USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 154:sc=0.000263 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.138 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.243 K(o=-0.24,f=-4.2!) USER MOD Single : A 9 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -47:sc= 0.288 USER MOD Single : A 26 THR OG1 : rot 80:sc= 0.381 USER MOD Single : A 28 SER OG : rot 130:sc= 0 USER MOD Single : A 36 CYS SG : rot -26:sc= 0.193 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.35) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 52 MET CE :methyl 167:sc= -2.44 (180deg=-3.08!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 67 THR OG1 : rot 30:sc= 1.23 USER MOD Single : A 68 HIS : no HD1:sc= -0.0887 X(o=-0.089,f=-0.0018) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 153:sc= 1.37 USER MOD Single : A 89 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.97) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.504 3.474 -3.029 1.00 23.41 N ATOM 2 CA GLY A 1 1.819 3.156 -2.427 1.00 73.53 C ATOM 3 C GLY A 1 2.863 4.185 -2.790 1.00 72.31 C ATOM 4 O GLY A 1 2.937 4.626 -3.939 1.00 14.41 O ATOM 0 H1 GLY A 1 -0.044 2.598 -3.148 1.00 23.41 H new ATOM 0 H2 GLY A 1 -0.015 4.125 -2.406 1.00 23.41 H new ATOM 0 H3 GLY A 1 0.646 3.922 -3.957 1.00 23.41 H new ATOM 0 HA2 GLY A 1 1.720 3.105 -1.343 1.00 73.53 H new ATOM 0 HA3 GLY A 1 2.145 2.172 -2.764 1.00 73.53 H new ATOM 10 N SER A 2 3.668 4.569 -1.815 1.00 3.14 N ATOM 11 CA SER A 2 4.675 5.598 -2.007 1.00 5.32 C ATOM 12 C SER A 2 5.880 5.055 -2.767 1.00 72.52 C ATOM 13 O SER A 2 6.618 4.210 -2.262 1.00 22.34 O ATOM 14 CB SER A 2 5.108 6.156 -0.648 1.00 20.22 C ATOM 15 OG SER A 2 5.370 5.106 0.271 1.00 30.24 O ATOM 0 H SER A 2 3.643 4.179 -0.873 1.00 3.14 H new ATOM 0 HA SER A 2 4.240 6.400 -2.604 1.00 5.32 H new ATOM 0 HB2 SER A 2 6.001 6.769 -0.770 1.00 20.22 H new ATOM 0 HB3 SER A 2 4.327 6.805 -0.252 1.00 20.22 H new ATOM 0 HG SER A 2 5.862 4.390 -0.182 1.00 30.24 H new ATOM 21 N HIS A 3 6.059 5.530 -3.992 1.00 74.30 N ATOM 22 CA HIS A 3 7.218 5.156 -4.788 1.00 71.34 C ATOM 23 C HIS A 3 8.385 6.076 -4.470 1.00 55.41 C ATOM 24 O HIS A 3 8.181 7.231 -4.096 1.00 61.04 O ATOM 25 CB HIS A 3 6.895 5.199 -6.284 1.00 10.31 C ATOM 26 CG HIS A 3 5.970 4.107 -6.715 1.00 15.43 C ATOM 27 ND1 HIS A 3 4.756 4.338 -7.318 1.00 31.20 N ATOM 28 CD2 HIS A 3 6.090 2.763 -6.619 1.00 75.30 C ATOM 29 CE1 HIS A 3 4.167 3.186 -7.573 1.00 4.51 C ATOM 30 NE2 HIS A 3 4.957 2.214 -7.159 1.00 64.22 N ATOM 0 H HIS A 3 5.417 6.174 -4.455 1.00 74.30 H new ATOM 0 HA HIS A 3 7.493 4.132 -4.534 1.00 71.34 H new ATOM 0 HB2 HIS A 3 6.447 6.163 -6.525 1.00 10.31 H new ATOM 0 HB3 HIS A 3 7.822 5.127 -6.852 1.00 10.31 H new ATOM 0 HD2 HIS A 3 6.924 2.223 -6.195 1.00 75.30 H new ATOM 0 HE1 HIS A 3 3.202 3.060 -8.041 1.00 4.51 H new ATOM 0 HE2 HIS A 3 4.757 1.216 -7.229 1.00 64.22 H new ATOM 39 N MET A 4 9.597 5.563 -4.632 1.00 24.22 N ATOM 40 CA MET A 4 10.810 6.278 -4.237 1.00 74.34 C ATOM 41 C MET A 4 10.908 7.643 -4.908 1.00 53.14 C ATOM 42 O MET A 4 11.080 8.658 -4.236 1.00 34.52 O ATOM 43 CB MET A 4 12.056 5.451 -4.567 1.00 33.23 C ATOM 44 CG MET A 4 12.141 4.147 -3.793 1.00 44.04 C ATOM 45 SD MET A 4 12.202 4.397 -2.009 1.00 70.34 S ATOM 46 CE MET A 4 12.210 2.700 -1.433 1.00 13.33 C ATOM 0 H MET A 4 9.770 4.644 -5.039 1.00 24.22 H new ATOM 0 HA MET A 4 10.754 6.433 -3.160 1.00 74.34 H new ATOM 0 HB2 MET A 4 12.064 5.232 -5.635 1.00 33.23 H new ATOM 0 HB3 MET A 4 12.944 6.047 -4.357 1.00 33.23 H new ATOM 0 HG2 MET A 4 11.279 3.527 -4.039 1.00 44.04 H new ATOM 0 HG3 MET A 4 13.029 3.599 -4.109 1.00 44.04 H new ATOM 0 HE1 MET A 4 12.246 2.686 -0.344 1.00 13.33 H new ATOM 0 HE2 MET A 4 11.305 2.196 -1.773 1.00 13.33 H new ATOM 0 HE3 MET A 4 13.084 2.185 -1.832 1.00 13.33 H new ATOM 56 N ASN A 5 10.771 7.666 -6.229 1.00 22.52 N ATOM 57 CA ASN A 5 10.894 8.908 -6.988 1.00 73.11 C ATOM 58 C ASN A 5 9.817 9.909 -6.581 1.00 10.31 C ATOM 59 O ASN A 5 10.075 11.108 -6.483 1.00 10.11 O ATOM 60 CB ASN A 5 10.828 8.643 -8.501 1.00 53.32 C ATOM 61 CG ASN A 5 9.488 8.091 -8.967 1.00 53.24 C ATOM 62 OD1 ASN A 5 8.833 7.321 -8.262 1.00 40.34 O ATOM 63 ND2 ASN A 5 9.065 8.501 -10.152 1.00 4.12 N ATOM 0 H ASN A 5 10.575 6.842 -6.797 1.00 22.52 H new ATOM 0 HA ASN A 5 11.869 9.337 -6.757 1.00 73.11 H new ATOM 0 HB2 ASN A 5 11.033 9.572 -9.033 1.00 53.32 H new ATOM 0 HB3 ASN A 5 11.615 7.940 -8.773 1.00 53.32 H new ATOM 0 HD21 ASN A 5 8.167 8.179 -10.512 1.00 4.12 H new ATOM 0 HD22 ASN A 5 9.637 9.139 -10.705 1.00 4.12 H new ATOM 70 N ARG A 6 8.616 9.409 -6.323 1.00 70.34 N ATOM 71 CA ARG A 6 7.504 10.259 -5.927 1.00 45.50 C ATOM 72 C ARG A 6 7.708 10.789 -4.511 1.00 22.34 C ATOM 73 O ARG A 6 7.425 11.953 -4.228 1.00 1.32 O ATOM 74 CB ARG A 6 6.184 9.488 -6.039 1.00 34.52 C ATOM 75 CG ARG A 6 4.965 10.276 -5.584 1.00 35.22 C ATOM 76 CD ARG A 6 3.677 9.554 -5.943 1.00 55.24 C ATOM 77 NE ARG A 6 2.512 10.149 -5.291 1.00 65.22 N ATOM 78 CZ ARG A 6 1.553 10.819 -5.931 1.00 12.53 C ATOM 79 NH1 ARG A 6 1.640 11.034 -7.239 1.00 43.31 N ATOM 80 NH2 ARG A 6 0.510 11.282 -5.257 1.00 11.12 N ATOM 0 H ARG A 6 8.388 8.417 -6.381 1.00 70.34 H new ATOM 0 HA ARG A 6 7.461 11.115 -6.601 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.040 9.183 -7.076 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.256 8.576 -5.446 1.00 34.52 H new ATOM 0 HG2 ARG A 6 5.010 10.430 -4.506 1.00 35.22 H new ATOM 0 HG3 ARG A 6 4.973 11.263 -6.047 1.00 35.22 H new ATOM 0 HD2 ARG A 6 3.538 9.578 -7.024 1.00 55.24 H new ATOM 0 HD3 ARG A 6 3.757 8.506 -5.655 1.00 55.24 H new ATOM 0 HE ARG A 6 2.427 10.045 -4.280 1.00 65.22 H new ATOM 0 HH11 ARG A 6 2.444 10.686 -7.761 1.00 43.31 H new ATOM 0 HH12 ARG A 6 0.902 11.547 -7.722 1.00 43.31 H new ATOM 0 HH21 ARG A 6 0.442 11.126 -4.251 1.00 11.12 H new ATOM 0 HH22 ARG A 6 -0.225 11.795 -5.744 1.00 11.12 H new ATOM 94 N PHE A 7 8.223 9.938 -3.632 1.00 61.03 N ATOM 95 CA PHE A 7 8.494 10.334 -2.258 1.00 54.10 C ATOM 96 C PHE A 7 9.591 11.394 -2.219 1.00 14.21 C ATOM 97 O PHE A 7 9.425 12.449 -1.606 1.00 1.24 O ATOM 98 CB PHE A 7 8.903 9.115 -1.423 1.00 72.25 C ATOM 99 CG PHE A 7 9.087 9.415 0.039 1.00 31.43 C ATOM 100 CD1 PHE A 7 7.989 9.552 0.873 1.00 52.24 C ATOM 101 CD2 PHE A 7 10.356 9.561 0.580 1.00 4.00 C ATOM 102 CE1 PHE A 7 8.152 9.829 2.216 1.00 13.43 C ATOM 103 CE2 PHE A 7 10.525 9.838 1.923 1.00 61.21 C ATOM 104 CZ PHE A 7 9.421 9.973 2.741 1.00 73.30 C ATOM 0 H PHE A 7 8.461 8.970 -3.847 1.00 61.03 H new ATOM 0 HA PHE A 7 7.584 10.758 -1.833 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.144 8.340 -1.533 1.00 72.25 H new ATOM 0 HB3 PHE A 7 9.833 8.709 -1.821 1.00 72.25 H new ATOM 0 HD1 PHE A 7 6.994 9.441 0.468 1.00 52.24 H new ATOM 0 HD2 PHE A 7 11.222 9.457 -0.056 1.00 4.00 H new ATOM 0 HE1 PHE A 7 7.288 9.933 2.855 1.00 13.43 H new ATOM 0 HE2 PHE A 7 11.518 9.949 2.332 1.00 61.21 H new ATOM 0 HZ PHE A 7 9.550 10.191 3.791 1.00 73.30 H new ATOM 114 N LEU A 8 10.698 11.112 -2.898 1.00 52.30 N ATOM 115 CA LEU A 8 11.831 12.027 -2.933 1.00 12.42 C ATOM 116 C LEU A 8 11.434 13.373 -3.533 1.00 4.34 C ATOM 117 O LEU A 8 11.812 14.423 -3.018 1.00 54.30 O ATOM 118 CB LEU A 8 12.989 11.417 -3.725 1.00 73.45 C ATOM 119 CG LEU A 8 13.591 10.144 -3.118 1.00 4.01 C ATOM 120 CD1 LEU A 8 14.710 9.611 -3.999 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.106 10.410 -1.709 1.00 0.01 C ATOM 0 H LEU A 8 10.834 10.254 -3.433 1.00 52.30 H new ATOM 0 HA LEU A 8 12.156 12.195 -1.906 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.641 11.191 -4.733 1.00 73.45 H new ATOM 0 HB3 LEU A 8 13.777 12.164 -3.820 1.00 73.45 H new ATOM 0 HG LEU A 8 12.806 9.390 -3.060 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.125 8.708 -3.553 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.315 9.379 -4.988 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.493 10.364 -4.089 1.00 63.33 H new ATOM 0 HD21 LEU A 8 14.529 9.494 -1.297 1.00 0.01 H new ATOM 0 HD22 LEU A 8 14.875 11.182 -1.742 1.00 0.01 H new ATOM 0 HD23 LEU A 8 13.283 10.745 -1.078 1.00 0.01 H new ATOM 133 N THR A 9 10.656 13.338 -4.610 1.00 50.43 N ATOM 134 CA THR A 9 10.196 14.563 -5.254 1.00 11.00 C ATOM 135 C THR A 9 9.273 15.353 -4.323 1.00 63.12 C ATOM 136 O THR A 9 9.302 16.585 -4.304 1.00 22.31 O ATOM 137 CB THR A 9 9.474 14.262 -6.585 1.00 3.51 C ATOM 138 OG1 THR A 9 10.354 13.536 -7.457 1.00 24.21 O ATOM 139 CG2 THR A 9 9.029 15.544 -7.274 1.00 32.31 C ATOM 0 H THR A 9 10.332 12.479 -5.054 1.00 50.43 H new ATOM 0 HA THR A 9 11.076 15.168 -5.473 1.00 11.00 H new ATOM 0 HB THR A 9 8.589 13.665 -6.363 1.00 3.51 H new ATOM 0 HG1 THR A 9 10.096 12.591 -7.469 1.00 24.21 H new ATOM 0 HG21 THR A 9 8.524 15.299 -8.208 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.344 16.088 -6.623 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.900 16.165 -7.485 1.00 32.31 H new ATOM 147 N SER A 10 8.474 14.643 -3.534 1.00 65.42 N ATOM 148 CA SER A 10 7.606 15.287 -2.561 1.00 14.20 C ATOM 149 C SER A 10 8.447 15.969 -1.486 1.00 60.34 C ATOM 150 O SER A 10 8.113 17.061 -1.024 1.00 33.45 O ATOM 151 CB SER A 10 6.652 14.270 -1.927 1.00 14.00 C ATOM 152 OG SER A 10 5.681 14.911 -1.115 1.00 11.13 O ATOM 0 H SER A 10 8.411 13.625 -3.550 1.00 65.42 H new ATOM 0 HA SER A 10 7.007 16.040 -3.074 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.154 13.698 -2.710 1.00 14.00 H new ATOM 0 HB3 SER A 10 7.221 13.560 -1.326 1.00 14.00 H new ATOM 0 HG SER A 10 5.085 14.238 -0.725 1.00 11.13 H new ATOM 158 N ILE A 11 9.544 15.325 -1.100 1.00 41.21 N ATOM 159 CA ILE A 11 10.480 15.916 -0.152 1.00 43.24 C ATOM 160 C ILE A 11 11.112 17.169 -0.754 1.00 34.21 C ATOM 161 O ILE A 11 11.232 18.192 -0.086 1.00 51.11 O ATOM 162 CB ILE A 11 11.585 14.917 0.263 1.00 63.44 C ATOM 163 CG1 ILE A 11 10.968 13.670 0.912 1.00 0.25 C ATOM 164 CG2 ILE A 11 12.582 15.574 1.212 1.00 53.04 C ATOM 165 CD1 ILE A 11 10.141 13.967 2.147 1.00 53.14 C ATOM 0 H ILE A 11 9.806 14.396 -1.429 1.00 41.21 H new ATOM 0 HA ILE A 11 9.919 16.183 0.744 1.00 43.24 H new ATOM 0 HB ILE A 11 12.121 14.611 -0.636 1.00 63.44 H new ATOM 0 HG12 ILE A 11 10.340 13.164 0.179 1.00 0.25 H new ATOM 0 HG13 ILE A 11 11.767 12.978 1.179 1.00 0.25 H new ATOM 0 HG21 ILE A 11 13.350 14.852 1.490 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.048 16.426 0.717 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.062 15.914 2.108 1.00 53.04 H new ATOM 0 HD11 ILE A 11 9.739 13.037 2.548 1.00 53.14 H new ATOM 0 HD12 ILE A 11 10.769 14.445 2.899 1.00 53.14 H new ATOM 0 HD13 ILE A 11 9.320 14.633 1.883 1.00 53.14 H new ATOM 177 N VAL A 12 11.492 17.083 -2.027 1.00 21.55 N ATOM 178 CA VAL A 12 12.014 18.234 -2.762 1.00 14.34 C ATOM 179 C VAL A 12 11.029 19.400 -2.708 1.00 13.44 C ATOM 180 O VAL A 12 11.411 20.541 -2.439 1.00 43.23 O ATOM 181 CB VAL A 12 12.303 17.878 -4.241 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.698 19.113 -5.038 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.392 16.819 -4.333 1.00 24.24 C ATOM 0 H VAL A 12 11.448 16.223 -2.574 1.00 21.55 H new ATOM 0 HA VAL A 12 12.949 18.525 -2.284 1.00 14.34 H new ATOM 0 HB VAL A 12 11.386 17.476 -4.672 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.895 18.831 -6.072 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.887 19.840 -5.008 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.596 19.554 -4.605 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.581 16.582 -5.380 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.306 17.197 -3.875 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.069 15.919 -3.810 1.00 24.24 H new ATOM 193 N ALA A 13 9.756 19.096 -2.946 1.00 44.22 N ATOM 194 CA ALA A 13 8.698 20.099 -2.891 1.00 63.42 C ATOM 195 C ALA A 13 8.602 20.702 -1.494 1.00 5.15 C ATOM 196 O ALA A 13 8.494 21.915 -1.342 1.00 60.31 O ATOM 197 CB ALA A 13 7.367 19.488 -3.302 1.00 50.45 C ATOM 0 H ALA A 13 9.432 18.158 -3.180 1.00 44.22 H new ATOM 0 HA ALA A 13 8.943 20.898 -3.591 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.588 20.249 -3.256 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.441 19.106 -4.320 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.117 18.671 -2.625 1.00 50.45 H new ATOM 203 N TRP A 14 8.661 19.844 -0.486 1.00 34.42 N ATOM 204 CA TRP A 14 8.627 20.274 0.908 1.00 42.25 C ATOM 205 C TRP A 14 9.813 21.184 1.231 1.00 70.10 C ATOM 206 O TRP A 14 9.644 22.262 1.805 1.00 3.04 O ATOM 207 CB TRP A 14 8.622 19.037 1.818 1.00 32.24 C ATOM 208 CG TRP A 14 8.789 19.333 3.279 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.096 20.241 4.024 1.00 2.33 C ATOM 210 CD2 TRP A 14 9.706 18.696 4.176 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.528 20.212 5.328 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.518 19.271 5.447 1.00 5.51 C ATOM 213 CE3 TRP A 14 10.670 17.696 4.026 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.258 18.876 6.559 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.403 17.305 5.130 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.195 17.894 6.381 1.00 73.14 C ATOM 0 H TRP A 14 8.734 18.834 -0.608 1.00 34.42 H new ATOM 0 HA TRP A 14 7.719 20.851 1.081 1.00 42.25 H new ATOM 0 HB2 TRP A 14 7.684 18.501 1.675 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.423 18.368 1.503 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.320 20.889 3.644 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.170 20.796 6.084 1.00 52.34 H new ATOM 0 HE3 TRP A 14 10.839 17.236 3.063 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.098 19.328 7.527 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.149 16.531 5.025 1.00 1.43 H new ATOM 0 HH2 TRP A 14 11.786 17.567 7.224 1.00 73.14 H new ATOM 227 N LEU A 15 11.005 20.753 0.840 1.00 2.10 N ATOM 228 CA LEU A 15 12.223 21.498 1.129 1.00 34.45 C ATOM 229 C LEU A 15 12.199 22.875 0.480 1.00 0.13 C ATOM 230 O LEU A 15 12.525 23.874 1.122 1.00 34.54 O ATOM 231 CB LEU A 15 13.455 20.722 0.661 1.00 11.03 C ATOM 232 CG LEU A 15 13.637 19.346 1.304 1.00 31.04 C ATOM 233 CD1 LEU A 15 14.966 18.736 0.887 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.539 19.447 2.820 1.00 64.45 C ATOM 0 H LEU A 15 11.154 19.888 0.320 1.00 2.10 H new ATOM 0 HA LEU A 15 12.277 21.631 2.210 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.397 20.596 -0.420 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.342 21.322 0.865 1.00 11.03 H new ATOM 0 HG LEU A 15 12.837 18.692 0.955 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.079 17.757 1.353 1.00 61.44 H new ATOM 0 HD12 LEU A 15 14.992 18.627 -0.197 1.00 61.44 H new ATOM 0 HD13 LEU A 15 15.781 19.386 1.206 1.00 61.44 H new ATOM 0 HD21 LEU A 15 13.671 18.458 3.260 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.316 20.116 3.191 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.560 19.839 3.096 1.00 64.45 H new ATOM 246 N ARG A 16 11.803 22.935 -0.787 1.00 2.41 N ATOM 247 CA ARG A 16 11.758 24.207 -1.489 1.00 31.15 C ATOM 248 C ARG A 16 10.622 25.073 -0.954 1.00 5.31 C ATOM 249 O ARG A 16 10.737 26.291 -0.911 1.00 11.03 O ATOM 250 CB ARG A 16 11.622 24.013 -3.006 1.00 12.41 C ATOM 251 CG ARG A 16 10.278 23.471 -3.458 1.00 75.42 C ATOM 252 CD ARG A 16 10.217 23.350 -4.969 1.00 13.34 C ATOM 253 NE ARG A 16 8.895 22.937 -5.437 1.00 41.44 N ATOM 254 CZ ARG A 16 8.501 23.012 -6.707 1.00 71.15 C ATOM 255 NH1 ARG A 16 9.304 23.542 -7.626 1.00 44.40 N ATOM 256 NH2 ARG A 16 7.291 22.588 -7.053 1.00 61.31 N ATOM 0 H ARG A 16 11.513 22.129 -1.340 1.00 2.41 H new ATOM 0 HA ARG A 16 12.703 24.718 -1.307 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.797 24.970 -3.498 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.405 23.333 -3.343 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.105 22.495 -3.005 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.482 24.129 -3.111 1.00 75.42 H new ATOM 0 HD2 ARG A 16 10.477 24.308 -5.419 1.00 13.34 H new ATOM 0 HD3 ARG A 16 10.961 22.628 -5.304 1.00 13.34 H new ATOM 0 HE ARG A 16 8.236 22.570 -4.751 1.00 41.44 H new ATOM 0 HH11 ARG A 16 10.224 23.892 -7.359 1.00 44.40 H new ATOM 0 HH12 ARG A 16 9.000 23.598 -8.598 1.00 44.40 H new ATOM 0 HH21 ARG A 16 6.663 22.205 -6.346 1.00 61.31 H new ATOM 0 HH22 ARG A 16 6.989 22.645 -8.026 1.00 61.31 H new ATOM 270 N ALA A 17 9.535 24.441 -0.520 1.00 2.12 N ATOM 271 CA ALA A 17 8.423 25.172 0.076 1.00 33.54 C ATOM 272 C ALA A 17 8.861 25.809 1.386 1.00 24.54 C ATOM 273 O ALA A 17 8.400 26.890 1.750 1.00 1.33 O ATOM 274 CB ALA A 17 7.229 24.256 0.299 1.00 34.13 C ATOM 0 H ALA A 17 9.401 23.431 -0.570 1.00 2.12 H new ATOM 0 HA ALA A 17 8.117 25.959 -0.613 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.413 24.824 0.744 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.905 23.842 -0.656 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.513 23.444 0.968 1.00 34.13 H new ATOM 280 N GLY A 18 9.761 25.128 2.088 1.00 51.14 N ATOM 281 CA GLY A 18 10.326 25.673 3.304 1.00 30.22 C ATOM 282 C GLY A 18 11.254 26.846 3.040 1.00 44.24 C ATOM 283 O GLY A 18 11.489 27.669 3.927 1.00 11.14 O ATOM 0 H GLY A 18 10.109 24.204 1.833 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.520 25.993 3.964 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.875 24.891 3.828 1.00 30.22 H new ATOM 287 N TYR A 19 11.783 26.926 1.821 1.00 34.05 N ATOM 288 CA TYR A 19 12.681 28.012 1.439 1.00 45.12 C ATOM 289 C TYR A 19 12.464 28.416 -0.013 1.00 10.22 C ATOM 290 O TYR A 19 13.283 28.110 -0.880 1.00 41.13 O ATOM 291 CB TYR A 19 14.152 27.631 1.658 1.00 74.13 C ATOM 292 CG TYR A 19 14.592 27.718 3.100 1.00 10.41 C ATOM 293 CD1 TYR A 19 15.053 28.916 3.634 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.529 26.611 3.934 1.00 61.34 C ATOM 295 CE1 TYR A 19 15.442 29.005 4.954 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.912 26.696 5.257 1.00 73.24 C ATOM 297 CZ TYR A 19 15.367 27.893 5.762 1.00 34.14 C ATOM 298 OH TYR A 19 15.735 27.981 7.083 1.00 52.11 O ATOM 0 H TYR A 19 11.604 26.249 1.079 1.00 34.05 H new ATOM 0 HA TYR A 19 12.447 28.861 2.081 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.312 26.614 1.299 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.782 28.285 1.055 1.00 74.13 H new ATOM 0 HD1 TYR A 19 15.107 29.792 3.004 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.175 25.669 3.542 1.00 61.34 H new ATOM 0 HE1 TYR A 19 15.803 29.942 5.352 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.855 25.826 5.894 1.00 73.24 H new ATOM 0 HH TYR A 19 16.597 28.441 7.152 1.00 52.11 H new ATOM 308 N PRO A 20 11.355 29.121 -0.299 1.00 2.25 N ATOM 309 CA PRO A 20 11.038 29.577 -1.657 1.00 33.00 C ATOM 310 C PRO A 20 11.946 30.723 -2.081 1.00 63.40 C ATOM 311 O PRO A 20 11.854 31.237 -3.194 1.00 22.41 O ATOM 312 CB PRO A 20 9.588 30.049 -1.543 1.00 62.04 C ATOM 313 CG PRO A 20 9.429 30.445 -0.117 1.00 43.04 C ATOM 314 CD PRO A 20 10.321 29.525 0.674 1.00 11.52 C ATOM 0 HA PRO A 20 11.179 28.798 -2.406 1.00 33.00 H new ATOM 0 HB2 PRO A 20 9.391 30.888 -2.211 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.891 29.256 -1.813 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.713 31.487 0.032 1.00 43.04 H new ATOM 0 HG3 PRO A 20 8.391 30.349 0.201 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.757 30.032 1.535 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.772 28.664 1.055 1.00 11.52 H new ATOM 322 N GLU A 21 12.818 31.108 -1.168 1.00 2.11 N ATOM 323 CA GLU A 21 13.779 32.172 -1.393 1.00 73.24 C ATOM 324 C GLU A 21 15.172 31.583 -1.601 1.00 20.44 C ATOM 325 O GLU A 21 16.148 32.311 -1.776 1.00 40.30 O ATOM 326 CB GLU A 21 13.770 33.113 -0.187 1.00 43.24 C ATOM 327 CG GLU A 21 14.058 32.402 1.129 1.00 22.23 C ATOM 328 CD GLU A 21 13.654 33.210 2.341 1.00 20.12 C ATOM 329 OE1 GLU A 21 14.402 34.131 2.727 1.00 52.40 O ATOM 330 OE2 GLU A 21 12.585 32.920 2.919 1.00 51.00 O ATOM 0 H GLU A 21 12.880 30.687 -0.241 1.00 2.11 H new ATOM 0 HA GLU A 21 13.508 32.731 -2.289 1.00 73.24 H new ATOM 0 HB2 GLU A 21 14.512 33.896 -0.340 1.00 43.24 H new ATOM 0 HB3 GLU A 21 12.798 33.603 -0.123 1.00 43.24 H new ATOM 0 HG2 GLU A 21 13.530 31.449 1.143 1.00 22.23 H new ATOM 0 HG3 GLU A 21 15.123 32.177 1.188 1.00 22.23 H new ATOM 337 N GLY A 22 15.251 30.257 -1.584 1.00 34.52 N ATOM 338 CA GLY A 22 16.528 29.587 -1.697 1.00 33.44 C ATOM 339 C GLY A 22 17.082 29.204 -0.341 1.00 53.53 C ATOM 340 O GLY A 22 16.846 29.901 0.646 1.00 11.30 O ATOM 0 H GLY A 22 14.448 29.634 -1.493 1.00 34.52 H new ATOM 0 HA2 GLY A 22 16.417 28.693 -2.310 1.00 33.44 H new ATOM 0 HA3 GLY A 22 17.237 30.238 -2.209 1.00 33.44 H new ATOM 344 N ILE A 23 17.796 28.090 -0.280 1.00 21.02 N ATOM 345 CA ILE A 23 18.399 27.645 0.970 1.00 2.44 C ATOM 346 C ILE A 23 19.781 28.275 1.145 1.00 35.10 C ATOM 347 O ILE A 23 20.696 28.007 0.360 1.00 4.14 O ATOM 348 CB ILE A 23 18.535 26.100 1.055 1.00 73.03 C ATOM 349 CG1 ILE A 23 17.176 25.402 0.901 1.00 44.05 C ATOM 350 CG2 ILE A 23 19.179 25.694 2.374 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.701 25.287 -0.529 1.00 33.31 C ATOM 0 H ILE A 23 17.972 27.479 -1.077 1.00 21.02 H new ATOM 0 HA ILE A 23 17.729 27.966 1.768 1.00 2.44 H new ATOM 0 HB ILE A 23 19.173 25.783 0.230 1.00 73.03 H new ATOM 0 HG12 ILE A 23 17.241 24.403 1.332 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.431 25.950 1.477 1.00 44.05 H new ATOM 0 HG21 ILE A 23 19.267 24.608 2.417 1.00 11.14 H new ATOM 0 HG22 ILE A 23 20.170 26.141 2.448 1.00 11.14 H new ATOM 0 HG23 ILE A 23 18.562 26.041 3.202 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.735 24.783 -0.552 1.00 33.31 H new ATOM 0 HD12 ILE A 23 16.601 26.283 -0.960 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.424 24.712 -1.108 1.00 33.31 H new ATOM 363 N PRO A 24 19.935 29.141 2.161 1.00 3.32 N ATOM 364 CA PRO A 24 21.218 29.781 2.483 1.00 71.45 C ATOM 365 C PRO A 24 22.260 28.768 2.970 1.00 31.25 C ATOM 366 O PRO A 24 21.907 27.699 3.470 1.00 10.15 O ATOM 367 CB PRO A 24 20.865 30.766 3.610 1.00 34.22 C ATOM 368 CG PRO A 24 19.379 30.885 3.589 1.00 32.44 C ATOM 369 CD PRO A 24 18.864 29.581 3.064 1.00 74.45 C ATOM 0 HA PRO A 24 21.662 30.260 1.610 1.00 71.45 H new ATOM 0 HB2 PRO A 24 21.215 30.399 4.575 1.00 34.22 H new ATOM 0 HB3 PRO A 24 21.338 31.734 3.446 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.990 31.084 4.588 1.00 32.44 H new ATOM 0 HG3 PRO A 24 19.063 31.713 2.954 1.00 32.44 H new ATOM 0 HD2 PRO A 24 18.692 28.863 3.866 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.917 29.704 2.538 1.00 74.45 H new ATOM 377 N PRO A 25 23.560 29.097 2.839 1.00 35.02 N ATOM 378 CA PRO A 25 24.652 28.196 3.228 1.00 12.04 C ATOM 379 C PRO A 25 24.616 27.852 4.713 1.00 11.40 C ATOM 380 O PRO A 25 24.852 26.710 5.102 1.00 22.20 O ATOM 381 CB PRO A 25 25.923 28.988 2.890 1.00 2.20 C ATOM 382 CG PRO A 25 25.484 30.408 2.792 1.00 24.32 C ATOM 383 CD PRO A 25 24.065 30.370 2.303 1.00 72.20 C ATOM 0 HA PRO A 25 24.588 27.239 2.710 1.00 12.04 H new ATOM 0 HB2 PRO A 25 26.682 28.863 3.662 1.00 2.20 H new ATOM 0 HB3 PRO A 25 26.362 28.646 1.953 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.550 30.904 3.760 1.00 24.32 H new ATOM 0 HG3 PRO A 25 26.119 30.966 2.104 1.00 24.32 H new ATOM 0 HD2 PRO A 25 23.489 31.219 2.671 1.00 72.20 H new ATOM 0 HD3 PRO A 25 24.013 30.398 1.215 1.00 72.20 H new ATOM 391 N THR A 26 24.301 28.844 5.532 1.00 51.12 N ATOM 392 CA THR A 26 24.211 28.662 6.970 1.00 71.04 C ATOM 393 C THR A 26 23.109 27.671 7.326 1.00 51.20 C ATOM 394 O THR A 26 23.332 26.696 8.049 1.00 74.44 O ATOM 395 CB THR A 26 23.934 30.009 7.655 1.00 21.22 C ATOM 396 OG1 THR A 26 22.991 30.757 6.871 1.00 52.23 O ATOM 397 CG2 THR A 26 25.217 30.808 7.814 1.00 51.12 C ATOM 0 H THR A 26 24.102 29.794 5.219 1.00 51.12 H new ATOM 0 HA THR A 26 25.163 28.264 7.322 1.00 71.04 H new ATOM 0 HB THR A 26 23.523 29.819 8.646 1.00 21.22 H new ATOM 0 HG1 THR A 26 22.085 30.429 7.049 1.00 52.23 H new ATOM 0 HG21 THR A 26 24.996 31.758 8.301 1.00 51.12 H new ATOM 0 HG22 THR A 26 25.924 30.244 8.422 1.00 51.12 H new ATOM 0 HG23 THR A 26 25.652 30.996 6.833 1.00 51.12 H new ATOM 405 N ASP A 27 21.928 27.917 6.781 1.00 40.23 N ATOM 406 CA ASP A 27 20.763 27.086 7.042 1.00 64.21 C ATOM 407 C ASP A 27 20.933 25.700 6.436 1.00 23.45 C ATOM 408 O ASP A 27 20.328 24.736 6.902 1.00 13.20 O ATOM 409 CB ASP A 27 19.507 27.751 6.475 1.00 62.14 C ATOM 410 CG ASP A 27 19.279 29.135 7.046 1.00 1.21 C ATOM 411 OD1 ASP A 27 20.063 30.052 6.722 1.00 12.42 O ATOM 412 OD2 ASP A 27 18.312 29.315 7.814 1.00 22.33 O ATOM 0 H ASP A 27 21.750 28.696 6.147 1.00 40.23 H new ATOM 0 HA ASP A 27 20.659 26.977 8.122 1.00 64.21 H new ATOM 0 HB2 ASP A 27 19.593 27.818 5.390 1.00 62.14 H new ATOM 0 HB3 ASP A 27 18.640 27.126 6.688 1.00 62.14 H new ATOM 417 N SER A 28 21.761 25.605 5.401 1.00 54.23 N ATOM 418 CA SER A 28 22.017 24.335 4.731 1.00 53.34 C ATOM 419 C SER A 28 22.609 23.311 5.701 1.00 42.43 C ATOM 420 O SER A 28 22.329 22.118 5.592 1.00 42.13 O ATOM 421 CB SER A 28 22.953 24.539 3.535 1.00 4.45 C ATOM 422 OG SER A 28 23.151 23.330 2.819 1.00 12.42 O ATOM 0 H SER A 28 22.269 26.397 5.006 1.00 54.23 H new ATOM 0 HA SER A 28 21.065 23.948 4.369 1.00 53.34 H new ATOM 0 HB2 SER A 28 22.535 25.294 2.869 1.00 4.45 H new ATOM 0 HB3 SER A 28 23.914 24.918 3.884 1.00 4.45 H new ATOM 0 HG SER A 28 22.996 23.486 1.864 1.00 12.42 H new ATOM 428 N PHE A 29 23.417 23.776 6.651 1.00 42.55 N ATOM 429 CA PHE A 29 23.983 22.894 7.668 1.00 4.12 C ATOM 430 C PHE A 29 22.881 22.360 8.581 1.00 35.43 C ATOM 431 O PHE A 29 22.893 21.194 8.978 1.00 12.15 O ATOM 432 CB PHE A 29 25.039 23.623 8.504 1.00 33.34 C ATOM 433 CG PHE A 29 26.344 23.855 7.791 1.00 34.33 C ATOM 434 CD1 PHE A 29 26.518 24.953 6.968 1.00 60.53 C ATOM 435 CD2 PHE A 29 27.403 22.978 7.961 1.00 24.54 C ATOM 436 CE1 PHE A 29 27.723 25.176 6.328 1.00 42.44 C ATOM 437 CE2 PHE A 29 28.608 23.192 7.321 1.00 25.20 C ATOM 438 CZ PHE A 29 28.770 24.294 6.504 1.00 14.20 C ATOM 0 H PHE A 29 23.693 24.754 6.738 1.00 42.55 H new ATOM 0 HA PHE A 29 24.463 22.059 7.157 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.635 24.585 8.819 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.231 23.046 9.409 1.00 33.34 H new ATOM 0 HD1 PHE A 29 25.702 25.645 6.823 1.00 60.53 H new ATOM 0 HD2 PHE A 29 27.285 22.117 8.602 1.00 24.54 H new ATOM 0 HE1 PHE A 29 27.845 26.040 5.691 1.00 42.44 H new ATOM 0 HE2 PHE A 29 29.424 22.498 7.459 1.00 25.20 H new ATOM 0 HZ PHE A 29 29.712 24.465 6.005 1.00 14.20 H new ATOM 448 N ALA A 30 21.924 23.221 8.901 1.00 14.21 N ATOM 449 CA ALA A 30 20.792 22.834 9.733 1.00 35.22 C ATOM 450 C ALA A 30 19.891 21.858 8.982 1.00 13.34 C ATOM 451 O ALA A 30 19.455 20.844 9.533 1.00 31.42 O ATOM 452 CB ALA A 30 20.012 24.065 10.168 1.00 43.15 C ATOM 0 H ALA A 30 21.909 24.194 8.596 1.00 14.21 H new ATOM 0 HA ALA A 30 21.167 22.334 10.626 1.00 35.22 H new ATOM 0 HB1 ALA A 30 19.169 23.761 10.789 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.664 24.726 10.739 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.643 24.592 9.288 1.00 43.15 H new ATOM 458 N VAL A 31 19.631 22.167 7.714 1.00 22.11 N ATOM 459 CA VAL A 31 18.866 21.277 6.848 1.00 35.35 C ATOM 460 C VAL A 31 19.569 19.927 6.746 1.00 24.34 C ATOM 461 O VAL A 31 18.929 18.879 6.761 1.00 23.22 O ATOM 462 CB VAL A 31 18.683 21.876 5.432 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.887 20.934 4.540 1.00 65.31 C ATOM 464 CG2 VAL A 31 18.001 23.235 5.505 1.00 4.31 C ATOM 0 H VAL A 31 19.940 23.029 7.264 1.00 22.11 H new ATOM 0 HA VAL A 31 17.878 21.149 7.290 1.00 35.35 H new ATOM 0 HB VAL A 31 19.673 22.007 4.995 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.773 21.379 3.551 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.414 19.984 4.452 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.903 20.764 4.977 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.883 23.637 4.499 1.00 4.31 H new ATOM 0 HG22 VAL A 31 17.021 23.126 5.970 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.610 23.916 6.099 1.00 4.31 H new ATOM 474 N LEU A 32 20.895 19.970 6.665 1.00 10.50 N ATOM 475 CA LEU A 32 21.713 18.767 6.661 1.00 25.41 C ATOM 476 C LEU A 32 21.469 17.944 7.924 1.00 40.04 C ATOM 477 O LEU A 32 21.226 16.741 7.850 1.00 73.03 O ATOM 478 CB LEU A 32 23.192 19.154 6.555 1.00 30.42 C ATOM 479 CG LEU A 32 24.190 18.058 6.916 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.089 16.889 5.946 1.00 63.55 C ATOM 481 CD2 LEU A 32 25.601 18.620 6.938 1.00 45.32 C ATOM 0 H LEU A 32 21.429 20.837 6.601 1.00 10.50 H new ATOM 0 HA LEU A 32 21.438 18.156 5.801 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.391 19.479 5.534 1.00 30.42 H new ATOM 0 HB3 LEU A 32 23.372 20.011 7.204 1.00 30.42 H new ATOM 0 HG LEU A 32 23.948 17.687 7.912 1.00 42.24 H new ATOM 0 HD11 LEU A 32 24.811 16.121 6.225 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.083 16.472 5.983 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.301 17.236 4.935 1.00 63.55 H new ATOM 0 HD21 LEU A 32 26.304 17.828 7.197 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.849 19.018 5.954 1.00 45.32 H new ATOM 0 HD23 LEU A 32 25.664 19.417 7.679 1.00 45.32 H new ATOM 493 N ALA A 33 21.516 18.603 9.077 1.00 25.31 N ATOM 494 CA ALA A 33 21.274 17.938 10.355 1.00 12.22 C ATOM 495 C ALA A 33 19.888 17.308 10.395 1.00 4.10 C ATOM 496 O ALA A 33 19.701 16.230 10.956 1.00 40.14 O ATOM 497 CB ALA A 33 21.431 18.918 11.503 1.00 3.22 C ATOM 0 H ALA A 33 21.720 19.599 9.154 1.00 25.31 H new ATOM 0 HA ALA A 33 22.014 17.145 10.461 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.247 18.405 12.447 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.443 19.322 11.501 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.715 19.732 11.387 1.00 3.22 H new ATOM 503 N LEU A 34 18.920 17.995 9.804 1.00 53.14 N ATOM 504 CA LEU A 34 17.554 17.498 9.753 1.00 63.15 C ATOM 505 C LEU A 34 17.438 16.311 8.799 1.00 74.13 C ATOM 506 O LEU A 34 16.940 15.247 9.172 1.00 75.13 O ATOM 507 CB LEU A 34 16.605 18.608 9.304 1.00 2.44 C ATOM 508 CG LEU A 34 15.122 18.261 9.367 1.00 20.15 C ATOM 509 CD1 LEU A 34 14.695 18.011 10.805 1.00 40.53 C ATOM 510 CD2 LEU A 34 14.298 19.376 8.746 1.00 2.14 C ATOM 0 H LEU A 34 19.057 18.899 9.353 1.00 53.14 H new ATOM 0 HA LEU A 34 17.279 17.168 10.755 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.782 19.488 9.923 1.00 2.44 H new ATOM 0 HB3 LEU A 34 16.854 18.884 8.279 1.00 2.44 H new ATOM 0 HG LEU A 34 14.950 17.347 8.799 1.00 20.15 H new ATOM 0 HD11 LEU A 34 13.634 17.765 10.832 1.00 40.53 H new ATOM 0 HD12 LEU A 34 15.270 17.182 11.217 1.00 40.53 H new ATOM 0 HD13 LEU A 34 14.874 18.907 11.399 1.00 40.53 H new ATOM 0 HD21 LEU A 34 13.240 19.118 8.796 1.00 2.14 H new ATOM 0 HD22 LEU A 34 14.471 20.304 9.291 1.00 2.14 H new ATOM 0 HD23 LEU A 34 14.590 19.508 7.704 1.00 2.14 H new ATOM 522 N LEU A 35 17.916 16.495 7.574 1.00 33.13 N ATOM 523 CA LEU A 35 17.779 15.483 6.536 1.00 40.52 C ATOM 524 C LEU A 35 18.592 14.234 6.856 1.00 5.24 C ATOM 525 O LEU A 35 18.229 13.134 6.448 1.00 72.35 O ATOM 526 CB LEU A 35 18.199 16.038 5.173 1.00 55.52 C ATOM 527 CG LEU A 35 17.303 17.142 4.609 1.00 3.21 C ATOM 528 CD1 LEU A 35 17.796 17.569 3.235 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.855 16.678 4.539 1.00 64.40 C ATOM 0 H LEU A 35 18.404 17.340 7.275 1.00 33.13 H new ATOM 0 HA LEU A 35 16.726 15.205 6.498 1.00 40.52 H new ATOM 0 HB2 LEU A 35 19.215 16.424 5.255 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.227 15.216 4.458 1.00 55.52 H new ATOM 0 HG LEU A 35 17.351 18.001 5.278 1.00 3.21 H new ATOM 0 HD11 LEU A 35 17.150 18.355 2.845 1.00 51.22 H new ATOM 0 HD12 LEU A 35 18.816 17.944 3.315 1.00 51.22 H new ATOM 0 HD13 LEU A 35 17.776 16.714 2.559 1.00 51.22 H new ATOM 0 HD21 LEU A 35 15.235 17.479 4.135 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.784 15.803 3.893 1.00 64.40 H new ATOM 0 HD23 LEU A 35 15.507 16.419 5.539 1.00 64.40 H new ATOM 541 N CYS A 36 19.682 14.403 7.597 1.00 33.14 N ATOM 542 CA CYS A 36 20.538 13.281 7.985 1.00 11.42 C ATOM 543 C CYS A 36 19.775 12.281 8.855 1.00 12.21 C ATOM 544 O CYS A 36 20.188 11.131 9.012 1.00 70.34 O ATOM 545 CB CYS A 36 21.771 13.797 8.735 1.00 4.50 C ATOM 546 SG CYS A 36 22.918 12.503 9.269 1.00 54.32 S ATOM 0 H CYS A 36 19.997 15.309 7.944 1.00 33.14 H new ATOM 0 HA CYS A 36 20.857 12.767 7.078 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.306 14.497 8.092 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.441 14.357 9.610 1.00 4.50 H new ATOM 0 HG CYS A 36 22.273 11.384 9.414 1.00 54.32 H new ATOM 552 N ARG A 37 18.653 12.722 9.407 1.00 51.20 N ATOM 553 CA ARG A 37 17.835 11.884 10.274 1.00 34.43 C ATOM 554 C ARG A 37 16.771 11.151 9.458 1.00 14.35 C ATOM 555 O ARG A 37 15.980 10.375 9.995 1.00 42.53 O ATOM 556 CB ARG A 37 17.191 12.745 11.363 1.00 32.30 C ATOM 557 CG ARG A 37 18.212 13.548 12.154 1.00 43.23 C ATOM 558 CD ARG A 37 17.560 14.603 13.030 1.00 5.05 C ATOM 559 NE ARG A 37 16.837 14.033 14.166 1.00 43.43 N ATOM 560 CZ ARG A 37 16.270 14.770 15.124 1.00 2.44 C ATOM 561 NH1 ARG A 37 16.389 16.093 15.107 1.00 61.42 N ATOM 562 NH2 ARG A 37 15.612 14.187 16.117 1.00 55.24 N ATOM 0 H ARG A 37 18.286 13.663 9.268 1.00 51.20 H new ATOM 0 HA ARG A 37 18.468 11.135 10.749 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.474 13.426 10.905 1.00 32.30 H new ATOM 0 HB3 ARG A 37 16.632 12.104 12.044 1.00 32.30 H new ATOM 0 HG2 ARG A 37 18.798 12.873 12.777 1.00 43.23 H new ATOM 0 HG3 ARG A 37 18.906 14.029 11.465 1.00 43.23 H new ATOM 0 HD2 ARG A 37 18.326 15.285 13.399 1.00 5.05 H new ATOM 0 HD3 ARG A 37 16.871 15.194 12.427 1.00 5.05 H new ATOM 0 HE ARG A 37 16.762 13.018 14.230 1.00 43.43 H new ATOM 0 HH11 ARG A 37 16.915 16.548 14.361 1.00 61.42 H new ATOM 0 HH12 ARG A 37 15.955 16.654 15.840 1.00 61.42 H new ATOM 0 HH21 ARG A 37 15.537 13.170 16.152 1.00 55.24 H new ATOM 0 HH22 ARG A 37 15.181 14.755 16.846 1.00 55.24 H new ATOM 576 N ARG A 38 16.762 11.405 8.155 1.00 2.53 N ATOM 577 CA ARG A 38 15.828 10.756 7.244 1.00 2.05 C ATOM 578 C ARG A 38 16.581 10.030 6.131 1.00 61.41 C ATOM 579 O ARG A 38 16.199 8.935 5.723 1.00 11.31 O ATOM 580 CB ARG A 38 14.866 11.793 6.641 1.00 23.14 C ATOM 581 CG ARG A 38 13.935 11.256 5.552 1.00 24.55 C ATOM 582 CD ARG A 38 12.914 10.255 6.085 1.00 5.44 C ATOM 583 NE ARG A 38 13.491 8.931 6.333 1.00 52.14 N ATOM 584 CZ ARG A 38 12.819 7.915 6.872 1.00 24.15 C ATOM 585 NH1 ARG A 38 11.534 8.051 7.174 1.00 53.54 N ATOM 586 NH2 ARG A 38 13.423 6.752 7.083 1.00 25.01 N ATOM 0 H ARG A 38 17.398 12.062 7.703 1.00 2.53 H new ATOM 0 HA ARG A 38 15.250 10.023 7.807 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.258 12.212 7.443 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.453 12.612 6.225 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.410 12.090 5.086 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.531 10.780 4.774 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.486 10.639 7.011 1.00 5.44 H new ATOM 0 HD3 ARG A 38 12.096 10.162 5.370 1.00 5.44 H new ATOM 0 HE ARG A 38 14.467 8.778 6.077 1.00 52.14 H new ATOM 0 HH11 ARG A 38 11.058 8.935 6.993 1.00 53.54 H new ATOM 0 HH12 ARG A 38 11.022 7.271 7.587 1.00 53.54 H new ATOM 0 HH21 ARG A 38 14.405 6.634 6.832 1.00 25.01 H new ATOM 0 HH22 ARG A 38 12.905 5.976 7.496 1.00 25.01 H new ATOM 600 N LEU A 39 17.650 10.642 5.653 1.00 65.23 N ATOM 601 CA LEU A 39 18.409 10.109 4.533 1.00 20.15 C ATOM 602 C LEU A 39 19.908 10.181 4.813 1.00 65.21 C ATOM 603 O LEU A 39 20.352 10.982 5.636 1.00 43.15 O ATOM 604 CB LEU A 39 18.075 10.897 3.267 1.00 10.31 C ATOM 605 CG LEU A 39 16.674 10.666 2.695 1.00 51.21 C ATOM 606 CD1 LEU A 39 16.401 11.629 1.549 1.00 2.22 C ATOM 607 CD2 LEU A 39 16.521 9.227 2.226 1.00 20.33 C ATOM 0 H LEU A 39 18.016 11.518 6.027 1.00 65.23 H new ATOM 0 HA LEU A 39 18.137 9.063 4.392 1.00 20.15 H new ATOM 0 HB2 LEU A 39 18.190 11.960 3.481 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.807 10.645 2.500 1.00 10.31 H new ATOM 0 HG LEU A 39 15.945 10.852 3.484 1.00 51.21 H new ATOM 0 HD11 LEU A 39 15.401 11.451 1.154 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.471 12.655 1.911 1.00 2.22 H new ATOM 0 HD13 LEU A 39 17.136 11.472 0.759 1.00 2.22 H new ATOM 0 HD21 LEU A 39 15.519 9.080 1.822 1.00 20.33 H new ATOM 0 HD22 LEU A 39 17.259 9.016 1.452 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.675 8.552 3.068 1.00 20.33 H new ATOM 619 N SER A 40 20.680 9.347 4.127 1.00 0.33 N ATOM 620 CA SER A 40 22.125 9.324 4.304 1.00 2.24 C ATOM 621 C SER A 40 22.813 10.325 3.367 1.00 60.02 C ATOM 622 O SER A 40 22.157 10.998 2.568 1.00 20.13 O ATOM 623 CB SER A 40 22.668 7.912 4.082 1.00 31.30 C ATOM 624 OG SER A 40 22.146 7.005 5.041 1.00 44.04 O ATOM 0 H SER A 40 20.328 8.677 3.443 1.00 0.33 H new ATOM 0 HA SER A 40 22.346 9.622 5.329 1.00 2.24 H new ATOM 0 HB2 SER A 40 22.409 7.574 3.079 1.00 31.30 H new ATOM 0 HB3 SER A 40 23.756 7.924 4.143 1.00 31.30 H new ATOM 0 HG SER A 40 22.508 6.109 4.875 1.00 44.04 H new ATOM 630 N HIS A 41 24.137 10.408 3.474 1.00 13.31 N ATOM 631 CA HIS A 41 24.918 11.438 2.786 1.00 75.25 C ATOM 632 C HIS A 41 24.776 11.402 1.260 1.00 41.11 C ATOM 633 O HIS A 41 24.775 12.451 0.625 1.00 41.13 O ATOM 634 CB HIS A 41 26.399 11.366 3.193 1.00 10.05 C ATOM 635 CG HIS A 41 27.015 10.001 3.094 1.00 74.22 C ATOM 636 ND1 HIS A 41 27.108 9.147 4.170 1.00 64.11 N ATOM 637 CD2 HIS A 41 27.587 9.354 2.053 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.710 8.036 3.796 1.00 64.54 C ATOM 639 NE2 HIS A 41 28.013 8.133 2.516 1.00 43.23 N ATOM 0 H HIS A 41 24.698 9.768 4.036 1.00 13.31 H new ATOM 0 HA HIS A 41 24.502 12.393 3.108 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.967 12.052 2.565 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.496 11.719 4.220 1.00 10.05 H new ATOM 0 HD2 HIS A 41 27.690 9.728 1.045 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.920 7.188 4.431 1.00 64.54 H new ATOM 0 HE2 HIS A 41 28.486 7.419 1.961 1.00 43.23 H new ATOM 648 N ASP A 42 24.645 10.224 0.661 1.00 23.54 N ATOM 649 CA ASP A 42 24.511 10.147 -0.795 1.00 0.05 C ATOM 650 C ASP A 42 23.116 10.566 -1.233 1.00 12.44 C ATOM 651 O ASP A 42 22.943 11.171 -2.294 1.00 21.11 O ATOM 652 CB ASP A 42 24.825 8.747 -1.323 1.00 61.05 C ATOM 653 CG ASP A 42 26.308 8.527 -1.537 1.00 60.32 C ATOM 654 OD1 ASP A 42 26.809 8.844 -2.642 1.00 63.43 O ATOM 655 OD2 ASP A 42 26.980 8.032 -0.612 1.00 11.00 O ATOM 0 H ASP A 42 24.628 9.326 1.145 1.00 23.54 H new ATOM 0 HA ASP A 42 25.240 10.838 -1.219 1.00 0.05 H new ATOM 0 HB2 ASP A 42 24.449 8.004 -0.620 1.00 61.05 H new ATOM 0 HB3 ASP A 42 24.298 8.591 -2.264 1.00 61.05 H new ATOM 660 N GLU A 43 22.127 10.249 -0.412 1.00 14.52 N ATOM 661 CA GLU A 43 20.756 10.650 -0.684 1.00 51.01 C ATOM 662 C GLU A 43 20.616 12.165 -0.603 1.00 73.32 C ATOM 663 O GLU A 43 20.030 12.789 -1.491 1.00 20.03 O ATOM 664 CB GLU A 43 19.787 10.001 0.298 1.00 51.22 C ATOM 665 CG GLU A 43 19.663 8.494 0.170 1.00 54.12 C ATOM 666 CD GLU A 43 20.679 7.748 1.011 1.00 74.12 C ATOM 667 OE1 GLU A 43 21.844 7.618 0.576 1.00 43.22 O ATOM 668 OE2 GLU A 43 20.311 7.290 2.113 1.00 44.24 O ATOM 0 H GLU A 43 22.248 9.715 0.449 1.00 14.52 H new ATOM 0 HA GLU A 43 20.510 10.316 -1.692 1.00 51.01 H new ATOM 0 HB2 GLU A 43 20.106 10.240 1.313 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.801 10.445 0.161 1.00 51.22 H new ATOM 0 HG2 GLU A 43 18.659 8.190 0.467 1.00 54.12 H new ATOM 0 HG3 GLU A 43 19.786 8.211 -0.876 1.00 54.12 H new ATOM 675 N VAL A 44 21.156 12.758 0.454 1.00 12.04 N ATOM 676 CA VAL A 44 21.106 14.207 0.612 1.00 64.12 C ATOM 677 C VAL A 44 21.964 14.884 -0.459 1.00 44.32 C ATOM 678 O VAL A 44 21.645 15.973 -0.922 1.00 4.42 O ATOM 679 CB VAL A 44 21.523 14.678 2.026 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.598 14.087 3.078 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.970 14.324 2.330 1.00 41.02 C ATOM 0 H VAL A 44 21.630 12.263 1.210 1.00 12.04 H new ATOM 0 HA VAL A 44 20.065 14.504 0.485 1.00 64.12 H new ATOM 0 HB VAL A 44 21.436 15.764 2.052 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.906 14.429 4.066 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.575 14.409 2.885 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.649 12.999 3.038 1.00 55.54 H new ATOM 0 HG21 VAL A 44 23.227 14.670 3.331 1.00 41.02 H new ATOM 0 HG22 VAL A 44 23.099 13.243 2.276 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.623 14.804 1.601 1.00 41.02 H new ATOM 691 N LYS A 45 23.048 14.220 -0.848 1.00 40.31 N ATOM 692 CA LYS A 45 23.863 14.662 -1.974 1.00 12.13 C ATOM 693 C LYS A 45 23.022 14.706 -3.246 1.00 13.43 C ATOM 694 O LYS A 45 23.122 15.639 -4.045 1.00 15.20 O ATOM 695 CB LYS A 45 25.045 13.706 -2.158 1.00 61.33 C ATOM 696 CG LYS A 45 25.886 13.969 -3.393 1.00 2.02 C ATOM 697 CD LYS A 45 26.884 12.844 -3.605 1.00 33.13 C ATOM 698 CE LYS A 45 27.705 13.042 -4.866 1.00 75.13 C ATOM 699 NZ LYS A 45 28.534 11.846 -5.164 1.00 24.32 N ATOM 0 H LYS A 45 23.384 13.369 -0.397 1.00 40.31 H new ATOM 0 HA LYS A 45 24.240 15.664 -1.771 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.686 13.769 -1.278 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.666 12.685 -2.204 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.241 14.061 -4.267 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.414 14.916 -3.286 1.00 2.02 H new ATOM 0 HD2 LYS A 45 27.550 12.784 -2.744 1.00 33.13 H new ATOM 0 HD3 LYS A 45 26.352 11.894 -3.664 1.00 33.13 H new ATOM 0 HE2 LYS A 45 27.041 13.246 -5.706 1.00 75.13 H new ATOM 0 HE3 LYS A 45 28.349 13.914 -4.750 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 29.084 12.012 -6.031 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 29.183 11.667 -4.371 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 27.916 11.020 -5.298 1.00 24.32 H new ATOM 713 N ALA A 46 22.188 13.688 -3.423 1.00 24.01 N ATOM 714 CA ALA A 46 21.312 13.606 -4.581 1.00 74.23 C ATOM 715 C ALA A 46 20.267 14.720 -4.568 1.00 34.34 C ATOM 716 O ALA A 46 20.082 15.409 -5.571 1.00 23.14 O ATOM 717 CB ALA A 46 20.636 12.244 -4.641 1.00 34.25 C ATOM 0 H ALA A 46 22.101 12.905 -2.775 1.00 24.01 H new ATOM 0 HA ALA A 46 21.925 13.733 -5.473 1.00 74.23 H new ATOM 0 HB1 ALA A 46 19.984 12.200 -5.513 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.394 11.464 -4.714 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.045 12.091 -3.738 1.00 34.25 H new ATOM 723 N VAL A 47 19.591 14.900 -3.434 1.00 63.11 N ATOM 724 CA VAL A 47 18.532 15.902 -3.336 1.00 5.15 C ATOM 725 C VAL A 47 19.103 17.322 -3.382 1.00 71.40 C ATOM 726 O VAL A 47 18.479 18.225 -3.939 1.00 3.44 O ATOM 727 CB VAL A 47 17.662 15.706 -2.063 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.454 15.966 -0.793 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.424 16.587 -2.118 1.00 1.32 C ATOM 0 H VAL A 47 19.756 14.370 -2.578 1.00 63.11 H new ATOM 0 HA VAL A 47 17.886 15.763 -4.203 1.00 5.15 H new ATOM 0 HB VAL A 47 17.345 14.663 -2.040 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.810 15.818 0.074 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.296 15.276 -0.741 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.825 16.991 -0.799 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.829 16.435 -1.218 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.724 17.633 -2.182 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.830 16.326 -2.994 1.00 1.32 H new ATOM 739 N ALA A 48 20.299 17.514 -2.823 1.00 53.54 N ATOM 740 CA ALA A 48 20.970 18.811 -2.884 1.00 3.21 C ATOM 741 C ALA A 48 21.276 19.174 -4.330 1.00 22.54 C ATOM 742 O ALA A 48 20.989 20.284 -4.779 1.00 13.30 O ATOM 743 CB ALA A 48 22.252 18.795 -2.061 1.00 15.11 C ATOM 0 H ALA A 48 20.820 16.791 -2.326 1.00 53.54 H new ATOM 0 HA ALA A 48 20.304 19.564 -2.463 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.735 19.770 -2.121 1.00 15.11 H new ATOM 0 HB2 ALA A 48 22.014 18.571 -1.021 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.926 18.032 -2.452 1.00 15.11 H new ATOM 749 N ASN A 49 21.846 18.216 -5.053 1.00 73.23 N ATOM 750 CA ASN A 49 22.142 18.381 -6.470 1.00 11.34 C ATOM 751 C ASN A 49 20.858 18.648 -7.251 1.00 21.14 C ATOM 752 O ASN A 49 20.793 19.578 -8.052 1.00 34.35 O ATOM 753 CB ASN A 49 22.844 17.128 -7.002 1.00 24.22 C ATOM 754 CG ASN A 49 23.108 17.171 -8.494 1.00 72.24 C ATOM 755 OD1 ASN A 49 23.277 18.236 -9.087 1.00 13.43 O ATOM 756 ND2 ASN A 49 23.158 15.998 -9.112 1.00 34.41 N ATOM 0 H ASN A 49 22.114 17.308 -4.675 1.00 73.23 H new ATOM 0 HA ASN A 49 22.805 19.237 -6.598 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.791 17.001 -6.477 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.233 16.254 -6.774 1.00 24.22 H new ATOM 0 HD21 ASN A 49 23.342 15.957 -10.114 1.00 34.41 H new ATOM 0 HD22 ASN A 49 23.012 15.137 -8.585 1.00 34.41 H new ATOM 763 N GLU A 50 19.834 17.840 -6.981 1.00 63.12 N ATOM 764 CA GLU A 50 18.532 17.989 -7.622 1.00 22.12 C ATOM 765 C GLU A 50 17.991 19.405 -7.426 1.00 22.40 C ATOM 766 O GLU A 50 17.677 20.097 -8.395 1.00 61.11 O ATOM 767 CB GLU A 50 17.549 16.974 -7.018 1.00 3.54 C ATOM 768 CG GLU A 50 16.111 17.121 -7.501 1.00 54.34 C ATOM 769 CD GLU A 50 15.921 16.685 -8.940 1.00 12.15 C ATOM 770 OE1 GLU A 50 16.154 15.497 -9.247 1.00 72.03 O ATOM 771 OE2 GLU A 50 15.519 17.525 -9.773 1.00 13.25 O ATOM 0 H GLU A 50 19.884 17.069 -6.316 1.00 63.12 H new ATOM 0 HA GLU A 50 18.645 17.807 -8.691 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.896 15.968 -7.252 1.00 3.54 H new ATOM 0 HB3 GLU A 50 17.566 17.073 -5.933 1.00 3.54 H new ATOM 0 HG2 GLU A 50 15.456 16.531 -6.859 1.00 54.34 H new ATOM 0 HG3 GLU A 50 15.804 18.162 -7.399 1.00 54.34 H new ATOM 778 N LEU A 51 17.934 19.834 -6.172 1.00 72.23 N ATOM 779 CA LEU A 51 17.344 21.118 -5.816 1.00 55.41 C ATOM 780 C LEU A 51 18.147 22.271 -6.425 1.00 24.41 C ATOM 781 O LEU A 51 17.575 23.236 -6.936 1.00 62.31 O ATOM 782 CB LEU A 51 17.279 21.246 -4.285 1.00 14.10 C ATOM 783 CG LEU A 51 16.196 22.184 -3.721 1.00 34.30 C ATOM 784 CD1 LEU A 51 16.505 23.640 -4.024 1.00 63.41 C ATOM 785 CD2 LEU A 51 14.830 21.812 -4.271 1.00 30.24 C ATOM 0 H LEU A 51 18.293 19.305 -5.377 1.00 72.23 H new ATOM 0 HA LEU A 51 16.333 21.169 -6.219 1.00 55.41 H new ATOM 0 HB2 LEU A 51 17.122 20.252 -3.866 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.250 21.592 -3.930 1.00 14.10 H new ATOM 0 HG LEU A 51 16.187 22.062 -2.638 1.00 34.30 H new ATOM 0 HD11 LEU A 51 15.719 24.272 -3.611 1.00 63.41 H new ATOM 0 HD12 LEU A 51 17.461 23.910 -3.576 1.00 63.41 H new ATOM 0 HD13 LEU A 51 16.557 23.784 -5.103 1.00 63.41 H new ATOM 0 HD21 LEU A 51 14.077 22.486 -3.861 1.00 30.24 H new ATOM 0 HD22 LEU A 51 14.840 21.897 -5.358 1.00 30.24 H new ATOM 0 HD23 LEU A 51 14.591 20.787 -3.989 1.00 30.24 H new ATOM 797 N MET A 52 19.471 22.161 -6.388 1.00 34.31 N ATOM 798 CA MET A 52 20.337 23.214 -6.918 1.00 22.22 C ATOM 799 C MET A 52 20.122 23.421 -8.411 1.00 41.23 C ATOM 800 O MET A 52 20.278 24.533 -8.911 1.00 64.42 O ATOM 801 CB MET A 52 21.812 22.926 -6.643 1.00 43.15 C ATOM 802 CG MET A 52 22.220 23.168 -5.202 1.00 23.10 C ATOM 803 SD MET A 52 24.006 23.141 -4.970 1.00 2.50 S ATOM 804 CE MET A 52 24.109 23.547 -3.232 1.00 45.22 C ATOM 0 H MET A 52 19.968 21.359 -5.999 1.00 34.31 H new ATOM 0 HA MET A 52 20.061 24.131 -6.398 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.026 21.889 -6.903 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.423 23.551 -7.295 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.830 24.132 -4.876 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.764 22.408 -4.567 1.00 23.10 H new ATOM 0 HE1 MET A 52 25.118 23.348 -2.871 1.00 45.22 H new ATOM 0 HE2 MET A 52 23.874 24.602 -3.090 1.00 45.22 H new ATOM 0 HE3 MET A 52 23.398 22.939 -2.673 1.00 45.22 H new ATOM 814 N ARG A 53 19.771 22.354 -9.121 1.00 0.12 N ATOM 815 CA ARG A 53 19.550 22.442 -10.560 1.00 31.34 C ATOM 816 C ARG A 53 18.297 23.258 -10.882 1.00 53.14 C ATOM 817 O ARG A 53 18.115 23.709 -12.014 1.00 11.32 O ATOM 818 CB ARG A 53 19.435 21.049 -11.186 1.00 43.45 C ATOM 819 CG ARG A 53 20.668 20.179 -10.995 1.00 71.50 C ATOM 820 CD ARG A 53 21.939 20.888 -11.439 1.00 51.30 C ATOM 821 NE ARG A 53 21.883 21.301 -12.838 1.00 54.25 N ATOM 822 CZ ARG A 53 22.920 21.264 -13.670 1.00 53.43 C ATOM 823 NH1 ARG A 53 24.097 20.801 -13.261 1.00 52.52 N ATOM 824 NH2 ARG A 53 22.774 21.692 -14.915 1.00 40.44 N ATOM 0 H ARG A 53 19.634 21.423 -8.727 1.00 0.12 H new ATOM 0 HA ARG A 53 20.414 22.950 -10.988 1.00 31.34 H new ATOM 0 HB2 ARG A 53 18.573 20.539 -10.755 1.00 43.45 H new ATOM 0 HB3 ARG A 53 19.241 21.157 -12.253 1.00 43.45 H new ATOM 0 HG2 ARG A 53 20.756 19.900 -9.945 1.00 71.50 H new ATOM 0 HG3 ARG A 53 20.551 19.255 -11.561 1.00 71.50 H new ATOM 0 HD2 ARG A 53 22.103 21.763 -10.810 1.00 51.30 H new ATOM 0 HD3 ARG A 53 22.792 20.226 -11.292 1.00 51.30 H new ATOM 0 HE ARG A 53 20.992 21.640 -13.201 1.00 54.25 H new ATOM 0 HH11 ARG A 53 24.210 20.471 -12.303 1.00 52.52 H new ATOM 0 HH12 ARG A 53 24.887 20.776 -13.906 1.00 52.52 H new ATOM 0 HH21 ARG A 53 21.871 22.047 -15.230 1.00 40.44 H new ATOM 0 HH22 ARG A 53 23.565 21.667 -15.559 1.00 40.44 H new ATOM 838 N LEU A 54 17.432 23.438 -9.890 1.00 71.25 N ATOM 839 CA LEU A 54 16.251 24.282 -10.052 1.00 62.34 C ATOM 840 C LEU A 54 16.625 25.750 -9.870 1.00 22.45 C ATOM 841 O LEU A 54 15.951 26.646 -10.379 1.00 5.15 O ATOM 842 CB LEU A 54 15.148 23.898 -9.055 1.00 64.53 C ATOM 843 CG LEU A 54 14.278 22.691 -9.441 1.00 41.12 C ATOM 844 CD1 LEU A 54 13.626 22.908 -10.799 1.00 41.11 C ATOM 845 CD2 LEU A 54 15.086 21.402 -9.435 1.00 13.34 C ATOM 0 H LEU A 54 17.525 23.013 -8.967 1.00 71.25 H new ATOM 0 HA LEU A 54 15.866 24.128 -11.060 1.00 62.34 H new ATOM 0 HB2 LEU A 54 15.613 23.691 -8.091 1.00 64.53 H new ATOM 0 HB3 LEU A 54 14.496 24.760 -8.916 1.00 64.53 H new ATOM 0 HG LEU A 54 13.492 22.596 -8.692 1.00 41.12 H new ATOM 0 HD11 LEU A 54 13.015 22.041 -11.052 1.00 41.11 H new ATOM 0 HD12 LEU A 54 12.997 23.797 -10.763 1.00 41.11 H new ATOM 0 HD13 LEU A 54 14.398 23.041 -11.556 1.00 41.11 H new ATOM 0 HD21 LEU A 54 14.442 20.568 -9.712 1.00 13.34 H new ATOM 0 HD22 LEU A 54 15.904 21.482 -10.151 1.00 13.34 H new ATOM 0 HD23 LEU A 54 15.492 21.232 -8.438 1.00 13.34 H new ATOM 857 N GLY A 55 17.712 25.984 -9.148 1.00 41.21 N ATOM 858 CA GLY A 55 18.182 27.338 -8.926 1.00 63.30 C ATOM 859 C GLY A 55 17.719 27.907 -7.600 1.00 62.12 C ATOM 860 O GLY A 55 18.115 29.007 -7.217 1.00 34.14 O ATOM 0 H GLY A 55 18.279 25.258 -8.710 1.00 41.21 H new ATOM 0 HA2 GLY A 55 19.271 27.351 -8.962 1.00 63.30 H new ATOM 0 HA3 GLY A 55 17.829 27.978 -9.735 1.00 63.30 H new ATOM 864 N ASP A 56 16.900 27.148 -6.882 1.00 0.02 N ATOM 865 CA ASP A 56 16.342 27.603 -5.609 1.00 15.42 C ATOM 866 C ASP A 56 17.283 27.292 -4.451 1.00 64.31 C ATOM 867 O ASP A 56 16.848 26.932 -3.359 1.00 71.51 O ATOM 868 CB ASP A 56 14.978 26.958 -5.362 1.00 73.02 C ATOM 869 CG ASP A 56 13.946 27.396 -6.376 1.00 5.42 C ATOM 870 OD1 ASP A 56 13.342 28.474 -6.191 1.00 72.25 O ATOM 871 OD2 ASP A 56 13.735 26.672 -7.370 1.00 0.31 O ATOM 0 H ASP A 56 16.605 26.211 -7.159 1.00 0.02 H new ATOM 0 HA ASP A 56 16.219 28.684 -5.668 1.00 15.42 H new ATOM 0 HB2 ASP A 56 15.080 25.873 -5.395 1.00 73.02 H new ATOM 0 HB3 ASP A 56 14.633 27.215 -4.361 1.00 73.02 H new ATOM 876 N PHE A 57 18.570 27.459 -4.686 1.00 41.20 N ATOM 877 CA PHE A 57 19.578 27.201 -3.673 1.00 0.01 C ATOM 878 C PHE A 57 20.650 28.274 -3.765 1.00 54.22 C ATOM 879 O PHE A 57 20.823 28.887 -4.818 1.00 53.24 O ATOM 880 CB PHE A 57 20.197 25.815 -3.888 1.00 1.34 C ATOM 881 CG PHE A 57 20.419 25.028 -2.623 1.00 74.43 C ATOM 882 CD1 PHE A 57 21.404 25.392 -1.716 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.646 23.910 -2.350 1.00 53.03 C ATOM 884 CE1 PHE A 57 21.609 24.657 -0.564 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.846 23.174 -1.198 1.00 74.50 C ATOM 886 CZ PHE A 57 20.829 23.548 -0.305 1.00 15.54 C ATOM 0 H PHE A 57 18.946 27.776 -5.580 1.00 41.20 H new ATOM 0 HA PHE A 57 19.121 27.223 -2.684 1.00 0.01 H new ATOM 0 HB2 PHE A 57 19.549 25.240 -4.550 1.00 1.34 H new ATOM 0 HB3 PHE A 57 21.152 25.933 -4.400 1.00 1.34 H new ATOM 0 HD1 PHE A 57 22.017 26.259 -1.913 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.877 23.610 -3.047 1.00 53.03 H new ATOM 0 HE1 PHE A 57 22.379 24.950 0.134 1.00 53.11 H new ATOM 0 HE2 PHE A 57 19.234 22.307 -0.997 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.988 22.974 0.596 1.00 15.54 H new ATOM 896 N ASP A 58 21.365 28.506 -2.673 1.00 55.52 N ATOM 897 CA ASP A 58 22.443 29.493 -2.665 1.00 42.31 C ATOM 898 C ASP A 58 23.610 29.009 -3.525 1.00 31.30 C ATOM 899 O ASP A 58 24.450 29.801 -3.953 1.00 23.35 O ATOM 900 CB ASP A 58 22.910 29.752 -1.230 1.00 72.43 C ATOM 901 CG ASP A 58 23.830 30.953 -1.113 1.00 71.31 C ATOM 902 OD1 ASP A 58 25.058 30.786 -1.245 1.00 11.45 O ATOM 903 OD2 ASP A 58 23.329 32.069 -0.874 1.00 3.53 O ATOM 0 H ASP A 58 21.221 28.028 -1.783 1.00 55.52 H new ATOM 0 HA ASP A 58 22.067 30.427 -3.084 1.00 42.31 H new ATOM 0 HB2 ASP A 58 22.039 29.905 -0.593 1.00 72.43 H new ATOM 0 HB3 ASP A 58 23.427 28.868 -0.857 1.00 72.43 H new ATOM 908 N GLN A 59 23.622 27.701 -3.794 1.00 65.13 N ATOM 909 CA GLN A 59 24.678 27.051 -4.573 1.00 61.52 C ATOM 910 C GLN A 59 26.020 27.168 -3.862 1.00 42.02 C ATOM 911 O GLN A 59 26.746 28.151 -4.019 1.00 22.20 O ATOM 912 CB GLN A 59 24.764 27.610 -5.998 1.00 52.04 C ATOM 913 CG GLN A 59 23.514 27.361 -6.827 1.00 33.10 C ATOM 914 CD GLN A 59 23.688 27.754 -8.282 1.00 42.12 C ATOM 915 OE1 GLN A 59 24.458 28.659 -8.608 1.00 43.20 O ATOM 916 NE2 GLN A 59 22.970 27.073 -9.163 1.00 63.24 N ATOM 0 H GLN A 59 22.895 27.060 -3.476 1.00 65.13 H new ATOM 0 HA GLN A 59 24.420 25.995 -4.656 1.00 61.52 H new ATOM 0 HB2 GLN A 59 24.948 28.683 -5.948 1.00 52.04 H new ATOM 0 HB3 GLN A 59 25.620 27.163 -6.504 1.00 52.04 H new ATOM 0 HG2 GLN A 59 23.249 26.305 -6.769 1.00 33.10 H new ATOM 0 HG3 GLN A 59 22.682 27.922 -6.400 1.00 33.10 H new ATOM 0 HE21 GLN A 59 22.345 26.331 -8.847 1.00 63.24 H new ATOM 0 HE22 GLN A 59 23.042 27.290 -10.157 1.00 63.24 H new ATOM 925 N ILE A 60 26.328 26.153 -3.074 1.00 73.33 N ATOM 926 CA ILE A 60 27.511 26.150 -2.229 1.00 52.00 C ATOM 927 C ILE A 60 28.303 24.864 -2.430 1.00 62.32 C ATOM 928 O ILE A 60 27.923 24.015 -3.241 1.00 61.30 O ATOM 929 CB ILE A 60 27.120 26.273 -0.742 1.00 22.03 C ATOM 930 CG1 ILE A 60 26.111 25.176 -0.377 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.559 27.659 -0.449 1.00 12.40 C ATOM 932 CD1 ILE A 60 25.547 25.298 1.019 1.00 34.21 C ATOM 0 H ILE A 60 25.764 25.306 -3.001 1.00 73.33 H new ATOM 0 HA ILE A 60 28.125 27.005 -2.511 1.00 52.00 H new ATOM 0 HB ILE A 60 28.010 26.140 -0.127 1.00 22.03 H new ATOM 0 HG12 ILE A 60 25.289 25.200 -1.093 1.00 74.12 H new ATOM 0 HG13 ILE A 60 26.594 24.204 -0.479 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.289 27.727 0.605 1.00 12.40 H new ATOM 0 HG22 ILE A 60 27.312 28.413 -0.680 1.00 12.40 H new ATOM 0 HG23 ILE A 60 25.674 27.831 -1.062 1.00 12.40 H new ATOM 0 HD11 ILE A 60 24.843 24.486 1.199 1.00 34.21 H new ATOM 0 HD12 ILE A 60 26.358 25.243 1.745 1.00 34.21 H new ATOM 0 HD13 ILE A 60 25.033 26.254 1.122 1.00 34.21 H new ATOM 944 N ASP A 61 29.395 24.721 -1.692 1.00 74.15 N ATOM 945 CA ASP A 61 30.201 23.510 -1.750 1.00 11.11 C ATOM 946 C ASP A 61 29.559 22.420 -0.900 1.00 32.54 C ATOM 947 O ASP A 61 29.749 22.370 0.315 1.00 44.33 O ATOM 948 CB ASP A 61 31.634 23.781 -1.279 1.00 43.43 C ATOM 949 CG ASP A 61 32.361 24.779 -2.161 1.00 44.22 C ATOM 950 OD1 ASP A 61 32.704 24.427 -3.309 1.00 63.43 O ATOM 951 OD2 ASP A 61 32.606 25.915 -1.704 1.00 51.15 O ATOM 0 H ASP A 61 29.743 25.429 -1.046 1.00 74.15 H new ATOM 0 HA ASP A 61 30.247 23.174 -2.786 1.00 11.11 H new ATOM 0 HB2 ASP A 61 31.611 24.156 -0.256 1.00 43.43 H new ATOM 0 HB3 ASP A 61 32.190 22.844 -1.263 1.00 43.43 H new ATOM 956 N ILE A 62 28.788 21.558 -1.550 1.00 1.14 N ATOM 957 CA ILE A 62 28.041 20.514 -0.859 1.00 44.54 C ATOM 958 C ILE A 62 28.973 19.494 -0.214 1.00 35.03 C ATOM 959 O ILE A 62 28.729 19.050 0.910 1.00 21.22 O ATOM 960 CB ILE A 62 27.050 19.815 -1.822 1.00 53.15 C ATOM 961 CG1 ILE A 62 25.886 20.752 -2.136 1.00 34.35 C ATOM 962 CG2 ILE A 62 26.535 18.505 -1.242 1.00 21.32 C ATOM 963 CD1 ILE A 62 25.091 21.166 -0.912 1.00 32.22 C ATOM 0 H ILE A 62 28.663 21.562 -2.562 1.00 1.14 H new ATOM 0 HA ILE A 62 27.469 20.992 -0.064 1.00 44.54 H new ATOM 0 HB ILE A 62 27.582 19.579 -2.743 1.00 53.15 H new ATOM 0 HG12 ILE A 62 26.272 21.645 -2.627 1.00 34.35 H new ATOM 0 HG13 ILE A 62 25.218 20.263 -2.844 1.00 34.35 H new ATOM 0 HG21 ILE A 62 25.842 18.043 -1.945 1.00 21.32 H new ATOM 0 HG22 ILE A 62 27.373 17.832 -1.063 1.00 21.32 H new ATOM 0 HG23 ILE A 62 26.020 18.701 -0.302 1.00 21.32 H new ATOM 0 HD11 ILE A 62 24.281 21.831 -1.212 1.00 32.22 H new ATOM 0 HD12 ILE A 62 24.675 20.280 -0.432 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.745 21.685 -0.211 1.00 32.22 H new ATOM 975 N GLY A 63 30.050 19.150 -0.912 1.00 31.43 N ATOM 976 CA GLY A 63 31.005 18.192 -0.382 1.00 52.11 C ATOM 977 C GLY A 63 31.619 18.651 0.928 1.00 31.22 C ATOM 978 O GLY A 63 31.948 17.837 1.793 1.00 14.54 O ATOM 0 H GLY A 63 30.279 19.517 -1.836 1.00 31.43 H new ATOM 0 HA2 GLY A 63 30.508 17.234 -0.231 1.00 52.11 H new ATOM 0 HA3 GLY A 63 31.796 18.029 -1.114 1.00 52.11 H new ATOM 982 N VAL A 64 31.754 19.958 1.081 1.00 13.42 N ATOM 983 CA VAL A 64 32.318 20.538 2.290 1.00 34.32 C ATOM 984 C VAL A 64 31.320 20.464 3.446 1.00 53.31 C ATOM 985 O VAL A 64 31.704 20.260 4.596 1.00 3.43 O ATOM 986 CB VAL A 64 32.741 22.010 2.057 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.264 22.641 3.339 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.793 22.091 0.960 1.00 21.11 C ATOM 0 H VAL A 64 31.478 20.643 0.377 1.00 13.42 H new ATOM 0 HA VAL A 64 33.203 19.958 2.550 1.00 34.32 H new ATOM 0 HB VAL A 64 31.859 22.568 1.742 1.00 54.13 H new ATOM 0 HG11 VAL A 64 33.553 23.674 3.145 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.484 22.620 4.100 1.00 30.14 H new ATOM 0 HG13 VAL A 64 34.130 22.082 3.692 1.00 30.14 H new ATOM 0 HG21 VAL A 64 34.080 23.131 0.808 1.00 21.11 H new ATOM 0 HG22 VAL A 64 34.669 21.512 1.252 1.00 21.11 H new ATOM 0 HG23 VAL A 64 33.384 21.688 0.033 1.00 21.11 H new ATOM 998 N VAL A 65 30.038 20.612 3.129 1.00 25.53 N ATOM 999 CA VAL A 65 29.008 20.683 4.160 1.00 41.35 C ATOM 1000 C VAL A 65 28.517 19.299 4.594 1.00 15.00 C ATOM 1001 O VAL A 65 28.571 18.964 5.776 1.00 61.02 O ATOM 1002 CB VAL A 65 27.796 21.511 3.669 1.00 41.42 C ATOM 1003 CG1 VAL A 65 26.678 21.525 4.704 1.00 52.00 C ATOM 1004 CG2 VAL A 65 28.219 22.933 3.332 1.00 63.33 C ATOM 0 H VAL A 65 29.689 20.685 2.173 1.00 25.53 H new ATOM 0 HA VAL A 65 29.470 21.168 5.020 1.00 41.35 H new ATOM 0 HB VAL A 65 27.415 21.035 2.766 1.00 41.42 H new ATOM 0 HG11 VAL A 65 25.842 22.115 4.328 1.00 52.00 H new ATOM 0 HG12 VAL A 65 26.346 20.505 4.894 1.00 52.00 H new ATOM 0 HG13 VAL A 65 27.046 21.966 5.631 1.00 52.00 H new ATOM 0 HG21 VAL A 65 27.353 23.499 2.989 1.00 63.33 H new ATOM 0 HG22 VAL A 65 28.635 23.409 4.220 1.00 63.33 H new ATOM 0 HG23 VAL A 65 28.973 22.911 2.545 1.00 63.33 H new ATOM 1014 N ILE A 66 28.069 18.482 3.643 1.00 60.32 N ATOM 1015 CA ILE A 66 27.396 17.230 3.994 1.00 21.23 C ATOM 1016 C ILE A 66 28.378 16.114 4.345 1.00 32.33 C ATOM 1017 O ILE A 66 28.209 15.424 5.350 1.00 44.40 O ATOM 1018 CB ILE A 66 26.426 16.740 2.885 1.00 4.44 C ATOM 1019 CG1 ILE A 66 27.180 16.340 1.618 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.400 17.823 2.572 1.00 30.33 C ATOM 1021 CD1 ILE A 66 26.328 15.587 0.624 1.00 22.24 C ATOM 0 H ILE A 66 28.156 18.657 2.642 1.00 60.32 H new ATOM 0 HA ILE A 66 26.810 17.464 4.882 1.00 21.23 H new ATOM 0 HB ILE A 66 25.910 15.854 3.256 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.575 17.237 1.141 1.00 1.10 H new ATOM 0 HG13 ILE A 66 28.035 15.723 1.893 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.724 17.470 1.793 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.828 18.054 3.471 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.913 18.721 2.228 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.927 15.335 -0.251 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.955 14.672 1.084 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.487 16.210 0.320 1.00 22.24 H new ATOM 1033 N THR A 67 29.407 15.939 3.531 1.00 14.14 N ATOM 1034 CA THR A 67 30.327 14.829 3.713 1.00 50.13 C ATOM 1035 C THR A 67 31.513 15.223 4.581 1.00 71.42 C ATOM 1036 O THR A 67 32.502 14.497 4.669 1.00 32.31 O ATOM 1037 CB THR A 67 30.815 14.279 2.359 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.120 15.359 1.464 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.759 13.382 1.727 1.00 74.34 C ATOM 0 H THR A 67 29.625 16.548 2.742 1.00 14.14 H new ATOM 0 HA THR A 67 29.778 14.040 4.227 1.00 50.13 H new ATOM 0 HB THR A 67 31.715 13.692 2.539 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.417 16.137 1.980 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.126 13.005 0.772 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.549 12.544 2.391 1.00 74.34 H new ATOM 0 HG23 THR A 67 28.845 13.954 1.565 1.00 74.34 H new ATOM 1047 N HIS A 68 31.406 16.364 5.240 1.00 62.10 N ATOM 1048 CA HIS A 68 32.449 16.804 6.147 1.00 75.44 C ATOM 1049 C HIS A 68 31.840 17.478 7.372 1.00 63.13 C ATOM 1050 O HIS A 68 31.921 18.695 7.533 1.00 34.35 O ATOM 1051 CB HIS A 68 33.428 17.745 5.432 1.00 73.14 C ATOM 1052 CG HIS A 68 34.632 18.111 6.252 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.497 19.127 5.911 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.114 17.586 7.406 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.451 19.214 6.818 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.241 18.291 7.734 1.00 54.52 N ATOM 0 H HIS A 68 30.611 16.999 5.164 1.00 62.10 H new ATOM 0 HA HIS A 68 33.008 15.930 6.482 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.761 17.273 4.508 1.00 73.14 H new ATOM 0 HB3 HIS A 68 32.901 18.657 5.152 1.00 73.14 H new ATOM 0 HD2 HIS A 68 34.688 16.764 7.963 1.00 52.12 H new ATOM 0 HE1 HIS A 68 37.266 19.922 6.811 1.00 12.54 H new ATOM 0 HE2 HIS A 68 36.824 18.128 8.555 1.00 54.52 H new ATOM 1065 N PHE A 69 31.207 16.679 8.222 1.00 30.31 N ATOM 1066 CA PHE A 69 30.689 17.173 9.491 1.00 22.22 C ATOM 1067 C PHE A 69 31.823 17.679 10.373 1.00 3.34 C ATOM 1068 O PHE A 69 32.910 17.102 10.404 1.00 14.12 O ATOM 1069 CB PHE A 69 29.915 16.081 10.239 1.00 5.11 C ATOM 1070 CG PHE A 69 28.493 15.906 9.784 1.00 12.44 C ATOM 1071 CD1 PHE A 69 27.478 16.667 10.346 1.00 75.14 C ATOM 1072 CD2 PHE A 69 28.168 14.973 8.815 1.00 70.53 C ATOM 1073 CE1 PHE A 69 26.167 16.501 9.944 1.00 11.41 C ATOM 1074 CE2 PHE A 69 26.857 14.802 8.410 1.00 1.20 C ATOM 1075 CZ PHE A 69 25.856 15.567 8.976 1.00 61.22 C ATOM 0 H PHE A 69 31.040 15.687 8.055 1.00 30.31 H new ATOM 0 HA PHE A 69 30.009 17.995 9.267 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.441 15.134 10.120 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.917 16.315 11.303 1.00 5.11 H new ATOM 0 HD1 PHE A 69 27.716 17.397 11.106 1.00 75.14 H new ATOM 0 HD2 PHE A 69 28.947 14.372 8.370 1.00 70.53 H new ATOM 0 HE1 PHE A 69 25.386 17.101 10.387 1.00 11.41 H new ATOM 0 HE2 PHE A 69 26.616 14.071 7.652 1.00 1.20 H new ATOM 0 HZ PHE A 69 24.831 15.435 8.662 1.00 61.22 H new ATOM 1085 N THR A 70 31.568 18.770 11.071 1.00 73.34 N ATOM 1086 CA THR A 70 32.517 19.304 12.028 1.00 1.43 C ATOM 1087 C THR A 70 31.974 19.088 13.439 1.00 12.24 C ATOM 1088 O THR A 70 30.786 18.835 13.609 1.00 70.15 O ATOM 1089 CB THR A 70 32.763 20.805 11.770 1.00 44.13 C ATOM 1090 OG1 THR A 70 32.924 21.023 10.364 1.00 53.25 O ATOM 1091 CG2 THR A 70 34.006 21.297 12.497 1.00 54.12 C ATOM 0 H THR A 70 30.704 19.307 10.991 1.00 73.34 H new ATOM 0 HA THR A 70 33.470 18.785 11.920 1.00 1.43 H new ATOM 0 HB THR A 70 31.904 21.360 12.146 1.00 44.13 H new ATOM 0 HG1 THR A 70 33.079 21.976 10.196 1.00 53.25 H new ATOM 0 HG21 THR A 70 34.150 22.358 12.294 1.00 54.12 H new ATOM 0 HG22 THR A 70 33.884 21.146 13.570 1.00 54.12 H new ATOM 0 HG23 THR A 70 34.876 20.740 12.149 1.00 54.12 H new ATOM 1099 N ASP A 71 32.831 19.171 14.443 1.00 4.40 N ATOM 1100 CA ASP A 71 32.406 18.945 15.819 1.00 51.42 C ATOM 1101 C ASP A 71 31.667 20.155 16.394 1.00 70.43 C ATOM 1102 O ASP A 71 30.933 20.029 17.374 1.00 25.34 O ATOM 1103 CB ASP A 71 33.603 18.573 16.700 1.00 3.12 C ATOM 1104 CG ASP A 71 34.777 19.517 16.541 1.00 32.33 C ATOM 1105 OD1 ASP A 71 35.472 19.429 15.505 1.00 55.22 O ATOM 1106 OD2 ASP A 71 35.023 20.332 17.450 1.00 43.24 O ATOM 0 H ASP A 71 33.821 19.392 14.335 1.00 4.40 H new ATOM 0 HA ASP A 71 31.705 18.110 15.811 1.00 51.42 H new ATOM 0 HB2 ASP A 71 33.289 18.566 17.744 1.00 3.12 H new ATOM 0 HB3 ASP A 71 33.924 17.560 16.457 1.00 3.12 H new ATOM 1111 N GLU A 72 31.844 21.318 15.775 1.00 53.51 N ATOM 1112 CA GLU A 72 31.158 22.527 16.231 1.00 25.43 C ATOM 1113 C GLU A 72 29.759 22.636 15.629 1.00 33.41 C ATOM 1114 O GLU A 72 28.798 22.978 16.319 1.00 73.40 O ATOM 1115 CB GLU A 72 31.947 23.783 15.860 1.00 22.45 C ATOM 1116 CG GLU A 72 33.318 23.880 16.500 1.00 12.13 C ATOM 1117 CD GLU A 72 33.929 25.250 16.305 1.00 21.13 C ATOM 1118 OE1 GLU A 72 34.045 25.693 15.142 1.00 34.31 O ATOM 1119 OE2 GLU A 72 34.254 25.913 17.312 1.00 21.12 O ATOM 0 H GLU A 72 32.449 21.451 14.965 1.00 53.51 H new ATOM 0 HA GLU A 72 31.079 22.451 17.316 1.00 25.43 H new ATOM 0 HB2 GLU A 72 32.063 23.816 14.777 1.00 22.45 H new ATOM 0 HB3 GLU A 72 31.365 24.659 16.145 1.00 22.45 H new ATOM 0 HG2 GLU A 72 33.239 23.665 17.566 1.00 12.13 H new ATOM 0 HG3 GLU A 72 33.975 23.124 16.070 1.00 12.13 H new ATOM 1126 N LEU A 73 29.652 22.344 14.343 1.00 73.25 N ATOM 1127 CA LEU A 73 28.403 22.531 13.617 1.00 13.42 C ATOM 1128 C LEU A 73 27.709 21.193 13.367 1.00 3.21 C ATOM 1129 O LEU A 73 28.328 20.141 13.497 1.00 21.12 O ATOM 1130 CB LEU A 73 28.674 23.279 12.298 1.00 45.25 C ATOM 1131 CG LEU A 73 29.808 22.723 11.425 1.00 34.40 C ATOM 1132 CD1 LEU A 73 29.356 21.495 10.644 1.00 1.43 C ATOM 1133 CD2 LEU A 73 30.320 23.797 10.479 1.00 14.24 C ATOM 0 H LEU A 73 30.417 21.975 13.777 1.00 73.25 H new ATOM 0 HA LEU A 73 27.729 23.135 14.224 1.00 13.42 H new ATOM 0 HB2 LEU A 73 27.757 23.279 11.709 1.00 45.25 H new ATOM 0 HB3 LEU A 73 28.901 24.319 12.534 1.00 45.25 H new ATOM 0 HG LEU A 73 30.621 22.417 12.084 1.00 34.40 H new ATOM 0 HD11 LEU A 73 30.182 21.126 10.036 1.00 1.43 H new ATOM 0 HD12 LEU A 73 29.041 20.717 11.340 1.00 1.43 H new ATOM 0 HD13 LEU A 73 28.521 21.762 9.997 1.00 1.43 H new ATOM 0 HD21 LEU A 73 31.124 23.389 9.866 1.00 14.24 H new ATOM 0 HD22 LEU A 73 29.507 24.132 9.835 1.00 14.24 H new ATOM 0 HD23 LEU A 73 30.697 24.641 11.057 1.00 14.24 H new ATOM 1145 N PRO A 74 26.415 21.209 13.008 1.00 15.30 N ATOM 1146 CA PRO A 74 25.637 22.436 12.850 1.00 74.21 C ATOM 1147 C PRO A 74 25.097 22.970 14.177 1.00 3.21 C ATOM 1148 O PRO A 74 25.136 22.284 15.199 1.00 20.44 O ATOM 1149 CB PRO A 74 24.495 22.006 11.935 1.00 52.45 C ATOM 1150 CG PRO A 74 24.315 20.543 12.176 1.00 33.51 C ATOM 1151 CD PRO A 74 25.616 20.009 12.720 1.00 1.34 C ATOM 0 HA PRO A 74 26.239 23.253 12.452 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.582 22.556 12.163 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.734 22.204 10.890 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.504 20.368 12.882 1.00 33.51 H new ATOM 0 HG3 PRO A 74 24.048 20.032 11.251 1.00 33.51 H new ATOM 0 HD2 PRO A 74 25.456 19.414 13.619 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.114 19.365 11.996 1.00 1.34 H new ATOM 1159 N SER A 75 24.594 24.196 14.149 1.00 34.34 N ATOM 1160 CA SER A 75 24.093 24.848 15.344 1.00 31.40 C ATOM 1161 C SER A 75 22.663 24.407 15.655 1.00 52.02 C ATOM 1162 O SER A 75 21.761 24.571 14.833 1.00 0.30 O ATOM 1163 CB SER A 75 24.170 26.362 15.153 1.00 31.21 C ATOM 1164 OG SER A 75 23.915 26.713 13.802 1.00 22.13 O ATOM 0 H SER A 75 24.523 24.761 13.303 1.00 34.34 H new ATOM 0 HA SER A 75 24.710 24.559 16.195 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.446 26.852 15.804 1.00 31.21 H new ATOM 0 HB3 SER A 75 25.157 26.720 15.447 1.00 31.21 H new ATOM 0 HG SER A 75 23.543 27.619 13.764 1.00 22.13 H new ATOM 1170 N PRO A 76 22.443 23.836 16.853 1.00 45.34 N ATOM 1171 CA PRO A 76 21.127 23.329 17.274 1.00 5.21 C ATOM 1172 C PRO A 76 20.038 24.395 17.200 1.00 44.52 C ATOM 1173 O PRO A 76 18.875 24.093 16.922 1.00 51.42 O ATOM 1174 CB PRO A 76 21.357 22.894 18.724 1.00 72.21 C ATOM 1175 CG PRO A 76 22.820 22.636 18.814 1.00 41.55 C ATOM 1176 CD PRO A 76 23.467 23.630 17.893 1.00 65.15 C ATOM 0 HA PRO A 76 20.777 22.526 16.626 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.048 23.670 19.424 1.00 72.21 H new ATOM 0 HB3 PRO A 76 20.782 22.000 18.965 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.177 22.760 19.836 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.056 21.615 18.516 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.710 24.559 18.409 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.397 23.245 17.473 1.00 65.15 H new ATOM 1184 N GLU A 77 20.428 25.642 17.437 1.00 41.22 N ATOM 1185 CA GLU A 77 19.504 26.767 17.356 1.00 22.44 C ATOM 1186 C GLU A 77 18.947 26.892 15.944 1.00 43.15 C ATOM 1187 O GLU A 77 17.737 26.995 15.744 1.00 12.42 O ATOM 1188 CB GLU A 77 20.216 28.057 17.753 1.00 61.33 C ATOM 1189 CG GLU A 77 20.749 28.035 19.172 1.00 22.41 C ATOM 1190 CD GLU A 77 21.579 29.254 19.497 1.00 43.51 C ATOM 1191 OE1 GLU A 77 21.000 30.344 19.684 1.00 3.44 O ATOM 1192 OE2 GLU A 77 22.818 29.127 19.571 1.00 23.01 O ATOM 0 H GLU A 77 21.382 25.900 17.688 1.00 41.22 H new ATOM 0 HA GLU A 77 18.677 26.592 18.044 1.00 22.44 H new ATOM 0 HB2 GLU A 77 21.042 28.235 17.065 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.525 28.893 17.645 1.00 61.33 H new ATOM 0 HG2 GLU A 77 19.914 27.972 19.869 1.00 22.41 H new ATOM 0 HG3 GLU A 77 21.353 27.139 19.316 1.00 22.41 H new ATOM 1199 N ASP A 78 19.846 26.865 14.969 1.00 64.10 N ATOM 1200 CA ASP A 78 19.466 26.934 13.565 1.00 20.24 C ATOM 1201 C ASP A 78 18.690 25.691 13.155 1.00 23.41 C ATOM 1202 O ASP A 78 17.774 25.766 12.338 1.00 70.25 O ATOM 1203 CB ASP A 78 20.705 27.095 12.682 1.00 74.32 C ATOM 1204 CG ASP A 78 21.330 28.469 12.806 1.00 33.44 C ATOM 1205 OD1 ASP A 78 22.152 28.671 13.729 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.002 29.350 11.985 1.00 35.31 O ATOM 0 H ASP A 78 20.851 26.795 15.127 1.00 64.10 H new ATOM 0 HA ASP A 78 18.823 27.804 13.430 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.441 26.338 12.953 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.432 26.916 11.642 1.00 74.32 H new ATOM 1211 N VAL A 79 19.054 24.552 13.736 1.00 70.42 N ATOM 1212 CA VAL A 79 18.354 23.299 13.467 1.00 65.40 C ATOM 1213 C VAL A 79 16.886 23.397 13.878 1.00 5.45 C ATOM 1214 O VAL A 79 15.993 23.037 13.114 1.00 24.20 O ATOM 1215 CB VAL A 79 19.015 22.106 14.194 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.226 20.825 13.963 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.453 21.931 13.731 1.00 2.33 C ATOM 0 H VAL A 79 19.828 24.470 14.395 1.00 70.42 H new ATOM 0 HA VAL A 79 18.417 23.124 12.393 1.00 65.40 H new ATOM 0 HB VAL A 79 19.016 22.319 15.263 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.711 20.000 14.485 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.212 20.949 14.343 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.189 20.608 12.895 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.903 21.087 14.253 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.469 21.744 12.657 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.019 22.837 13.950 1.00 2.33 H new ATOM 1227 N GLU A 80 16.634 23.903 15.077 1.00 62.32 N ATOM 1228 CA GLU A 80 15.266 24.047 15.552 1.00 15.51 C ATOM 1229 C GLU A 80 14.551 25.148 14.768 1.00 42.51 C ATOM 1230 O GLU A 80 13.347 25.062 14.507 1.00 73.11 O ATOM 1231 CB GLU A 80 15.240 24.353 17.049 1.00 72.14 C ATOM 1232 CG GLU A 80 13.871 24.155 17.678 1.00 41.52 C ATOM 1233 CD GLU A 80 13.855 24.471 19.156 1.00 51.12 C ATOM 1234 OE1 GLU A 80 14.464 23.714 19.938 1.00 23.22 O ATOM 1235 OE2 GLU A 80 13.223 25.475 19.546 1.00 11.14 O ATOM 0 H GLU A 80 17.350 24.217 15.732 1.00 62.32 H new ATOM 0 HA GLU A 80 14.743 23.104 15.391 1.00 15.51 H new ATOM 0 HB2 GLU A 80 15.962 23.713 17.556 1.00 72.14 H new ATOM 0 HB3 GLU A 80 15.560 25.383 17.208 1.00 72.14 H new ATOM 0 HG2 GLU A 80 13.146 24.789 17.168 1.00 41.52 H new ATOM 0 HG3 GLU A 80 13.553 23.123 17.528 1.00 41.52 H new ATOM 1242 N ARG A 81 15.308 26.170 14.381 1.00 50.40 N ATOM 1243 CA ARG A 81 14.775 27.261 13.570 1.00 73.35 C ATOM 1244 C ARG A 81 14.314 26.747 12.208 1.00 24.52 C ATOM 1245 O ARG A 81 13.183 27.001 11.791 1.00 72.03 O ATOM 1246 CB ARG A 81 15.828 28.363 13.393 1.00 51.11 C ATOM 1247 CG ARG A 81 15.426 29.451 12.405 1.00 33.12 C ATOM 1248 CD ARG A 81 16.474 30.549 12.324 1.00 12.04 C ATOM 1249 NE ARG A 81 16.242 31.448 11.194 1.00 54.21 N ATOM 1250 CZ ARG A 81 16.509 32.755 11.204 1.00 1.12 C ATOM 1251 NH1 ARG A 81 16.949 33.346 12.310 1.00 25.34 N ATOM 1252 NH2 ARG A 81 16.315 33.480 10.110 1.00 65.00 N ATOM 0 H ARG A 81 16.296 26.266 14.617 1.00 50.40 H new ATOM 0 HA ARG A 81 13.914 27.681 14.089 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.026 28.821 14.362 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.761 27.909 13.059 1.00 51.11 H new ATOM 0 HG2 ARG A 81 15.282 29.012 11.418 1.00 33.12 H new ATOM 0 HG3 ARG A 81 14.470 29.881 12.705 1.00 33.12 H new ATOM 0 HD2 ARG A 81 16.469 31.123 13.250 1.00 12.04 H new ATOM 0 HD3 ARG A 81 17.463 30.100 12.232 1.00 12.04 H new ATOM 0 HE ARG A 81 15.850 31.049 10.341 1.00 54.21 H new ATOM 0 HH11 ARG A 81 17.085 32.800 13.161 1.00 25.34 H new ATOM 0 HH12 ARG A 81 17.151 34.346 12.308 1.00 25.34 H new ATOM 0 HH21 ARG A 81 15.962 33.038 9.261 1.00 65.00 H new ATOM 0 HH22 ARG A 81 16.519 34.479 10.118 1.00 65.00 H new ATOM 1266 N VAL A 82 15.184 26.012 11.521 1.00 32.54 N ATOM 1267 CA VAL A 82 14.842 25.458 10.218 1.00 71.44 C ATOM 1268 C VAL A 82 13.728 24.422 10.361 1.00 64.30 C ATOM 1269 O VAL A 82 12.895 24.263 9.471 1.00 33.50 O ATOM 1270 CB VAL A 82 16.073 24.840 9.504 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.508 23.532 10.149 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.788 24.637 8.027 1.00 23.43 C ATOM 0 H VAL A 82 16.125 25.788 11.844 1.00 32.54 H new ATOM 0 HA VAL A 82 14.489 26.280 9.595 1.00 71.44 H new ATOM 0 HB VAL A 82 16.897 25.545 9.610 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.373 23.134 9.618 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.773 23.711 11.191 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.690 22.813 10.101 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.663 24.203 7.544 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.938 23.965 7.909 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.558 25.597 7.566 1.00 23.43 H new ATOM 1282 N ARG A 83 13.711 23.741 11.504 1.00 12.43 N ATOM 1283 CA ARG A 83 12.645 22.804 11.829 1.00 22.25 C ATOM 1284 C ARG A 83 11.294 23.516 11.827 1.00 63.13 C ATOM 1285 O ARG A 83 10.350 23.067 11.183 1.00 31.24 O ATOM 1286 CB ARG A 83 12.928 22.148 13.192 1.00 63.22 C ATOM 1287 CG ARG A 83 11.782 21.321 13.762 1.00 61.31 C ATOM 1288 CD ARG A 83 10.948 22.125 14.751 1.00 74.43 C ATOM 1289 NE ARG A 83 9.938 21.303 15.414 1.00 41.44 N ATOM 1290 CZ ARG A 83 9.622 21.406 16.705 1.00 73.12 C ATOM 1291 NH1 ARG A 83 10.220 22.312 17.472 1.00 20.14 N ATOM 1292 NH2 ARG A 83 8.702 20.604 17.220 1.00 15.30 N ATOM 0 H ARG A 83 14.430 23.823 12.223 1.00 12.43 H new ATOM 0 HA ARG A 83 12.609 22.021 11.072 1.00 22.25 H new ATOM 0 HB2 ARG A 83 13.804 21.507 13.094 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.183 22.929 13.908 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.146 20.971 12.949 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.182 20.436 14.257 1.00 61.31 H new ATOM 0 HD2 ARG A 83 11.603 22.568 15.501 1.00 74.43 H new ATOM 0 HD3 ARG A 83 10.460 22.947 14.228 1.00 74.43 H new ATOM 0 HE ARG A 83 9.444 20.608 14.854 1.00 41.44 H new ATOM 0 HH11 ARG A 83 10.924 22.933 17.073 1.00 20.14 H new ATOM 0 HH12 ARG A 83 9.974 22.387 18.459 1.00 20.14 H new ATOM 0 HH21 ARG A 83 8.240 19.913 16.629 1.00 15.30 H new ATOM 0 HH22 ARG A 83 8.456 20.678 18.207 1.00 15.30 H new ATOM 1306 N ALA A 84 11.217 24.639 12.532 1.00 12.14 N ATOM 1307 CA ALA A 84 9.981 25.412 12.599 1.00 60.24 C ATOM 1308 C ALA A 84 9.637 26.010 11.238 1.00 70.42 C ATOM 1309 O ALA A 84 8.472 26.035 10.834 1.00 23.24 O ATOM 1310 CB ALA A 84 10.100 26.509 13.647 1.00 63.52 C ATOM 0 H ALA A 84 11.993 25.034 13.064 1.00 12.14 H new ATOM 0 HA ALA A 84 9.173 24.739 12.887 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.171 27.077 13.686 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.293 26.061 14.622 1.00 63.52 H new ATOM 0 HB3 ALA A 84 10.922 27.175 13.385 1.00 63.52 H new ATOM 1316 N ARG A 85 10.661 26.472 10.530 1.00 4.11 N ATOM 1317 CA ARG A 85 10.485 27.092 9.220 1.00 74.14 C ATOM 1318 C ARG A 85 9.921 26.090 8.214 1.00 31.20 C ATOM 1319 O ARG A 85 9.031 26.420 7.435 1.00 12.24 O ATOM 1320 CB ARG A 85 11.820 27.650 8.718 1.00 14.31 C ATOM 1321 CG ARG A 85 11.743 29.087 8.217 1.00 15.44 C ATOM 1322 CD ARG A 85 10.977 29.204 6.907 1.00 12.24 C ATOM 1323 NE ARG A 85 10.814 30.601 6.506 1.00 30.11 N ATOM 1324 CZ ARG A 85 11.328 31.133 5.395 1.00 74.23 C ATOM 1325 NH1 ARG A 85 11.965 30.376 4.512 1.00 74.02 N ATOM 1326 NH2 ARG A 85 11.179 32.425 5.146 1.00 62.23 N ATOM 0 H ARG A 85 11.631 26.429 10.844 1.00 4.11 H new ATOM 0 HA ARG A 85 9.773 27.911 9.322 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.551 27.596 9.525 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.188 27.015 7.912 1.00 14.31 H new ATOM 0 HG2 ARG A 85 11.262 29.707 8.973 1.00 15.44 H new ATOM 0 HG3 ARG A 85 12.752 29.476 8.081 1.00 15.44 H new ATOM 0 HD2 ARG A 85 11.506 28.659 6.125 1.00 12.24 H new ATOM 0 HD3 ARG A 85 9.997 28.738 7.014 1.00 12.24 H new ATOM 0 HE ARG A 85 10.270 31.210 7.117 1.00 30.11 H new ATOM 0 HH11 ARG A 85 12.067 29.375 4.678 1.00 74.02 H new ATOM 0 HH12 ARG A 85 12.353 30.795 3.667 1.00 74.02 H new ATOM 0 HH21 ARG A 85 10.671 33.016 5.804 1.00 62.23 H new ATOM 0 HH22 ARG A 85 11.573 32.829 4.296 1.00 62.23 H new ATOM 1340 N LEU A 86 10.442 24.868 8.242 1.00 63.41 N ATOM 1341 CA LEU A 86 9.976 23.814 7.345 1.00 3.23 C ATOM 1342 C LEU A 86 8.612 23.291 7.775 1.00 51.33 C ATOM 1343 O LEU A 86 7.749 23.035 6.935 1.00 11.12 O ATOM 1344 CB LEU A 86 10.987 22.662 7.290 1.00 64.25 C ATOM 1345 CG LEU A 86 12.006 22.729 6.146 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.316 22.532 4.806 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.756 24.053 6.162 1.00 3.31 C ATOM 0 H LEU A 86 11.188 24.582 8.876 1.00 63.41 H new ATOM 0 HA LEU A 86 9.880 24.246 6.349 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.530 22.633 8.235 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.438 21.724 7.209 1.00 64.25 H new ATOM 0 HG LEU A 86 12.728 21.925 6.290 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.054 22.583 4.006 1.00 63.43 H new ATOM 0 HD12 LEU A 86 10.828 21.558 4.788 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.571 23.314 4.662 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.473 24.075 5.341 1.00 3.31 H new ATOM 0 HD22 LEU A 86 12.048 24.874 6.048 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.286 24.160 7.109 1.00 3.31 H new ATOM 1359 N ALA A 87 8.418 23.159 9.087 1.00 64.31 N ATOM 1360 CA ALA A 87 7.179 22.620 9.643 1.00 55.30 C ATOM 1361 C ALA A 87 5.969 23.465 9.259 1.00 40.51 C ATOM 1362 O ALA A 87 4.842 22.971 9.237 1.00 60.31 O ATOM 1363 CB ALA A 87 7.277 22.513 11.157 1.00 2.20 C ATOM 0 H ALA A 87 9.110 23.421 9.789 1.00 64.31 H new ATOM 0 HA ALA A 87 7.040 21.625 9.219 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.346 22.110 11.554 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.101 21.851 11.422 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.454 23.501 11.581 1.00 2.20 H new ATOM 1369 N ALA A 88 6.208 24.736 8.961 1.00 12.20 N ATOM 1370 CA ALA A 88 5.142 25.646 8.558 1.00 35.54 C ATOM 1371 C ALA A 88 4.444 25.162 7.289 1.00 70.35 C ATOM 1372 O ALA A 88 3.251 25.396 7.096 1.00 34.21 O ATOM 1373 CB ALA A 88 5.697 27.048 8.359 1.00 1.20 C ATOM 0 H ALA A 88 7.134 25.162 8.991 1.00 12.20 H new ATOM 0 HA ALA A 88 4.399 25.668 9.355 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.892 27.719 8.058 1.00 1.20 H new ATOM 0 HB2 ALA A 88 6.135 27.402 9.292 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.463 27.030 7.583 1.00 1.20 H new ATOM 1379 N GLN A 89 5.187 24.469 6.433 1.00 43.22 N ATOM 1380 CA GLN A 89 4.634 23.948 5.187 1.00 34.15 C ATOM 1381 C GLN A 89 4.311 22.464 5.322 1.00 43.51 C ATOM 1382 O GLN A 89 3.953 21.797 4.351 1.00 25.11 O ATOM 1383 CB GLN A 89 5.605 24.165 4.017 1.00 71.20 C ATOM 1384 CG GLN A 89 5.773 25.624 3.605 1.00 64.44 C ATOM 1385 CD GLN A 89 6.551 26.464 4.605 1.00 71.20 C ATOM 1386 OE1 GLN A 89 6.278 27.651 4.771 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.544 25.870 5.251 1.00 62.23 N ATOM 0 H GLN A 89 6.174 24.255 6.579 1.00 43.22 H new ATOM 0 HA GLN A 89 3.714 24.495 4.979 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.580 23.762 4.290 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.253 23.595 3.157 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.281 25.662 2.641 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.787 26.067 3.464 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.741 24.883 5.087 1.00 62.23 H new ATOM 0 HE22 GLN A 89 8.112 26.400 5.912 1.00 62.23 H new ATOM 1396 N GLY A 90 4.429 21.955 6.537 1.00 41.15 N ATOM 1397 CA GLY A 90 4.169 20.554 6.786 1.00 31.11 C ATOM 1398 C GLY A 90 5.364 19.860 7.395 1.00 31.14 C ATOM 1399 O GLY A 90 6.467 20.410 7.403 1.00 41.14 O ATOM 0 H GLY A 90 4.702 22.491 7.361 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.313 20.457 7.454 1.00 31.11 H new ATOM 0 HA3 GLY A 90 3.901 20.062 5.851 1.00 31.11 H new ATOM 1403 N TRP A 91 5.158 18.655 7.900 1.00 1.05 N ATOM 1404 CA TRP A 91 6.235 17.905 8.519 1.00 21.13 C ATOM 1405 C TRP A 91 6.001 16.410 8.345 1.00 24.15 C ATOM 1406 O TRP A 91 5.300 15.783 9.137 1.00 54.32 O ATOM 1407 CB TRP A 91 6.346 18.262 10.002 1.00 54.31 C ATOM 1408 CG TRP A 91 7.645 17.855 10.617 1.00 20.42 C ATOM 1409 CD1 TRP A 91 7.886 16.751 11.382 1.00 65.12 C ATOM 1410 CD2 TRP A 91 8.886 18.558 10.521 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.206 16.726 11.767 1.00 72.51 N ATOM 1412 CE2 TRP A 91 9.841 17.826 11.249 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.281 19.737 9.884 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.167 18.238 11.356 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.595 20.143 9.994 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.521 19.397 10.724 1.00 15.43 C ATOM 0 H TRP A 91 4.257 18.177 7.893 1.00 1.05 H new ATOM 0 HA TRP A 91 7.173 18.168 8.030 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.219 19.338 10.119 1.00 54.31 H new ATOM 0 HB3 TRP A 91 5.530 17.784 10.545 1.00 54.31 H new ATOM 0 HD1 TRP A 91 7.149 16.007 11.646 1.00 65.12 H new ATOM 0 HE1 TRP A 91 9.642 16.007 12.344 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.571 20.320 9.316 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 11.889 17.663 11.917 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.912 21.053 9.507 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.542 19.744 10.791 1.00 15.43 H new ATOM 1427 N PRO A 92 6.565 15.823 7.283 1.00 64.14 N ATOM 1428 CA PRO A 92 6.408 14.401 6.991 1.00 60.55 C ATOM 1429 C PRO A 92 7.384 13.530 7.777 1.00 0.42 C ATOM 1430 O PRO A 92 7.463 12.320 7.566 1.00 12.41 O ATOM 1431 CB PRO A 92 6.706 14.327 5.497 1.00 45.11 C ATOM 1432 CG PRO A 92 7.681 15.428 5.249 1.00 23.52 C ATOM 1433 CD PRO A 92 7.387 16.505 6.265 1.00 20.11 C ATOM 0 HA PRO A 92 5.421 14.030 7.268 1.00 60.55 H new ATOM 0 HB2 PRO A 92 7.125 13.358 5.225 1.00 45.11 H new ATOM 0 HB3 PRO A 92 5.800 14.460 4.906 1.00 45.11 H new ATOM 0 HG2 PRO A 92 8.705 15.069 5.351 1.00 23.52 H new ATOM 0 HG3 PRO A 92 7.579 15.814 4.235 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.304 16.907 6.696 1.00 20.11 H new ATOM 0 HD3 PRO A 92 6.852 17.342 5.816 1.00 20.11 H new ATOM 1441 N LEU A 93 8.128 14.146 8.684 1.00 21.21 N ATOM 1442 CA LEU A 93 9.097 13.418 9.483 1.00 44.02 C ATOM 1443 C LEU A 93 8.464 12.942 10.780 1.00 73.14 C ATOM 1444 O LEU A 93 8.583 13.587 11.823 1.00 62.40 O ATOM 1445 CB LEU A 93 10.329 14.277 9.773 1.00 23.12 C ATOM 1446 CG LEU A 93 11.091 14.762 8.539 1.00 64.11 C ATOM 1447 CD1 LEU A 93 12.320 15.556 8.954 1.00 64.22 C ATOM 1448 CD2 LEU A 93 11.485 13.584 7.659 1.00 63.12 C ATOM 0 H LEU A 93 8.078 15.145 8.883 1.00 21.21 H new ATOM 0 HA LEU A 93 9.420 12.548 8.911 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.018 15.146 10.353 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.012 13.704 10.400 1.00 23.12 H new ATOM 0 HG LEU A 93 10.437 15.416 7.962 1.00 64.11 H new ATOM 0 HD11 LEU A 93 12.852 15.894 8.065 1.00 64.22 H new ATOM 0 HD12 LEU A 93 12.013 16.420 9.544 1.00 64.22 H new ATOM 0 HD13 LEU A 93 12.977 14.924 9.551 1.00 64.22 H new ATOM 0 HD21 LEU A 93 12.026 13.947 6.786 1.00 63.12 H new ATOM 0 HD22 LEU A 93 12.123 12.905 8.225 1.00 63.12 H new ATOM 0 HD23 LEU A 93 10.588 13.055 7.336 1.00 63.12 H new ATOM 1460 N ASP A 94 7.741 11.840 10.691 1.00 75.24 N ATOM 1461 CA ASP A 94 7.144 11.210 11.860 1.00 4.40 C ATOM 1462 C ASP A 94 7.758 9.840 12.067 1.00 41.41 C ATOM 1463 O ASP A 94 7.283 9.039 12.873 1.00 14.45 O ATOM 1464 CB ASP A 94 5.627 11.082 11.701 1.00 63.34 C ATOM 1465 CG ASP A 94 5.230 10.321 10.453 1.00 62.41 C ATOM 1466 OD1 ASP A 94 5.143 9.077 10.502 1.00 43.30 O ATOM 1467 OD2 ASP A 94 4.992 10.968 9.410 1.00 74.41 O ATOM 0 H ASP A 94 7.551 11.357 9.813 1.00 75.24 H new ATOM 0 HA ASP A 94 7.343 11.837 12.730 1.00 4.40 H new ATOM 0 HB2 ASP A 94 5.216 10.577 12.575 1.00 63.34 H new ATOM 0 HB3 ASP A 94 5.184 12.078 11.670 1.00 63.34 H new ATOM 1472 N ASP A 95 8.821 9.576 11.322 1.00 73.02 N ATOM 1473 CA ASP A 95 9.530 8.312 11.424 1.00 2.34 C ATOM 1474 C ASP A 95 10.344 8.296 12.707 1.00 51.34 C ATOM 1475 O ASP A 95 10.514 9.332 13.357 1.00 12.12 O ATOM 1476 CB ASP A 95 10.446 8.112 10.214 1.00 41.44 C ATOM 1477 CG ASP A 95 10.666 6.647 9.876 1.00 74.21 C ATOM 1478 OD1 ASP A 95 11.190 5.900 10.721 1.00 34.21 O ATOM 1479 OD2 ASP A 95 10.321 6.238 8.744 1.00 54.30 O ATOM 0 H ASP A 95 9.212 10.224 10.638 1.00 73.02 H new ATOM 0 HA ASP A 95 8.807 7.496 11.442 1.00 2.34 H new ATOM 0 HB2 ASP A 95 10.015 8.618 9.350 1.00 41.44 H new ATOM 0 HB3 ASP A 95 11.409 8.583 10.412 1.00 41.44 H new ATOM 1484 N VAL A 96 10.857 7.140 13.069 1.00 71.32 N ATOM 1485 CA VAL A 96 11.584 7.005 14.308 1.00 22.53 C ATOM 1486 C VAL A 96 12.845 6.167 14.101 1.00 14.41 C ATOM 1487 O VAL A 96 12.814 5.105 13.478 1.00 35.44 O ATOM 1488 CB VAL A 96 10.682 6.402 15.413 1.00 52.40 C ATOM 1489 CG1 VAL A 96 10.374 4.934 15.156 1.00 14.32 C ATOM 1490 CG2 VAL A 96 11.294 6.604 16.789 1.00 21.21 C ATOM 0 H VAL A 96 10.783 6.282 12.522 1.00 71.32 H new ATOM 0 HA VAL A 96 11.891 7.997 14.638 1.00 22.53 H new ATOM 0 HB VAL A 96 9.733 6.938 15.385 1.00 52.40 H new ATOM 0 HG11 VAL A 96 9.739 4.550 15.954 1.00 14.32 H new ATOM 0 HG12 VAL A 96 9.858 4.832 14.201 1.00 14.32 H new ATOM 0 HG13 VAL A 96 11.304 4.367 15.128 1.00 14.32 H new ATOM 0 HG21 VAL A 96 10.640 6.171 17.545 1.00 21.21 H new ATOM 0 HG22 VAL A 96 12.268 6.116 16.829 1.00 21.21 H new ATOM 0 HG23 VAL A 96 11.414 7.670 16.981 1.00 21.21 H new ATOM 1500 N ARG A 97 13.960 6.672 14.607 1.00 41.12 N ATOM 1501 CA ARG A 97 15.244 5.980 14.501 1.00 64.31 C ATOM 1502 C ARG A 97 15.404 4.945 15.602 1.00 4.21 C ATOM 1503 O ARG A 97 16.502 4.454 15.871 1.00 42.12 O ATOM 1504 CB ARG A 97 16.400 6.974 14.553 1.00 63.00 C ATOM 1505 CG ARG A 97 16.152 8.223 15.398 1.00 70.22 C ATOM 1506 CD ARG A 97 15.928 7.900 16.869 1.00 74.05 C ATOM 1507 NE ARG A 97 17.064 7.197 17.467 1.00 74.14 N ATOM 1508 CZ ARG A 97 17.100 6.795 18.737 1.00 21.31 C ATOM 1509 NH1 ARG A 97 16.069 7.015 19.537 1.00 42.30 N ATOM 1510 NH2 ARG A 97 18.165 6.162 19.202 1.00 4.22 N ATOM 0 H ARG A 97 14.005 7.564 15.099 1.00 41.12 H new ATOM 0 HA ARG A 97 15.261 5.467 13.540 1.00 64.31 H new ATOM 0 HB2 ARG A 97 17.280 6.462 14.942 1.00 63.00 H new ATOM 0 HB3 ARG A 97 16.636 7.285 13.535 1.00 63.00 H new ATOM 0 HG2 ARG A 97 17.004 8.896 15.303 1.00 70.22 H new ATOM 0 HG3 ARG A 97 15.282 8.753 15.010 1.00 70.22 H new ATOM 0 HD2 ARG A 97 15.747 8.825 17.417 1.00 74.05 H new ATOM 0 HD3 ARG A 97 15.032 7.288 16.971 1.00 74.05 H new ATOM 0 HE ARG A 97 17.874 7.004 16.878 1.00 74.14 H new ATOM 0 HH11 ARG A 97 15.241 7.494 19.182 1.00 42.30 H new ATOM 0 HH12 ARG A 97 16.102 6.705 20.508 1.00 42.30 H new ATOM 0 HH21 ARG A 97 18.959 5.981 18.588 1.00 4.22 H new ATOM 0 HH22 ARG A 97 18.192 5.855 20.174 1.00 4.22 H new ATOM 1524 N ASP A 98 14.294 4.628 16.222 1.00 14.21 N ATOM 1525 CA ASP A 98 14.258 3.696 17.341 1.00 30.32 C ATOM 1526 C ASP A 98 14.406 2.260 16.843 1.00 50.43 C ATOM 1527 O ASP A 98 13.435 1.511 16.754 1.00 33.41 O ATOM 1528 CB ASP A 98 12.952 3.855 18.125 1.00 32.43 C ATOM 1529 CG ASP A 98 13.055 3.356 19.553 1.00 72.12 C ATOM 1530 OD1 ASP A 98 13.124 2.127 19.763 1.00 71.52 O ATOM 1531 OD2 ASP A 98 13.059 4.202 20.476 1.00 23.42 O ATOM 0 H ASP A 98 13.381 5.007 15.969 1.00 14.21 H new ATOM 0 HA ASP A 98 15.092 3.921 18.006 1.00 30.32 H new ATOM 0 HB2 ASP A 98 12.665 4.906 18.133 1.00 32.43 H new ATOM 0 HB3 ASP A 98 12.158 3.312 17.612 1.00 32.43 H new ATOM 1536 N ARG A 99 15.622 1.918 16.456 1.00 40.24 N ATOM 1537 CA ARG A 99 15.961 0.567 16.042 1.00 32.23 C ATOM 1538 C ARG A 99 17.379 0.267 16.508 1.00 22.32 C ATOM 1539 O ARG A 99 18.039 -0.660 16.033 1.00 1.10 O ATOM 1540 CB ARG A 99 15.871 0.440 14.519 1.00 64.42 C ATOM 1541 CG ARG A 99 15.688 -0.989 14.026 1.00 3.52 C ATOM 1542 CD ARG A 99 15.974 -1.102 12.539 1.00 23.24 C ATOM 1543 NE ARG A 99 17.406 -0.990 12.254 1.00 64.52 N ATOM 1544 CZ ARG A 99 17.923 -0.320 11.226 1.00 3.44 C ATOM 1545 NH1 ARG A 99 17.136 0.372 10.410 1.00 14.30 N ATOM 1546 NH2 ARG A 99 19.238 -0.323 11.041 1.00 71.43 N ATOM 0 H ARG A 99 16.405 2.571 16.420 1.00 40.24 H new ATOM 0 HA ARG A 99 15.262 -0.143 16.484 1.00 32.23 H new ATOM 0 HB2 ARG A 99 15.038 1.046 14.163 1.00 64.42 H new ATOM 0 HB3 ARG A 99 16.777 0.853 14.076 1.00 64.42 H new ATOM 0 HG2 ARG A 99 16.353 -1.654 14.578 1.00 3.52 H new ATOM 0 HG3 ARG A 99 14.669 -1.318 14.228 1.00 3.52 H new ATOM 0 HD2 ARG A 99 15.603 -2.057 12.168 1.00 23.24 H new ATOM 0 HD3 ARG A 99 15.434 -0.321 12.004 1.00 23.24 H new ATOM 0 HE ARG A 99 18.053 -1.458 12.888 1.00 64.52 H new ATOM 0 HH11 ARG A 99 16.129 0.393 10.569 1.00 14.30 H new ATOM 0 HH12 ARG A 99 17.539 0.883 9.625 1.00 14.30 H new ATOM 0 HH21 ARG A 99 19.842 -0.835 11.683 1.00 71.43 H new ATOM 0 HH22 ARG A 99 19.644 0.187 10.256 1.00 71.43 H new ATOM 1560 N GLU A 100 17.833 1.071 17.456 1.00 14.13 N ATOM 1561 CA GLU A 100 19.202 1.008 17.929 1.00 21.13 C ATOM 1562 C GLU A 100 19.295 0.215 19.219 1.00 70.42 C ATOM 1563 O GLU A 100 19.122 0.765 20.305 1.00 75.53 O ATOM 1564 CB GLU A 100 19.753 2.412 18.171 1.00 10.32 C ATOM 1565 CG GLU A 100 19.879 3.260 16.918 1.00 41.30 C ATOM 1566 CD GLU A 100 20.337 4.670 17.224 1.00 40.11 C ATOM 1567 OE1 GLU A 100 21.435 4.834 17.794 1.00 63.33 O ATOM 1568 OE2 GLU A 100 19.600 5.623 16.906 1.00 2.33 O ATOM 0 H GLU A 100 17.264 1.782 17.916 1.00 14.13 H new ATOM 0 HA GLU A 100 19.792 0.511 17.158 1.00 21.13 H new ATOM 0 HB2 GLU A 100 19.104 2.927 18.880 1.00 10.32 H new ATOM 0 HB3 GLU A 100 20.734 2.329 18.639 1.00 10.32 H new ATOM 0 HG2 GLU A 100 20.586 2.791 16.234 1.00 41.30 H new ATOM 0 HG3 GLU A 100 18.917 3.295 16.407 1.00 41.30 H new ATOM 1575 N GLU A 101 19.546 -1.077 19.100 1.00 40.31 N ATOM 1576 CA GLU A 101 19.811 -1.901 20.267 1.00 43.23 C ATOM 1577 C GLU A 101 21.261 -1.716 20.683 1.00 61.40 C ATOM 1578 O GLU A 101 22.110 -2.582 20.470 1.00 65.34 O ATOM 1579 CB GLU A 101 19.506 -3.365 19.969 1.00 33.35 C ATOM 1580 CG GLU A 101 18.055 -3.600 19.584 1.00 52.03 C ATOM 1581 CD GLU A 101 17.099 -3.461 20.752 1.00 24.22 C ATOM 1582 OE1 GLU A 101 16.898 -2.329 21.239 1.00 41.45 O ATOM 1583 OE2 GLU A 101 16.529 -4.482 21.185 1.00 45.10 O ATOM 0 H GLU A 101 19.572 -1.577 18.211 1.00 40.31 H new ATOM 0 HA GLU A 101 19.163 -1.594 21.088 1.00 43.23 H new ATOM 0 HB2 GLU A 101 20.151 -3.708 19.160 1.00 33.35 H new ATOM 0 HB3 GLU A 101 19.746 -3.967 20.846 1.00 33.35 H new ATOM 0 HG2 GLU A 101 17.773 -2.892 18.805 1.00 52.03 H new ATOM 0 HG3 GLU A 101 17.956 -4.598 19.158 1.00 52.03 H new ATOM 1590 N HIS A 102 21.537 -0.549 21.238 1.00 21.45 N ATOM 1591 CA HIS A 102 22.888 -0.155 21.595 1.00 25.33 C ATOM 1592 C HIS A 102 22.939 0.218 23.068 1.00 50.12 C ATOM 1593 O HIS A 102 22.578 1.331 23.454 1.00 63.21 O ATOM 1594 CB HIS A 102 23.338 1.023 20.718 1.00 45.51 C ATOM 1595 CG HIS A 102 24.775 1.418 20.896 1.00 1.23 C ATOM 1596 ND1 HIS A 102 25.171 2.696 21.227 1.00 23.13 N ATOM 1597 CD2 HIS A 102 25.914 0.701 20.751 1.00 10.20 C ATOM 1598 CE1 HIS A 102 26.488 2.745 21.280 1.00 13.04 C ATOM 1599 NE2 HIS A 102 26.966 1.549 20.993 1.00 5.31 N ATOM 0 H HIS A 102 20.829 0.153 21.454 1.00 21.45 H new ATOM 0 HA HIS A 102 23.568 -0.989 21.424 1.00 25.33 H new ATOM 0 HB2 HIS A 102 23.172 0.765 19.672 1.00 45.51 H new ATOM 0 HB3 HIS A 102 22.708 1.885 20.938 1.00 45.51 H new ATOM 0 HD2 HIS A 102 25.982 -0.345 20.493 1.00 10.20 H new ATOM 0 HE1 HIS A 102 27.077 3.618 21.519 1.00 13.04 H new ATOM 0 HE2 HIS A 102 27.954 1.296 20.957 1.00 5.31 H new ATOM 1608 N ALA A 103 23.360 -0.727 23.886 1.00 73.32 N ATOM 1609 CA ALA A 103 23.417 -0.526 25.321 1.00 31.42 C ATOM 1610 C ALA A 103 24.860 -0.548 25.799 1.00 64.31 C ATOM 1611 O ALA A 103 25.359 0.511 26.225 1.00 52.35 O ATOM 1612 CB ALA A 103 22.590 -1.585 26.037 1.00 51.41 C ATOM 1613 OXT ALA A 103 25.496 -1.620 25.716 1.00 0.00 O ATOM 0 H ALA A 103 23.670 -1.649 23.578 1.00 73.32 H new ATOM 0 HA ALA A 103 22.995 0.451 25.557 1.00 31.42 H new ATOM 0 HB1 ALA A 103 22.642 -1.421 27.113 1.00 51.41 H new ATOM 0 HB2 ALA A 103 21.552 -1.519 25.710 1.00 51.41 H new ATOM 0 HB3 ALA A 103 22.982 -2.574 25.801 1.00 51.41 H new TER 1619 ALA A 103