973 12.570 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.421 14.231 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.613 13.272 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.927 13.419 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.132 15.343 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.038 15.776 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.690 15.613 -5.038 1.00 0.00 H new ATOM 681 N LEU A 44 7.210 9.324 -3.000 1.00 0.00 N ATOM 682 CA LEU A 44 8.114 8.310 -2.619 1.00 0.00 C ATOM 683 C LEU A 44 9.049 8.026 -3.767 1.00 0.00 C ATOM 684 O LEU A 44 8.612 7.599 -4.838 1.00 0.00 O ATOM 685 CB LEU A 44 7.323 7.057 -2.305 1.00 0.00 C ATOM 686 CG LEU A 44 7.796 6.244 -1.129 1.00 0.00 C ATOM 687 CD1 LEU A 44 7.478 6.978 0.155 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.165 4.870 -1.137 1.00 0.00 C ATOM 0 H LEU A 44 6.314 8.965 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 44 8.688 8.624 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.286 7.343 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.331 6.418 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 44 8.875 6.111 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.821 6.389 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.982 7.944 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.401 7.131 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.521 4.301 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.081 4.967 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.437 4.350 -2.055 1.00 0.00 H new ATOM 700 N LYS A 45 10.306 8.296 -3.568 1.00 0.00 N ATOM 701 CA LYS A 45 11.304 8.017 -4.570 1.00 0.00 C ATOM 702 C LYS A 45 11.586 6.510 -4.635 1.00 0.00 C ATOM 703 O LYS A 45 12.175 5.917 -3.719 1.00 0.00 O ATOM 704 CB LYS A 45 12.607 8.861 -4.397 1.00 0.00 C ATOM 705 CG LYS A 45 13.377 8.700 -3.074 1.00 0.00 C ATOM 706 CD LYS A 45 12.752 9.413 -1.871 1.00 0.00 C ATOM 707 CE LYS A 45 12.767 10.936 -2.019 1.00 0.00 C ATOM 708 NZ LYS A 45 14.143 11.485 -2.029 1.00 0.00 N ATOM 0 H LYS A 45 10.671 8.714 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 45 10.894 8.329 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.283 8.610 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.346 9.913 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.459 7.637 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.391 9.075 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.724 9.074 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.292 9.134 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.260 11.214 -2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.205 11.384 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.103 12.523 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.669 11.118 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.624 11.200 -2.906 1.00 0.00 H new ATOM 722 N ALA A 46 11.156 5.906 -5.721 1.00 0.00 N ATOM 723 CA ALA A 46 11.236 4.465 -5.916 1.00 0.00 C ATOM 724 C ALA A 46 12.649 4.022 -6.311 1.00 0.00 C ATOM 725 O ALA A 46 12.946 2.840 -6.367 1.00 0.00 O ATOM 726 CB ALA A 46 10.201 4.021 -6.949 1.00 0.00 C ATOM 0 H ALA A 46 10.735 6.403 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 46 11.011 3.979 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.267 2.942 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.202 4.281 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.395 4.523 -7.897 1.00 0.00 H new ATOM 732 N ALA A 47 13.512 4.988 -6.579 1.00 0.00 N ATOM 733 CA ALA A 47 14.908 4.709 -6.895 1.00 0.00 C ATOM 734 C ALA A 47 15.724 4.597 -5.612 1.00 0.00 C ATOM 735 O ALA A 47 16.936 4.349 -5.635 1.00 0.00 O ATOM 736 CB ALA A 47 15.478 5.795 -7.799 1.00 0.00 C ATOM 0 H ALA A 47 13.271 5.979 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 47 14.963 3.759 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.521 5.571 -8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.906 5.834 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.416 6.759 -7.294 1.00 0.00 H new ATOM 742 N ASP A 48 15.056 4.800 -4.501 1.00 0.00 N ATOM 743 CA ASP A 48 15.670 4.707 -3.196 1.00 0.00 C ATOM 744 C ASP A 48 15.173 3.472 -2.484 1.00 0.00 C ATOM 745 O ASP A 48 15.961 2.645 -2.007 1.00 0.00 O ATOM 746 CB ASP A 48 15.338 5.945 -2.371 1.00 0.00 C ATOM 747 CG ASP A 48 15.891 5.903 -0.962 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.055 6.238 -0.748 1.00 0.00 O ATOM 749 OD2 ASP A 48 15.166 5.540 -0.036 1.00 0.00 O ATOM 0 H ASP A 48 14.064 5.036 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 48 16.751 4.642 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.730 6.826 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.255 6.060 -2.324 1.00 0.00 H new ATOM 754 N CYS A 49 13.872 3.328 -2.430 1.00 0.00 N ATOM 755 CA CYS A 49 13.270 2.220 -1.752 1.00 0.00 C ATOM 756 C CYS A 49 12.081 1.676 -2.507 1.00 0.00 C ATOM 757 O CYS A 49 11.531 2.328 -3.396 1.00 0.00 O ATOM 758 CB CYS A 49 12.834 2.611 -0.346 1.00 0.00 C ATOM 759 SG CYS A 49 14.176 2.994 0.789 1.00 0.00 S ATOM 0 H CYS A 49 13.208 3.975 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 49 14.030 1.441 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.177 3.478 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.244 1.797 0.075 1.00 0.00 H new ATOM 0 HG CYS A 49 14.811 4.048 0.370 1.00 0.00 H new ATOM 765 N ASP A 50 11.699 0.500 -2.112 1.00 0.00 N ATOM 766 CA ASP A 50 10.599 -0.233 -2.663 1.00 0.00 C ATOM 767 C ASP A 50 9.507 -0.211 -1.606 1.00 0.00 C ATOM 768 O ASP A 50 9.756 0.207 -0.448 1.00 0.00 O ATOM 769 CB ASP A 50 11.025 -1.674 -2.954 1.00 0.00 C ATOM 770 CG ASP A 50 10.128 -2.396 -3.939 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.949 -2.643 -3.640 1.00 0.00 O ATOM 772 OD2 ASP A 50 10.600 -2.736 -5.037 1.00 0.00 O ATOM 0 H ASP A 50 12.170 -0.000 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 50 10.254 0.204 -3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.044 -1.669 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.043 -2.233 -2.018 1.00 0.00 H new ATOM 777 N LEU A 51 8.348 -0.648 -1.942 1.00 0.00 N ATOM 778 CA LEU A 51 7.242 -0.525 -1.068 1.00 0.00 C ATOM 779 C LEU A 51 6.711 -1.911 -0.705 1.00 0.00 C ATOM 780 O LEU A 51 6.203 -2.640 -1.549 1.00 0.00 O ATOM 781 CB LEU A 51 6.190 0.358 -1.745 1.00 0.00 C ATOM 782 CG LEU A 51 5.094 0.912 -0.873 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.709 1.689 0.268 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.200 1.827 -1.680 1.00 0.00 C ATOM 0 H LEU A 51 8.140 -1.101 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 51 7.530 -0.049 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.704 1.196 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.726 -0.221 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 51 4.498 0.088 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.919 2.092 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.345 1.028 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.307 2.508 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.411 2.222 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.790 2.652 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.754 1.267 -2.502 1.00 0.00 H new ATOM 796 N GLN A 52 6.866 -2.274 0.542 1.00 0.00 N ATOM 797 CA GLN A 52 6.466 -3.574 1.023 1.00 0.00 C ATOM 798 C GLN A 52 5.152 -3.418 1.758 1.00 0.00 C ATOM 799 O GLN A 52 5.040 -2.603 2.671 1.00 0.00 O ATOM 800 CB GLN A 52 7.504 -4.091 1.992 1.00 0.00 C ATOM 801 CG GLN A 52 7.629 -5.595 2.035 1.00 0.00 C ATOM 802 CD GLN A 52 8.578 -6.049 3.117 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.671 -5.433 4.190 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.340 -7.071 2.838 1.00 0.00 N ATOM 0 H GLN A 52 7.276 -1.674 1.258 1.00 0.00 H new ATOM 0 HA GLN A 52 6.365 -4.269 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.472 -3.666 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.260 -3.731 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.647 -6.036 2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.979 -5.958 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.237 -7.555 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.038 -7.386 3.512 1.00 0.00 H new ATOM 813 N ILE A 53 4.164 -4.164 1.383 1.00 0.00 N ATOM 814 CA ILE A 53 2.873 -4.024 2.002 1.00 0.00 C ATOM 815 C ILE A 53 2.554 -5.288 2.792 1.00 0.00 C ATOM 816 O ILE A 53 2.765 -6.391 2.310 1.00 0.00 O ATOM 817 CB ILE A 53 1.779 -3.748 0.940 1.00 0.00 C ATOM 818 CG1 ILE A 53 2.159 -2.541 0.044 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.419 -3.531 1.583 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.403 -1.236 0.754 1.00 0.00 C ATOM 0 H ILE A 53 4.219 -4.876 0.655 1.00 0.00 H new ATOM 0 HA ILE A 53 2.893 -3.172 2.682 1.00 0.00 H new ATOM 0 HB ILE A 53 1.712 -4.633 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.058 -2.800 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.362 -2.391 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.324 -3.340 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.136 -4.421 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.468 -2.676 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.661 -0.468 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.502 -0.940 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.224 -1.355 1.461 1.00 0.00 H new ATOM 832 N THR A 54 2.108 -5.132 4.004 1.00 0.00 N ATOM 833 CA THR A 54 1.815 -6.259 4.856 1.00 0.00 C ATOM 834 C THR A 54 0.384 -6.163 5.397 1.00 0.00 C ATOM 835 O THR A 54 -0.096 -5.084 5.668 1.00 0.00 O ATOM 836 CB THR A 54 2.816 -6.268 6.031 1.00 0.00 C ATOM 837 OG1 THR A 54 4.139 -6.144 5.498 1.00 0.00 O ATOM 838 CG2 THR A 54 2.723 -7.561 6.834 1.00 0.00 C ATOM 0 H THR A 54 1.936 -4.223 4.434 1.00 0.00 H new ATOM 0 HA THR A 54 1.905 -7.180 4.280 1.00 0.00 H new ATOM 0 HB THR A 54 2.580 -5.438 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.561 -5.334 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.442 -7.533 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.716 -7.667 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.945 -8.409 6.186 1.00 0.00 H new ATOM 846 N ASN A 55 -0.300 -7.285 5.483 1.00 0.00 N ATOM 847 CA ASN A 55 -1.624 -7.360 6.090 1.00 0.00 C ATOM 848 C ASN A 55 -1.579 -6.913 7.529 1.00 0.00 C ATOM 849 O ASN A 55 -0.829 -7.467 8.319 1.00 0.00 O ATOM 850 CB ASN A 55 -2.126 -8.787 6.052 1.00 0.00 C ATOM 851 CG ASN A 55 -3.087 -9.102 4.926 1.00 0.00 C ATOM 852 OD1 ASN A 55 -3.098 -10.209 4.410 1.00 0.00 O ATOM 853 ND2 ASN A 55 -3.951 -8.175 4.582 1.00 0.00 N ATOM 0 H ASN A 55 0.044 -8.179 5.133 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.290 -6.706 5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.268 -9.455 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.617 -9.008 7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.653 -8.372 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.920 -7.258 5.028 1.00 0.00 H new ATOM 860 N ALA A 56 -2.388 -5.935 7.877 1.00 0.00 N ATOM 861 CA ALA A 56 -2.430 -5.439 9.248 1.00 0.00 C ATOM 862 C ALA A 56 -3.074 -6.462 10.161 1.00 0.00 C ATOM 863 O ALA A 56 -2.752 -6.565 11.333 1.00 0.00 O ATOM 864 CB ALA A 56 -3.201 -4.134 9.310 1.00 0.00 C ATOM 0 H ALA A 56 -3.027 -5.465 7.236 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.408 -5.264 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.225 -3.774 10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.713 -3.393 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.220 -4.296 8.958 1.00 0.00 H new ATOM 870 N GLN A 57 -3.954 -7.242 9.597 1.00 0.00 N ATOM 871 CA GLN A 57 -4.703 -8.195 10.361 1.00 0.00 C ATOM 872 C GLN A 57 -4.012 -9.554 10.458 1.00 0.00 C ATOM 873 O GLN A 57 -3.868 -10.097 11.537 1.00 0.00 O ATOM 874 CB GLN A 57 -6.115 -8.326 9.791 1.00 0.00 C ATOM 875 CG GLN A 57 -6.883 -7.010 9.817 1.00 0.00 C ATOM 876 CD GLN A 57 -8.317 -7.138 9.362 1.00 0.00 C ATOM 877 OE1 GLN A 57 -9.214 -7.378 10.163 1.00 0.00 O ATOM 878 NE2 GLN A 57 -8.540 -7.014 8.091 1.00 0.00 N ATOM 0 H GLN A 57 -4.170 -7.234 8.600 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.765 -7.819 11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.056 -8.688 8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.665 -9.074 10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.867 -6.609 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.372 -6.288 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.768 -6.814 7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.487 -7.116 7.727 1.00 0.00 H new ATOM 887 N THR A 58 -3.555 -10.086 9.347 1.00 0.00 N ATOM 888 CA THR A 58 -3.012 -11.434 9.350 1.00 0.00 C ATOM 889 C THR A 58 -1.478 -11.444 9.292 1.00 0.00 C ATOM 890 O THR A 58 -0.846 -12.494 9.438 1.00 0.00 O ATOM 891 CB THR A 58 -3.564 -12.205 8.139 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.052 -11.604 6.949 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.078 -12.090 8.102 1.00 0.00 C ATOM 0 H THR A 58 -3.546 -9.618 8.441 1.00 0.00 H new ATOM 0 HA THR A 58 -3.313 -11.908 10.284 1.00 0.00 H new ATOM 0 HB THR A 58 -3.271 -13.252 8.213 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.792 -11.228 6.428 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.464 -12.638 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.497 -12.509 9.017 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.361 -11.041 8.020 1.00 0.00 H new ATOM 901 N LYS A 59 -0.887 -10.269 9.082 1.00 0.00 N ATOM 902 CA LYS A 59 0.556 -10.112 8.894 1.00 0.00 C ATOM 903 C LYS A 59 1.111 -10.892 7.704 1.00 0.00 C ATOM 904 O LYS A 59 2.301 -11.231 7.669 1.00 0.00 O ATOM 905 CB LYS A 59 1.357 -10.357 10.170 1.00 0.00 C ATOM 906 CG LYS A 59 1.465 -9.143 11.090 1.00 0.00 C ATOM 907 CD LYS A 59 0.143 -8.691 11.686 1.00 0.00 C ATOM 908 CE LYS A 59 0.358 -7.452 12.541 1.00 0.00 C ATOM 909 NZ LYS A 59 -0.868 -7.029 13.249 1.00 0.00 N ATOM 0 H LYS A 59 -1.401 -9.389 9.037 1.00 0.00 H new ATOM 0 HA LYS A 59 0.688 -9.059 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.896 -11.176 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.361 -10.682 9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.155 -9.377 11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.900 -8.315 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.570 -8.475 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.286 -9.491 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.144 -7.650 13.270 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.708 -6.636 11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.716 -6.094 13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.658 -6.976 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.094 -7.719 13.994 1.00 0.00 H new ATOM 923 N GLU A 60 0.264 -11.164 6.730 1.00 0.00 N ATOM 924 CA GLU A 60 0.732 -11.738 5.505 1.00 0.00 C ATOM 925 C GLU A 60 1.322 -10.629 4.661 1.00 0.00 C ATOM 926 O GLU A 60 0.681 -9.597 4.433 1.00 0.00 O ATOM 927 CB GLU A 60 -0.370 -12.484 4.754 1.00 0.00 C ATOM 928 CG GLU A 60 0.102 -13.045 3.423 1.00 0.00 C ATOM 929 CD GLU A 60 -0.828 -14.056 2.839 1.00 0.00 C ATOM 930 OE1 GLU A 60 -0.704 -15.251 3.187 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.668 -13.706 2.002 1.00 0.00 O ATOM 0 H GLU A 60 -0.741 -10.995 6.772 1.00 0.00 H new ATOM 0 HA GLU A 60 1.494 -12.485 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.740 -13.299 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.208 -11.808 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.225 -12.225 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.083 -13.500 3.557 1.00 0.00 H new ATOM 938 N GLU A 61 2.526 -10.816 4.245 1.00 0.00 N ATOM 939 CA GLU A 61 3.233 -9.815 3.521 1.00 0.00 C ATOM 940 C GLU A 61 3.001 -10.011 2.045 1.00 0.00 C ATOM 941 O GLU A 61 3.014 -11.144 1.542 1.00 0.00 O ATOM 942 CB GLU A 61 4.696 -9.953 3.814 1.00 0.00 C ATOM 943 CG GLU A 61 5.513 -8.700 3.663 1.00 0.00 C ATOM 944 CD GLU A 61 6.888 -8.884 4.245 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.731 -9.540 3.614 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.136 -8.402 5.374 1.00 0.00 O ATOM 0 H GLU A 61 3.054 -11.675 4.398 1.00 0.00 H new ATOM 0 HA GLU A 61 2.885 -8.825 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.810 -10.318 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.109 -10.716 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.592 -8.437 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.011 -7.871 4.161 1.00 0.00 H new ATOM 953 N TYR A 62 2.790 -8.946 1.370 1.00 0.00 N ATOM 954 CA TYR A 62 2.600 -8.957 -0.037 1.00 0.00 C ATOM 955 C TYR A 62 3.876 -8.463 -0.677 1.00 0.00 C ATOM 956 O TYR A 62 4.204 -7.270 -0.595 1.00 0.00 O ATOM 957 CB TYR A 62 1.459 -8.049 -0.409 1.00 0.00 C ATOM 958 CG TYR A 62 0.103 -8.443 0.141 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.537 -9.586 -0.306 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.548 -7.657 1.087 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.777 -9.942 0.163 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.800 -8.007 1.558 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.408 -9.152 1.087 1.00 0.00 C ATOM 964 OH TYR A 62 -3.655 -9.507 1.541 1.00 0.00 O ATOM 0 H TYR A 62 2.743 -8.016 1.787 1.00 0.00 H new ATOM 0 HA TYR A 62 2.363 -9.964 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.692 -7.042 -0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.392 -8.006 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.050 -10.211 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.069 -6.763 1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.254 -10.842 -0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.298 -7.388 2.290 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.584 -9.853 2.455 1.00 0.00 H new ATOM 974 N THR A 63 4.602 -9.356 -1.261 1.00 0.00 N ATOM 975 CA THR A 63 5.872 -9.039 -1.822 1.00 0.00 C ATOM 976 C THR A 63 5.807 -8.894 -3.339 1.00 0.00 C ATOM 977 O THR A 63 6.698 -8.291 -3.958 1.00 0.00 O ATOM 978 CB THR A 63 6.881 -10.114 -1.407 1.00 0.00 C ATOM 979 OG1 THR A 63 6.288 -11.415 -1.600 1.00 0.00 O ATOM 980 CG2 THR A 63 7.251 -9.946 0.060 1.00 0.00 C ATOM 0 H THR A 63 4.329 -10.333 -1.363 1.00 0.00 H new ATOM 0 HA THR A 63 6.194 -8.071 -1.437 1.00 0.00 H new ATOM 0 HB THR A 63 7.780 -10.017 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.929 -12.109 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.969 -10.715 0.345 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.694 -8.962 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.355 -10.040 0.674 1.00 0.00 H new ATOM 988 N ASP A 64 4.753 -9.419 -3.934 1.00 0.00 N ATOM 989 CA ASP A 64 4.607 -9.360 -5.379 1.00 0.00 C ATOM 990 C ASP A 64 3.571 -8.360 -5.750 1.00 0.00 C ATOM 991 O ASP A 64 2.508 -8.332 -5.148 1.00 0.00 O ATOM 992 CB ASP A 64 4.143 -10.672 -5.947 1.00 0.00 C ATOM 993 CG ASP A 64 4.527 -10.795 -7.386 1.00 0.00 C ATOM 994 OD1 ASP A 64 3.799 -10.276 -8.238 1.00 0.00 O ATOM 995 OD2 ASP A 64 5.564 -11.410 -7.682 1.00 0.00 O ATOM 0 H ASP A 64 3.990 -9.888 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 64 5.588 -9.099 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.579 -11.494 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.061 -10.754 -5.847 1.00 0.00 H new ATOM 1000 N ASP A 65 3.824 -7.608 -6.794 1.00 0.00 N ATOM 1001 CA ASP A 65 2.880 -6.601 -7.300 1.00 0.00 C ATOM 1002 C ASP A 65 1.572 -7.232 -7.777 1.00 0.00 C ATOM 1003 O ASP A 65 0.559 -6.536 -7.930 1.00 0.00 O ATOM 1004 CB ASP A 65 3.487 -5.779 -8.447 1.00 0.00 C ATOM 1005 CG ASP A 65 4.489 -4.731 -8.017 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.578 -5.085 -7.531 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.215 -3.518 -8.150 1.00 0.00 O ATOM 0 H ASP A 65 4.690 -7.666 -7.329 1.00 0.00 H new ATOM 0 HA ASP A 65 2.667 -5.940 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.973 -6.460 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.679 -5.288 -8.990 1.00 0.00 H new ATOM 1012 N ASN A 66 1.589 -8.548 -7.993 1.00 0.00 N ATOM 1013 CA ASN A 66 0.416 -9.281 -8.472 1.00 0.00 C ATOM 1014 C ASN A 66 -0.598 -9.518 -7.344 1.00 0.00 C ATOM 1015 O ASN A 66 -1.725 -9.978 -7.592 1.00 0.00 O ATOM 1016 CB ASN A 66 0.841 -10.639 -9.113 1.00 0.00 C ATOM 1017 CG ASN A 66 0.821 -11.892 -8.196 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.242 -11.777 -6.963 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 0.483 -12.980 -8.652 1.00 0.00 N flip ATOM 0 H ASN A 66 2.411 -9.133 -7.842 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.067 -8.669 -9.233 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.186 -10.831 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.851 -10.525 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.157 -13.050 -9.616 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.528 -13.814 -8.067 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.175 -9.231 -6.114 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.003 -9.413 -4.936 1.00 0.00 C ATOM 1028 C ALA A 67 -2.138 -8.395 -4.949 1.00 0.00 C ATOM 1029 O ALA A 67 -1.992 -7.357 -5.534 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.143 -9.275 -3.693 1.00 0.00 C ATOM 0 H ALA A 67 0.755 -8.865 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.446 -10.409 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.761 -9.411 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.642 -10.031 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.309 -8.283 -3.672 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.269 -8.712 -4.382 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.406 -7.792 -4.404 1.00 0.00 C ATOM 1038 C LEU A 68 -4.819 -7.387 -2.986 1.00 0.00 C ATOM 1039 O LEU A 68 -4.794 -8.220 -2.072 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.574 -8.412 -5.189 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.320 -9.566 -4.515 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.478 -9.042 -3.703 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.775 -10.591 -5.521 1.00 0.00 C ATOM 0 H LEU A 68 -3.442 -9.593 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.106 -6.878 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.294 -7.623 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.190 -8.767 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.628 -10.066 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.998 -9.875 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.106 -8.364 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.168 -8.508 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.301 -11.396 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.445 -10.121 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.909 -10.998 -6.043 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.131 -6.126 -2.774 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.623 -5.705 -1.477 1.00 0.00 C ATOM 1057 C ILE A 69 -7.023 -5.070 -1.610 1.00 0.00 C ATOM 1058 O ILE A 69 -7.204 -4.092 -2.321 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.667 -4.718 -0.704 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.266 -5.314 -0.471 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.277 -4.315 0.640 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.339 -5.285 -1.666 1.00 0.00 C ATOM 0 H ILE A 69 -5.055 -5.384 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.670 -6.615 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.555 -3.838 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.792 -4.773 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.380 -6.348 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.601 -3.634 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.233 -3.819 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.432 -5.205 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.381 -5.728 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.782 -5.853 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.185 -4.253 -1.982 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.033 -5.679 -0.990 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.399 -5.145 -0.967 1.00 0.00 C ATOM 1076 C PRO A 70 -9.587 -3.983 0.008 1.00 0.00 C ATOM 1077 O PRO A 70 -8.891 -3.879 1.018 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.231 -6.338 -0.514 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.290 -7.172 0.284 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.933 -6.974 -0.304 1.00 0.00 C ATOM 0 HA PRO A 70 -9.676 -4.736 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.085 -6.021 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.627 -6.892 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.304 -6.875 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.578 -8.223 0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.162 -6.960 0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.677 -7.775 -0.997 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.583 -3.141 -0.275 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.914 -1.993 0.584 1.00 0.00 C ATOM 1090 C LYS A 71 -11.577 -2.445 1.879 1.00 0.00 C ATOM 1091 O LYS A 71 -11.775 -1.675 2.813 1.00 0.00 O ATOM 1092 CB LYS A 71 -11.786 -1.001 -0.190 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.109 -1.529 -0.724 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.263 -1.294 0.245 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.606 -1.687 -0.365 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.002 -0.814 -1.508 1.00 0.00 N ATOM 0 H LYS A 71 -11.180 -3.230 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.992 -1.486 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.996 -0.152 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.206 -0.622 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.333 -1.046 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.017 -2.597 -0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.095 -1.869 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.288 -0.243 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.556 -2.722 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.376 -1.641 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.849 -1.206 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.210 0.143 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.224 -0.769 -2.197 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.887 -3.713 1.913 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.495 -4.351 3.074 1.00 0.00 C ATOM 1112 C ASN A 72 -11.407 -4.772 4.051 1.00 0.00 C ATOM 1113 O ASN A 72 -11.678 -5.315 5.110 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.313 -5.586 2.650 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.472 -5.262 1.716 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -15.056 -4.177 1.766 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.801 -6.188 0.853 1.00 0.00 N ATOM 0 H ASN A 72 -11.727 -4.349 1.132 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.165 -3.637 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.650 -6.298 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.703 -6.076 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.562 -6.024 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.297 -7.074 0.839 1.00 0.00 H new ATOM 1124 N SER A 73 -10.172 -4.528 3.673 1.00 0.00 N ATOM 1125 CA SER A 73 -9.042 -4.873 4.475 1.00 0.00 C ATOM 1126 C SER A 73 -8.228 -3.631 4.835 1.00 0.00 C ATOM 1127 O SER A 73 -8.524 -2.517 4.393 1.00 0.00 O ATOM 1128 CB SER A 73 -8.179 -5.881 3.727 1.00 0.00 C ATOM 1129 OG SER A 73 -8.899 -7.086 3.498 1.00 0.00 O ATOM 0 H SER A 73 -9.932 -4.079 2.789 1.00 0.00 H new ATOM 0 HA SER A 73 -9.393 -5.320 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.857 -5.457 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.278 -6.093 4.302 1.00 0.00 H new ATOM 0 HG SER A 73 -8.329 -7.721 3.015 1.00 0.00 H new ATOM 1135 N SER A 74 -7.233 -3.822 5.659 1.00 0.00 N ATOM 1136 CA SER A 74 -6.343 -2.780 6.061 1.00 0.00 C ATOM 1137 C SER A 74 -4.932 -3.348 6.057 1.00 0.00 C ATOM 1138 O SER A 74 -4.722 -4.531 6.422 1.00 0.00 O ATOM 1139 CB SER A 74 -6.753 -2.259 7.438 1.00 0.00 C ATOM 1140 OG SER A 74 -8.113 -1.834 7.392 1.00 0.00 O ATOM 0 H SER A 74 -7.019 -4.728 6.075 1.00 0.00 H new ATOM 0 HA SER A 74 -6.383 -1.933 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.629 -3.041 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.110 -1.430 7.733 1.00 0.00 H new ATOM 0 HG SER A 74 -8.381 -1.500 8.273 1.00 0.00 H new ATOM 1146 N VAL A 75 -3.992 -2.569 5.604 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.627 -3.021 5.448 1.00 0.00 C ATOM 1148 C VAL A 75 -1.609 -2.040 6.025 1.00 0.00 C ATOM 1149 O VAL A 75 -1.911 -0.876 6.278 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.278 -3.367 3.957 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -2.889 -4.697 3.550 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.779 -2.288 3.004 1.00 0.00 C ATOM 0 H VAL A 75 -4.145 -1.598 5.330 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.558 -3.941 6.029 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.192 -3.427 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.632 -4.913 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.501 -5.487 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.973 -4.646 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.521 -2.559 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.862 -2.198 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.313 -1.335 3.256 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.432 -2.539 6.253 1.00 0.00 N ATOM 1163 CA ILE A 76 0.673 -1.787 6.775 1.00 0.00 C ATOM 1164 C ILE A 76 1.633 -1.564 5.631 1.00 0.00 C ATOM 1165 O ILE A 76 1.950 -2.504 4.887 1.00 0.00 O ATOM 1166 CB ILE A 76 1.413 -2.572 7.900 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.428 -3.079 8.964 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.487 -1.701 8.551 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.336 -1.990 9.678 1.00 0.00 C ATOM 0 H ILE A 76 -0.205 -3.517 6.075 1.00 0.00 H new ATOM 0 HA ILE A 76 0.311 -0.851 7.200 1.00 0.00 H new ATOM 0 HB ILE A 76 1.893 -3.435 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.284 -3.754 8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.978 -3.663 9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.991 -2.269 9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.214 -1.396 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.023 -0.816 8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.007 -2.437 10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.365 -1.327 10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.917 -1.419 8.954 1.00 0.00 H new ATOM 1181 N VAL A 77 2.062 -0.363 5.470 1.00 0.00 N ATOM 1182 CA VAL A 77 2.939 0.004 4.406 1.00 0.00 C ATOM 1183 C VAL A 77 4.334 0.201 4.957 1.00 0.00 C ATOM 1184 O VAL A 77 4.566 1.070 5.806 1.00 0.00 O ATOM 1185 CB VAL A 77 2.444 1.293 3.737 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.306 1.676 2.579 1.00 0.00 C ATOM 1187 CG2 VAL A 77 1.022 1.126 3.298 1.00 0.00 C ATOM 0 H VAL A 77 1.810 0.411 6.085 1.00 0.00 H new ATOM 0 HA VAL A 77 2.956 -0.788 3.657 1.00 0.00 H new ATOM 0 HB VAL A 77 2.502 2.098 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.925 2.593 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.327 1.837 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.295 0.877 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.677 2.045 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.955 0.303 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.397 0.908 4.164 1.00 0.00 H new ATOM 1197 N ARG A 78 5.238 -0.605 4.501 1.00 0.00 N ATOM 1198 CA ARG A 78 6.582 -0.602 4.975 1.00 0.00 C ATOM 1199 C ARG A 78 7.556 -0.294 3.843 1.00 0.00 C ATOM 1200 O ARG A 78 7.584 -0.963 2.827 1.00 0.00 O ATOM 1201 CB ARG A 78 6.863 -1.945 5.672 1.00 0.00 C ATOM 1202 CG ARG A 78 8.295 -2.179 6.106 1.00 0.00 C ATOM 1203 CD ARG A 78 8.371 -3.269 7.171 1.00 0.00 C ATOM 1204 NE ARG A 78 7.730 -4.544 6.788 1.00 0.00 N ATOM 1205 CZ ARG A 78 6.999 -5.308 7.643 1.00 0.00 C ATOM 1206 NH1 ARG A 78 6.806 -4.904 8.905 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.489 -6.473 7.249 1.00 0.00 N ATOM 0 H ARG A 78 5.058 -1.297 3.774 1.00 0.00 H new ATOM 0 HA ARG A 78 6.726 0.191 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.221 -2.018 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.572 -2.750 4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.898 -2.465 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.716 -1.253 6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.419 -3.459 7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.903 -2.901 8.084 1.00 0.00 H new ATOM 0 HE ARG A 78 7.842 -4.870 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.207 -4.023 9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.258 -5.478 9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.645 -6.802 6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.942 -7.037 7.900 1.00 0.00 H new ATOM 1221 N ARG A 79 8.310 0.755 4.016 1.00 0.00 N ATOM 1222 CA ARG A 79 9.293 1.170 3.035 1.00 0.00 C ATOM 1223 C ARG A 79 10.560 0.343 3.214 1.00 0.00 C ATOM 1224 O ARG A 79 11.183 0.385 4.287 1.00 0.00 O ATOM 1225 CB ARG A 79 9.579 2.660 3.221 1.00 0.00 C ATOM 1226 CG ARG A 79 10.668 3.223 2.338 1.00 0.00 C ATOM 1227 CD ARG A 79 10.863 4.700 2.609 1.00 0.00 C ATOM 1228 NE ARG A 79 11.983 5.259 1.854 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.140 6.559 1.567 1.00 0.00 C ATOM 1230 NH1 ARG A 79 11.215 7.457 1.922 1.00 0.00 N ATOM 1231 NH2 ARG A 79 13.215 6.965 0.933 1.00 0.00 N ATOM 0 H ARG A 79 8.266 1.353 4.841 1.00 0.00 H new ATOM 0 HA ARG A 79 8.917 1.009 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.660 3.216 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.852 2.834 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.601 2.689 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.409 3.071 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.950 5.238 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.034 4.852 3.675 1.00 0.00 H new ATOM 0 HE ARG A 79 12.698 4.612 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.376 7.156 2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.348 8.443 1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.930 6.292 0.659 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.335 7.954 0.714 1.00 0.00 H new ATOM 1245 N ILE A 80 10.933 -0.404 2.198 1.00 0.00 N ATOM 1246 CA ILE A 80 12.089 -1.289 2.285 1.00 0.00 C ATOM 1247 C ILE A 80 13.090 -0.964 1.182 1.00 0.00 C ATOM 1248 O ILE A 80 12.713 -0.416 0.170 1.00 0.00 O ATOM 1249 CB ILE A 80 11.664 -2.810 2.251 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.937 -3.220 0.952 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.819 -3.166 3.448 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.860 -3.669 -0.155 1.00 0.00 C ATOM 0 H ILE A 80 10.455 -0.421 1.297 1.00 0.00 H new ATOM 0 HA ILE A 80 12.573 -1.118 3.247 1.00 0.00 H new ATOM 0 HB ILE A 80 12.596 -3.374 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.239 -4.026 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.345 -2.376 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.542 -4.219 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.386 -2.984 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.918 -2.553 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.272 -3.940 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.542 -2.858 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.434 -4.534 0.178 1.00 0.00 H new ATOM 1264 N PRO A 81 14.374 -1.255 1.375 1.00 0.00 N ATOM 1265 CA PRO A 81 15.395 -1.008 0.356 1.00 0.00 C ATOM 1266 C PRO A 81 15.131 -1.808 -0.912 1.00 0.00 C ATOM 1267 O PRO A 81 14.958 -3.021 -0.848 1.00 0.00 O ATOM 1268 CB PRO A 81 16.688 -1.506 1.000 1.00 0.00 C ATOM 1269 CG PRO A 81 16.255 -2.374 2.130 1.00 0.00 C ATOM 1270 CD PRO A 81 14.946 -1.834 2.595 1.00 0.00 C ATOM 0 HA PRO A 81 15.421 0.042 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.294 -2.063 0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.297 -0.674 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.156 -3.411 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.990 -2.359 2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.310 -2.618 3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.073 -1.084 3.376 1.00 0.00 H new