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 26:sc= -0.262 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -109:sc= -0.603 (180deg=-1.84) USER MOD Set 2.1: A 55 ASN : amide:sc= 2.48 K(o=3.5,f=-11!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= -0.0323 USER MOD Set 2.3: A 62 TYR OH : rot 30:sc= 1.01 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 1.06 (180deg=0.659) USER MOD Single : A 14 SER OG : rot 113:sc= -0.752 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= 2.17 (180deg=-0.196) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-5.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 1.21 (180deg=1.15) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0123) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 39 MET CE :methyl -167:sc= -0.0584 (180deg=-0.329) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.441) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 44:sc= 2.14 USER MOD Single : A 52 GLN : amide:sc= -2.24! C(o=-2.2!,f=-5.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 57 GLN : amide:sc= -0.0031 X(o=-0.0031,f=-0.0031) USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.16) USER MOD Single : A 63 THR OG1 : rot 51:sc= 0.937 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 73 SER OG : rot -170:sc= -1.16 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.764 1.776 -2.613 1.00 0.00 N ATOM 79 CA SER A 7 -13.761 0.855 -2.203 1.00 0.00 C ATOM 80 C SER A 7 -12.585 1.593 -1.601 1.00 0.00 C ATOM 81 O SER A 7 -11.914 2.374 -2.268 1.00 0.00 O ATOM 82 CB SER A 7 -13.359 -0.066 -3.340 1.00 0.00 C ATOM 83 OG SER A 7 -14.490 -0.795 -3.816 1.00 0.00 O ATOM 0 HA SER A 7 -14.171 0.212 -1.424 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.926 0.517 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.589 -0.759 -3.000 1.00 0.00 H new ATOM 0 HG SER A 7 -15.308 -0.290 -3.627 1.00 0.00 H new ATOM 89 N CYS A 8 -12.376 1.374 -0.337 1.00 0.00 N ATOM 90 CA CYS A 8 -11.334 2.032 0.386 1.00 0.00 C ATOM 91 C CYS A 8 -10.546 1.040 1.220 1.00 0.00 C ATOM 92 O CYS A 8 -11.121 0.150 1.855 1.00 0.00 O ATOM 93 CB CYS A 8 -11.931 3.135 1.268 1.00 0.00 C ATOM 94 SG CYS A 8 -13.285 2.585 2.333 1.00 0.00 S ATOM 0 H CYS A 8 -12.930 0.727 0.224 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.645 2.486 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.141 3.553 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.292 3.940 0.628 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.718 3.588 3.038 1.00 0.00 H new ATOM 100 N VAL A 9 -9.252 1.171 1.183 1.00 0.00 N ATOM 101 CA VAL A 9 -8.368 0.347 1.962 1.00 0.00 C ATOM 102 C VAL A 9 -7.743 1.191 3.037 1.00 0.00 C ATOM 103 O VAL A 9 -7.201 2.277 2.753 1.00 0.00 O ATOM 104 CB VAL A 9 -7.254 -0.327 1.086 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.147 -0.922 1.949 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.847 -1.430 0.248 1.00 0.00 C ATOM 0 H VAL A 9 -8.773 1.861 0.604 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.953 -0.460 2.402 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.831 0.450 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.393 -1.380 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.687 -0.134 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.569 -1.678 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.064 -1.890 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.292 -2.182 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.614 -1.017 -0.407 1.00 0.00 H new ATOM 116 N HIS A 10 -7.867 0.731 4.253 1.00 0.00 N ATOM 117 CA HIS A 10 -7.256 1.356 5.377 1.00 0.00 C ATOM 118 C HIS A 10 -5.838 0.895 5.443 1.00 0.00 C ATOM 119 O HIS A 10 -5.563 -0.285 5.686 1.00 0.00 O ATOM 120 CB HIS A 10 -7.990 1.017 6.678 1.00 0.00 C ATOM 121 CG HIS A 10 -9.310 1.710 6.846 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.550 2.689 7.788 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.485 1.530 6.192 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.825 3.066 7.684 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.443 2.391 6.728 1.00 0.00 N ATOM 0 H HIS A 10 -8.406 -0.103 4.486 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.303 2.439 5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.152 -0.060 6.719 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.348 1.275 7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.652 0.832 5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.291 3.822 8.298 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.418 2.482 6.442 1.00 0.00 H new ATOM 133 N TYR A 11 -4.955 1.786 5.189 1.00 0.00 N ATOM 134 CA TYR A 11 -3.577 1.473 5.174 1.00 0.00 C ATOM 135 C TYR A 11 -2.876 2.439 6.076 1.00 0.00 C ATOM 136 O TYR A 11 -3.231 3.594 6.111 1.00 0.00 O ATOM 137 CB TYR A 11 -3.010 1.567 3.731 1.00 0.00 C ATOM 138 CG TYR A 11 -2.840 2.987 3.171 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.868 3.631 2.504 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.626 3.669 3.315 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.693 4.913 2.001 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.446 4.939 2.822 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.481 5.559 2.164 1.00 0.00 C ATOM 144 OH TYR A 11 -2.309 6.829 1.668 1.00 0.00 O ATOM 0 H TYR A 11 -5.170 2.762 4.984 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.421 0.452 5.521 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.040 1.069 3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.669 1.011 3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.816 3.131 2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.809 3.184 3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.503 5.405 1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.500 5.445 2.950 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.401 7.138 1.868 1.00 0.00 H new ATOM 154 N LYS A 12 -1.936 2.005 6.825 1.00 0.00 N ATOM 155 CA LYS A 12 -1.200 2.956 7.597 1.00 0.00 C ATOM 156 C LYS A 12 0.251 2.816 7.239 1.00 0.00 C ATOM 157 O LYS A 12 0.735 1.701 7.029 1.00 0.00 O ATOM 158 CB LYS A 12 -1.420 2.809 9.127 1.00 0.00 C ATOM 159 CG LYS A 12 -0.455 1.874 9.829 1.00 0.00 C ATOM 160 CD LYS A 12 -0.661 1.870 11.328 1.00 0.00 C ATOM 161 CE LYS A 12 0.560 1.296 12.023 1.00 0.00 C ATOM 162 NZ LYS A 12 1.754 2.161 11.814 1.00 0.00 N ATOM 0 H LYS A 12 -1.656 1.030 6.927 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.563 3.955 7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.345 3.795 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.436 2.454 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.583 0.863 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.569 2.174 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.845 2.885 11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.543 1.280 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.361 1.197 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.762 0.295 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.465 1.954 12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.159 1.973 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.474 3.161 11.876 1.00 0.00 H new ATOM 176 N PHE A 13 0.933 3.912 7.116 1.00 0.00 N ATOM 177 CA PHE A 13 2.337 3.870 6.820 1.00 0.00 C ATOM 178 C PHE A 13 3.101 3.546 8.105 1.00 0.00 C ATOM 179 O PHE A 13 2.512 3.541 9.208 1.00 0.00 O ATOM 180 CB PHE A 13 2.803 5.200 6.222 1.00 0.00 C ATOM 181 CG PHE A 13 3.592 5.048 4.965 1.00 0.00 C ATOM 182 CD1 PHE A 13 4.915 4.633 4.992 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.001 5.304 3.748 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.622 4.481 3.825 1.00 0.00 C ATOM 185 CE2 PHE A 13 3.705 5.152 2.585 1.00 0.00 C ATOM 186 CZ PHE A 13 5.013 4.740 2.622 1.00 0.00 C ATOM 0 H PHE A 13 0.543 4.849 7.215 1.00 0.00 H new ATOM 0 HA PHE A 13 2.534 3.095 6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.932 5.823 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.408 5.728 6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.393 4.428 5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.971 5.628 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.653 4.159 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.231 5.357 1.637 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.565 4.619 1.702 1.00 0.00 H new ATOM 196 N SER A 14 4.381 3.295 7.977 1.00 0.00 N ATOM 197 CA SER A 14 5.231 2.926 9.085 1.00 0.00 C ATOM 198 C SER A 14 5.221 3.996 10.199 1.00 0.00 C ATOM 199 O SER A 14 5.186 3.671 11.395 1.00 0.00 O ATOM 200 CB SER A 14 6.638 2.722 8.548 1.00 0.00 C ATOM 201 OG SER A 14 6.596 1.900 7.376 1.00 0.00 O ATOM 0 H SER A 14 4.871 3.342 7.084 1.00 0.00 H new ATOM 0 HA SER A 14 4.857 2.007 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.090 3.685 8.312 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.263 2.255 9.309 1.00 0.00 H new ATOM 0 HG SER A 14 6.860 2.430 6.595 1.00 0.00 H new ATOM 207 N SER A 15 5.176 5.250 9.808 1.00 0.00 N ATOM 208 CA SER A 15 5.197 6.329 10.760 1.00 0.00 C ATOM 209 C SER A 15 3.787 6.934 10.980 1.00 0.00 C ATOM 210 O SER A 15 3.631 7.957 11.651 1.00 0.00 O ATOM 211 CB SER A 15 6.214 7.372 10.309 1.00 0.00 C ATOM 212 OG SER A 15 7.493 6.757 10.089 1.00 0.00 O ATOM 0 H SER A 15 5.124 5.545 8.833 1.00 0.00 H new ATOM 0 HA SER A 15 5.504 5.942 11.732 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.871 7.852 9.392 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.303 8.153 11.064 1.00 0.00 H new ATOM 0 HG SER A 15 8.137 7.436 9.798 1.00 0.00 H new ATOM 218 N LYS A 16 2.768 6.275 10.448 1.00 0.00 N ATOM 219 CA LYS A 16 1.399 6.727 10.646 1.00 0.00 C ATOM 220 C LYS A 16 0.816 6.025 11.854 1.00 0.00 C ATOM 221 O LYS A 16 0.998 4.804 12.025 1.00 0.00 O ATOM 222 CB LYS A 16 0.508 6.452 9.420 1.00 0.00 C ATOM 223 CG LYS A 16 0.853 7.226 8.149 1.00 0.00 C ATOM 224 CD LYS A 16 0.689 8.735 8.301 1.00 0.00 C ATOM 225 CE LYS A 16 0.962 9.450 6.982 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.067 9.156 5.945 1.00 0.00 N ATOM 0 H LYS A 16 2.862 5.433 9.881 1.00 0.00 H new ATOM 0 HA LYS A 16 1.425 7.806 10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.554 5.386 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.524 6.677 9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.882 7.006 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.217 6.878 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.322 8.962 8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.372 9.103 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.999 10.525 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.943 9.154 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.397 8.791 5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.732 8.444 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.585 10.027 5.713 1.00 0.00 H new ATOM 240 N LEU A 17 0.148 6.773 12.692 1.00 0.00 N ATOM 241 CA LEU A 17 -0.472 6.220 13.883 1.00 0.00 C ATOM 242 C LEU A 17 -1.939 5.935 13.614 1.00 0.00 C ATOM 243 O LEU A 17 -2.564 5.097 14.273 1.00 0.00 O ATOM 244 CB LEU A 17 -0.315 7.176 15.066 1.00 0.00 C ATOM 245 CG LEU A 17 1.125 7.491 15.484 1.00 0.00 C ATOM 246 CD1 LEU A 17 1.140 8.483 16.626 1.00 0.00 C ATOM 247 CD2 LEU A 17 1.875 6.223 15.874 1.00 0.00 C ATOM 0 H LEU A 17 0.015 7.778 12.576 1.00 0.00 H new ATOM 0 HA LEU A 17 0.027 5.285 14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.815 8.113 14.820 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.837 6.751 15.923 1.00 0.00 H new ATOM 0 HG LEU A 17 1.633 7.934 14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.171 8.695 16.910 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.653 9.406 16.312 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.608 8.063 17.480 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.894 6.478 16.166 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.367 5.743 16.711 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.901 5.540 15.025 1.00 0.00 H new ATOM 259 N ASN A 18 -2.481 6.637 12.655 1.00 0.00 N ATOM 260 CA ASN A 18 -3.847 6.443 12.221 1.00 0.00 C ATOM 261 C ASN A 18 -3.803 5.763 10.883 1.00 0.00 C ATOM 262 O ASN A 18 -2.744 5.734 10.235 1.00 0.00 O ATOM 263 CB ASN A 18 -4.593 7.791 12.068 1.00 0.00 C ATOM 264 CG ASN A 18 -4.746 8.597 13.355 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.862 7.938 14.472 1.00 0.00 O flip ATOM 266 ND2 ASN A 18 -4.788 9.829 13.326 1.00 0.00 N flip ATOM 0 H ASN A 18 -1.985 7.368 12.145 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.377 5.848 12.965 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.063 8.401 11.337 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.585 7.595 11.660 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.695 10.322 12.438 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.916 10.355 14.190 1.00 0.00 H new ATOM 273 N TYR A 19 -4.900 5.234 10.448 1.00 0.00 N ATOM 274 CA TYR A 19 -4.949 4.608 9.159 1.00 0.00 C ATOM 275 C TYR A 19 -5.390 5.595 8.120 1.00 0.00 C ATOM 276 O TYR A 19 -6.272 6.423 8.357 1.00 0.00 O ATOM 277 CB TYR A 19 -5.861 3.375 9.143 1.00 0.00 C ATOM 278 CG TYR A 19 -5.296 2.166 9.864 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.262 2.103 11.250 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.796 1.084 9.147 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.750 1.003 11.899 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.283 -0.023 9.792 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.263 -0.060 11.170 1.00 0.00 C ATOM 284 OH TYR A 19 -3.758 -1.165 11.826 1.00 0.00 O ATOM 0 H TYR A 19 -5.779 5.221 10.965 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.941 4.265 8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.816 3.639 9.597 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.064 3.103 8.107 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.644 2.931 11.829 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.809 1.111 8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.730 0.973 12.978 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.899 -0.855 9.221 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.165 -1.978 11.459 1.00 0.00 H new ATOM 294 N ASP A 20 -4.756 5.534 7.008 1.00 0.00 N ATOM 295 CA ASP A 20 -5.087 6.329 5.868 1.00 0.00 C ATOM 296 C ASP A 20 -6.016 5.512 5.014 1.00 0.00 C ATOM 297 O ASP A 20 -6.223 4.323 5.279 1.00 0.00 O ATOM 298 CB ASP A 20 -3.833 6.695 5.056 1.00 0.00 C ATOM 299 CG ASP A 20 -2.920 7.705 5.714 1.00 0.00 C ATOM 300 OD1 ASP A 20 -3.103 8.919 5.494 1.00 0.00 O ATOM 301 OD2 ASP A 20 -1.982 7.312 6.446 1.00 0.00 O ATOM 0 H ASP A 20 -3.964 4.910 6.854 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.551 7.261 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.265 5.785 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.146 7.087 4.088 1.00 0.00 H new ATOM 306 N THR A 21 -6.542 6.094 4.000 1.00 0.00 N ATOM 307 CA THR A 21 -7.466 5.433 3.162 1.00 0.00 C ATOM 308 C THR A 21 -7.162 5.714 1.730 1.00 0.00 C ATOM 309 O THR A 21 -6.936 6.863 1.341 1.00 0.00 O ATOM 310 CB THR A 21 -8.916 5.833 3.498 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.966 7.203 3.961 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.523 4.895 4.528 1.00 0.00 C ATOM 0 H THR A 21 -6.339 7.056 3.727 1.00 0.00 H new ATOM 0 HA THR A 21 -7.370 4.361 3.336 1.00 0.00 H new ATOM 0 HB THR A 21 -9.508 5.751 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.893 7.444 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.546 5.204 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.526 3.878 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.933 4.930 5.444 1.00 0.00 H new ATOM 320 N VAL A 22 -7.073 4.680 0.970 1.00 0.00 N ATOM 321 CA VAL A 22 -6.866 4.813 -0.423 1.00 0.00 C ATOM 322 C VAL A 22 -8.141 4.344 -1.102 1.00 0.00 C ATOM 323 O VAL A 22 -8.763 3.371 -0.641 1.00 0.00 O ATOM 324 CB VAL A 22 -5.612 4.013 -0.888 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.813 2.507 -0.902 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.063 4.550 -2.181 1.00 0.00 C ATOM 0 H VAL A 22 -7.142 3.717 1.300 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.661 5.849 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.849 4.174 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.897 2.021 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.060 2.164 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.627 2.255 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.189 3.968 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.825 4.478 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.776 5.593 -2.049 1.00 0.00 H new ATOM 336 N THR A 23 -8.571 5.031 -2.124 1.00 0.00 N ATOM 337 CA THR A 23 -9.829 4.704 -2.737 1.00 0.00 C ATOM 338 C THR A 23 -9.683 4.246 -4.182 1.00 0.00 C ATOM 339 O THR A 23 -8.823 4.722 -4.926 1.00 0.00 O ATOM 340 CB THR A 23 -10.843 5.869 -2.621 1.00 0.00 C ATOM 341 OG1 THR A 23 -10.248 7.090 -3.072 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.317 6.043 -1.189 1.00 0.00 C ATOM 0 H THR A 23 -8.074 5.815 -2.547 1.00 0.00 H new ATOM 0 HA THR A 23 -10.224 3.856 -2.178 1.00 0.00 H new ATOM 0 HB THR A 23 -11.701 5.625 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.899 7.819 -2.996 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.028 6.868 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.801 5.126 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.463 6.260 -0.547 1.00 0.00 H new ATOM 350 N PHE A 24 -10.508 3.310 -4.542 1.00 0.00 N ATOM 351 CA PHE A 24 -10.566 2.726 -5.859 1.00 0.00 C ATOM 352 C PHE A 24 -11.979 2.218 -6.054 1.00 0.00 C ATOM 353 O PHE A 24 -12.794 2.330 -5.128 1.00 0.00 O ATOM 354 CB PHE A 24 -9.518 1.587 -6.006 1.00 0.00 C ATOM 355 CG PHE A 24 -9.577 0.527 -4.925 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.006 0.769 -3.690 1.00 0.00 C ATOM 357 CD2 PHE A 24 -10.210 -0.694 -5.133 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.056 -0.161 -2.699 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.261 -1.634 -4.128 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.685 -1.367 -2.913 1.00 0.00 C ATOM 0 H PHE A 24 -11.193 2.910 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.323 3.462 -6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.657 1.107 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.521 2.028 -6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.512 1.712 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.665 -0.906 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.601 0.047 -1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.754 -2.580 -4.297 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.725 -2.103 -2.123 1.00 0.00 H new ATOM 370 N ASP A 25 -12.295 1.700 -7.205 1.00 0.00 N ATOM 371 CA ASP A 25 -13.636 1.193 -7.428 1.00 0.00 C ATOM 372 C ASP A 25 -13.585 -0.235 -7.905 1.00 0.00 C ATOM 373 O ASP A 25 -12.813 -0.567 -8.816 1.00 0.00 O ATOM 374 CB ASP A 25 -14.422 2.072 -8.404 1.00 0.00 C ATOM 375 CG ASP A 25 -15.853 1.605 -8.582 1.00 0.00 C ATOM 376 OD1 ASP A 25 -16.587 1.497 -7.572 1.00 0.00 O ATOM 377 OD2 ASP A 25 -16.285 1.399 -9.726 1.00 0.00 O ATOM 0 H ASP A 25 -11.660 1.614 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.165 1.222 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.421 3.101 -8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.920 2.073 -9.372 1.00 0.00 H new ATOM 382 N GLY A 26 -14.362 -1.074 -7.275 1.00 0.00 N ATOM 383 CA GLY A 26 -14.388 -2.468 -7.603 1.00 0.00 C ATOM 384 C GLY A 26 -14.394 -3.301 -6.350 1.00 0.00 C ATOM 385 O GLY A 26 -15.338 -3.234 -5.555 1.00 0.00 O ATOM 0 H GLY A 26 -14.994 -0.807 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.272 -2.691 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.520 -2.721 -8.212 1.00 0.00 H new ATOM 389 N LEU A 27 -13.350 -4.048 -6.134 1.00 0.00 N ATOM 390 CA LEU A 27 -13.264 -4.876 -4.949 1.00 0.00 C ATOM 391 C LEU A 27 -11.843 -4.847 -4.420 1.00 0.00 C ATOM 392 O LEU A 27 -11.618 -4.649 -3.215 1.00 0.00 O ATOM 393 CB LEU A 27 -13.746 -6.327 -5.272 1.00 0.00 C ATOM 394 CG LEU A 27 -14.033 -7.314 -4.093 1.00 0.00 C ATOM 395 CD1 LEU A 27 -12.780 -7.749 -3.354 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.039 -6.717 -3.120 1.00 0.00 C ATOM 0 H LEU A 27 -12.544 -4.106 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.920 -4.487 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.659 -6.246 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.993 -6.789 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.456 -8.211 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.051 -8.432 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.106 -8.253 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.282 -6.874 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.223 -7.421 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.642 -5.788 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.974 -6.513 -3.642 1.00 0.00 H new ATOM 408 N HIS A 28 -10.897 -5.000 -5.316 1.00 0.00 N ATOM 409 CA HIS A 28 -9.493 -5.051 -4.957 1.00 0.00 C ATOM 410 C HIS A 28 -8.609 -4.348 -5.934 1.00 0.00 C ATOM 411 O HIS A 28 -8.981 -4.136 -7.088 1.00 0.00 O ATOM 412 CB HIS A 28 -8.997 -6.485 -4.710 1.00 0.00 C ATOM 413 CG HIS A 28 -9.509 -7.538 -5.643 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.028 -8.720 -5.192 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.576 -7.582 -6.994 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.406 -9.440 -6.245 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.153 -8.792 -7.377 1.00 0.00 N ATOM 0 H HIS A 28 -11.075 -5.093 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.425 -4.508 -4.014 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.908 -6.483 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.267 -6.769 -3.693 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.238 -6.807 -7.666 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.858 -10.419 -6.187 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.341 -9.113 -8.327 1.00 0.00 H new ATOM 425 N ILE A 29 -7.448 -3.987 -5.456 1.00 0.00 N ATOM 426 CA ILE A 29 -6.468 -3.308 -6.233 1.00 0.00 C ATOM 427 C ILE A 29 -5.137 -4.067 -6.191 1.00 0.00 C ATOM 428 O ILE A 29 -4.679 -4.468 -5.121 1.00 0.00 O ATOM 429 CB ILE A 29 -6.297 -1.824 -5.760 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.159 -1.146 -6.507 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.067 -1.738 -4.249 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.157 0.356 -6.392 1.00 0.00 C ATOM 0 H ILE A 29 -7.159 -4.165 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.809 -3.278 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.225 -1.301 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.211 -1.530 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.217 -1.419 -7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.953 -0.694 -3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.920 -2.170 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.164 -2.289 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.315 0.763 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.088 0.753 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.067 0.641 -5.344 1.00 0.00 H new ATOM 444 N SER A 30 -4.568 -4.310 -7.348 1.00 0.00 N ATOM 445 CA SER A 30 -3.291 -4.989 -7.471 1.00 0.00 C ATOM 446 C SER A 30 -2.173 -4.154 -6.823 1.00 0.00 C ATOM 447 O SER A 30 -2.237 -2.924 -6.805 1.00 0.00 O ATOM 448 CB SER A 30 -2.989 -5.236 -8.937 1.00 0.00 C ATOM 449 OG SER A 30 -4.082 -5.885 -9.586 1.00 0.00 O ATOM 0 H SER A 30 -4.979 -4.041 -8.242 1.00 0.00 H new ATOM 0 HA SER A 30 -3.343 -5.946 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.779 -4.288 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.092 -5.849 -9.028 1.00 0.00 H new ATOM 0 HG SER A 30 -3.862 -6.031 -10.530 1.00 0.00 H new ATOM 455 N LEU A 31 -1.170 -4.829 -6.309 1.00 0.00 N ATOM 456 CA LEU A 31 -0.095 -4.235 -5.554 1.00 0.00 C ATOM 457 C LEU A 31 0.665 -3.156 -6.310 1.00 0.00 C ATOM 458 O LEU A 31 0.948 -2.111 -5.739 1.00 0.00 O ATOM 459 CB LEU A 31 0.853 -5.307 -5.011 1.00 0.00 C ATOM 460 CG LEU A 31 1.978 -4.804 -4.114 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.411 -4.054 -2.938 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.822 -5.950 -3.625 1.00 0.00 C ATOM 0 H LEU A 31 -1.079 -5.840 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.566 -3.726 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.266 -6.035 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.296 -5.835 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 31 2.605 -4.132 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.225 -3.700 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.832 -3.202 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.765 -4.716 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.619 -5.569 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.201 -6.642 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.258 -6.471 -4.478 1.00 0.00 H new ATOM 474 N CYS A 32 1.004 -3.393 -7.571 1.00 0.00 N ATOM 475 CA CYS A 32 1.685 -2.363 -8.362 1.00 0.00 C ATOM 476 C CYS A 32 0.843 -1.081 -8.388 1.00 0.00 C ATOM 477 O CYS A 32 1.342 0.008 -8.099 1.00 0.00 O ATOM 478 CB CYS A 32 1.944 -2.848 -9.795 1.00 0.00 C ATOM 479 SG CYS A 32 2.834 -1.665 -10.834 1.00 0.00 S ATOM 0 H CYS A 32 0.826 -4.268 -8.064 1.00 0.00 H new ATOM 0 HA CYS A 32 2.647 -2.155 -7.894 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.513 -3.777 -9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.989 -3.080 -10.266 1.00 0.00 H new ATOM 0 HG CYS A 32 3.003 -2.170 -12.020 1.00 0.00 H new ATOM 485 N ASP A 33 -0.441 -1.245 -8.622 1.00 0.00 N ATOM 486 CA ASP A 33 -1.389 -0.136 -8.685 1.00 0.00 C ATOM 487 C ASP A 33 -1.502 0.540 -7.334 1.00 0.00 C ATOM 488 O ASP A 33 -1.517 1.777 -7.231 1.00 0.00 O ATOM 489 CB ASP A 33 -2.765 -0.658 -9.105 1.00 0.00 C ATOM 490 CG ASP A 33 -2.812 -1.176 -10.508 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.042 -0.393 -11.432 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.667 -2.380 -10.711 1.00 0.00 O ATOM 0 H ASP A 33 -0.868 -2.158 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.030 0.588 -9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.065 -1.454 -8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.495 0.144 -8.999 1.00 0.00 H new ATOM 497 N LEU A 34 -1.553 -0.283 -6.312 1.00 0.00 N ATOM 498 CA LEU A 34 -1.687 0.136 -4.927 1.00 0.00 C ATOM 499 C LEU A 34 -0.474 0.975 -4.506 1.00 0.00 C ATOM 500 O LEU A 34 -0.623 2.082 -3.973 1.00 0.00 O ATOM 501 CB LEU A 34 -1.865 -1.165 -4.061 1.00 0.00 C ATOM 502 CG LEU A 34 -1.953 -1.105 -2.508 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.619 -0.792 -1.860 1.00 0.00 C ATOM 504 CD2 LEU A 34 -3.022 -0.139 -2.035 1.00 0.00 C ATOM 0 H LEU A 34 -1.501 -1.296 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.556 0.778 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.773 -1.656 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.032 -1.824 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.241 -2.106 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.739 -0.762 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.104 -1.564 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.262 0.176 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.048 -0.130 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.795 0.862 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.993 -0.454 -2.418 1.00 0.00 H new ATOM 516 N LYS A 35 0.707 0.481 -4.821 1.00 0.00 N ATOM 517 CA LYS A 35 1.942 1.148 -4.459 1.00 0.00 C ATOM 518 C LYS A 35 2.099 2.456 -5.205 1.00 0.00 C ATOM 519 O LYS A 35 2.479 3.454 -4.619 1.00 0.00 O ATOM 520 CB LYS A 35 3.164 0.261 -4.701 1.00 0.00 C ATOM 521 CG LYS A 35 3.183 -1.017 -3.876 1.00 0.00 C ATOM 522 CD LYS A 35 4.477 -1.813 -4.065 1.00 0.00 C ATOM 523 CE LYS A 35 4.739 -2.272 -5.482 1.00 0.00 C ATOM 524 NZ LYS A 35 6.057 -2.951 -5.581 1.00 0.00 N ATOM 0 H LYS A 35 0.838 -0.391 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 35 1.882 1.357 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.204 -0.002 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.064 0.835 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.063 -0.768 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.333 -1.639 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.316 -1.199 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.447 -2.687 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.949 -2.952 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.714 -1.416 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.450 -2.808 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.707 -2.552 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.937 -3.969 -5.405 1.00 0.00 H new ATOM 538 N LYS A 36 1.765 2.459 -6.491 1.00 0.00 N ATOM 539 CA LYS A 36 1.879 3.667 -7.316 1.00 0.00 C ATOM 540 C LYS A 36 0.987 4.798 -6.804 1.00 0.00 C ATOM 541 O LYS A 36 1.371 5.983 -6.864 1.00 0.00 O ATOM 542 CB LYS A 36 1.601 3.378 -8.798 1.00 0.00 C ATOM 543 CG LYS A 36 2.828 2.983 -9.652 1.00 0.00 C ATOM 544 CD LYS A 36 3.608 1.802 -9.086 1.00 0.00 C ATOM 545 CE LYS A 36 4.732 1.350 -10.019 1.00 0.00 C ATOM 546 NZ LYS A 36 5.744 2.410 -10.275 1.00 0.00 N ATOM 0 H LYS A 36 1.413 1.641 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 36 2.913 4.001 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.866 2.575 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.144 4.263 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.495 2.738 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.494 3.842 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.030 2.077 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.927 0.969 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.227 0.481 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.301 1.031 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.505 2.027 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.292 3.211 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.143 2.734 -9.371 1.00 0.00 H new ATOM 560 N GLN A 37 -0.179 4.451 -6.282 1.00 0.00 N ATOM 561 CA GLN A 37 -1.063 5.454 -5.707 1.00 0.00 C ATOM 562 C GLN A 37 -0.470 6.016 -4.426 1.00 0.00 C ATOM 563 O GLN A 37 -0.344 7.231 -4.262 1.00 0.00 O ATOM 564 CB GLN A 37 -2.462 4.898 -5.429 1.00 0.00 C ATOM 565 CG GLN A 37 -3.253 4.549 -6.674 1.00 0.00 C ATOM 566 CD GLN A 37 -4.683 4.131 -6.384 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.911 3.505 -5.259 1.00 0.00 O flip ATOM 568 NE2 GLN A 37 -5.576 4.360 -7.186 1.00 0.00 N flip ATOM 0 H GLN A 37 -0.533 3.495 -6.244 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.161 6.252 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.369 4.006 -4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.023 5.631 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.263 5.410 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.747 3.741 -7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.367 4.851 -8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.530 4.061 -6.986 1.00 0.00 H new ATOM 577 N ILE A 38 -0.050 5.127 -3.560 1.00 0.00 N ATOM 578 CA ILE A 38 0.452 5.499 -2.246 1.00 0.00 C ATOM 579 C ILE A 38 1.804 6.223 -2.322 1.00 0.00 C ATOM 580 O ILE A 38 1.996 7.248 -1.681 1.00 0.00 O ATOM 581 CB ILE A 38 0.538 4.264 -1.312 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.862 3.664 -1.112 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.164 4.633 0.029 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.880 2.415 -0.265 1.00 0.00 C ATOM 0 H ILE A 38 -0.044 4.123 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.264 6.203 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 38 1.179 3.518 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.504 4.413 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.291 3.435 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.212 3.748 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.171 5.018 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.557 5.397 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.904 2.054 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.266 1.647 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.483 2.641 0.725 1.00 0.00 H new ATOM 596 N MET A 39 2.716 5.720 -3.139 1.00 0.00 N ATOM 597 CA MET A 39 4.052 6.323 -3.254 1.00 0.00 C ATOM 598 C MET A 39 3.974 7.734 -3.785 1.00 0.00 C ATOM 599 O MET A 39 4.698 8.607 -3.326 1.00 0.00 O ATOM 600 CB MET A 39 5.028 5.480 -4.089 1.00 0.00 C ATOM 601 CG MET A 39 5.377 4.140 -3.466 1.00 0.00 C ATOM 602 SD MET A 39 6.692 3.259 -4.332 1.00 0.00 S ATOM 603 CE MET A 39 5.962 3.059 -5.947 1.00 0.00 C ATOM 0 H MET A 39 2.566 4.903 -3.731 1.00 0.00 H new ATOM 0 HA MET A 39 4.455 6.353 -2.242 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.593 5.309 -5.074 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.946 6.049 -4.240 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.678 4.298 -2.430 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.484 3.515 -3.446 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.545 2.340 -6.523 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.940 2.696 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.955 4.018 -6.464 1.00 0.00 H new ATOM 613 N GLY A 40 3.065 7.961 -4.709 1.00 0.00 N ATOM 614 CA GLY A 40 2.870 9.290 -5.237 1.00 0.00 C ATOM 615 C GLY A 40 2.292 10.209 -4.181 1.00 0.00 C ATOM 616 O GLY A 40 2.740 11.340 -4.013 1.00 0.00 O ATOM 0 H GLY A 40 2.455 7.247 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.821 9.688 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.201 9.250 -6.097 1.00 0.00 H new ATOM 620 N ARG A 41 1.342 9.685 -3.425 1.00 0.00 N ATOM 621 CA ARG A 41 0.656 10.432 -2.377 1.00 0.00 C ATOM 622 C ARG A 41 1.590 10.791 -1.220 1.00 0.00 C ATOM 623 O ARG A 41 1.522 11.887 -0.670 1.00 0.00 O ATOM 624 CB ARG A 41 -0.545 9.641 -1.849 1.00 0.00 C ATOM 625 CG ARG A 41 -1.250 10.323 -0.679 1.00 0.00 C ATOM 626 CD ARG A 41 -2.474 9.561 -0.220 1.00 0.00 C ATOM 627 NE ARG A 41 -3.497 9.459 -1.272 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.712 8.924 -1.114 1.00 0.00 C ATOM 629 NH1 ARG A 41 -5.137 8.570 0.099 1.00 0.00 N ATOM 630 NH2 ARG A 41 -5.513 8.794 -2.160 1.00 0.00 N ATOM 0 H ARG A 41 1.020 8.722 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 41 0.308 11.363 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.259 9.495 -2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.211 8.652 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.554 10.422 0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.542 11.331 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.179 8.560 0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.901 10.056 0.652 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.261 9.825 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.535 8.707 0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.065 8.162 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.202 9.101 -3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.441 8.386 -2.044 1.00 0.00 H new ATOM 644 N GLU A 42 2.472 9.889 -0.880 1.00 0.00 N ATOM 645 CA GLU A 42 3.347 10.086 0.261 1.00 0.00 C ATOM 646 C GLU A 42 4.732 10.503 -0.179 1.00 0.00 C ATOM 647 O GLU A 42 5.676 10.525 0.623 1.00 0.00 O ATOM 648 CB GLU A 42 3.382 8.841 1.125 1.00 0.00 C ATOM 649 CG GLU A 42 2.005 8.375 1.599 1.00 0.00 C ATOM 650 CD GLU A 42 1.358 9.336 2.566 1.00 0.00 C ATOM 651 OE1 GLU A 42 0.891 10.423 2.156 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.338 9.052 3.760 1.00 0.00 O ATOM 0 H GLU A 42 2.609 9.007 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 42 2.946 10.899 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.854 8.035 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.009 9.033 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.354 8.245 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.102 7.399 2.075 1.00 0.00 H new ATOM 659 N LYS A 43 4.830 10.849 -1.457 1.00 0.00 N ATOM 660 CA LYS A 43 6.024 11.436 -2.049 1.00 0.00 C ATOM 661 C LYS A 43 7.254 10.526 -1.917 1.00 0.00 C ATOM 662 O LYS A 43 8.378 11.010 -1.741 1.00 0.00 O ATOM 663 CB LYS A 43 6.301 12.834 -1.429 1.00 0.00 C ATOM 664 CG LYS A 43 5.253 13.929 -1.742 1.00 0.00 C ATOM 665 CD LYS A 43 3.906 13.775 -1.037 1.00 0.00 C ATOM 666 CE LYS A 43 4.003 13.869 0.482 1.00 0.00 C ATOM 667 NZ LYS A 43 2.678 13.701 1.110 1.00 0.00 N ATOM 0 H LYS A 43 4.067 10.727 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 43 5.833 11.551 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.371 12.723 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.274 13.179 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.675 14.898 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.080 13.944 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.225 14.545 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.471 12.813 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.685 13.104 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.423 14.835 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.791 13.271 2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.220 14.629 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.088 13.084 0.516 1.00 0.00 H new ATOM 681 N LEU A 44 7.051 9.229 -2.067 1.00 0.00 N ATOM 682 CA LEU A 44 8.140 8.279 -1.928 1.00 0.00 C ATOM 683 C LEU A 44 9.098 8.303 -3.090 1.00 0.00 C ATOM 684 O LEU A 44 8.733 8.662 -4.221 1.00 0.00 O ATOM 685 CB LEU A 44 7.685 6.835 -1.701 1.00 0.00 C ATOM 686 CG LEU A 44 7.403 6.421 -0.265 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.151 7.063 0.259 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.333 4.916 -0.155 1.00 0.00 C ATOM 0 H LEU A 44 6.146 8.811 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 44 8.654 8.620 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.781 6.668 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.451 6.171 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 44 8.228 6.773 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.982 6.744 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.258 8.147 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.303 6.764 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.131 4.636 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.535 4.541 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.283 4.484 -0.469 1.00 0.00 H new ATOM 700 N LYS A 45 10.323 7.928 -2.807 1.00 0.00 N ATOM 701 CA LYS A 45 11.326 7.788 -3.821 1.00 0.00 C ATOM 702 C LYS A 45 11.200 6.401 -4.475 1.00 0.00 C ATOM 703 O LYS A 45 11.671 5.381 -3.951 1.00 0.00 O ATOM 704 CB LYS A 45 12.729 8.043 -3.231 1.00 0.00 C ATOM 705 CG LYS A 45 13.043 7.254 -1.963 1.00 0.00 C ATOM 706 CD LYS A 45 14.445 7.533 -1.443 1.00 0.00 C ATOM 707 CE LYS A 45 14.636 8.971 -0.975 1.00 0.00 C ATOM 708 NZ LYS A 45 16.024 9.206 -0.526 1.00 0.00 N ATOM 0 H LYS A 45 10.647 7.712 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 45 11.177 8.536 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.475 7.800 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.829 9.107 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.315 7.505 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.938 6.188 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.660 6.857 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.168 7.314 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.393 9.656 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.946 9.186 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.125 10.193 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.246 8.568 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.679 9.023 -1.313 1.00 0.00 H new ATOM 722 N ALA A 46 10.583 6.384 -5.632 1.00 0.00 N ATOM 723 CA ALA A 46 10.257 5.151 -6.331 1.00 0.00 C ATOM 724 C ALA A 46 11.430 4.625 -7.147 1.00 0.00 C ATOM 725 O ALA A 46 11.379 3.526 -7.688 1.00 0.00 O ATOM 726 CB ALA A 46 9.036 5.367 -7.214 1.00 0.00 C ATOM 0 H ALA A 46 10.288 7.228 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 46 10.030 4.392 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.796 4.441 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.189 5.666 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.248 6.149 -7.943 1.00 0.00 H new ATOM 732 N ALA A 47 12.474 5.413 -7.245 1.00 0.00 N ATOM 733 CA ALA A 47 13.665 5.008 -7.973 1.00 0.00 C ATOM 734 C ALA A 47 14.739 4.558 -7.001 1.00 0.00 C ATOM 735 O ALA A 47 15.869 4.267 -7.391 1.00 0.00 O ATOM 736 CB ALA A 47 14.176 6.147 -8.845 1.00 0.00 C ATOM 0 H ALA A 47 12.528 6.343 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 47 13.408 4.173 -8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.068 5.823 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.405 6.431 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.421 7.004 -8.217 1.00 0.00 H new ATOM 742 N ASP A 48 14.375 4.481 -5.744 1.00 0.00 N ATOM 743 CA ASP A 48 15.318 4.097 -4.706 1.00 0.00 C ATOM 744 C ASP A 48 14.738 3.012 -3.848 1.00 0.00 C ATOM 745 O ASP A 48 15.420 2.065 -3.467 1.00 0.00 O ATOM 746 CB ASP A 48 15.660 5.288 -3.821 1.00 0.00 C ATOM 747 CG ASP A 48 16.677 4.956 -2.731 1.00 0.00 C ATOM 748 OD1 ASP A 48 16.296 4.452 -1.662 1.00 0.00 O ATOM 749 OD2 ASP A 48 17.887 5.211 -2.925 1.00 0.00 O ATOM 0 H ASP A 48 13.432 4.678 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 48 16.222 3.737 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.053 6.093 -4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.747 5.661 -3.356 1.00 0.00 H new ATOM 754 N CYS A 49 13.491 3.131 -3.540 1.00 0.00 N ATOM 755 CA CYS A 49 12.874 2.195 -2.672 1.00 0.00 C ATOM 756 C CYS A 49 11.649 1.574 -3.315 1.00 0.00 C ATOM 757 O CYS A 49 11.212 1.978 -4.402 1.00 0.00 O ATOM 758 CB CYS A 49 12.481 2.881 -1.368 1.00 0.00 C ATOM 759 SG CYS A 49 13.839 3.569 -0.397 1.00 0.00 S ATOM 0 H CYS A 49 12.879 3.872 -3.880 1.00 0.00 H new ATOM 0 HA CYS A 49 13.590 1.399 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.782 3.685 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.946 2.161 -0.749 1.00 0.00 H new ATOM 0 HG CYS A 49 14.666 4.189 -1.186 1.00 0.00 H new ATOM 765 N ASP A 50 11.119 0.600 -2.645 1.00 0.00 N ATOM 766 CA ASP A 50 9.930 -0.078 -3.047 1.00 0.00 C ATOM 767 C ASP A 50 8.987 -0.025 -1.886 1.00 0.00 C ATOM 768 O ASP A 50 9.396 0.300 -0.754 1.00 0.00 O ATOM 769 CB ASP A 50 10.225 -1.536 -3.402 1.00 0.00 C ATOM 770 CG ASP A 50 9.056 -2.235 -4.083 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.150 -1.542 -4.622 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.019 -3.475 -4.107 1.00 0.00 O ATOM 0 H ASP A 50 11.516 0.244 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 50 9.505 0.396 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.095 -1.575 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.486 -2.079 -2.494 1.00 0.00 H new ATOM 777 N LEU A 51 7.780 -0.341 -2.119 1.00 0.00 N ATOM 778 CA LEU A 51 6.808 -0.271 -1.109 1.00 0.00 C ATOM 779 C LEU A 51 6.372 -1.685 -0.751 1.00 0.00 C ATOM 780 O LEU A 51 5.889 -2.421 -1.584 1.00 0.00 O ATOM 781 CB LEU A 51 5.649 0.607 -1.596 1.00 0.00 C ATOM 782 CG LEU A 51 4.666 1.068 -0.556 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.397 1.837 0.516 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.611 1.948 -1.182 1.00 0.00 C ATOM 0 H LEU A 51 7.433 -0.659 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 51 7.203 0.188 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.070 1.488 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.102 0.055 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 51 4.179 0.197 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.687 2.173 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.144 1.193 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.890 2.702 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.907 2.273 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.085 2.820 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.078 1.387 -1.950 1.00 0.00 H new ATOM 796 N GLN A 52 6.590 -2.065 0.462 1.00 0.00 N ATOM 797 CA GLN A 52 6.252 -3.384 0.899 1.00 0.00 C ATOM 798 C GLN A 52 5.009 -3.289 1.731 1.00 0.00 C ATOM 799 O GLN A 52 4.941 -2.508 2.684 1.00 0.00 O ATOM 800 CB GLN A 52 7.376 -3.978 1.722 1.00 0.00 C ATOM 801 CG GLN A 52 7.407 -5.502 1.750 1.00 0.00 C ATOM 802 CD GLN A 52 7.727 -6.125 0.380 1.00 0.00 C ATOM 803 OE1 GLN A 52 7.404 -5.583 -0.680 1.00 0.00 O ATOM 804 NE2 GLN A 52 8.385 -7.251 0.395 1.00 0.00 N ATOM 0 H GLN A 52 7.007 -1.474 1.181 1.00 0.00 H new ATOM 0 HA GLN A 52 6.090 -4.030 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.326 -3.616 1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.293 -3.611 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.152 -5.831 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.442 -5.873 2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.641 -7.680 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.644 -7.702 -0.482 1.00 0.00 H new ATOM 813 N ILE A 53 4.033 -4.040 1.385 1.00 0.00 N ATOM 814 CA ILE A 53 2.782 -3.960 2.062 1.00 0.00 C ATOM 815 C ILE A 53 2.606 -5.215 2.895 1.00 0.00 C ATOM 816 O ILE A 53 2.950 -6.309 2.462 1.00 0.00 O ATOM 817 CB ILE A 53 1.622 -3.798 1.041 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.936 -2.678 0.034 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.294 -3.514 1.732 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.147 -1.305 0.609 1.00 0.00 C ATOM 0 H ILE A 53 4.071 -4.725 0.631 1.00 0.00 H new ATOM 0 HA ILE A 53 2.765 -3.087 2.715 1.00 0.00 H new ATOM 0 HB ILE A 53 1.530 -4.744 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.832 -2.958 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.119 -2.626 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.491 -3.408 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.048 -4.339 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.373 -2.592 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.361 -0.602 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.247 -0.989 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.986 -1.327 1.304 1.00 0.00 H new ATOM 832 N THR A 54 2.178 -5.056 4.095 1.00 0.00 N ATOM 833 CA THR A 54 1.945 -6.167 4.970 1.00 0.00 C ATOM 834 C THR A 54 0.533 -6.066 5.516 1.00 0.00 C ATOM 835 O THR A 54 0.090 -4.996 5.829 1.00 0.00 O ATOM 836 CB THR A 54 2.966 -6.134 6.113 1.00 0.00 C ATOM 837 OG1 THR A 54 4.285 -6.061 5.542 1.00 0.00 O ATOM 838 CG2 THR A 54 2.847 -7.367 7.002 1.00 0.00 C ATOM 0 H THR A 54 1.975 -4.146 4.509 1.00 0.00 H new ATOM 0 HA THR A 54 2.056 -7.108 4.431 1.00 0.00 H new ATOM 0 HB THR A 54 2.773 -5.262 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.951 -6.037 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.585 -7.311 7.802 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.847 -7.409 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.024 -8.263 6.407 1.00 0.00 H new ATOM 846 N ASN A 55 -0.182 -7.155 5.563 1.00 0.00 N ATOM 847 CA ASN A 55 -1.546 -7.136 6.075 1.00 0.00 C ATOM 848 C ASN A 55 -1.550 -6.774 7.560 1.00 0.00 C ATOM 849 O ASN A 55 -0.760 -7.309 8.329 1.00 0.00 O ATOM 850 CB ASN A 55 -2.197 -8.481 5.886 1.00 0.00 C ATOM 851 CG ASN A 55 -3.673 -8.407 6.032 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.196 -8.471 7.124 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.354 -8.315 4.961 1.00 0.00 N ATOM 0 H ASN A 55 0.146 -8.071 5.256 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.108 -6.385 5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.949 -8.869 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.795 -9.185 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.373 -8.293 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.881 -8.263 4.059 1.00 0.00 H new ATOM 860 N ALA A 56 -2.446 -5.886 7.966 1.00 0.00 N ATOM 861 CA ALA A 56 -2.502 -5.443 9.357 1.00 0.00 C ATOM 862 C ALA A 56 -3.110 -6.510 10.235 1.00 0.00 C ATOM 863 O ALA A 56 -2.873 -6.556 11.430 1.00 0.00 O ATOM 864 CB ALA A 56 -3.306 -4.158 9.485 1.00 0.00 C ATOM 0 H ALA A 56 -3.143 -5.458 7.357 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.480 -5.254 9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.333 -3.848 10.530 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.839 -3.376 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.323 -4.328 9.130 1.00 0.00 H new ATOM 870 N GLN A 57 -3.876 -7.367 9.637 1.00 0.00 N ATOM 871 CA GLN A 57 -4.568 -8.400 10.361 1.00 0.00 C ATOM 872 C GLN A 57 -3.771 -9.696 10.351 1.00 0.00 C ATOM 873 O GLN A 57 -3.417 -10.221 11.395 1.00 0.00 O ATOM 874 CB GLN A 57 -5.949 -8.634 9.734 1.00 0.00 C ATOM 875 CG GLN A 57 -6.825 -7.387 9.639 1.00 0.00 C ATOM 876 CD GLN A 57 -7.222 -6.840 10.988 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.247 -7.219 11.537 1.00 0.00 O ATOM 878 NE2 GLN A 57 -6.431 -5.958 11.530 1.00 0.00 N ATOM 0 H GLN A 57 -4.043 -7.375 8.631 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.686 -8.077 11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.814 -9.044 8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.476 -9.388 10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.291 -6.616 9.084 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.724 -7.624 9.070 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.584 -5.665 11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.659 -5.560 12.441 1.00 0.00 H new ATOM 887 N THR A 58 -3.445 -10.170 9.174 1.00 0.00 N ATOM 888 CA THR A 58 -2.845 -11.476 9.029 1.00 0.00 C ATOM 889 C THR A 58 -1.321 -11.405 9.029 1.00 0.00 C ATOM 890 O THR A 58 -0.644 -12.421 9.224 1.00 0.00 O ATOM 891 CB THR A 58 -3.320 -12.136 7.712 1.00 0.00 C ATOM 892 OG1 THR A 58 -2.767 -11.432 6.597 1.00 0.00 O ATOM 893 CG2 THR A 58 -4.823 -12.041 7.595 1.00 0.00 C ATOM 0 H THR A 58 -3.586 -9.669 8.297 1.00 0.00 H new ATOM 0 HA THR A 58 -3.160 -12.073 9.884 1.00 0.00 H new ATOM 0 HB THR A 58 -3.000 -13.178 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.067 -11.852 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.146 -12.508 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.287 -12.553 8.438 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.123 -10.993 7.597 1.00 0.00 H new ATOM 901 N LYS A 59 -0.787 -10.193 8.829 1.00 0.00 N ATOM 902 CA LYS A 59 0.650 -9.956 8.688 1.00 0.00 C ATOM 903 C LYS A 59 1.232 -10.630 7.454 1.00 0.00 C ATOM 904 O LYS A 59 2.445 -10.831 7.345 1.00 0.00 O ATOM 905 CB LYS A 59 1.443 -10.275 9.959 1.00 0.00 C ATOM 906 CG LYS A 59 1.403 -9.178 11.019 1.00 0.00 C ATOM 907 CD LYS A 59 0.025 -8.926 11.607 1.00 0.00 C ATOM 908 CE LYS A 59 0.087 -7.777 12.598 1.00 0.00 C ATOM 909 NZ LYS A 59 -1.203 -7.553 13.293 1.00 0.00 N ATOM 0 H LYS A 59 -1.348 -9.344 8.760 1.00 0.00 H new ATOM 0 HA LYS A 59 0.758 -8.882 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.055 -11.197 10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.482 -10.463 9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.086 -9.444 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.773 -8.251 10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.682 -8.693 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.338 -9.826 12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.863 -7.980 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.376 -6.866 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.024 -7.170 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.777 -6.877 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.715 -8.455 13.374 1.00 0.00 H new ATOM 923 N GLU A 60 0.363 -10.925 6.505 1.00 0.00 N ATOM 924 CA GLU A 60 0.769 -11.483 5.239 1.00 0.00 C ATOM 925 C GLU A 60 1.457 -10.389 4.454 1.00 0.00 C ATOM 926 O GLU A 60 0.856 -9.338 4.192 1.00 0.00 O ATOM 927 CB GLU A 60 -0.466 -11.953 4.481 1.00 0.00 C ATOM 928 CG GLU A 60 -0.213 -12.623 3.138 1.00 0.00 C ATOM 929 CD GLU A 60 -1.504 -13.061 2.480 1.00 0.00 C ATOM 930 OE1 GLU A 60 -2.113 -12.261 1.735 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.955 -14.204 2.715 1.00 0.00 O ATOM 0 H GLU A 60 -0.643 -10.783 6.595 1.00 0.00 H new ATOM 0 HA GLU A 60 1.441 -12.329 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.013 -12.651 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.116 -11.094 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.315 -11.932 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.436 -13.488 3.279 1.00 0.00 H new ATOM 938 N GLU A 61 2.703 -10.584 4.150 1.00 0.00 N ATOM 939 CA GLU A 61 3.415 -9.652 3.370 1.00 0.00 C ATOM 940 C GLU A 61 3.122 -9.861 1.928 1.00 0.00 C ATOM 941 O GLU A 61 3.029 -11.001 1.448 1.00 0.00 O ATOM 942 CB GLU A 61 4.897 -9.755 3.597 1.00 0.00 C ATOM 943 CG GLU A 61 5.361 -9.153 4.887 1.00 0.00 C ATOM 944 CD GLU A 61 6.856 -9.178 5.022 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.414 -10.214 5.396 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.511 -8.158 4.718 1.00 0.00 O ATOM 0 H GLU A 61 3.245 -11.398 4.441 1.00 0.00 H new ATOM 0 HA GLU A 61 3.091 -8.657 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.185 -10.806 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.415 -9.265 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.010 -8.123 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.914 -9.695 5.720 1.00 0.00 H new ATOM 953 N TYR A 62 2.967 -8.789 1.258 1.00 0.00 N ATOM 954 CA TYR A 62 2.716 -8.797 -0.148 1.00 0.00 C ATOM 955 C TYR A 62 4.019 -8.477 -0.847 1.00 0.00 C ATOM 956 O TYR A 62 4.434 -7.323 -0.919 1.00 0.00 O ATOM 957 CB TYR A 62 1.618 -7.789 -0.515 1.00 0.00 C ATOM 958 CG TYR A 62 0.344 -8.001 0.274 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.551 -8.996 -0.072 1.00 0.00 C ATOM 960 CD2 TYR A 62 0.053 -7.222 1.384 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.697 -9.203 0.658 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.088 -7.427 2.119 1.00 0.00 C ATOM 963 CZ TYR A 62 -1.959 -8.416 1.755 1.00 0.00 C ATOM 964 OH TYR A 62 -3.099 -8.619 2.489 1.00 0.00 O ATOM 0 H TYR A 62 3.010 -7.856 1.668 1.00 0.00 H new ATOM 0 HA TYR A 62 2.356 -9.776 -0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.985 -6.778 -0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.399 -7.868 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.347 -9.620 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.737 -6.439 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.389 -9.981 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.297 -6.810 2.981 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.354 -9.564 2.443 1.00 0.00 H new ATOM 974 N THR A 63 4.694 -9.509 -1.272 1.00 0.00 N ATOM 975 CA THR A 63 5.999 -9.396 -1.876 1.00 0.00 C ATOM 976 C THR A 63 5.914 -9.333 -3.394 1.00 0.00 C ATOM 977 O THR A 63 6.846 -8.874 -4.079 1.00 0.00 O ATOM 978 CB THR A 63 6.854 -10.616 -1.463 1.00 0.00 C ATOM 979 OG1 THR A 63 6.090 -11.844 -1.655 1.00 0.00 O ATOM 980 CG2 THR A 63 7.277 -10.513 -0.002 1.00 0.00 C ATOM 0 H THR A 63 4.351 -10.467 -1.209 1.00 0.00 H new ATOM 0 HA THR A 63 6.456 -8.470 -1.527 1.00 0.00 H new ATOM 0 HB THR A 63 7.747 -10.633 -2.088 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.716 -11.859 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.877 -11.383 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.866 -9.607 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.391 -10.475 0.632 1.00 0.00 H new ATOM 988 N ASP A 64 4.812 -9.785 -3.903 1.00 0.00 N ATOM 989 CA ASP A 64 4.598 -9.917 -5.326 1.00 0.00 C ATOM 990 C ASP A 64 3.798 -8.748 -5.797 1.00 0.00 C ATOM 991 O ASP A 64 2.761 -8.482 -5.246 1.00 0.00 O ATOM 992 CB ASP A 64 3.788 -11.195 -5.597 1.00 0.00 C ATOM 993 CG ASP A 64 4.462 -12.467 -5.116 1.00 0.00 C ATOM 994 OD1 ASP A 64 4.657 -12.642 -3.885 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.759 -13.338 -5.944 1.00 0.00 O ATOM 0 H ASP A 64 4.015 -10.081 -3.339 1.00 0.00 H new ATOM 0 HA ASP A 64 5.557 -9.962 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.816 -11.106 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.604 -11.276 -6.668 1.00 0.00 H new ATOM 1000 N ASP A 65 4.231 -8.061 -6.841 1.00 0.00 N ATOM 1001 CA ASP A 65 3.472 -6.885 -7.324 1.00 0.00 C ATOM 1002 C ASP A 65 2.177 -7.277 -7.989 1.00 0.00 C ATOM 1003 O ASP A 65 1.337 -6.429 -8.291 1.00 0.00 O ATOM 1004 CB ASP A 65 4.281 -5.935 -8.215 1.00 0.00 C ATOM 1005 CG ASP A 65 4.865 -6.589 -9.433 1.00 0.00 C ATOM 1006 OD1 ASP A 65 4.187 -6.678 -10.455 1.00 0.00 O ATOM 1007 OD2 ASP A 65 6.036 -7.008 -9.382 1.00 0.00 O ATOM 0 H ASP A 65 5.078 -8.276 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 65 3.237 -6.321 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.638 -5.113 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.089 -5.501 -7.626 1.00 0.00 H new ATOM 1012 N ASN A 66 2.004 -8.558 -8.173 1.00 0.00 N ATOM 1013 CA ASN A 66 0.783 -9.098 -8.712 1.00 0.00 C ATOM 1014 C ASN A 66 -0.165 -9.484 -7.586 1.00 0.00 C ATOM 1015 O ASN A 66 -1.249 -10.010 -7.832 1.00 0.00 O ATOM 1016 CB ASN A 66 1.064 -10.290 -9.634 1.00 0.00 C ATOM 1017 CG ASN A 66 1.759 -9.881 -10.922 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.113 -9.608 -11.930 1.00 0.00 O ATOM 1019 ND2 ASN A 66 3.060 -9.797 -10.889 1.00 0.00 N ATOM 0 H ASN A 66 2.709 -9.261 -7.952 1.00 0.00 H new ATOM 0 HA ASN A 66 0.303 -8.327 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.683 -11.015 -9.106 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.125 -10.788 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.573 -9.497 -11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.565 -10.032 -10.034 1.00 0.00 H new ATOM 1026 N ALA A 67 0.255 -9.226 -6.334 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.596 -9.454 -5.181 1.00 0.00 C ATOM 1028 C ALA A 67 -1.695 -8.425 -5.201 1.00 0.00 C ATOM 1029 O ALA A 67 -1.492 -7.339 -5.685 1.00 0.00 O ATOM 1030 CB ALA A 67 0.185 -9.368 -3.874 1.00 0.00 C ATOM 0 H ALA A 67 1.180 -8.860 -6.108 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.010 -10.461 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.489 -9.545 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.973 -10.121 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.629 -8.377 -3.780 1.00 0.00 H new ATOM 1036 N LEU A 68 -2.838 -8.763 -4.734 1.00 0.00 N ATOM 1037 CA LEU A 68 -3.955 -7.850 -4.773 1.00 0.00 C ATOM 1038 C LEU A 68 -4.422 -7.511 -3.364 1.00 0.00 C ATOM 1039 O LEU A 68 -4.428 -8.385 -2.480 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.080 -8.454 -5.624 1.00 0.00 C ATOM 1041 CG LEU A 68 -5.786 -9.671 -5.026 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -6.971 -9.244 -4.219 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.165 -10.682 -6.080 1.00 0.00 C ATOM 0 H LEU A 68 -3.042 -9.670 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.645 -6.913 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.825 -7.680 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.666 -8.737 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.082 -10.169 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.462 -10.123 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.644 -8.591 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.672 -8.707 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.664 -11.529 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.838 -10.220 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.267 -11.028 -6.592 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.736 -6.267 -3.117 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.283 -5.900 -1.834 1.00 0.00 C ATOM 1057 C ILE A 69 -6.734 -5.425 -2.002 1.00 0.00 C ATOM 1058 O ILE A 69 -7.002 -4.443 -2.696 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.444 -4.819 -1.045 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.022 -5.310 -0.714 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.155 -4.396 0.241 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.031 -5.230 -1.850 1.00 0.00 C ATOM 0 H ILE A 69 -4.625 -5.497 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.241 -6.802 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.357 -3.956 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.639 -4.725 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.082 -6.345 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.553 -3.651 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.127 -3.969 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.292 -5.266 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.062 -5.599 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.382 -5.839 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.932 -4.194 -2.175 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.685 -6.169 -1.448 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.090 -5.791 -1.447 1.00 0.00 C ATOM 1076 C PRO A 70 -9.412 -4.739 -0.414 1.00 0.00 C ATOM 1077 O PRO A 70 -8.687 -4.565 0.565 1.00 0.00 O ATOM 1078 CB PRO A 70 -9.810 -7.086 -1.100 1.00 0.00 C ATOM 1079 CG PRO A 70 -8.824 -7.862 -0.308 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.468 -7.470 -0.803 1.00 0.00 C ATOM 0 HA PRO A 70 -9.383 -5.357 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.716 -6.894 -0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.110 -7.626 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.925 -7.645 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.986 -8.933 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.751 -7.395 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.073 -8.203 -1.507 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.549 -4.072 -0.601 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.022 -3.052 0.345 1.00 0.00 C ATOM 1090 C LYS A 71 -11.400 -3.676 1.688 1.00 0.00 C ATOM 1091 O LYS A 71 -11.663 -2.992 2.663 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.218 -2.257 -0.217 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.422 -3.095 -0.655 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.638 -2.197 -0.843 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.895 -2.927 -1.289 1.00 0.00 C ATOM 1096 NZ LYS A 71 -15.838 -3.345 -2.709 1.00 0.00 N ATOM 0 H LYS A 71 -11.165 -4.217 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.195 -2.359 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.548 -1.548 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.874 -1.673 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.195 -3.614 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.635 -3.859 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.844 -1.684 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.398 -1.430 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.042 -3.806 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.759 -2.280 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.495 -2.764 -3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.871 -3.219 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.109 -4.346 -2.787 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.417 -4.977 1.710 1.00 0.00 N ATOM 1111 CA ASN A 72 -11.762 -5.740 2.884 1.00 0.00 C ATOM 1112 C ASN A 72 -10.528 -5.983 3.744 1.00 0.00 C ATOM 1113 O ASN A 72 -10.612 -6.570 4.821 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.375 -7.082 2.472 1.00 0.00 C ATOM 1115 CG ASN A 72 -13.497 -6.929 1.467 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -13.266 -6.971 0.250 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.696 -6.738 1.936 1.00 0.00 N ATOM 0 H ASN A 72 -11.188 -5.552 0.900 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.489 -5.173 3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.597 -7.717 2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.754 -7.591 3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.481 -6.617 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.851 -6.709 2.944 1.00 0.00 H new ATOM 1124 N SER A 73 -9.390 -5.541 3.271 1.00 0.00 N ATOM 1125 CA SER A 73 -8.157 -5.743 3.965 1.00 0.00 C ATOM 1126 C SER A 73 -7.559 -4.422 4.432 1.00 0.00 C ATOM 1127 O SER A 73 -7.427 -3.478 3.654 1.00 0.00 O ATOM 1128 CB SER A 73 -7.174 -6.468 3.046 1.00 0.00 C ATOM 1129 OG SER A 73 -7.723 -7.697 2.599 1.00 0.00 O ATOM 0 H SER A 73 -9.299 -5.031 2.392 1.00 0.00 H new ATOM 0 HA SER A 73 -8.353 -6.349 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.935 -5.837 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.240 -6.652 3.577 1.00 0.00 H new ATOM 0 HG SER A 73 -7.029 -8.219 2.145 1.00 0.00 H new ATOM 1135 N SER A 74 -7.283 -4.334 5.709 1.00 0.00 N ATOM 1136 CA SER A 74 -6.549 -3.232 6.254 1.00 0.00 C ATOM 1137 C SER A 74 -5.079 -3.633 6.201 1.00 0.00 C ATOM 1138 O SER A 74 -4.703 -4.702 6.713 1.00 0.00 O ATOM 1139 CB SER A 74 -6.988 -2.995 7.696 1.00 0.00 C ATOM 1140 OG SER A 74 -8.406 -2.857 7.769 1.00 0.00 O ATOM 0 H SER A 74 -7.565 -5.031 6.399 1.00 0.00 H new ATOM 0 HA SER A 74 -6.721 -2.311 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.665 -3.826 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.509 -2.097 8.086 1.00 0.00 H new ATOM 0 HG SER A 74 -8.673 -2.707 8.700 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.265 -2.846 5.562 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.877 -3.205 5.376 1.00 0.00 C ATOM 1148 C VAL A 75 -1.913 -2.142 5.927 1.00 0.00 C ATOM 1149 O VAL A 75 -2.265 -0.982 6.083 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.556 -3.562 3.877 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.274 -4.836 3.461 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.965 -2.447 2.926 1.00 0.00 C ATOM 0 H VAL A 75 -4.532 -1.948 5.158 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.714 -4.108 5.965 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.477 -3.701 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.038 -5.064 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.950 -5.660 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.350 -4.698 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.725 -2.736 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.037 -2.271 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.426 -1.535 3.181 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.728 -2.572 6.261 1.00 0.00 N ATOM 1163 CA ILE A 76 0.323 -1.724 6.763 1.00 0.00 C ATOM 1164 C ILE A 76 1.282 -1.489 5.614 1.00 0.00 C ATOM 1165 O ILE A 76 1.669 -2.432 4.908 1.00 0.00 O ATOM 1166 CB ILE A 76 1.108 -2.391 7.945 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.154 -2.870 9.049 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.141 -1.423 8.536 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.657 -1.769 9.704 1.00 0.00 C ATOM 0 H ILE A 76 -0.456 -3.553 6.190 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.112 -0.800 7.143 1.00 0.00 H new ATOM 0 HB ILE A 76 1.630 -3.257 7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.531 -3.605 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.735 -3.381 9.817 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.671 -1.911 9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.853 -1.135 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.634 -0.534 8.912 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.302 -2.199 10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.016 -1.044 10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.269 -1.271 8.952 1.00 0.00 H new ATOM 1181 N VAL A 77 1.633 -0.272 5.417 1.00 0.00 N ATOM 1182 CA VAL A 77 2.474 0.121 4.334 1.00 0.00 C ATOM 1183 C VAL A 77 3.871 0.445 4.862 1.00 0.00 C ATOM 1184 O VAL A 77 4.029 1.256 5.788 1.00 0.00 O ATOM 1185 CB VAL A 77 1.855 1.348 3.642 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.696 1.816 2.508 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.469 1.013 3.159 1.00 0.00 C ATOM 0 H VAL A 77 1.340 0.501 6.015 1.00 0.00 H new ATOM 0 HA VAL A 77 2.560 -0.690 3.610 1.00 0.00 H new ATOM 0 HB VAL A 77 1.801 2.158 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.229 2.684 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.684 2.090 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.792 1.017 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.034 1.884 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.521 0.187 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.152 0.725 4.007 1.00 0.00 H new ATOM 1197 N ARG A 78 4.861 -0.194 4.302 1.00 0.00 N ATOM 1198 CA ARG A 78 6.217 -0.033 4.728 1.00 0.00 C ATOM 1199 C ARG A 78 7.114 0.214 3.513 1.00 0.00 C ATOM 1200 O ARG A 78 6.870 -0.315 2.453 1.00 0.00 O ATOM 1201 CB ARG A 78 6.639 -1.307 5.456 1.00 0.00 C ATOM 1202 CG ARG A 78 8.062 -1.306 5.934 1.00 0.00 C ATOM 1203 CD ARG A 78 8.430 -2.627 6.535 1.00 0.00 C ATOM 1204 NE ARG A 78 9.811 -2.635 6.970 1.00 0.00 N ATOM 1205 CZ ARG A 78 10.523 -3.724 7.212 1.00 0.00 C ATOM 1206 NH1 ARG A 78 9.992 -4.941 7.020 1.00 0.00 N ATOM 1207 NH2 ARG A 78 11.766 -3.600 7.631 1.00 0.00 N ATOM 0 H ARG A 78 4.744 -0.848 3.528 1.00 0.00 H new ATOM 0 HA ARG A 78 6.310 0.822 5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.981 -1.457 6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.493 -2.157 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.729 -1.084 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.200 -0.516 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.777 -2.839 7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.271 -3.420 5.804 1.00 0.00 H new ATOM 0 HE ARG A 78 10.270 -1.733 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.033 -5.032 6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.547 -5.775 7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.169 -2.673 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.325 -4.431 7.821 1.00 0.00 H new ATOM 1221 N ARG A 79 8.126 1.018 3.667 1.00 0.00 N ATOM 1222 CA ARG A 79 9.040 1.298 2.579 1.00 0.00 C ATOM 1223 C ARG A 79 10.308 0.457 2.732 1.00 0.00 C ATOM 1224 O ARG A 79 10.959 0.484 3.783 1.00 0.00 O ATOM 1225 CB ARG A 79 9.387 2.786 2.544 1.00 0.00 C ATOM 1226 CG ARG A 79 10.392 3.153 1.470 1.00 0.00 C ATOM 1227 CD ARG A 79 10.723 4.632 1.485 1.00 0.00 C ATOM 1228 NE ARG A 79 11.205 5.081 2.794 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.460 5.478 3.071 1.00 0.00 C ATOM 1230 NH1 ARG A 79 13.456 5.286 2.188 1.00 0.00 N ATOM 1231 NH2 ARG A 79 12.725 6.020 4.251 1.00 0.00 N ATOM 0 H ARG A 79 8.347 1.498 4.539 1.00 0.00 H new ATOM 0 HA ARG A 79 8.557 1.036 1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.474 3.359 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.783 3.080 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.305 2.576 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.994 2.880 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.481 4.840 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.836 5.203 1.211 1.00 0.00 H new ATOM 0 HE ARG A 79 10.532 5.094 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.265 4.834 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.403 5.593 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.981 6.133 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.673 6.324 4.471 1.00 0.00 H new ATOM 1245 N ILE A 80 10.655 -0.275 1.698 1.00 0.00 N ATOM 1246 CA ILE A 80 11.823 -1.137 1.725 1.00 0.00 C ATOM 1247 C ILE A 80 12.766 -0.776 0.575 1.00 0.00 C ATOM 1248 O ILE A 80 12.335 -0.189 -0.400 1.00 0.00 O ATOM 1249 CB ILE A 80 11.430 -2.666 1.689 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.666 -3.079 0.408 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.651 -3.072 2.928 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.563 -3.496 -0.740 1.00 0.00 C ATOM 0 H ILE A 80 10.141 -0.293 0.817 1.00 0.00 H new ATOM 0 HA ILE A 80 12.343 -0.972 2.669 1.00 0.00 H new ATOM 0 HB ILE A 80 12.376 -3.208 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.994 -3.903 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.044 -2.245 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.398 -4.130 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.259 -2.894 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.736 -2.483 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.951 -3.770 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.217 -2.667 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.167 -4.351 -0.437 1.00 0.00 H new ATOM 1264 N PRO A 81 14.055 -1.070 0.688 1.00 0.00 N ATOM 1265 CA PRO A 81 15.015 -0.816 -0.392 1.00 0.00 C ATOM 1266 C PRO A 81 14.865 -1.830 -1.548 1.00 0.00 C ATOM 1267 O PRO A 81 14.801 -3.045 -1.315 1.00 0.00 O ATOM 1268 CB PRO A 81 16.366 -1.008 0.306 1.00 0.00 C ATOM 1269 CG PRO A 81 16.074 -1.986 1.392 1.00 0.00 C ATOM 1270 CD PRO A 81 14.711 -1.635 1.889 1.00 0.00 C ATOM 0 HA PRO A 81 14.881 0.165 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.120 -1.389 -0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.746 -0.068 0.707 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.104 -3.009 1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.813 -1.918 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.181 -2.510 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.752 -0.913 2.704 1.00 0.00 H new