USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 644 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 49 ASN : amide:sc= -1.4 K(o=-3.3,f=-4.5) USER MOD Set 1.2: A 67 THR OG1 : rot 135:sc= 0.393 USER MOD Set 1.3: A 69 ASN : amide:sc= -2.26 K(o=-3.3,f=-8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= -0.0837 (180deg=-1.15) USER MOD Single : A 7 SER OG : rot 47:sc= 1.06 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc=-0.00942 X(o=-0.0094,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.56) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 34 ASN : amide:sc= -3.24 K(o=-3.2,f=-2.7) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.394 K(o=-0.39,f=-1.6!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0608 USER MOD Single : A 40 THR OG1 : rot -150:sc= -0.918 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0728 USER MOD Single : A 47 SER OG : rot 159:sc= -0.66 USER MOD Single : A 48 SER OG : rot 180:sc= 0.174 USER MOD Single : A 50 THR OG1 : rot -47:sc= 0.723 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.97 K(o=-3,f=-7.8!) USER MOD Single : A 59 SER OG : rot 91:sc= 0.0246 USER MOD Single : A 61 SER OG : rot 159:sc= -2.11! USER MOD Single : A 62 HIS : no HD1:sc= -0.891 X(o=-0.89,f=-0.81) USER MOD Single : A 66 SER OG : rot -51:sc= 0.195 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= -0.022 (180deg=-0.266) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= 1.97 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.250 4.219 -2.055 1.00 2.22 N ATOM 2 CA MET A 1 12.119 2.833 -2.488 1.00 70.11 C ATOM 3 C MET A 1 11.657 1.945 -1.337 1.00 55.11 C ATOM 4 O MET A 1 12.421 1.152 -0.787 1.00 41.04 O ATOM 5 CB MET A 1 13.451 2.320 -3.040 1.00 12.44 C ATOM 6 CG MET A 1 13.675 2.664 -4.503 1.00 72.34 C ATOM 7 SD MET A 1 14.641 1.413 -5.370 1.00 62.53 S ATOM 8 CE MET A 1 14.275 1.823 -7.075 1.00 22.01 C ATOM 0 H1 MET A 1 11.627 4.822 -2.629 1.00 2.22 H new ATOM 0 H2 MET A 1 11.981 4.297 -1.053 1.00 2.22 H new ATOM 0 H3 MET A 1 13.236 4.528 -2.173 1.00 2.22 H new ATOM 0 HA MET A 1 11.368 2.795 -3.277 1.00 70.11 H new ATOM 0 HB2 MET A 1 14.265 2.738 -2.448 1.00 12.44 H new ATOM 0 HB3 MET A 1 13.492 1.237 -2.919 1.00 12.44 H new ATOM 0 HG2 MET A 1 12.710 2.779 -4.997 1.00 72.34 H new ATOM 0 HG3 MET A 1 14.186 3.624 -4.572 1.00 72.34 H new ATOM 0 HE1 MET A 1 14.802 1.135 -7.736 1.00 22.01 H new ATOM 0 HE2 MET A 1 13.202 1.741 -7.247 1.00 22.01 H new ATOM 0 HE3 MET A 1 14.598 2.843 -7.281 1.00 22.01 H new ATOM 18 N PRO A 2 10.376 2.080 -0.962 1.00 73.44 N ATOM 19 CA PRO A 2 9.783 1.297 0.127 1.00 41.44 C ATOM 20 C PRO A 2 9.624 -0.175 -0.237 1.00 42.12 C ATOM 21 O PRO A 2 9.622 -0.537 -1.413 1.00 55.54 O ATOM 22 CB PRO A 2 8.413 1.950 0.327 1.00 71.41 C ATOM 23 CG PRO A 2 8.092 2.569 -0.989 1.00 70.15 C ATOM 24 CD PRO A 2 9.407 3.005 -1.573 1.00 41.43 C ATOM 0 HA PRO A 2 10.408 1.302 1.020 1.00 41.44 H new ATOM 0 HB2 PRO A 2 7.661 1.214 0.612 1.00 71.41 H new ATOM 0 HB3 PRO A 2 8.443 2.698 1.119 1.00 71.41 H new ATOM 0 HG2 PRO A 2 7.591 1.856 -1.644 1.00 70.15 H new ATOM 0 HG3 PRO A 2 7.419 3.417 -0.867 1.00 70.15 H new ATOM 0 HD2 PRO A 2 9.409 2.928 -2.660 1.00 41.43 H new ATOM 0 HD3 PRO A 2 9.632 4.043 -1.326 1.00 41.43 H new ATOM 32 N ALA A 3 9.492 -1.020 0.780 1.00 54.01 N ATOM 33 CA ALA A 3 9.330 -2.453 0.567 1.00 54.34 C ATOM 34 C ALA A 3 10.644 -3.096 0.137 1.00 52.23 C ATOM 35 O ALA A 3 11.192 -3.941 0.843 1.00 63.10 O ATOM 36 CB ALA A 3 8.248 -2.713 -0.472 1.00 1.24 C ATOM 0 H ALA A 3 9.494 -0.737 1.760 1.00 54.01 H new ATOM 0 HA ALA A 3 9.027 -2.904 1.512 1.00 54.34 H new ATOM 0 HB1 ALA A 3 8.138 -3.787 -0.621 1.00 1.24 H new ATOM 0 HB2 ALA A 3 7.303 -2.296 -0.125 1.00 1.24 H new ATOM 0 HB3 ALA A 3 8.528 -2.243 -1.415 1.00 1.24 H new ATOM 42 N ALA A 4 11.143 -2.690 -1.026 1.00 61.12 N ATOM 43 CA ALA A 4 12.394 -3.226 -1.549 1.00 74.12 C ATOM 44 C ALA A 4 13.573 -2.336 -1.172 1.00 11.11 C ATOM 45 O ALA A 4 13.731 -1.238 -1.707 1.00 43.21 O ATOM 46 CB ALA A 4 12.310 -3.382 -3.060 1.00 71.14 C ATOM 0 H ALA A 4 10.700 -1.992 -1.624 1.00 61.12 H new ATOM 0 HA ALA A 4 12.556 -4.207 -1.102 1.00 74.12 H new ATOM 0 HB1 ALA A 4 13.251 -3.783 -3.437 1.00 71.14 H new ATOM 0 HB2 ALA A 4 11.498 -4.065 -3.311 1.00 71.14 H new ATOM 0 HB3 ALA A 4 12.121 -2.410 -3.516 1.00 71.14 H new ATOM 52 N LEU A 5 14.398 -2.815 -0.247 1.00 74.13 N ATOM 53 CA LEU A 5 15.563 -2.062 0.203 1.00 42.14 C ATOM 54 C LEU A 5 15.141 -0.801 0.950 1.00 45.33 C ATOM 55 O LEU A 5 14.458 0.061 0.398 1.00 54.24 O ATOM 56 CB LEU A 5 16.446 -1.691 -0.990 1.00 4.31 C ATOM 57 CG LEU A 5 17.939 -1.986 -0.838 1.00 31.35 C ATOM 58 CD1 LEU A 5 18.533 -1.162 0.294 1.00 65.21 C ATOM 59 CD2 LEU A 5 18.166 -3.471 -0.595 1.00 24.23 C ATOM 0 H LEU A 5 14.281 -3.722 0.206 1.00 74.13 H new ATOM 0 HA LEU A 5 16.132 -2.693 0.886 1.00 42.14 H new ATOM 0 HB2 LEU A 5 16.079 -2.223 -1.868 1.00 4.31 H new ATOM 0 HB3 LEU A 5 16.325 -0.626 -1.189 1.00 4.31 H new ATOM 0 HG LEU A 5 18.442 -1.708 -1.764 1.00 31.35 H new ATOM 0 HD11 LEU A 5 19.596 -1.385 0.387 1.00 65.21 H new ATOM 0 HD12 LEU A 5 18.402 -0.101 0.079 1.00 65.21 H new ATOM 0 HD13 LEU A 5 18.027 -1.408 1.228 1.00 65.21 H new ATOM 0 HD21 LEU A 5 19.234 -3.663 -0.489 1.00 24.23 H new ATOM 0 HD22 LEU A 5 17.651 -3.773 0.317 1.00 24.23 H new ATOM 0 HD23 LEU A 5 17.776 -4.041 -1.438 1.00 24.23 H new ATOM 71 N VAL A 6 15.556 -0.698 2.209 1.00 72.44 N ATOM 72 CA VAL A 6 15.224 0.459 3.031 1.00 61.01 C ATOM 73 C VAL A 6 16.399 0.859 3.917 1.00 72.43 C ATOM 74 O VAL A 6 16.931 1.963 3.799 1.00 34.54 O ATOM 75 CB VAL A 6 13.996 0.183 3.919 1.00 3.10 C ATOM 76 CG1 VAL A 6 13.694 1.385 4.801 1.00 52.13 C ATOM 77 CG2 VAL A 6 12.791 -0.178 3.064 1.00 41.11 C ATOM 0 H VAL A 6 16.123 -1.402 2.681 1.00 72.44 H new ATOM 0 HA VAL A 6 14.993 1.277 2.348 1.00 61.01 H new ATOM 0 HB VAL A 6 14.220 -0.665 4.566 1.00 3.10 H new ATOM 0 HG11 VAL A 6 12.823 1.172 5.421 1.00 52.13 H new ATOM 0 HG12 VAL A 6 14.553 1.592 5.440 1.00 52.13 H new ATOM 0 HG13 VAL A 6 13.489 2.253 4.175 1.00 52.13 H new ATOM 0 HG21 VAL A 6 11.933 -0.370 3.708 1.00 41.11 H new ATOM 0 HG22 VAL A 6 12.562 0.648 2.390 1.00 41.11 H new ATOM 0 HG23 VAL A 6 13.014 -1.071 2.480 1.00 41.11 H new ATOM 87 N SER A 7 16.799 -0.047 4.803 1.00 24.13 N ATOM 88 CA SER A 7 17.910 0.212 5.712 1.00 31.12 C ATOM 89 C SER A 7 18.275 -1.045 6.496 1.00 32.10 C ATOM 90 O SER A 7 17.399 -1.788 6.941 1.00 65.33 O ATOM 91 CB SER A 7 17.553 1.343 6.678 1.00 13.31 C ATOM 92 OG SER A 7 17.985 2.597 6.178 1.00 70.44 O ATOM 0 H SER A 7 16.371 -0.966 4.911 1.00 24.13 H new ATOM 0 HA SER A 7 18.772 0.511 5.116 1.00 31.12 H new ATOM 0 HB2 SER A 7 16.475 1.363 6.836 1.00 13.31 H new ATOM 0 HB3 SER A 7 18.014 1.156 7.648 1.00 13.31 H new ATOM 0 HG SER A 7 17.727 2.680 5.236 1.00 70.44 H new ATOM 98 N ILE A 8 19.573 -1.276 6.661 1.00 51.31 N ATOM 99 CA ILE A 8 20.054 -2.441 7.392 1.00 64.54 C ATOM 100 C ILE A 8 20.830 -2.028 8.638 1.00 40.45 C ATOM 101 O ILE A 8 21.384 -0.930 8.700 1.00 23.32 O ATOM 102 CB ILE A 8 20.956 -3.326 6.510 1.00 54.12 C ATOM 103 CG1 ILE A 8 22.264 -2.600 6.190 1.00 53.44 C ATOM 104 CG2 ILE A 8 20.230 -3.711 5.229 1.00 10.22 C ATOM 105 CD1 ILE A 8 23.491 -3.296 6.735 1.00 73.22 C ATOM 0 H ILE A 8 20.310 -0.672 6.298 1.00 51.31 H new ATOM 0 HA ILE A 8 19.174 -3.012 7.688 1.00 64.54 H new ATOM 0 HB ILE A 8 21.194 -4.238 7.058 1.00 54.12 H new ATOM 0 HG12 ILE A 8 22.361 -2.504 5.109 1.00 53.44 H new ATOM 0 HG13 ILE A 8 22.218 -1.590 6.597 1.00 53.44 H new ATOM 0 HG21 ILE A 8 20.880 -4.336 4.616 1.00 10.22 H new ATOM 0 HG22 ILE A 8 19.323 -4.263 5.476 1.00 10.22 H new ATOM 0 HG23 ILE A 8 19.966 -2.810 4.675 1.00 10.22 H new ATOM 0 HD11 ILE A 8 24.381 -2.725 6.470 1.00 73.22 H new ATOM 0 HD12 ILE A 8 23.416 -3.369 7.820 1.00 73.22 H new ATOM 0 HD13 ILE A 8 23.561 -4.297 6.308 1.00 73.22 H new ATOM 117 N SER A 9 20.866 -2.914 9.627 1.00 23.31 N ATOM 118 CA SER A 9 21.573 -2.641 10.873 1.00 13.31 C ATOM 119 C SER A 9 22.879 -3.426 10.940 1.00 3.45 C ATOM 120 O SER A 9 22.876 -4.650 11.066 1.00 34.22 O ATOM 121 CB SER A 9 20.690 -2.993 12.072 1.00 24.12 C ATOM 122 OG SER A 9 20.431 -1.850 12.868 1.00 53.42 O ATOM 0 H SER A 9 20.414 -3.828 9.590 1.00 23.31 H new ATOM 0 HA SER A 9 21.808 -1.577 10.904 1.00 13.31 H new ATOM 0 HB2 SER A 9 19.749 -3.417 11.722 1.00 24.12 H new ATOM 0 HB3 SER A 9 21.179 -3.757 12.676 1.00 24.12 H new ATOM 0 HG SER A 9 19.864 -2.101 13.626 1.00 53.42 H new ATOM 128 N VAL A 10 23.997 -2.711 10.856 1.00 52.22 N ATOM 129 CA VAL A 10 25.312 -3.339 10.908 1.00 13.50 C ATOM 130 C VAL A 10 25.987 -3.089 12.252 1.00 34.41 C ATOM 131 O VAL A 10 25.997 -1.966 12.754 1.00 12.43 O ATOM 132 CB VAL A 10 26.226 -2.820 9.783 1.00 45.24 C ATOM 133 CG1 VAL A 10 26.522 -1.340 9.974 1.00 70.01 C ATOM 134 CG2 VAL A 10 27.515 -3.627 9.729 1.00 11.34 C ATOM 0 H VAL A 10 24.018 -1.697 10.752 1.00 52.22 H new ATOM 0 HA VAL A 10 25.157 -4.410 10.776 1.00 13.50 H new ATOM 0 HB VAL A 10 25.707 -2.942 8.832 1.00 45.24 H new ATOM 0 HG11 VAL A 10 27.169 -0.992 9.169 1.00 70.01 H new ATOM 0 HG12 VAL A 10 25.589 -0.777 9.958 1.00 70.01 H new ATOM 0 HG13 VAL A 10 27.020 -1.189 10.932 1.00 70.01 H new ATOM 0 HG21 VAL A 10 28.149 -3.247 8.928 1.00 11.34 H new ATOM 0 HG22 VAL A 10 28.040 -3.539 10.680 1.00 11.34 H new ATOM 0 HG23 VAL A 10 27.281 -4.675 9.540 1.00 11.34 H new ATOM 144 N SER A 11 26.550 -4.145 12.830 1.00 64.42 N ATOM 145 CA SER A 11 27.225 -4.042 14.118 1.00 24.33 C ATOM 146 C SER A 11 28.710 -4.364 13.981 1.00 63.51 C ATOM 147 O SER A 11 29.193 -5.397 14.446 1.00 63.24 O ATOM 148 CB SER A 11 26.579 -4.987 15.134 1.00 51.44 C ATOM 149 OG SER A 11 25.437 -4.393 15.726 1.00 34.34 O ATOM 0 H SER A 11 26.552 -5.082 12.427 1.00 64.42 H new ATOM 0 HA SER A 11 27.124 -3.016 14.471 1.00 24.33 H new ATOM 0 HB2 SER A 11 26.295 -5.917 14.642 1.00 51.44 H new ATOM 0 HB3 SER A 11 27.302 -5.244 15.908 1.00 51.44 H new ATOM 0 HG SER A 11 25.041 -5.016 16.370 1.00 34.34 H new ATOM 155 N PRO A 12 29.453 -3.459 13.327 1.00 62.33 N ATOM 156 CA PRO A 12 30.894 -3.624 13.113 1.00 40.45 C ATOM 157 C PRO A 12 31.691 -3.488 14.405 1.00 24.42 C ATOM 158 O PRO A 12 31.349 -2.690 15.278 1.00 33.33 O ATOM 159 CB PRO A 12 31.241 -2.486 12.149 1.00 63.44 C ATOM 160 CG PRO A 12 30.196 -1.453 12.390 1.00 51.22 C ATOM 161 CD PRO A 12 28.944 -2.206 12.746 1.00 11.52 C ATOM 0 HA PRO A 12 31.139 -4.615 12.731 1.00 40.45 H new ATOM 0 HB2 PRO A 12 32.239 -2.093 12.344 1.00 63.44 H new ATOM 0 HB3 PRO A 12 31.229 -2.827 11.114 1.00 63.44 H new ATOM 0 HG2 PRO A 12 30.490 -0.781 13.196 1.00 51.22 H new ATOM 0 HG3 PRO A 12 30.043 -0.838 11.503 1.00 51.22 H new ATOM 0 HD2 PRO A 12 28.331 -1.653 13.458 1.00 11.52 H new ATOM 0 HD3 PRO A 12 28.324 -2.392 11.869 1.00 11.52 H new ATOM 169 N THR A 13 32.758 -4.273 14.522 1.00 22.22 N ATOM 170 CA THR A 13 33.604 -4.241 15.709 1.00 60.44 C ATOM 171 C THR A 13 35.013 -3.769 15.367 1.00 34.11 C ATOM 172 O THR A 13 35.750 -4.450 14.655 1.00 12.51 O ATOM 173 CB THR A 13 33.687 -5.627 16.376 1.00 2.04 C ATOM 174 OG1 THR A 13 32.535 -6.405 16.035 1.00 60.53 O ATOM 175 CG2 THR A 13 33.785 -5.494 17.889 1.00 42.33 C ATOM 0 H THR A 13 33.057 -4.939 13.809 1.00 22.22 H new ATOM 0 HA THR A 13 33.147 -3.537 16.405 1.00 60.44 H new ATOM 0 HB THR A 13 34.584 -6.128 16.011 1.00 2.04 H new ATOM 0 HG1 THR A 13 32.597 -7.285 16.462 1.00 60.53 H new ATOM 0 HG21 THR A 13 33.842 -6.485 18.338 1.00 42.33 H new ATOM 0 HG22 THR A 13 34.679 -4.926 18.147 1.00 42.33 H new ATOM 0 HG23 THR A 13 32.904 -4.975 18.266 1.00 42.33 H new ATOM 183 N ASN A 14 35.380 -2.599 15.880 1.00 22.53 N ATOM 184 CA ASN A 14 36.702 -2.036 15.629 1.00 31.22 C ATOM 185 C ASN A 14 37.653 -2.347 16.781 1.00 63.04 C ATOM 186 O ASN A 14 37.460 -1.878 17.902 1.00 25.55 O ATOM 187 CB ASN A 14 36.604 -0.523 15.428 1.00 42.31 C ATOM 188 CG ASN A 14 35.768 -0.153 14.218 1.00 64.13 C ATOM 189 OD1 ASN A 14 36.296 0.287 13.196 1.00 12.01 O ATOM 190 ND2 ASN A 14 34.457 -0.331 14.328 1.00 10.20 N ATOM 0 H ASN A 14 34.781 -2.023 16.471 1.00 22.53 H new ATOM 0 HA ASN A 14 37.098 -2.492 14.721 1.00 31.22 H new ATOM 0 HB2 ASN A 14 36.170 -0.068 16.319 1.00 42.31 H new ATOM 0 HB3 ASN A 14 37.606 -0.109 15.314 1.00 42.31 H new ATOM 0 HD21 ASN A 14 33.844 -0.100 13.546 1.00 10.20 H new ATOM 0 HD22 ASN A 14 34.063 -0.698 15.194 1.00 10.20 H new ATOM 197 N SER A 15 38.681 -3.140 16.494 1.00 0.13 N ATOM 198 CA SER A 15 39.661 -3.516 17.506 1.00 23.22 C ATOM 199 C SER A 15 40.884 -4.163 16.864 1.00 63.34 C ATOM 200 O SER A 15 41.041 -4.148 15.642 1.00 13.21 O ATOM 201 CB SER A 15 39.036 -4.476 18.520 1.00 10.03 C ATOM 202 OG SER A 15 39.237 -4.019 19.846 1.00 2.24 O ATOM 0 H SER A 15 38.856 -3.534 15.570 1.00 0.13 H new ATOM 0 HA SER A 15 39.979 -2.610 18.022 1.00 23.22 H new ATOM 0 HB2 SER A 15 37.968 -4.573 18.323 1.00 10.03 H new ATOM 0 HB3 SER A 15 39.473 -5.468 18.404 1.00 10.03 H new ATOM 0 HG SER A 15 38.827 -4.649 20.475 1.00 2.24 H new ATOM 208 N THR A 16 41.751 -4.733 17.696 1.00 51.42 N ATOM 209 CA THR A 16 42.961 -5.384 17.211 1.00 31.40 C ATOM 210 C THR A 16 42.823 -6.902 17.255 1.00 42.14 C ATOM 211 O THR A 16 42.114 -7.447 18.101 1.00 63.04 O ATOM 212 CB THR A 16 44.193 -4.968 18.037 1.00 34.10 C ATOM 213 OG1 THR A 16 44.152 -5.591 19.326 1.00 71.45 O ATOM 214 CG2 THR A 16 44.249 -3.457 18.201 1.00 52.23 C ATOM 0 H THR A 16 41.637 -4.757 18.709 1.00 51.42 H new ATOM 0 HA THR A 16 43.100 -5.064 16.179 1.00 31.40 H new ATOM 0 HB THR A 16 45.087 -5.294 17.505 1.00 34.10 H new ATOM 0 HG1 THR A 16 44.939 -5.323 19.844 1.00 71.45 H new ATOM 0 HG21 THR A 16 45.127 -3.187 18.788 1.00 52.23 H new ATOM 0 HG22 THR A 16 44.309 -2.986 17.220 1.00 52.23 H new ATOM 0 HG23 THR A 16 43.351 -3.113 18.714 1.00 52.23 H new ATOM 222 N VAL A 17 43.506 -7.580 16.338 1.00 61.03 N ATOM 223 CA VAL A 17 43.461 -9.036 16.273 1.00 43.13 C ATOM 224 C VAL A 17 44.856 -9.620 16.077 1.00 74.53 C ATOM 225 O VAL A 17 45.738 -8.972 15.515 1.00 61.41 O ATOM 226 CB VAL A 17 42.549 -9.519 15.130 1.00 52.13 C ATOM 227 CG1 VAL A 17 43.157 -9.174 13.779 1.00 71.32 C ATOM 228 CG2 VAL A 17 42.298 -11.015 15.245 1.00 51.12 C ATOM 0 H VAL A 17 44.097 -7.144 15.630 1.00 61.03 H new ATOM 0 HA VAL A 17 43.055 -9.383 17.223 1.00 43.13 H new ATOM 0 HB VAL A 17 41.591 -9.006 15.211 1.00 52.13 H new ATOM 0 HG11 VAL A 17 42.498 -9.523 12.984 1.00 71.32 H new ATOM 0 HG12 VAL A 17 43.280 -8.094 13.700 1.00 71.32 H new ATOM 0 HG13 VAL A 17 44.129 -9.658 13.683 1.00 71.32 H new ATOM 0 HG21 VAL A 17 41.652 -11.339 14.429 1.00 51.12 H new ATOM 0 HG22 VAL A 17 43.247 -11.548 15.190 1.00 51.12 H new ATOM 0 HG23 VAL A 17 41.815 -11.231 16.198 1.00 51.12 H new ATOM 238 N ALA A 18 45.047 -10.850 16.544 1.00 73.04 N ATOM 239 CA ALA A 18 46.333 -11.524 16.417 1.00 2.44 C ATOM 240 C ALA A 18 46.618 -11.896 14.966 1.00 32.24 C ATOM 241 O ALA A 18 45.700 -12.027 14.156 1.00 11.43 O ATOM 242 CB ALA A 18 46.369 -12.763 17.299 1.00 13.03 C ATOM 0 H ALA A 18 44.327 -11.399 17.014 1.00 73.04 H new ATOM 0 HA ALA A 18 47.110 -10.834 16.746 1.00 2.44 H new ATOM 0 HB1 ALA A 18 47.335 -13.256 17.194 1.00 13.03 H new ATOM 0 HB2 ALA A 18 46.220 -12.474 18.339 1.00 13.03 H new ATOM 0 HB3 ALA A 18 45.577 -13.448 16.996 1.00 13.03 H new ATOM 248 N LYS A 19 47.896 -12.066 14.644 1.00 55.23 N ATOM 249 CA LYS A 19 48.302 -12.424 13.290 1.00 23.02 C ATOM 250 C LYS A 19 47.534 -13.646 12.797 1.00 41.24 C ATOM 251 O LYS A 19 47.284 -14.582 13.555 1.00 52.33 O ATOM 252 CB LYS A 19 49.807 -12.701 13.244 1.00 34.42 C ATOM 253 CG LYS A 19 50.253 -13.795 14.199 1.00 10.34 C ATOM 254 CD LYS A 19 51.752 -13.747 14.440 1.00 5.12 C ATOM 255 CE LYS A 19 52.188 -14.793 15.455 1.00 13.22 C ATOM 256 NZ LYS A 19 53.473 -15.439 15.069 1.00 33.04 N ATOM 0 H LYS A 19 48.668 -11.962 15.302 1.00 55.23 H new ATOM 0 HA LYS A 19 48.073 -11.584 12.634 1.00 23.02 H new ATOM 0 HB2 LYS A 19 50.086 -12.981 12.228 1.00 34.42 H new ATOM 0 HB3 LYS A 19 50.344 -11.783 13.480 1.00 34.42 H new ATOM 0 HG2 LYS A 19 49.727 -13.688 15.148 1.00 10.34 H new ATOM 0 HG3 LYS A 19 49.980 -14.768 13.792 1.00 10.34 H new ATOM 0 HD2 LYS A 19 52.278 -13.910 13.499 1.00 5.12 H new ATOM 0 HD3 LYS A 19 52.033 -12.755 14.795 1.00 5.12 H new ATOM 0 HE2 LYS A 19 52.296 -14.326 16.434 1.00 13.22 H new ATOM 0 HE3 LYS A 19 51.413 -15.554 15.548 1.00 13.22 H new ATOM 0 HZ1 LYS A 19 53.736 -16.145 15.786 1.00 33.04 H new ATOM 0 HZ2 LYS A 19 53.363 -15.906 14.146 1.00 33.04 H new ATOM 0 HZ3 LYS A 19 54.219 -14.717 15.005 1.00 33.04 H new ATOM 270 N GLY A 20 47.163 -13.630 11.520 1.00 65.44 N ATOM 271 CA GLY A 20 46.429 -14.743 10.947 1.00 71.21 C ATOM 272 C GLY A 20 45.158 -15.055 11.713 1.00 44.32 C ATOM 273 O GLY A 20 45.110 -16.012 12.486 1.00 33.04 O ATOM 0 H GLY A 20 47.358 -12.866 10.873 1.00 65.44 H new ATOM 0 HA2 GLY A 20 46.178 -14.514 9.911 1.00 71.21 H new ATOM 0 HA3 GLY A 20 47.067 -15.626 10.933 1.00 71.21 H new ATOM 277 N LEU A 21 44.127 -14.245 11.500 1.00 44.44 N ATOM 278 CA LEU A 21 42.850 -14.437 12.177 1.00 30.42 C ATOM 279 C LEU A 21 41.701 -13.887 11.339 1.00 15.12 C ATOM 280 O LEU A 21 41.877 -12.941 10.573 1.00 43.45 O ATOM 281 CB LEU A 21 42.869 -13.757 13.547 1.00 1.20 C ATOM 282 CG LEU A 21 42.562 -14.654 14.747 1.00 43.04 C ATOM 283 CD1 LEU A 21 41.261 -15.410 14.529 1.00 71.13 C ATOM 284 CD2 LEU A 21 43.709 -15.623 14.995 1.00 41.01 C ATOM 0 H LEU A 21 44.151 -13.448 10.863 1.00 44.44 H new ATOM 0 HA LEU A 21 42.696 -15.508 12.312 1.00 30.42 H new ATOM 0 HB2 LEU A 21 43.852 -13.311 13.695 1.00 1.20 H new ATOM 0 HB3 LEU A 21 42.147 -12.941 13.535 1.00 1.20 H new ATOM 0 HG LEU A 21 42.448 -14.023 15.629 1.00 43.04 H new ATOM 0 HD11 LEU A 21 41.059 -16.043 15.393 1.00 71.13 H new ATOM 0 HD12 LEU A 21 40.444 -14.699 14.401 1.00 71.13 H new ATOM 0 HD13 LEU A 21 41.346 -16.030 13.637 1.00 71.13 H new ATOM 0 HD21 LEU A 21 43.474 -16.254 15.852 1.00 41.01 H new ATOM 0 HD22 LEU A 21 43.854 -16.248 14.114 1.00 41.01 H new ATOM 0 HD23 LEU A 21 44.622 -15.062 15.197 1.00 41.01 H new ATOM 296 N GLN A 22 40.524 -14.485 11.493 1.00 54.10 N ATOM 297 CA GLN A 22 39.345 -14.053 10.751 1.00 0.21 C ATOM 298 C GLN A 22 38.200 -13.711 11.699 1.00 42.10 C ATOM 299 O GLN A 22 37.966 -14.412 12.682 1.00 25.45 O ATOM 300 CB GLN A 22 38.904 -15.143 9.773 1.00 44.25 C ATOM 301 CG GLN A 22 38.920 -16.540 10.371 1.00 32.10 C ATOM 302 CD GLN A 22 37.796 -17.412 9.847 1.00 14.20 C ATOM 303 OE1 GLN A 22 37.075 -18.046 10.618 1.00 23.24 O ATOM 304 NE2 GLN A 22 37.639 -17.448 8.529 1.00 41.31 N ATOM 0 H GLN A 22 40.361 -15.269 12.124 1.00 54.10 H new ATOM 0 HA GLN A 22 39.609 -13.156 10.190 1.00 0.21 H new ATOM 0 HB2 GLN A 22 37.897 -14.919 9.422 1.00 44.25 H new ATOM 0 HB3 GLN A 22 39.557 -15.123 8.901 1.00 44.25 H new ATOM 0 HG2 GLN A 22 39.876 -17.015 10.150 1.00 32.10 H new ATOM 0 HG3 GLN A 22 38.843 -16.468 11.456 1.00 32.10 H new ATOM 0 HE21 GLN A 22 38.259 -16.907 7.927 1.00 41.31 H new ATOM 0 HE22 GLN A 22 36.898 -18.017 8.119 1.00 41.31 H new ATOM 313 N GLU A 23 37.490 -12.628 11.396 1.00 65.52 N ATOM 314 CA GLU A 23 36.371 -12.194 12.223 1.00 53.25 C ATOM 315 C GLU A 23 35.096 -12.074 11.393 1.00 73.44 C ATOM 316 O GLU A 23 35.071 -11.393 10.369 1.00 72.35 O ATOM 317 CB GLU A 23 36.688 -10.852 12.886 1.00 43.25 C ATOM 318 CG GLU A 23 36.215 -10.758 14.326 1.00 4.24 C ATOM 319 CD GLU A 23 35.008 -9.855 14.486 1.00 11.44 C ATOM 320 OE1 GLU A 23 34.027 -10.037 13.735 1.00 64.53 O ATOM 321 OE2 GLU A 23 35.043 -8.965 15.362 1.00 22.53 O ATOM 0 H GLU A 23 37.670 -12.036 10.585 1.00 65.52 H new ATOM 0 HA GLU A 23 36.212 -12.945 12.997 1.00 53.25 H new ATOM 0 HB2 GLU A 23 37.765 -10.686 12.855 1.00 43.25 H new ATOM 0 HB3 GLU A 23 36.225 -10.052 12.308 1.00 43.25 H new ATOM 0 HG2 GLU A 23 35.968 -11.756 14.689 1.00 4.24 H new ATOM 0 HG3 GLU A 23 37.028 -10.384 14.948 1.00 4.24 H new ATOM 328 N ASN A 24 34.039 -12.743 11.843 1.00 51.12 N ATOM 329 CA ASN A 24 32.760 -12.713 11.142 1.00 63.31 C ATOM 330 C ASN A 24 31.877 -11.586 11.669 1.00 61.33 C ATOM 331 O ASN A 24 31.827 -11.333 12.873 1.00 62.25 O ATOM 332 CB ASN A 24 32.040 -14.055 11.295 1.00 42.55 C ATOM 333 CG ASN A 24 31.775 -14.406 12.746 1.00 74.34 C ATOM 334 OD1 ASN A 24 30.829 -13.905 13.354 1.00 23.04 O ATOM 335 ND2 ASN A 24 32.610 -15.272 13.307 1.00 64.32 N ATOM 0 H ASN A 24 34.043 -13.312 12.689 1.00 51.12 H new ATOM 0 HA ASN A 24 32.957 -12.532 10.085 1.00 63.31 H new ATOM 0 HB2 ASN A 24 31.095 -14.021 10.754 1.00 42.55 H new ATOM 0 HB3 ASN A 24 32.641 -14.841 10.838 1.00 42.55 H new ATOM 0 HD21 ASN A 24 32.481 -15.547 14.281 1.00 64.32 H new ATOM 0 HD22 ASN A 24 33.381 -15.662 12.765 1.00 64.32 H new ATOM 342 N PHE A 25 31.181 -10.913 10.759 1.00 41.23 N ATOM 343 CA PHE A 25 30.300 -9.812 11.131 1.00 74.40 C ATOM 344 C PHE A 25 28.836 -10.235 11.046 1.00 20.44 C ATOM 345 O PHE A 25 28.527 -11.414 10.868 1.00 4.11 O ATOM 346 CB PHE A 25 30.546 -8.604 10.225 1.00 63.43 C ATOM 347 CG PHE A 25 31.983 -8.169 10.184 1.00 63.22 C ATOM 348 CD1 PHE A 25 32.736 -8.109 11.345 1.00 11.45 C ATOM 349 CD2 PHE A 25 32.581 -7.820 8.984 1.00 62.35 C ATOM 350 CE1 PHE A 25 34.059 -7.709 11.311 1.00 13.13 C ATOM 351 CE2 PHE A 25 33.904 -7.420 8.943 1.00 35.31 C ATOM 352 CZ PHE A 25 34.643 -7.363 10.108 1.00 32.35 C ATOM 0 H PHE A 25 31.210 -11.111 9.759 1.00 41.23 H new ATOM 0 HA PHE A 25 30.522 -9.535 12.162 1.00 74.40 H new ATOM 0 HB2 PHE A 25 30.219 -8.846 9.214 1.00 63.43 H new ATOM 0 HB3 PHE A 25 29.932 -7.771 10.568 1.00 63.43 H new ATOM 0 HD1 PHE A 25 32.284 -8.378 12.288 1.00 11.45 H new ATOM 0 HD2 PHE A 25 32.007 -7.861 8.070 1.00 62.35 H new ATOM 0 HE1 PHE A 25 34.635 -7.667 12.224 1.00 13.13 H new ATOM 0 HE2 PHE A 25 34.359 -7.152 8.001 1.00 35.31 H new ATOM 0 HZ PHE A 25 35.676 -7.048 10.079 1.00 32.35 H new ATOM 362 N LYS A 26 27.938 -9.265 11.176 1.00 34.22 N ATOM 363 CA LYS A 26 26.506 -9.534 11.114 1.00 31.21 C ATOM 364 C LYS A 26 25.765 -8.385 10.439 1.00 40.53 C ATOM 365 O LYS A 26 26.076 -7.216 10.665 1.00 41.53 O ATOM 366 CB LYS A 26 25.947 -9.759 12.521 1.00 52.31 C ATOM 367 CG LYS A 26 25.978 -11.211 12.963 1.00 22.43 C ATOM 368 CD LYS A 26 25.289 -11.401 14.304 1.00 72.10 C ATOM 369 CE LYS A 26 26.283 -11.767 15.395 1.00 2.12 C ATOM 370 NZ LYS A 26 26.845 -10.559 16.061 1.00 22.20 N ATOM 0 H LYS A 26 28.176 -8.285 11.325 1.00 34.22 H new ATOM 0 HA LYS A 26 26.357 -10.437 10.522 1.00 31.21 H new ATOM 0 HB2 LYS A 26 26.519 -9.160 13.230 1.00 52.31 H new ATOM 0 HB3 LYS A 26 24.919 -9.399 12.556 1.00 52.31 H new ATOM 0 HG2 LYS A 26 25.490 -11.831 12.211 1.00 22.43 H new ATOM 0 HG3 LYS A 26 27.012 -11.549 13.033 1.00 22.43 H new ATOM 0 HD2 LYS A 26 24.767 -10.485 14.579 1.00 72.10 H new ATOM 0 HD3 LYS A 26 24.536 -12.184 14.219 1.00 72.10 H new ATOM 0 HE2 LYS A 26 25.792 -12.396 16.138 1.00 2.12 H new ATOM 0 HE3 LYS A 26 27.094 -12.355 14.965 1.00 2.12 H new ATOM 0 HZ1 LYS A 26 27.518 -10.851 16.798 1.00 22.20 H new ATOM 0 HZ2 LYS A 26 27.336 -9.971 15.357 1.00 22.20 H new ATOM 0 HZ3 LYS A 26 26.074 -10.011 16.493 1.00 22.20 H new ATOM 384 N ALA A 27 24.783 -8.725 9.610 1.00 1.24 N ATOM 385 CA ALA A 27 23.996 -7.721 8.905 1.00 10.23 C ATOM 386 C ALA A 27 22.516 -8.089 8.898 1.00 22.00 C ATOM 387 O ALA A 27 22.129 -9.140 8.387 1.00 63.45 O ATOM 388 CB ALA A 27 24.507 -7.553 7.482 1.00 22.21 C ATOM 0 H ALA A 27 24.514 -9.688 9.410 1.00 1.24 H new ATOM 0 HA ALA A 27 24.105 -6.773 9.432 1.00 10.23 H new ATOM 0 HB1 ALA A 27 23.910 -6.800 6.967 1.00 22.21 H new ATOM 0 HB2 ALA A 27 25.550 -7.236 7.505 1.00 22.21 H new ATOM 0 HB3 ALA A 27 24.428 -8.503 6.953 1.00 22.21 H new ATOM 394 N THR A 28 21.691 -7.217 9.470 1.00 62.14 N ATOM 395 CA THR A 28 20.254 -7.451 9.531 1.00 61.55 C ATOM 396 C THR A 28 19.489 -6.378 8.765 1.00 11.01 C ATOM 397 O THR A 28 19.344 -5.251 9.236 1.00 54.42 O ATOM 398 CB THR A 28 19.752 -7.485 10.986 1.00 15.42 C ATOM 399 OG1 THR A 28 20.862 -7.582 11.886 1.00 75.04 O ATOM 400 CG2 THR A 28 18.809 -8.658 11.207 1.00 61.22 C ATOM 0 H THR A 28 21.994 -6.342 9.898 1.00 62.14 H new ATOM 0 HA THR A 28 20.072 -8.421 9.069 1.00 61.55 H new ATOM 0 HB THR A 28 19.208 -6.561 11.180 1.00 15.42 H new ATOM 0 HG1 THR A 28 20.534 -7.601 12.809 1.00 75.04 H new ATOM 0 HG21 THR A 28 18.468 -8.661 12.242 1.00 61.22 H new ATOM 0 HG22 THR A 28 17.950 -8.565 10.542 1.00 61.22 H new ATOM 0 HG23 THR A 28 19.332 -9.590 10.995 1.00 61.22 H new ATOM 408 N GLY A 29 19.000 -6.736 7.581 1.00 23.14 N ATOM 409 CA GLY A 29 18.255 -5.792 6.770 1.00 41.50 C ATOM 410 C GLY A 29 16.768 -5.824 7.061 1.00 32.11 C ATOM 411 O GLY A 29 16.155 -6.892 7.077 1.00 61.12 O ATOM 0 H GLY A 29 19.107 -7.663 7.170 1.00 23.14 H new ATOM 0 HA2 GLY A 29 18.635 -4.786 6.948 1.00 41.50 H new ATOM 0 HA3 GLY A 29 18.421 -6.014 5.716 1.00 41.50 H new ATOM 415 N ILE A 30 16.186 -4.652 7.294 1.00 63.23 N ATOM 416 CA ILE A 30 14.762 -4.552 7.586 1.00 10.53 C ATOM 417 C ILE A 30 14.079 -3.554 6.657 1.00 40.10 C ATOM 418 O ILE A 30 14.282 -2.345 6.769 1.00 2.22 O ATOM 419 CB ILE A 30 14.516 -4.127 9.046 1.00 32.53 C ATOM 420 CG1 ILE A 30 15.264 -5.058 10.004 1.00 51.35 C ATOM 421 CG2 ILE A 30 13.026 -4.129 9.354 1.00 11.32 C ATOM 422 CD1 ILE A 30 16.260 -4.341 10.888 1.00 14.41 C ATOM 0 H ILE A 30 16.679 -3.759 7.286 1.00 63.23 H new ATOM 0 HA ILE A 30 14.337 -5.543 7.427 1.00 10.53 H new ATOM 0 HB ILE A 30 14.895 -3.114 9.183 1.00 32.53 H new ATOM 0 HG12 ILE A 30 14.540 -5.577 10.632 1.00 51.35 H new ATOM 0 HG13 ILE A 30 15.787 -5.819 9.424 1.00 51.35 H new ATOM 0 HG21 ILE A 30 12.868 -3.827 10.389 1.00 11.32 H new ATOM 0 HG22 ILE A 30 12.516 -3.431 8.690 1.00 11.32 H new ATOM 0 HG23 ILE A 30 12.625 -5.131 9.204 1.00 11.32 H new ATOM 0 HD11 ILE A 30 16.752 -5.062 11.540 1.00 14.41 H new ATOM 0 HD12 ILE A 30 17.006 -3.844 10.267 1.00 14.41 H new ATOM 0 HD13 ILE A 30 15.740 -3.599 11.494 1.00 14.41 H new ATOM 434 N PHE A 31 13.267 -4.069 5.740 1.00 54.52 N ATOM 435 CA PHE A 31 12.552 -3.223 4.791 1.00 50.13 C ATOM 436 C PHE A 31 11.110 -3.000 5.239 1.00 64.32 C ATOM 437 O PHE A 31 10.654 -3.591 6.218 1.00 14.02 O ATOM 438 CB PHE A 31 12.573 -3.854 3.397 1.00 40.42 C ATOM 439 CG PHE A 31 13.914 -4.408 3.010 1.00 44.53 C ATOM 440 CD1 PHE A 31 15.077 -3.718 3.314 1.00 62.20 C ATOM 441 CD2 PHE A 31 14.013 -5.618 2.342 1.00 14.41 C ATOM 442 CE1 PHE A 31 16.313 -4.225 2.958 1.00 33.41 C ATOM 443 CE2 PHE A 31 15.245 -6.130 1.984 1.00 24.01 C ATOM 444 CZ PHE A 31 16.397 -5.433 2.294 1.00 70.35 C ATOM 0 H PHE A 31 13.088 -5.067 5.634 1.00 54.52 H new ATOM 0 HA PHE A 31 13.055 -2.257 4.753 1.00 50.13 H new ATOM 0 HB2 PHE A 31 11.833 -4.654 3.358 1.00 40.42 H new ATOM 0 HB3 PHE A 31 12.273 -3.106 2.664 1.00 40.42 H new ATOM 0 HD1 PHE A 31 15.017 -2.774 3.835 1.00 62.20 H new ATOM 0 HD2 PHE A 31 13.116 -6.168 2.098 1.00 14.41 H new ATOM 0 HE1 PHE A 31 17.212 -3.677 3.199 1.00 33.41 H new ATOM 0 HE2 PHE A 31 15.308 -7.074 1.463 1.00 24.01 H new ATOM 0 HZ PHE A 31 17.362 -5.832 2.017 1.00 70.35 H new ATOM 454 N THR A 32 10.398 -2.143 4.515 1.00 54.21 N ATOM 455 CA THR A 32 9.009 -1.840 4.838 1.00 40.25 C ATOM 456 C THR A 32 8.111 -3.046 4.589 1.00 71.12 C ATOM 457 O THR A 32 7.018 -3.144 5.147 1.00 21.14 O ATOM 458 CB THR A 32 8.488 -0.648 4.013 1.00 0.50 C ATOM 459 OG1 THR A 32 9.571 0.227 3.677 1.00 23.34 O ATOM 460 CG2 THR A 32 7.429 0.123 4.786 1.00 15.20 C ATOM 0 H THR A 32 10.760 -1.646 3.701 1.00 54.21 H new ATOM 0 HA THR A 32 8.980 -1.581 5.896 1.00 40.25 H new ATOM 0 HB THR A 32 8.038 -1.036 3.099 1.00 0.50 H new ATOM 0 HG1 THR A 32 9.231 0.981 3.151 1.00 23.34 H new ATOM 0 HG21 THR A 32 7.076 0.960 4.184 1.00 15.20 H new ATOM 0 HG22 THR A 32 6.593 -0.537 5.015 1.00 15.20 H new ATOM 0 HG23 THR A 32 7.858 0.500 5.714 1.00 15.20 H new ATOM 468 N ASP A 33 8.578 -3.963 3.748 1.00 4.54 N ATOM 469 CA ASP A 33 7.818 -5.164 3.427 1.00 34.42 C ATOM 470 C ASP A 33 8.204 -6.315 4.351 1.00 61.31 C ATOM 471 O ASP A 33 7.961 -7.481 4.041 1.00 1.24 O ATOM 472 CB ASP A 33 8.048 -5.565 1.969 1.00 32.02 C ATOM 473 CG ASP A 33 9.326 -6.359 1.782 1.00 51.44 C ATOM 474 OD1 ASP A 33 10.299 -6.098 2.519 1.00 42.31 O ATOM 475 OD2 ASP A 33 9.353 -7.240 0.897 1.00 1.00 O ATOM 0 H ASP A 33 9.480 -3.897 3.276 1.00 4.54 H new ATOM 0 HA ASP A 33 6.760 -4.944 3.573 1.00 34.42 H new ATOM 0 HB2 ASP A 33 7.202 -6.157 1.620 1.00 32.02 H new ATOM 0 HB3 ASP A 33 8.087 -4.668 1.350 1.00 32.02 H new ATOM 480 N ASN A 34 8.808 -5.979 5.486 1.00 3.00 N ATOM 481 CA ASN A 34 9.230 -6.985 6.454 1.00 1.44 C ATOM 482 C ASN A 34 9.834 -8.197 5.752 1.00 54.03 C ATOM 483 O ASN A 34 9.492 -9.339 6.059 1.00 52.05 O ATOM 484 CB ASN A 34 8.045 -7.420 7.318 1.00 13.44 C ATOM 485 CG ASN A 34 6.926 -8.033 6.499 1.00 50.24 C ATOM 486 OD1 ASN A 34 6.910 -9.239 6.253 1.00 24.24 O ATOM 487 ND2 ASN A 34 5.983 -7.202 6.070 1.00 12.01 N ATOM 0 H ASN A 34 9.016 -5.018 5.758 1.00 3.00 H new ATOM 0 HA ASN A 34 9.993 -6.540 7.093 1.00 1.44 H new ATOM 0 HB2 ASN A 34 8.386 -8.142 8.060 1.00 13.44 H new ATOM 0 HB3 ASN A 34 7.662 -6.558 7.864 1.00 13.44 H new ATOM 0 HD21 ASN A 34 5.206 -7.557 5.513 1.00 12.01 H new ATOM 0 HD22 ASN A 34 6.036 -6.209 6.298 1.00 12.01 H new ATOM 494 N SER A 35 10.733 -7.940 4.808 1.00 45.22 N ATOM 495 CA SER A 35 11.383 -9.009 4.059 1.00 73.50 C ATOM 496 C SER A 35 12.894 -8.975 4.263 1.00 63.23 C ATOM 497 O SER A 35 13.553 -7.989 3.936 1.00 64.35 O ATOM 498 CB SER A 35 11.055 -8.890 2.569 1.00 14.25 C ATOM 499 OG SER A 35 11.518 -10.021 1.853 1.00 43.13 O ATOM 0 H SER A 35 11.028 -7.000 4.543 1.00 45.22 H new ATOM 0 HA SER A 35 11.005 -9.961 4.432 1.00 73.50 H new ATOM 0 HB2 SER A 35 9.978 -8.789 2.438 1.00 14.25 H new ATOM 0 HB3 SER A 35 11.512 -7.987 2.164 1.00 14.25 H new ATOM 0 HG SER A 35 11.295 -9.921 0.904 1.00 43.13 H new ATOM 505 N ASN A 36 13.437 -10.060 4.806 1.00 34.11 N ATOM 506 CA ASN A 36 14.870 -10.155 5.055 1.00 65.22 C ATOM 507 C ASN A 36 15.584 -10.814 3.878 1.00 2.21 C ATOM 508 O ASN A 36 15.053 -11.730 3.250 1.00 11.24 O ATOM 509 CB ASN A 36 15.136 -10.949 6.336 1.00 75.14 C ATOM 510 CG ASN A 36 14.994 -12.445 6.129 1.00 42.35 C ATOM 511 OD1 ASN A 36 15.855 -13.083 5.523 1.00 43.24 O ATOM 512 ND2 ASN A 36 13.904 -13.011 6.632 1.00 31.21 N ATOM 0 H ASN A 36 12.906 -10.886 5.082 1.00 34.11 H new ATOM 0 HA ASN A 36 15.260 -9.144 5.175 1.00 65.22 H new ATOM 0 HB2 ASN A 36 16.141 -10.728 6.695 1.00 75.14 H new ATOM 0 HB3 ASN A 36 14.442 -10.625 7.112 1.00 75.14 H new ATOM 0 HD21 ASN A 36 13.754 -14.014 6.523 1.00 31.21 H new ATOM 0 HD22 ASN A 36 13.217 -12.443 7.127 1.00 31.21 H new ATOM 519 N SER A 37 16.791 -10.341 3.586 1.00 65.05 N ATOM 520 CA SER A 37 17.577 -10.881 2.482 1.00 23.45 C ATOM 521 C SER A 37 19.019 -11.131 2.914 1.00 62.21 C ATOM 522 O SER A 37 19.635 -10.294 3.573 1.00 4.15 O ATOM 523 CB SER A 37 17.549 -9.923 1.290 1.00 15.03 C ATOM 524 OG SER A 37 16.987 -8.674 1.654 1.00 44.41 O ATOM 0 H SER A 37 17.246 -9.585 4.098 1.00 65.05 H new ATOM 0 HA SER A 37 17.134 -11.832 2.185 1.00 23.45 H new ATOM 0 HB2 SER A 37 18.562 -9.774 0.915 1.00 15.03 H new ATOM 0 HB3 SER A 37 16.970 -10.364 0.479 1.00 15.03 H new ATOM 0 HG SER A 37 16.982 -8.078 0.876 1.00 44.41 H new ATOM 530 N ASP A 38 19.551 -12.289 2.537 1.00 53.22 N ATOM 531 CA ASP A 38 20.920 -12.650 2.883 1.00 64.20 C ATOM 532 C ASP A 38 21.899 -12.149 1.825 1.00 74.10 C ATOM 533 O ASP A 38 21.992 -12.714 0.735 1.00 53.03 O ATOM 534 CB ASP A 38 21.047 -14.167 3.035 1.00 4.23 C ATOM 535 CG ASP A 38 20.424 -14.919 1.876 1.00 31.33 C ATOM 536 OD1 ASP A 38 19.178 -14.945 1.786 1.00 4.04 O ATOM 537 OD2 ASP A 38 21.181 -15.482 1.059 1.00 45.24 O ATOM 0 H ASP A 38 19.054 -12.993 1.992 1.00 53.22 H new ATOM 0 HA ASP A 38 21.165 -12.175 3.833 1.00 64.20 H new ATOM 0 HB2 ASP A 38 22.101 -14.434 3.113 1.00 4.23 H new ATOM 0 HB3 ASP A 38 20.569 -14.477 3.964 1.00 4.23 H new ATOM 542 N ILE A 39 22.624 -11.086 2.154 1.00 44.11 N ATOM 543 CA ILE A 39 23.595 -10.509 1.232 1.00 61.41 C ATOM 544 C ILE A 39 23.065 -10.515 -0.198 1.00 45.31 C ATOM 545 O ILE A 39 23.811 -10.757 -1.148 1.00 21.22 O ATOM 546 CB ILE A 39 24.933 -11.271 1.275 1.00 42.53 C ATOM 547 CG1 ILE A 39 25.992 -10.531 0.454 1.00 70.21 C ATOM 548 CG2 ILE A 39 24.752 -12.690 0.759 1.00 33.31 C ATOM 549 CD1 ILE A 39 27.136 -9.995 1.286 1.00 60.41 C ATOM 0 H ILE A 39 22.558 -10.606 3.052 1.00 44.11 H new ATOM 0 HA ILE A 39 23.762 -9.480 1.551 1.00 61.41 H new ATOM 0 HB ILE A 39 25.272 -11.323 2.310 1.00 42.53 H new ATOM 0 HG12 ILE A 39 26.390 -11.206 -0.304 1.00 70.21 H new ATOM 0 HG13 ILE A 39 25.518 -9.703 -0.074 1.00 70.21 H new ATOM 0 HG21 ILE A 39 25.706 -13.215 0.796 1.00 33.31 H new ATOM 0 HG22 ILE A 39 24.026 -13.213 1.381 1.00 33.31 H new ATOM 0 HG23 ILE A 39 24.394 -12.660 -0.270 1.00 33.31 H new ATOM 0 HD11 ILE A 39 27.848 -9.483 0.639 1.00 60.41 H new ATOM 0 HD12 ILE A 39 26.750 -9.295 2.027 1.00 60.41 H new ATOM 0 HD13 ILE A 39 27.635 -10.821 1.793 1.00 60.41 H new ATOM 561 N THR A 40 21.772 -10.244 -0.346 1.00 3.24 N ATOM 562 CA THR A 40 21.142 -10.217 -1.659 1.00 41.54 C ATOM 563 C THR A 40 21.689 -9.074 -2.508 1.00 20.31 C ATOM 564 O THR A 40 21.905 -9.230 -3.710 1.00 4.31 O ATOM 565 CB THR A 40 19.613 -10.070 -1.546 1.00 71.10 C ATOM 566 OG1 THR A 40 19.066 -11.183 -0.830 1.00 71.11 O ATOM 567 CG2 THR A 40 18.974 -9.983 -2.924 1.00 30.42 C ATOM 0 H THR A 40 21.141 -10.040 0.429 1.00 3.24 H new ATOM 0 HA THR A 40 21.374 -11.167 -2.140 1.00 41.54 H new ATOM 0 HB THR A 40 19.398 -9.149 -1.005 1.00 71.10 H new ATOM 0 HG1 THR A 40 18.155 -11.359 -1.145 1.00 71.11 H new ATOM 0 HG21 THR A 40 17.894 -9.880 -2.818 1.00 30.42 H new ATOM 0 HG22 THR A 40 19.371 -9.118 -3.455 1.00 30.42 H new ATOM 0 HG23 THR A 40 19.198 -10.889 -3.487 1.00 30.42 H new ATOM 575 N ASP A 41 21.911 -7.928 -1.875 1.00 42.53 N ATOM 576 CA ASP A 41 22.435 -6.759 -2.572 1.00 41.34 C ATOM 577 C ASP A 41 23.922 -6.924 -2.868 1.00 65.04 C ATOM 578 O ASP A 41 24.487 -6.195 -3.683 1.00 1.50 O ATOM 579 CB ASP A 41 22.205 -5.496 -1.740 1.00 63.31 C ATOM 580 CG ASP A 41 21.215 -4.548 -2.388 1.00 24.13 C ATOM 581 OD1 ASP A 41 20.040 -4.938 -2.549 1.00 41.44 O ATOM 582 OD2 ASP A 41 21.616 -3.417 -2.734 1.00 1.23 O ATOM 0 H ASP A 41 21.736 -7.783 -0.881 1.00 42.53 H new ATOM 0 HA ASP A 41 21.903 -6.663 -3.518 1.00 41.34 H new ATOM 0 HB2 ASP A 41 21.841 -5.777 -0.752 1.00 63.31 H new ATOM 0 HB3 ASP A 41 23.155 -4.982 -1.596 1.00 63.31 H new ATOM 587 N GLN A 42 24.550 -7.887 -2.200 1.00 41.55 N ATOM 588 CA GLN A 42 25.972 -8.146 -2.391 1.00 43.42 C ATOM 589 C GLN A 42 26.808 -6.948 -1.952 1.00 14.35 C ATOM 590 O GLN A 42 27.179 -6.104 -2.767 1.00 41.22 O ATOM 591 CB GLN A 42 26.261 -8.473 -3.857 1.00 55.24 C ATOM 592 CG GLN A 42 25.301 -9.489 -4.454 1.00 74.40 C ATOM 593 CD GLN A 42 25.644 -9.845 -5.887 1.00 70.30 C ATOM 594 OE1 GLN A 42 26.644 -10.515 -6.150 1.00 55.42 O ATOM 595 NE2 GLN A 42 24.815 -9.399 -6.823 1.00 51.32 N ATOM 0 H GLN A 42 24.097 -8.500 -1.522 1.00 41.55 H new ATOM 0 HA GLN A 42 26.244 -9.002 -1.774 1.00 43.42 H new ATOM 0 HB2 GLN A 42 26.214 -7.554 -4.442 1.00 55.24 H new ATOM 0 HB3 GLN A 42 27.279 -8.854 -3.942 1.00 55.24 H new ATOM 0 HG2 GLN A 42 25.312 -10.394 -3.846 1.00 74.40 H new ATOM 0 HG3 GLN A 42 24.287 -9.091 -4.415 1.00 74.40 H new ATOM 0 HE21 GLN A 42 23.998 -8.847 -6.560 1.00 51.32 H new ATOM 0 HE22 GLN A 42 24.995 -9.608 -7.805 1.00 51.32 H new ATOM 604 N VAL A 43 27.100 -6.879 -0.656 1.00 74.45 N ATOM 605 CA VAL A 43 27.892 -5.785 -0.108 1.00 72.11 C ATOM 606 C VAL A 43 29.315 -5.809 -0.655 1.00 54.20 C ATOM 607 O VAL A 43 29.905 -6.874 -0.837 1.00 32.32 O ATOM 608 CB VAL A 43 27.944 -5.846 1.430 1.00 13.21 C ATOM 609 CG1 VAL A 43 28.597 -4.592 1.992 1.00 34.34 C ATOM 610 CG2 VAL A 43 26.547 -6.032 2.003 1.00 31.20 C ATOM 0 H VAL A 43 26.799 -7.568 0.033 1.00 74.45 H new ATOM 0 HA VAL A 43 27.405 -4.858 -0.411 1.00 72.11 H new ATOM 0 HB VAL A 43 28.549 -6.704 1.722 1.00 13.21 H new ATOM 0 HG11 VAL A 43 28.625 -4.653 3.080 1.00 34.34 H new ATOM 0 HG12 VAL A 43 29.613 -4.507 1.607 1.00 34.34 H new ATOM 0 HG13 VAL A 43 28.021 -3.716 1.692 1.00 34.34 H new ATOM 0 HG21 VAL A 43 26.602 -6.073 3.091 1.00 31.20 H new ATOM 0 HG22 VAL A 43 25.916 -5.195 1.703 1.00 31.20 H new ATOM 0 HG23 VAL A 43 26.120 -6.961 1.626 1.00 31.20 H new ATOM 620 N THR A 44 29.862 -4.626 -0.916 1.00 43.21 N ATOM 621 CA THR A 44 31.216 -4.510 -1.443 1.00 41.11 C ATOM 622 C THR A 44 32.253 -4.745 -0.351 1.00 62.40 C ATOM 623 O THR A 44 32.365 -3.961 0.591 1.00 34.44 O ATOM 624 CB THR A 44 31.457 -3.125 -2.074 1.00 32.40 C ATOM 625 OG1 THR A 44 30.658 -2.139 -1.411 1.00 32.31 O ATOM 626 CG2 THR A 44 31.123 -3.142 -3.558 1.00 40.41 C ATOM 0 H THR A 44 29.388 -3.735 -0.771 1.00 43.21 H new ATOM 0 HA THR A 44 31.322 -5.275 -2.212 1.00 41.11 H new ATOM 0 HB THR A 44 32.512 -2.875 -1.958 1.00 32.40 H new ATOM 0 HG1 THR A 44 30.818 -1.261 -1.817 1.00 32.31 H new ATOM 0 HG21 THR A 44 31.301 -2.154 -3.982 1.00 40.41 H new ATOM 0 HG22 THR A 44 31.753 -3.873 -4.064 1.00 40.41 H new ATOM 0 HG23 THR A 44 30.075 -3.411 -3.692 1.00 40.41 H new ATOM 634 N TRP A 45 33.010 -5.828 -0.484 1.00 61.45 N ATOM 635 CA TRP A 45 34.040 -6.166 0.492 1.00 74.10 C ATOM 636 C TRP A 45 35.413 -5.707 0.016 1.00 42.42 C ATOM 637 O TRP A 45 35.795 -5.946 -1.130 1.00 23.12 O ATOM 638 CB TRP A 45 34.053 -7.674 0.748 1.00 2.05 C ATOM 639 CG TRP A 45 34.150 -8.489 -0.506 1.00 31.04 C ATOM 640 CD1 TRP A 45 35.286 -8.796 -1.198 1.00 44.31 C ATOM 641 CD2 TRP A 45 33.067 -9.099 -1.217 1.00 24.34 C ATOM 642 NE1 TRP A 45 34.975 -9.560 -2.297 1.00 5.11 N ATOM 643 CE2 TRP A 45 33.621 -9.761 -2.330 1.00 51.13 C ATOM 644 CE3 TRP A 45 31.685 -9.153 -1.020 1.00 30.10 C ATOM 645 CZ2 TRP A 45 32.839 -10.465 -3.242 1.00 12.11 C ATOM 646 CZ3 TRP A 45 30.910 -9.852 -1.926 1.00 20.02 C ATOM 647 CH2 TRP A 45 31.488 -10.501 -3.025 1.00 1.00 C ATOM 0 H TRP A 45 32.930 -6.487 -1.258 1.00 61.45 H new ATOM 0 HA TRP A 45 33.808 -5.648 1.423 1.00 74.10 H new ATOM 0 HB2 TRP A 45 34.894 -7.918 1.397 1.00 2.05 H new ATOM 0 HB3 TRP A 45 33.146 -7.952 1.284 1.00 2.05 H new ATOM 0 HD1 TRP A 45 36.283 -8.484 -0.922 1.00 44.31 H new ATOM 0 HE1 TRP A 45 35.644 -9.919 -2.978 1.00 5.11 H new ATOM 0 HE3 TRP A 45 31.230 -8.657 -0.175 1.00 30.10 H new ATOM 0 HZ2 TRP A 45 33.283 -10.965 -4.090 1.00 12.11 H new ATOM 0 HZ3 TRP A 45 29.840 -9.899 -1.784 1.00 20.02 H new ATOM 0 HH2 TRP A 45 30.855 -11.040 -3.714 1.00 1.00 H new ATOM 658 N ASP A 46 36.151 -5.046 0.901 1.00 21.22 N ATOM 659 CA ASP A 46 37.484 -4.554 0.571 1.00 74.30 C ATOM 660 C ASP A 46 38.387 -4.566 1.800 1.00 63.31 C ATOM 661 O ASP A 46 37.933 -4.331 2.919 1.00 13.43 O ATOM 662 CB ASP A 46 37.400 -3.139 -0.002 1.00 44.15 C ATOM 663 CG ASP A 46 38.768 -2.537 -0.260 1.00 71.33 C ATOM 664 OD1 ASP A 46 39.643 -3.257 -0.785 1.00 30.34 O ATOM 665 OD2 ASP A 46 38.963 -1.347 0.063 1.00 3.20 O ATOM 0 H ASP A 46 35.849 -4.838 1.853 1.00 21.22 H new ATOM 0 HA ASP A 46 37.914 -5.217 -0.180 1.00 74.30 H new ATOM 0 HB2 ASP A 46 36.834 -3.160 -0.933 1.00 44.15 H new ATOM 0 HB3 ASP A 46 36.850 -2.502 0.691 1.00 44.15 H new ATOM 670 N SER A 47 39.669 -4.843 1.583 1.00 21.50 N ATOM 671 CA SER A 47 40.636 -4.891 2.674 1.00 70.25 C ATOM 672 C SER A 47 41.835 -3.997 2.376 1.00 44.43 C ATOM 673 O SER A 47 42.210 -3.807 1.219 1.00 51.44 O ATOM 674 CB SER A 47 41.103 -6.329 2.906 1.00 24.33 C ATOM 675 OG SER A 47 41.975 -6.408 4.021 1.00 60.12 O ATOM 0 H SER A 47 40.062 -5.038 0.662 1.00 21.50 H new ATOM 0 HA SER A 47 40.147 -4.525 3.577 1.00 70.25 H new ATOM 0 HB2 SER A 47 40.239 -6.973 3.069 1.00 24.33 H new ATOM 0 HB3 SER A 47 41.612 -6.698 2.015 1.00 24.33 H new ATOM 0 HG SER A 47 41.993 -7.328 4.357 1.00 60.12 H new ATOM 681 N SER A 48 42.434 -3.449 3.429 1.00 35.30 N ATOM 682 CA SER A 48 43.588 -2.571 3.282 1.00 64.24 C ATOM 683 C SER A 48 44.878 -3.381 3.190 1.00 3.24 C ATOM 684 O SER A 48 44.848 -4.604 3.059 1.00 44.42 O ATOM 685 CB SER A 48 43.667 -1.596 4.457 1.00 2.35 C ATOM 686 OG SER A 48 44.440 -0.456 4.123 1.00 13.44 O ATOM 0 H SER A 48 42.138 -3.598 4.394 1.00 35.30 H new ATOM 0 HA SER A 48 43.468 -2.005 2.358 1.00 64.24 H new ATOM 0 HB2 SER A 48 42.662 -1.286 4.745 1.00 2.35 H new ATOM 0 HB3 SER A 48 44.106 -2.097 5.320 1.00 2.35 H new ATOM 0 HG SER A 48 44.474 0.153 4.890 1.00 13.44 H new ATOM 692 N ASN A 49 46.010 -2.688 3.261 1.00 24.24 N ATOM 693 CA ASN A 49 47.312 -3.342 3.186 1.00 1.44 C ATOM 694 C ASN A 49 47.506 -4.013 1.830 1.00 22.33 C ATOM 695 O ASN A 49 46.571 -4.116 1.036 1.00 41.35 O ATOM 696 CB ASN A 49 47.452 -4.376 4.305 1.00 1.01 C ATOM 697 CG ASN A 49 48.755 -4.230 5.068 1.00 72.24 C ATOM 698 OD1 ASN A 49 49.737 -4.912 4.776 1.00 64.12 O ATOM 699 ND2 ASN A 49 48.768 -3.338 6.051 1.00 12.10 N ATOM 0 H ASN A 49 46.052 -1.675 3.370 1.00 24.24 H new ATOM 0 HA ASN A 49 48.082 -2.580 3.307 1.00 1.44 H new ATOM 0 HB2 ASN A 49 46.616 -4.274 4.997 1.00 1.01 H new ATOM 0 HB3 ASN A 49 47.394 -5.378 3.880 1.00 1.01 H new ATOM 0 HD21 ASN A 49 49.616 -3.196 6.600 1.00 12.10 H new ATOM 0 HD22 ASN A 49 47.930 -2.795 6.258 1.00 12.10 H new ATOM 706 N THR A 50 48.728 -4.471 1.572 1.00 55.21 N ATOM 707 CA THR A 50 49.045 -5.132 0.313 1.00 64.13 C ATOM 708 C THR A 50 49.955 -6.335 0.538 1.00 50.45 C ATOM 709 O THR A 50 50.695 -6.742 -0.359 1.00 15.44 O ATOM 710 CB THR A 50 49.727 -4.165 -0.674 1.00 15.24 C ATOM 711 OG1 THR A 50 49.834 -4.776 -1.964 1.00 23.20 O ATOM 712 CG2 THR A 50 51.109 -3.770 -0.177 1.00 21.12 C ATOM 0 H THR A 50 49.513 -4.396 2.219 1.00 55.21 H new ATOM 0 HA THR A 50 48.100 -5.468 -0.114 1.00 64.13 H new ATOM 0 HB THR A 50 49.115 -3.266 -0.749 1.00 15.24 H new ATOM 0 HG1 THR A 50 50.177 -5.689 -1.866 1.00 23.20 H new ATOM 0 HG21 THR A 50 51.571 -3.087 -0.890 1.00 21.12 H new ATOM 0 HG22 THR A 50 51.020 -3.278 0.791 1.00 21.12 H new ATOM 0 HG23 THR A 50 51.728 -4.662 -0.076 1.00 21.12 H new ATOM 720 N ASP A 51 49.895 -6.899 1.738 1.00 20.44 N ATOM 721 CA ASP A 51 50.713 -8.057 2.080 1.00 33.43 C ATOM 722 C ASP A 51 49.896 -9.343 1.996 1.00 62.24 C ATOM 723 O ASP A 51 50.107 -10.166 1.104 1.00 21.22 O ATOM 724 CB ASP A 51 51.295 -7.900 3.486 1.00 62.23 C ATOM 725 CG ASP A 51 52.804 -7.756 3.474 1.00 24.11 C ATOM 726 OD1 ASP A 51 53.458 -8.427 2.648 1.00 5.10 O ATOM 727 OD2 ASP A 51 53.331 -6.972 4.291 1.00 64.15 O ATOM 0 H ASP A 51 49.289 -6.574 2.491 1.00 20.44 H new ATOM 0 HA ASP A 51 51.530 -8.118 1.361 1.00 33.43 H new ATOM 0 HB2 ASP A 51 50.853 -7.026 3.964 1.00 62.23 H new ATOM 0 HB3 ASP A 51 51.020 -8.766 4.089 1.00 62.23 H new ATOM 732 N ILE A 52 48.965 -9.509 2.929 1.00 61.31 N ATOM 733 CA ILE A 52 48.118 -10.695 2.959 1.00 15.22 C ATOM 734 C ILE A 52 46.726 -10.363 3.488 1.00 4.51 C ATOM 735 O ILE A 52 46.441 -10.544 4.673 1.00 52.45 O ATOM 736 CB ILE A 52 48.734 -11.805 3.830 1.00 31.42 C ATOM 737 CG1 ILE A 52 50.164 -12.104 3.377 1.00 24.30 C ATOM 738 CG2 ILE A 52 47.879 -13.063 3.769 1.00 42.55 C ATOM 739 CD1 ILE A 52 50.854 -13.162 4.210 1.00 34.03 C ATOM 0 H ILE A 52 48.778 -8.838 3.674 1.00 61.31 H new ATOM 0 HA ILE A 52 48.039 -11.052 1.932 1.00 15.22 H new ATOM 0 HB ILE A 52 48.765 -11.460 4.864 1.00 31.42 H new ATOM 0 HG12 ILE A 52 50.147 -12.427 2.336 1.00 24.30 H new ATOM 0 HG13 ILE A 52 50.748 -11.185 3.416 1.00 24.30 H new ATOM 0 HG21 ILE A 52 48.328 -13.838 4.390 1.00 42.55 H new ATOM 0 HG22 ILE A 52 46.877 -12.840 4.135 1.00 42.55 H new ATOM 0 HG23 ILE A 52 47.819 -13.413 2.738 1.00 42.55 H new ATOM 0 HD11 ILE A 52 51.864 -13.322 3.831 1.00 34.03 H new ATOM 0 HD12 ILE A 52 50.904 -12.833 5.248 1.00 34.03 H new ATOM 0 HD13 ILE A 52 50.293 -14.094 4.152 1.00 34.03 H new ATOM 751 N LEU A 53 45.863 -9.877 2.603 1.00 64.15 N ATOM 752 CA LEU A 53 44.500 -9.521 2.979 1.00 13.00 C ATOM 753 C LEU A 53 43.485 -10.347 2.195 1.00 30.34 C ATOM 754 O LEU A 53 43.528 -10.399 0.966 1.00 11.52 O ATOM 755 CB LEU A 53 44.256 -8.030 2.738 1.00 72.33 C ATOM 756 CG LEU A 53 44.831 -7.457 1.442 1.00 23.12 C ATOM 757 CD1 LEU A 53 43.949 -6.335 0.917 1.00 64.02 C ATOM 758 CD2 LEU A 53 46.253 -6.961 1.663 1.00 31.55 C ATOM 0 H LEU A 53 46.083 -9.720 1.619 1.00 64.15 H new ATOM 0 HA LEU A 53 44.374 -9.737 4.040 1.00 13.00 H new ATOM 0 HB2 LEU A 53 43.181 -7.853 2.745 1.00 72.33 H new ATOM 0 HB3 LEU A 53 44.676 -7.473 3.576 1.00 72.33 H new ATOM 0 HG LEU A 53 44.856 -8.251 0.696 1.00 23.12 H new ATOM 0 HD11 LEU A 53 44.374 -5.940 -0.006 1.00 64.02 H new ATOM 0 HD12 LEU A 53 42.949 -6.720 0.720 1.00 64.02 H new ATOM 0 HD13 LEU A 53 43.891 -5.540 1.660 1.00 64.02 H new ATOM 0 HD21 LEU A 53 46.646 -6.557 0.730 1.00 31.55 H new ATOM 0 HD22 LEU A 53 46.252 -6.181 2.425 1.00 31.55 H new ATOM 0 HD23 LEU A 53 46.880 -7.789 1.992 1.00 31.55 H new ATOM 770 N SER A 54 42.572 -10.991 2.915 1.00 34.21 N ATOM 771 CA SER A 54 41.546 -11.817 2.287 1.00 4.43 C ATOM 772 C SER A 54 40.189 -11.591 2.946 1.00 31.42 C ATOM 773 O SER A 54 40.008 -11.871 4.132 1.00 63.02 O ATOM 774 CB SER A 54 41.929 -13.295 2.374 1.00 72.44 C ATOM 775 OG SER A 54 41.939 -13.895 1.090 1.00 60.32 O ATOM 0 H SER A 54 42.521 -10.957 3.933 1.00 34.21 H new ATOM 0 HA SER A 54 41.473 -11.529 1.238 1.00 4.43 H new ATOM 0 HB2 SER A 54 42.913 -13.393 2.832 1.00 72.44 H new ATOM 0 HB3 SER A 54 41.224 -13.819 3.019 1.00 72.44 H new ATOM 0 HG SER A 54 42.188 -14.839 1.172 1.00 60.32 H new ATOM 781 N ILE A 55 39.238 -11.084 2.169 1.00 21.10 N ATOM 782 CA ILE A 55 37.897 -10.822 2.676 1.00 52.01 C ATOM 783 C ILE A 55 36.862 -11.686 1.964 1.00 34.21 C ATOM 784 O ILE A 55 36.808 -11.724 0.735 1.00 45.41 O ATOM 785 CB ILE A 55 37.512 -9.340 2.511 1.00 4.22 C ATOM 786 CG1 ILE A 55 37.872 -8.850 1.107 1.00 70.11 C ATOM 787 CG2 ILE A 55 38.206 -8.492 3.567 1.00 31.23 C ATOM 788 CD1 ILE A 55 39.276 -8.298 1.001 1.00 41.43 C ATOM 0 H ILE A 55 39.371 -10.847 1.186 1.00 21.10 H new ATOM 0 HA ILE A 55 37.907 -11.070 3.737 1.00 52.01 H new ATOM 0 HB ILE A 55 36.435 -9.243 2.644 1.00 4.22 H new ATOM 0 HG12 ILE A 55 37.761 -9.675 0.403 1.00 70.11 H new ATOM 0 HG13 ILE A 55 37.163 -8.078 0.808 1.00 70.11 H new ATOM 0 HG21 ILE A 55 37.924 -7.447 3.437 1.00 31.23 H new ATOM 0 HG22 ILE A 55 37.905 -8.829 4.559 1.00 31.23 H new ATOM 0 HG23 ILE A 55 39.286 -8.592 3.462 1.00 31.23 H new ATOM 0 HD11 ILE A 55 39.462 -7.970 -0.022 1.00 41.43 H new ATOM 0 HD12 ILE A 55 39.387 -7.452 1.679 1.00 41.43 H new ATOM 0 HD13 ILE A 55 39.993 -9.074 1.269 1.00 41.43 H new ATOM 800 N SER A 56 36.039 -12.379 2.745 1.00 12.44 N ATOM 801 CA SER A 56 35.005 -13.245 2.190 1.00 3.40 C ATOM 802 C SER A 56 33.629 -12.857 2.721 1.00 54.31 C ATOM 803 O SER A 56 33.337 -13.027 3.904 1.00 72.33 O ATOM 804 CB SER A 56 35.301 -14.707 2.527 1.00 73.42 C ATOM 805 OG SER A 56 36.053 -15.326 1.497 1.00 11.13 O ATOM 0 H SER A 56 36.068 -12.358 3.764 1.00 12.44 H new ATOM 0 HA SER A 56 35.005 -13.122 1.107 1.00 3.40 H new ATOM 0 HB2 SER A 56 35.851 -14.763 3.467 1.00 73.42 H new ATOM 0 HB3 SER A 56 34.365 -15.247 2.673 1.00 73.42 H new ATOM 0 HG SER A 56 36.231 -16.259 1.737 1.00 11.13 H new ATOM 811 N ASN A 57 32.786 -12.333 1.836 1.00 20.50 N ATOM 812 CA ASN A 57 31.440 -11.920 2.214 1.00 34.24 C ATOM 813 C ASN A 57 30.412 -12.425 1.206 1.00 0.00 C ATOM 814 O ASN A 57 29.404 -11.767 0.949 1.00 45.11 O ATOM 815 CB ASN A 57 31.362 -10.396 2.319 1.00 40.32 C ATOM 816 CG ASN A 57 32.067 -9.864 3.552 1.00 54.01 C ATOM 817 OD1 ASN A 57 33.041 -10.450 4.025 1.00 53.41 O ATOM 818 ND2 ASN A 57 31.575 -8.748 4.079 1.00 63.50 N ATOM 0 H ASN A 57 33.012 -12.185 0.852 1.00 20.50 H new ATOM 0 HA ASN A 57 31.213 -12.357 3.187 1.00 34.24 H new ATOM 0 HB2 ASN A 57 31.806 -9.950 1.429 1.00 40.32 H new ATOM 0 HB3 ASN A 57 30.316 -10.089 2.341 1.00 40.32 H new ATOM 0 HD21 ASN A 57 32.007 -8.343 4.910 1.00 63.50 H new ATOM 0 HD22 ASN A 57 30.766 -8.296 3.653 1.00 63.50 H new ATOM 825 N ALA A 58 30.675 -13.598 0.639 1.00 54.34 N ATOM 826 CA ALA A 58 29.772 -14.192 -0.339 1.00 70.43 C ATOM 827 C ALA A 58 28.927 -15.294 0.292 1.00 11.50 C ATOM 828 O ALA A 58 27.826 -15.588 -0.173 1.00 13.32 O ATOM 829 CB ALA A 58 30.560 -14.740 -1.520 1.00 72.30 C ATOM 0 H ALA A 58 31.505 -14.155 0.840 1.00 54.34 H new ATOM 0 HA ALA A 58 29.098 -13.413 -0.695 1.00 70.43 H new ATOM 0 HB1 ALA A 58 29.873 -15.181 -2.243 1.00 72.30 H new ATOM 0 HB2 ALA A 58 31.115 -13.931 -1.994 1.00 72.30 H new ATOM 0 HB3 ALA A 58 31.257 -15.502 -1.170 1.00 72.30 H new ATOM 835 N SER A 59 29.450 -15.900 1.353 1.00 11.41 N ATOM 836 CA SER A 59 28.745 -16.972 2.046 1.00 70.15 C ATOM 837 C SER A 59 27.355 -16.517 2.480 1.00 41.31 C ATOM 838 O SER A 59 26.381 -17.260 2.360 1.00 53.42 O ATOM 839 CB SER A 59 29.546 -17.434 3.264 1.00 65.41 C ATOM 840 OG SER A 59 30.934 -17.467 2.979 1.00 3.51 O ATOM 0 H SER A 59 30.360 -15.667 1.752 1.00 11.41 H new ATOM 0 HA SER A 59 28.635 -17.807 1.354 1.00 70.15 H new ATOM 0 HB2 SER A 59 29.359 -16.762 4.102 1.00 65.41 H new ATOM 0 HB3 SER A 59 29.211 -18.425 3.569 1.00 65.41 H new ATOM 0 HG SER A 59 31.335 -16.603 3.207 1.00 3.51 H new ATOM 846 N ASP A 60 27.272 -15.291 2.985 1.00 3.10 N ATOM 847 CA ASP A 60 26.002 -14.734 3.437 1.00 64.40 C ATOM 848 C ASP A 60 26.186 -13.310 3.952 1.00 32.44 C ATOM 849 O ASP A 60 27.238 -12.700 3.760 1.00 75.54 O ATOM 850 CB ASP A 60 25.397 -15.613 4.533 1.00 4.21 C ATOM 851 CG ASP A 60 23.959 -15.992 4.243 1.00 73.53 C ATOM 852 OD1 ASP A 60 23.719 -16.668 3.221 1.00 74.34 O ATOM 853 OD2 ASP A 60 23.073 -15.613 5.037 1.00 54.00 O ATOM 0 H ASP A 60 28.069 -14.664 3.092 1.00 3.10 H new ATOM 0 HA ASP A 60 25.321 -14.708 2.586 1.00 64.40 H new ATOM 0 HB2 ASP A 60 25.994 -16.519 4.639 1.00 4.21 H new ATOM 0 HB3 ASP A 60 25.446 -15.086 5.486 1.00 4.21 H new ATOM 858 N SER A 61 25.155 -12.786 4.608 1.00 60.22 N ATOM 859 CA SER A 61 25.201 -11.432 5.147 1.00 74.12 C ATOM 860 C SER A 61 26.462 -11.221 5.978 1.00 1.45 C ATOM 861 O SER A 61 27.215 -10.272 5.755 1.00 64.41 O ATOM 862 CB SER A 61 23.961 -11.158 6.001 1.00 62.50 C ATOM 863 OG SER A 61 24.297 -10.428 7.168 1.00 41.22 O ATOM 0 H SER A 61 24.278 -13.279 4.779 1.00 60.22 H new ATOM 0 HA SER A 61 25.218 -10.734 4.310 1.00 74.12 H new ATOM 0 HB2 SER A 61 23.229 -10.600 5.417 1.00 62.50 H new ATOM 0 HB3 SER A 61 23.492 -12.102 6.281 1.00 62.50 H new ATOM 0 HG SER A 61 23.497 -9.981 7.516 1.00 41.22 H new ATOM 869 N HIS A 62 26.686 -12.111 6.940 1.00 60.35 N ATOM 870 CA HIS A 62 27.856 -12.024 7.805 1.00 5.34 C ATOM 871 C HIS A 62 29.134 -11.897 6.981 1.00 51.30 C ATOM 872 O HIS A 62 29.395 -12.708 6.094 1.00 24.10 O ATOM 873 CB HIS A 62 27.940 -13.253 8.711 1.00 2.31 C ATOM 874 CG HIS A 62 28.107 -14.539 7.962 1.00 43.33 C ATOM 875 ND1 HIS A 62 29.338 -15.101 7.697 1.00 22.23 N ATOM 876 CD2 HIS A 62 27.190 -15.374 7.421 1.00 54.22 C ATOM 877 CE1 HIS A 62 29.171 -16.226 7.025 1.00 55.23 C ATOM 878 NE2 HIS A 62 27.876 -16.414 6.844 1.00 33.43 N ATOM 0 H HIS A 62 26.072 -12.901 7.140 1.00 60.35 H new ATOM 0 HA HIS A 62 27.753 -11.132 8.423 1.00 5.34 H new ATOM 0 HB2 HIS A 62 28.777 -13.131 9.398 1.00 2.31 H new ATOM 0 HB3 HIS A 62 27.036 -13.310 9.317 1.00 2.31 H new ATOM 0 HD2 HIS A 62 26.118 -15.246 7.440 1.00 54.22 H new ATOM 0 HE1 HIS A 62 29.959 -16.880 6.682 1.00 55.23 H new ATOM 0 HE2 HIS A 62 27.454 -17.204 6.355 1.00 33.43 H new ATOM 886 N GLY A 63 29.926 -10.872 7.280 1.00 4.40 N ATOM 887 CA GLY A 63 31.166 -10.657 6.557 1.00 41.21 C ATOM 888 C GLY A 63 32.379 -11.131 7.332 1.00 3.55 C ATOM 889 O GLY A 63 32.638 -10.662 8.442 1.00 31.41 O ATOM 0 H GLY A 63 29.731 -10.187 8.010 1.00 4.40 H new ATOM 0 HA2 GLY A 63 31.122 -11.181 5.602 1.00 41.21 H new ATOM 0 HA3 GLY A 63 31.273 -9.596 6.334 1.00 41.21 H new ATOM 893 N LEU A 64 33.125 -12.063 6.750 1.00 51.34 N ATOM 894 CA LEU A 64 34.317 -12.602 7.394 1.00 24.10 C ATOM 895 C LEU A 64 35.580 -11.966 6.822 1.00 3.44 C ATOM 896 O LEU A 64 35.902 -12.147 5.648 1.00 12.25 O ATOM 897 CB LEU A 64 34.373 -14.121 7.218 1.00 4.44 C ATOM 898 CG LEU A 64 33.029 -14.848 7.235 1.00 73.25 C ATOM 899 CD1 LEU A 64 32.591 -15.193 5.819 1.00 1.33 C ATOM 900 CD2 LEU A 64 33.112 -16.104 8.090 1.00 61.24 C ATOM 0 H LEU A 64 32.925 -12.461 5.833 1.00 51.34 H new ATOM 0 HA LEU A 64 34.263 -12.367 8.457 1.00 24.10 H new ATOM 0 HB2 LEU A 64 34.869 -14.339 6.272 1.00 4.44 H new ATOM 0 HB3 LEU A 64 34.998 -14.536 8.009 1.00 4.44 H new ATOM 0 HG LEU A 64 32.284 -14.184 7.673 1.00 73.25 H new ATOM 0 HD11 LEU A 64 31.632 -15.710 5.851 1.00 1.33 H new ATOM 0 HD12 LEU A 64 32.490 -14.278 5.236 1.00 1.33 H new ATOM 0 HD13 LEU A 64 33.336 -15.839 5.355 1.00 1.33 H new ATOM 0 HD21 LEU A 64 32.146 -16.608 8.090 1.00 61.24 H new ATOM 0 HD22 LEU A 64 33.870 -16.772 7.682 1.00 61.24 H new ATOM 0 HD23 LEU A 64 33.380 -15.832 9.111 1.00 61.24 H new ATOM 912 N ALA A 65 36.293 -11.221 7.661 1.00 23.23 N ATOM 913 CA ALA A 65 37.523 -10.562 7.241 1.00 42.32 C ATOM 914 C ALA A 65 38.743 -11.213 7.884 1.00 70.14 C ATOM 915 O ALA A 65 38.843 -11.294 9.108 1.00 54.12 O ATOM 916 CB ALA A 65 37.471 -9.080 7.584 1.00 65.23 C ATOM 0 H ALA A 65 36.039 -11.059 8.636 1.00 23.23 H new ATOM 0 HA ALA A 65 37.613 -10.671 6.160 1.00 42.32 H new ATOM 0 HB1 ALA A 65 38.396 -8.600 7.265 1.00 65.23 H new ATOM 0 HB2 ALA A 65 36.627 -8.618 7.072 1.00 65.23 H new ATOM 0 HB3 ALA A 65 37.353 -8.960 8.661 1.00 65.23 H new ATOM 922 N SER A 66 39.668 -11.677 7.050 1.00 25.20 N ATOM 923 CA SER A 66 40.880 -12.326 7.538 1.00 70.15 C ATOM 924 C SER A 66 42.125 -11.626 7.001 1.00 72.14 C ATOM 925 O SER A 66 42.144 -11.151 5.864 1.00 31.43 O ATOM 926 CB SER A 66 40.894 -13.800 7.129 1.00 31.42 C ATOM 927 OG SER A 66 41.525 -13.976 5.873 1.00 42.44 O ATOM 0 H SER A 66 39.602 -11.616 6.034 1.00 25.20 H new ATOM 0 HA SER A 66 40.887 -12.258 8.626 1.00 70.15 H new ATOM 0 HB2 SER A 66 41.415 -14.386 7.886 1.00 31.42 H new ATOM 0 HB3 SER A 66 39.872 -14.177 7.082 1.00 31.42 H new ATOM 0 HG SER A 66 41.131 -13.361 5.220 1.00 42.44 H new ATOM 933 N THR A 67 43.165 -11.566 7.827 1.00 52.54 N ATOM 934 CA THR A 67 44.414 -10.923 7.437 1.00 33.21 C ATOM 935 C THR A 67 45.615 -11.652 8.029 1.00 14.35 C ATOM 936 O THR A 67 45.528 -12.236 9.111 1.00 43.43 O ATOM 937 CB THR A 67 44.450 -9.449 7.883 1.00 24.43 C ATOM 938 OG1 THR A 67 45.762 -8.911 7.687 1.00 45.41 O ATOM 939 CG2 THR A 67 44.056 -9.317 9.347 1.00 41.04 C ATOM 0 H THR A 67 43.167 -11.955 8.770 1.00 52.54 H new ATOM 0 HA THR A 67 44.466 -10.966 6.349 1.00 33.21 H new ATOM 0 HB THR A 67 43.734 -8.891 7.279 1.00 24.43 H new ATOM 0 HG1 THR A 67 45.694 -8.028 7.267 1.00 45.41 H new ATOM 0 HG21 THR A 67 44.089 -8.267 9.639 1.00 41.04 H new ATOM 0 HG22 THR A 67 43.046 -9.702 9.488 1.00 41.04 H new ATOM 0 HG23 THR A 67 44.751 -9.887 9.964 1.00 41.04 H new ATOM 947 N LEU A 68 46.735 -11.614 7.316 1.00 15.41 N ATOM 948 CA LEU A 68 47.955 -12.270 7.772 1.00 31.01 C ATOM 949 C LEU A 68 49.142 -11.314 7.715 1.00 53.43 C ATOM 950 O LEU A 68 50.289 -11.722 7.886 1.00 64.34 O ATOM 951 CB LEU A 68 48.241 -13.508 6.920 1.00 51.55 C ATOM 952 CG LEU A 68 48.641 -14.771 7.683 1.00 55.32 C ATOM 953 CD1 LEU A 68 49.027 -15.879 6.716 1.00 73.13 C ATOM 954 CD2 LEU A 68 49.784 -14.475 8.642 1.00 3.20 C ATOM 0 H LEU A 68 46.823 -11.136 6.419 1.00 15.41 H new ATOM 0 HA LEU A 68 47.808 -12.575 8.808 1.00 31.01 H new ATOM 0 HB2 LEU A 68 47.352 -13.731 6.329 1.00 51.55 H new ATOM 0 HB3 LEU A 68 49.038 -13.265 6.217 1.00 51.55 H new ATOM 0 HG LEU A 68 47.783 -15.108 8.265 1.00 55.32 H new ATOM 0 HD11 LEU A 68 49.309 -16.770 7.277 1.00 73.13 H new ATOM 0 HD12 LEU A 68 48.180 -16.110 6.070 1.00 73.13 H new ATOM 0 HD13 LEU A 68 49.870 -15.553 6.106 1.00 73.13 H new ATOM 0 HD21 LEU A 68 50.055 -15.385 9.177 1.00 3.20 H new ATOM 0 HD22 LEU A 68 50.645 -14.113 8.081 1.00 3.20 H new ATOM 0 HD23 LEU A 68 49.471 -13.714 9.357 1.00 3.20 H new ATOM 966 N ASN A 69 48.856 -10.038 7.475 1.00 1.11 N ATOM 967 CA ASN A 69 49.900 -9.023 7.397 1.00 0.51 C ATOM 968 C ASN A 69 50.116 -8.359 8.754 1.00 60.11 C ATOM 969 O ASN A 69 49.317 -8.532 9.674 1.00 62.11 O ATOM 970 CB ASN A 69 49.536 -7.966 6.352 1.00 14.24 C ATOM 971 CG ASN A 69 48.599 -6.908 6.903 1.00 53.24 C ATOM 972 OD1 ASN A 69 47.378 -7.030 6.800 1.00 40.53 O ATOM 973 ND2 ASN A 69 49.168 -5.862 7.491 1.00 52.02 N ATOM 0 H ASN A 69 47.911 -9.683 7.331 1.00 1.11 H new ATOM 0 HA ASN A 69 50.827 -9.513 7.100 1.00 0.51 H new ATOM 0 HB2 ASN A 69 50.446 -7.488 5.990 1.00 14.24 H new ATOM 0 HB3 ASN A 69 49.068 -8.452 5.496 1.00 14.24 H new ATOM 0 HD21 ASN A 69 48.589 -5.118 7.880 1.00 52.02 H new ATOM 0 HD22 ASN A 69 50.184 -5.803 7.554 1.00 52.02 H new ATOM 980 N GLN A 70 51.200 -7.599 8.869 1.00 25.40 N ATOM 981 CA GLN A 70 51.521 -6.910 10.113 1.00 22.13 C ATOM 982 C GLN A 70 51.424 -5.398 9.939 1.00 64.13 C ATOM 983 O GLN A 70 52.092 -4.818 9.084 1.00 41.12 O ATOM 984 CB GLN A 70 52.925 -7.292 10.585 1.00 22.13 C ATOM 985 CG GLN A 70 54.021 -6.921 9.599 1.00 54.21 C ATOM 986 CD GLN A 70 55.350 -7.570 9.931 1.00 13.33 C ATOM 987 OE1 GLN A 70 55.766 -8.528 9.280 1.00 32.40 O ATOM 988 NE2 GLN A 70 56.025 -7.049 10.950 1.00 73.34 N ATOM 0 H GLN A 70 51.871 -7.445 8.116 1.00 25.40 H new ATOM 0 HA GLN A 70 50.796 -7.218 10.866 1.00 22.13 H new ATOM 0 HB2 GLN A 70 53.124 -6.802 11.538 1.00 22.13 H new ATOM 0 HB3 GLN A 70 52.959 -8.366 10.765 1.00 22.13 H new ATOM 0 HG2 GLN A 70 53.717 -7.218 8.595 1.00 54.21 H new ATOM 0 HG3 GLN A 70 54.143 -5.838 9.588 1.00 54.21 H new ATOM 0 HE21 GLN A 70 55.642 -6.254 11.462 1.00 73.34 H new ATOM 0 HE22 GLN A 70 56.926 -7.444 11.220 1.00 73.34 H new ATOM 997 N GLY A 71 50.587 -4.765 10.755 1.00 22.22 N ATOM 998 CA GLY A 71 50.418 -3.326 10.674 1.00 30.22 C ATOM 999 C GLY A 71 49.004 -2.889 11.003 1.00 61.34 C ATOM 1000 O GLY A 71 48.469 -3.236 12.054 1.00 32.44 O ATOM 0 H GLY A 71 50.023 -5.223 11.471 1.00 22.22 H new ATOM 0 HA2 GLY A 71 51.113 -2.842 11.360 1.00 30.22 H new ATOM 0 HA3 GLY A 71 50.675 -2.989 9.670 1.00 30.22 H new ATOM 1004 N ASN A 72 48.398 -2.124 10.101 1.00 44.14 N ATOM 1005 CA ASN A 72 47.038 -1.637 10.301 1.00 4.21 C ATOM 1006 C ASN A 72 46.183 -1.887 9.063 1.00 40.53 C ATOM 1007 O ASN A 72 46.589 -1.578 7.942 1.00 30.50 O ATOM 1008 CB ASN A 72 47.053 -0.143 10.632 1.00 70.02 C ATOM 1009 CG ASN A 72 47.247 0.720 9.400 1.00 23.00 C ATOM 1010 OD1 ASN A 72 46.303 1.335 8.904 1.00 61.20 O ATOM 1011 ND2 ASN A 72 48.477 0.769 8.900 1.00 13.12 N ATOM 0 H ASN A 72 48.827 -1.828 9.224 1.00 44.14 H new ATOM 0 HA ASN A 72 46.602 -2.183 11.137 1.00 4.21 H new ATOM 0 HB2 ASN A 72 46.116 0.128 11.118 1.00 70.02 H new ATOM 0 HB3 ASN A 72 47.852 0.061 11.344 1.00 70.02 H new ATOM 0 HD21 ASN A 72 48.669 1.333 8.072 1.00 13.12 H new ATOM 0 HD22 ASN A 72 49.229 0.243 9.344 1.00 13.12 H new ATOM 1018 N VAL A 73 44.996 -2.447 9.273 1.00 10.51 N ATOM 1019 CA VAL A 73 44.082 -2.736 8.175 1.00 71.32 C ATOM 1020 C VAL A 73 42.658 -2.312 8.518 1.00 23.32 C ATOM 1021 O VAL A 73 42.215 -2.452 9.658 1.00 34.01 O ATOM 1022 CB VAL A 73 44.088 -4.235 7.820 1.00 20.21 C ATOM 1023 CG1 VAL A 73 43.121 -4.518 6.681 1.00 70.43 C ATOM 1024 CG2 VAL A 73 45.494 -4.692 7.463 1.00 43.12 C ATOM 0 H VAL A 73 44.645 -2.710 10.194 1.00 10.51 H new ATOM 0 HA VAL A 73 44.430 -2.165 7.315 1.00 71.32 H new ATOM 0 HB VAL A 73 43.758 -4.799 8.693 1.00 20.21 H new ATOM 0 HG11 VAL A 73 43.139 -5.582 6.444 1.00 70.43 H new ATOM 0 HG12 VAL A 73 42.113 -4.230 6.979 1.00 70.43 H new ATOM 0 HG13 VAL A 73 43.417 -3.946 5.802 1.00 70.43 H new ATOM 0 HG21 VAL A 73 45.480 -5.753 7.215 1.00 43.12 H new ATOM 0 HG22 VAL A 73 45.855 -4.124 6.606 1.00 43.12 H new ATOM 0 HG23 VAL A 73 46.157 -4.527 8.312 1.00 43.12 H new ATOM 1034 N LYS A 74 41.945 -1.794 7.524 1.00 4.31 N ATOM 1035 CA LYS A 74 40.570 -1.350 7.719 1.00 61.14 C ATOM 1036 C LYS A 74 39.649 -1.956 6.665 1.00 73.21 C ATOM 1037 O LYS A 74 39.910 -1.856 5.466 1.00 73.21 O ATOM 1038 CB LYS A 74 40.492 0.177 7.662 1.00 42.23 C ATOM 1039 CG LYS A 74 40.038 0.812 8.965 1.00 43.13 C ATOM 1040 CD LYS A 74 41.055 0.597 10.074 1.00 75.14 C ATOM 1041 CE LYS A 74 40.846 1.576 11.218 1.00 1.44 C ATOM 1042 NZ LYS A 74 42.064 1.707 12.065 1.00 30.14 N ATOM 0 H LYS A 74 42.297 -1.671 6.575 1.00 4.31 H new ATOM 0 HA LYS A 74 40.241 -1.688 8.702 1.00 61.14 H new ATOM 0 HB2 LYS A 74 41.472 0.573 7.397 1.00 42.23 H new ATOM 0 HB3 LYS A 74 39.805 0.468 6.867 1.00 42.23 H new ATOM 0 HG2 LYS A 74 39.882 1.880 8.815 1.00 43.13 H new ATOM 0 HG3 LYS A 74 39.079 0.388 9.263 1.00 43.13 H new ATOM 0 HD2 LYS A 74 40.977 -0.424 10.448 1.00 75.14 H new ATOM 0 HD3 LYS A 74 42.062 0.713 9.673 1.00 75.14 H new ATOM 0 HE2 LYS A 74 40.577 2.553 10.816 1.00 1.44 H new ATOM 0 HE3 LYS A 74 40.010 1.243 11.833 1.00 1.44 H new ATOM 0 HZ1 LYS A 74 41.865 2.344 12.863 1.00 30.14 H new ATOM 0 HZ2 LYS A 74 42.336 0.771 12.428 1.00 30.14 H new ATOM 0 HZ3 LYS A 74 42.842 2.097 11.496 1.00 30.14 H new ATOM 1056 N VAL A 75 38.569 -2.584 7.120 1.00 70.11 N ATOM 1057 CA VAL A 75 37.607 -3.204 6.216 1.00 4.02 C ATOM 1058 C VAL A 75 36.496 -2.229 5.844 1.00 72.33 C ATOM 1059 O VAL A 75 35.943 -1.542 6.703 1.00 1.22 O ATOM 1060 CB VAL A 75 36.981 -4.465 6.841 1.00 5.25 C ATOM 1061 CG1 VAL A 75 35.960 -5.079 5.897 1.00 54.43 C ATOM 1062 CG2 VAL A 75 38.062 -5.474 7.200 1.00 50.21 C ATOM 0 H VAL A 75 38.338 -2.677 8.109 1.00 70.11 H new ATOM 0 HA VAL A 75 38.154 -3.487 5.317 1.00 4.02 H new ATOM 0 HB VAL A 75 36.465 -4.177 7.757 1.00 5.25 H new ATOM 0 HG11 VAL A 75 35.529 -5.969 6.356 1.00 54.43 H new ATOM 0 HG12 VAL A 75 35.170 -4.356 5.695 1.00 54.43 H new ATOM 0 HG13 VAL A 75 36.448 -5.354 4.962 1.00 54.43 H new ATOM 0 HG21 VAL A 75 37.602 -6.359 7.640 1.00 50.21 H new ATOM 0 HG22 VAL A 75 38.608 -5.758 6.300 1.00 50.21 H new ATOM 0 HG23 VAL A 75 38.752 -5.029 7.917 1.00 50.21 H new ATOM 1072 N THR A 76 36.171 -2.174 4.556 1.00 62.43 N ATOM 1073 CA THR A 76 35.126 -1.284 4.068 1.00 12.42 C ATOM 1074 C THR A 76 33.959 -2.072 3.485 1.00 30.41 C ATOM 1075 O THR A 76 34.147 -2.935 2.628 1.00 64.00 O ATOM 1076 CB THR A 76 35.665 -0.318 2.996 1.00 61.43 C ATOM 1077 OG1 THR A 76 37.053 -0.055 3.228 1.00 44.34 O ATOM 1078 CG2 THR A 76 34.887 0.989 3.004 1.00 62.12 C ATOM 0 H THR A 76 36.618 -2.736 3.832 1.00 62.43 H new ATOM 0 HA THR A 76 34.779 -0.707 4.925 1.00 12.42 H new ATOM 0 HB THR A 76 35.543 -0.788 2.020 1.00 61.43 H new ATOM 0 HG1 THR A 76 37.389 0.558 2.542 1.00 44.34 H new ATOM 0 HG21 THR A 76 35.286 1.655 2.239 1.00 62.12 H new ATOM 0 HG22 THR A 76 33.836 0.788 2.798 1.00 62.12 H new ATOM 0 HG23 THR A 76 34.981 1.462 3.981 1.00 62.12 H new ATOM 1086 N ALA A 77 32.753 -1.771 3.955 1.00 40.50 N ATOM 1087 CA ALA A 77 31.555 -2.450 3.478 1.00 41.04 C ATOM 1088 C ALA A 77 30.359 -1.504 3.455 1.00 5.20 C ATOM 1089 O ALA A 77 30.116 -0.773 4.415 1.00 34.44 O ATOM 1090 CB ALA A 77 31.255 -3.663 4.346 1.00 14.40 C ATOM 0 H ALA A 77 32.580 -1.061 4.666 1.00 40.50 H new ATOM 0 HA ALA A 77 31.739 -2.784 2.457 1.00 41.04 H new ATOM 0 HB1 ALA A 77 30.358 -4.161 3.978 1.00 14.40 H new ATOM 0 HB2 ALA A 77 32.096 -4.355 4.307 1.00 14.40 H new ATOM 0 HB3 ALA A 77 31.096 -3.343 5.376 1.00 14.40 H new ATOM 1096 N SER A 78 29.617 -1.522 2.352 1.00 3.45 N ATOM 1097 CA SER A 78 28.449 -0.661 2.203 1.00 22.43 C ATOM 1098 C SER A 78 27.381 -1.339 1.350 1.00 1.13 C ATOM 1099 O SER A 78 27.690 -1.990 0.352 1.00 73.31 O ATOM 1100 CB SER A 78 28.850 0.674 1.573 1.00 20.13 C ATOM 1101 OG SER A 78 29.165 0.516 0.201 1.00 52.13 O ATOM 0 H SER A 78 29.804 -2.123 1.549 1.00 3.45 H new ATOM 0 HA SER A 78 28.035 -0.476 3.194 1.00 22.43 H new ATOM 0 HB2 SER A 78 28.036 1.390 1.682 1.00 20.13 H new ATOM 0 HB3 SER A 78 29.710 1.086 2.102 1.00 20.13 H new ATOM 0 HG SER A 78 29.416 1.384 -0.179 1.00 52.13 H new ATOM 1107 N ILE A 79 26.124 -1.180 1.751 1.00 23.33 N ATOM 1108 CA ILE A 79 25.010 -1.775 1.024 1.00 60.21 C ATOM 1109 C ILE A 79 23.858 -0.787 0.879 1.00 13.04 C ATOM 1110 O ILE A 79 23.368 -0.240 1.866 1.00 11.34 O ATOM 1111 CB ILE A 79 24.496 -3.047 1.724 1.00 70.25 C ATOM 1112 CG1 ILE A 79 23.323 -3.645 0.945 1.00 73.34 C ATOM 1113 CG2 ILE A 79 24.085 -2.735 3.155 1.00 74.14 C ATOM 1114 CD1 ILE A 79 22.863 -4.984 1.478 1.00 61.22 C ATOM 0 H ILE A 79 25.852 -0.644 2.575 1.00 23.33 H new ATOM 0 HA ILE A 79 25.384 -2.041 0.035 1.00 60.21 H new ATOM 0 HB ILE A 79 25.302 -3.781 1.750 1.00 70.25 H new ATOM 0 HG12 ILE A 79 22.487 -2.946 0.970 1.00 73.34 H new ATOM 0 HG13 ILE A 79 23.612 -3.759 -0.100 1.00 73.34 H new ATOM 0 HG21 ILE A 79 23.724 -3.644 3.636 1.00 74.14 H new ATOM 0 HG22 ILE A 79 24.944 -2.350 3.705 1.00 74.14 H new ATOM 0 HG23 ILE A 79 23.292 -1.987 3.151 1.00 74.14 H new ATOM 0 HD11 ILE A 79 22.029 -5.348 0.878 1.00 61.22 H new ATOM 0 HD12 ILE A 79 23.685 -5.698 1.427 1.00 61.22 H new ATOM 0 HD13 ILE A 79 22.543 -4.873 2.514 1.00 61.22 H new ATOM 1126 N GLY A 80 23.428 -0.564 -0.359 1.00 34.40 N ATOM 1127 CA GLY A 80 22.335 0.356 -0.610 1.00 55.54 C ATOM 1128 C GLY A 80 22.575 1.723 0.001 1.00 63.34 C ATOM 1129 O GLY A 80 23.330 2.529 -0.542 1.00 22.34 O ATOM 0 H GLY A 80 23.817 -1.004 -1.193 1.00 34.40 H new ATOM 0 HA2 GLY A 80 22.193 0.462 -1.686 1.00 55.54 H new ATOM 0 HA3 GLY A 80 21.413 -0.062 -0.207 1.00 55.54 H new ATOM 1133 N GLY A 81 21.930 1.985 1.133 1.00 11.02 N ATOM 1134 CA GLY A 81 22.089 3.265 1.799 1.00 65.24 C ATOM 1135 C GLY A 81 22.984 3.176 3.019 1.00 13.03 C ATOM 1136 O GLY A 81 23.889 3.992 3.194 1.00 1.11 O ATOM 0 H GLY A 81 21.300 1.334 1.601 1.00 11.02 H new ATOM 0 HA2 GLY A 81 22.507 3.987 1.097 1.00 65.24 H new ATOM 0 HA3 GLY A 81 21.110 3.640 2.097 1.00 65.24 H new ATOM 1140 N ILE A 82 22.729 2.184 3.866 1.00 2.43 N ATOM 1141 CA ILE A 82 23.518 1.993 5.077 1.00 0.20 C ATOM 1142 C ILE A 82 24.857 1.334 4.763 1.00 75.34 C ATOM 1143 O ILE A 82 24.974 0.575 3.801 1.00 63.11 O ATOM 1144 CB ILE A 82 22.765 1.134 6.110 1.00 61.24 C ATOM 1145 CG1 ILE A 82 21.334 1.647 6.287 1.00 65.14 C ATOM 1146 CG2 ILE A 82 23.503 1.137 7.440 1.00 30.31 C ATOM 1147 CD1 ILE A 82 21.261 3.095 6.718 1.00 31.35 C ATOM 0 H ILE A 82 21.983 1.501 3.736 1.00 2.43 H new ATOM 0 HA ILE A 82 23.693 2.983 5.499 1.00 0.20 H new ATOM 0 HB ILE A 82 22.720 0.108 5.744 1.00 61.24 H new ATOM 0 HG12 ILE A 82 20.795 1.528 5.347 1.00 65.14 H new ATOM 0 HG13 ILE A 82 20.824 1.030 7.027 1.00 65.14 H new ATOM 0 HG21 ILE A 82 22.958 0.526 8.160 1.00 30.31 H new ATOM 0 HG22 ILE A 82 24.504 0.729 7.301 1.00 30.31 H new ATOM 0 HG23 ILE A 82 23.576 2.158 7.813 1.00 30.31 H new ATOM 0 HD11 ILE A 82 20.217 3.391 6.824 1.00 31.35 H new ATOM 0 HD12 ILE A 82 21.771 3.216 7.673 1.00 31.35 H new ATOM 0 HD13 ILE A 82 21.742 3.723 5.968 1.00 31.35 H new ATOM 1159 N GLN A 83 25.862 1.628 5.581 1.00 35.42 N ATOM 1160 CA GLN A 83 27.192 1.062 5.391 1.00 72.24 C ATOM 1161 C GLN A 83 27.940 0.971 6.717 1.00 51.05 C ATOM 1162 O GLN A 83 27.577 1.627 7.692 1.00 51.22 O ATOM 1163 CB GLN A 83 27.991 1.907 4.397 1.00 1.13 C ATOM 1164 CG GLN A 83 28.441 3.245 4.961 1.00 13.31 C ATOM 1165 CD GLN A 83 28.831 4.233 3.879 1.00 24.32 C ATOM 1166 OE1 GLN A 83 27.973 4.825 3.224 1.00 5.43 O ATOM 1167 NE2 GLN A 83 30.132 4.415 3.686 1.00 44.24 N ATOM 0 H GLN A 83 25.781 2.255 6.382 1.00 35.42 H new ATOM 0 HA GLN A 83 27.077 0.055 4.991 1.00 72.24 H new ATOM 0 HB2 GLN A 83 28.867 1.344 4.076 1.00 1.13 H new ATOM 0 HB3 GLN A 83 27.382 2.082 3.510 1.00 1.13 H new ATOM 0 HG2 GLN A 83 27.638 3.670 5.563 1.00 13.31 H new ATOM 0 HG3 GLN A 83 29.289 3.087 5.627 1.00 13.31 H new ATOM 0 HE21 GLN A 83 30.808 3.903 4.252 1.00 44.24 H new ATOM 0 HE22 GLN A 83 30.455 5.067 2.971 1.00 44.24 H new ATOM 1176 N GLY A 84 28.987 0.152 6.745 1.00 41.11 N ATOM 1177 CA GLY A 84 29.769 -0.010 7.956 1.00 5.14 C ATOM 1178 C GLY A 84 31.196 -0.437 7.673 1.00 41.54 C ATOM 1179 O GLY A 84 31.478 -1.031 6.633 1.00 70.54 O ATOM 0 H GLY A 84 29.307 -0.402 5.951 1.00 41.11 H new ATOM 0 HA2 GLY A 84 29.777 0.930 8.508 1.00 5.14 H new ATOM 0 HA3 GLY A 84 29.292 -0.752 8.596 1.00 5.14 H new ATOM 1183 N SER A 85 32.099 -0.131 8.599 1.00 50.31 N ATOM 1184 CA SER A 85 33.505 -0.482 8.441 1.00 44.43 C ATOM 1185 C SER A 85 34.036 -1.177 9.691 1.00 52.11 C ATOM 1186 O SER A 85 33.487 -1.022 10.783 1.00 63.14 O ATOM 1187 CB SER A 85 34.335 0.770 8.148 1.00 24.14 C ATOM 1188 OG SER A 85 33.606 1.947 8.450 1.00 44.13 O ATOM 0 H SER A 85 31.882 0.359 9.467 1.00 50.31 H new ATOM 0 HA SER A 85 33.590 -1.171 7.600 1.00 44.43 H new ATOM 0 HB2 SER A 85 35.253 0.747 8.734 1.00 24.14 H new ATOM 0 HB3 SER A 85 34.627 0.779 7.098 1.00 24.14 H new ATOM 0 HG SER A 85 34.158 2.733 8.256 1.00 44.13 H new ATOM 1194 N THR A 86 35.108 -1.945 9.523 1.00 0.05 N ATOM 1195 CA THR A 86 35.713 -2.666 10.636 1.00 2.33 C ATOM 1196 C THR A 86 37.195 -2.334 10.765 1.00 4.12 C ATOM 1197 O THR A 86 37.894 -2.170 9.765 1.00 51.23 O ATOM 1198 CB THR A 86 35.552 -4.189 10.473 1.00 0.12 C ATOM 1199 OG1 THR A 86 34.236 -4.494 9.998 1.00 21.23 O ATOM 1200 CG2 THR A 86 35.799 -4.904 11.793 1.00 11.42 C ATOM 0 H THR A 86 35.575 -2.084 8.627 1.00 0.05 H new ATOM 0 HA THR A 86 35.192 -2.348 11.539 1.00 2.33 H new ATOM 0 HB THR A 86 36.289 -4.535 9.748 1.00 0.12 H new ATOM 0 HG1 THR A 86 34.231 -5.390 9.600 1.00 21.23 H new ATOM 0 HG21 THR A 86 35.680 -5.978 11.653 1.00 11.42 H new ATOM 0 HG22 THR A 86 36.812 -4.693 12.137 1.00 11.42 H new ATOM 0 HG23 THR A 86 35.083 -4.553 12.536 1.00 11.42 H new ATOM 1208 N ASP A 87 37.670 -2.237 12.002 1.00 33.22 N ATOM 1209 CA ASP A 87 39.071 -1.927 12.262 1.00 53.41 C ATOM 1210 C ASP A 87 39.852 -3.190 12.611 1.00 14.43 C ATOM 1211 O ASP A 87 39.469 -3.940 13.510 1.00 44.24 O ATOM 1212 CB ASP A 87 39.188 -0.909 13.398 1.00 73.12 C ATOM 1213 CG ASP A 87 40.612 -0.434 13.605 1.00 24.45 C ATOM 1214 OD1 ASP A 87 41.509 -0.915 12.881 1.00 11.22 O ATOM 1215 OD2 ASP A 87 40.831 0.417 14.493 1.00 62.10 O ATOM 0 H ASP A 87 37.105 -2.369 12.841 1.00 33.22 H new ATOM 0 HA ASP A 87 39.497 -1.498 11.355 1.00 53.41 H new ATOM 0 HB2 ASP A 87 38.550 -0.052 13.181 1.00 73.12 H new ATOM 0 HB3 ASP A 87 38.819 -1.355 14.321 1.00 73.12 H new ATOM 1220 N PHE A 88 40.947 -3.419 11.895 1.00 60.13 N ATOM 1221 CA PHE A 88 41.781 -4.593 12.128 1.00 51.45 C ATOM 1222 C PHE A 88 43.232 -4.189 12.372 1.00 51.20 C ATOM 1223 O PHE A 88 43.901 -3.663 11.482 1.00 31.00 O ATOM 1224 CB PHE A 88 41.699 -5.547 10.935 1.00 64.25 C ATOM 1225 CG PHE A 88 40.568 -6.530 11.030 1.00 70.43 C ATOM 1226 CD1 PHE A 88 40.576 -7.525 11.994 1.00 25.13 C ATOM 1227 CD2 PHE A 88 39.496 -6.460 10.155 1.00 13.31 C ATOM 1228 CE1 PHE A 88 39.537 -8.432 12.083 1.00 11.55 C ATOM 1229 CE2 PHE A 88 38.453 -7.363 10.240 1.00 60.22 C ATOM 1230 CZ PHE A 88 38.473 -8.350 11.206 1.00 4.30 C ATOM 0 H PHE A 88 41.278 -2.808 11.149 1.00 60.13 H new ATOM 0 HA PHE A 88 41.409 -5.102 13.018 1.00 51.45 H new ATOM 0 HB2 PHE A 88 41.587 -4.964 10.021 1.00 64.25 H new ATOM 0 HB3 PHE A 88 42.639 -6.093 10.852 1.00 64.25 H new ATOM 0 HD1 PHE A 88 41.404 -7.593 12.684 1.00 25.13 H new ATOM 0 HD2 PHE A 88 39.475 -5.691 9.397 1.00 13.31 H new ATOM 0 HE1 PHE A 88 39.557 -9.204 12.838 1.00 11.55 H new ATOM 0 HE2 PHE A 88 37.623 -7.297 9.552 1.00 60.22 H new ATOM 0 HZ PHE A 88 37.659 -9.056 11.275 1.00 4.30 H new ATOM 1240 N LYS A 89 43.713 -4.438 13.585 1.00 14.04 N ATOM 1241 CA LYS A 89 45.084 -4.102 13.949 1.00 30.14 C ATOM 1242 C LYS A 89 45.875 -5.357 14.307 1.00 52.53 C ATOM 1243 O LYS A 89 45.641 -5.975 15.345 1.00 73.52 O ATOM 1244 CB LYS A 89 45.096 -3.126 15.128 1.00 41.21 C ATOM 1245 CG LYS A 89 45.372 -1.688 14.724 1.00 53.13 C ATOM 1246 CD LYS A 89 46.483 -1.076 15.561 1.00 74.42 C ATOM 1247 CE LYS A 89 46.956 0.246 14.978 1.00 10.30 C ATOM 1248 NZ LYS A 89 48.170 0.756 15.674 1.00 50.13 N ATOM 0 H LYS A 89 43.173 -4.872 14.334 1.00 14.04 H new ATOM 0 HA LYS A 89 45.556 -3.629 13.088 1.00 30.14 H new ATOM 0 HB2 LYS A 89 44.134 -3.173 15.638 1.00 41.21 H new ATOM 0 HB3 LYS A 89 45.852 -3.445 15.845 1.00 41.21 H new ATOM 0 HG2 LYS A 89 45.648 -1.652 13.670 1.00 53.13 H new ATOM 0 HG3 LYS A 89 44.463 -1.097 14.836 1.00 53.13 H new ATOM 0 HD2 LYS A 89 46.128 -0.919 16.580 1.00 74.42 H new ATOM 0 HD3 LYS A 89 47.321 -1.770 15.618 1.00 74.42 H new ATOM 0 HE2 LYS A 89 47.172 0.119 13.917 1.00 10.30 H new ATOM 0 HE3 LYS A 89 46.157 0.983 15.054 1.00 10.30 H new ATOM 0 HZ1 LYS A 89 48.461 1.659 15.248 1.00 50.13 H new ATOM 0 HZ2 LYS A 89 47.957 0.902 16.681 1.00 50.13 H new ATOM 0 HZ3 LYS A 89 48.941 0.064 15.580 1.00 50.13 H new ATOM 1262 N VAL A 90 46.813 -5.726 13.441 1.00 43.23 N ATOM 1263 CA VAL A 90 47.641 -6.905 13.666 1.00 14.14 C ATOM 1264 C VAL A 90 48.990 -6.523 14.266 1.00 75.24 C ATOM 1265 O VAL A 90 49.861 -5.992 13.576 1.00 74.23 O ATOM 1266 CB VAL A 90 47.874 -7.685 12.359 1.00 22.32 C ATOM 1267 CG1 VAL A 90 48.770 -8.889 12.609 1.00 73.23 C ATOM 1268 CG2 VAL A 90 46.548 -8.114 11.751 1.00 75.11 C ATOM 0 H VAL A 90 47.019 -5.225 12.577 1.00 43.23 H new ATOM 0 HA VAL A 90 47.102 -7.541 14.368 1.00 14.14 H new ATOM 0 HB VAL A 90 48.377 -7.029 11.649 1.00 22.32 H new ATOM 0 HG11 VAL A 90 48.924 -9.428 11.674 1.00 73.23 H new ATOM 0 HG12 VAL A 90 49.732 -8.553 12.996 1.00 73.23 H new ATOM 0 HG13 VAL A 90 48.297 -9.550 13.336 1.00 73.23 H new ATOM 0 HG21 VAL A 90 46.732 -8.664 10.828 1.00 75.11 H new ATOM 0 HG22 VAL A 90 46.015 -8.754 12.455 1.00 75.11 H new ATOM 0 HG23 VAL A 90 45.945 -7.232 11.534 1.00 75.11 H new ATOM 1278 N THR A 91 49.157 -6.798 15.556 1.00 51.44 N ATOM 1279 CA THR A 91 50.400 -6.483 16.249 1.00 15.30 C ATOM 1280 C THR A 91 51.069 -7.746 16.779 1.00 53.30 C ATOM 1281 O THR A 91 50.416 -8.772 16.968 1.00 52.41 O ATOM 1282 CB THR A 91 50.159 -5.513 17.421 1.00 14.31 C ATOM 1283 OG1 THR A 91 49.161 -6.045 18.300 1.00 2.42 O ATOM 1284 CG2 THR A 91 49.718 -4.148 16.912 1.00 20.45 C ATOM 0 H THR A 91 48.447 -7.238 16.142 1.00 51.44 H new ATOM 0 HA THR A 91 51.056 -6.006 15.521 1.00 15.30 H new ATOM 0 HB THR A 91 51.096 -5.395 17.965 1.00 14.31 H new ATOM 0 HG1 THR A 91 49.015 -5.423 19.043 1.00 2.42 H new ATOM 0 HG21 THR A 91 49.554 -3.480 17.758 1.00 20.45 H new ATOM 0 HG22 THR A 91 50.492 -3.733 16.267 1.00 20.45 H new ATOM 0 HG23 THR A 91 48.792 -4.252 16.347 1.00 20.45 H new ATOM 1292 N GLN A 92 52.374 -7.663 17.017 1.00 14.03 N ATOM 1293 CA GLN A 92 53.130 -8.801 17.526 1.00 45.21 C ATOM 1294 C GLN A 92 52.981 -10.009 16.607 1.00 14.20 C ATOM 1295 O GLN A 92 53.921 -10.783 16.424 1.00 74.13 O ATOM 1296 CB GLN A 92 52.666 -9.159 18.939 1.00 52.14 C ATOM 1297 CG GLN A 92 53.765 -9.744 19.811 1.00 70.15 C ATOM 1298 CD GLN A 92 53.250 -10.800 20.769 1.00 51.13 C ATOM 1299 OE1 GLN A 92 52.253 -11.469 20.496 1.00 53.21 O ATOM 1300 NE2 GLN A 92 53.929 -10.955 21.899 1.00 32.53 N ATOM 0 H GLN A 92 52.929 -6.821 16.866 1.00 14.03 H new ATOM 0 HA GLN A 92 54.183 -8.520 17.558 1.00 45.21 H new ATOM 0 HB2 GLN A 92 52.270 -8.265 19.420 1.00 52.14 H new ATOM 0 HB3 GLN A 92 51.847 -9.875 18.873 1.00 52.14 H new ATOM 0 HG2 GLN A 92 54.535 -10.181 19.175 1.00 70.15 H new ATOM 0 HG3 GLN A 92 54.238 -8.943 20.379 1.00 70.15 H new ATOM 0 HE21 GLN A 92 54.750 -10.378 22.084 1.00 32.53 H new ATOM 0 HE22 GLN A 92 53.630 -11.651 22.582 1.00 32.53 H new TER 1309 GLN A 92