USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 135:sc= -0.231 (180deg=-0.903) USER MOD Single : A 5 ASN : amide:sc= -0.394 K(o=-0.39,f=-2!) USER MOD Single : A 9 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 10 SER OG : rot 85:sc= 1.26 USER MOD Single : A 19 TYR OH : rot -73:sc= 1.28 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -130:sc= -0.368 USER MOD Single : A 36 CYS SG : rot -32:sc= 0.0491 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 41 HIS : no HD1:sc=-0.00201 X(o=-0.002,f=-0.081) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0459) USER MOD Single : A 49 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 52 MET CE :methyl -179:sc= -3.31 (180deg=-3.33) USER MOD Single : A 59 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.18) USER MOD Single : A 67 THR OG1 : rot -65:sc= 1.19 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 70 THR OG1 : rot -98:sc= 1.24 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.43) USER MOD Single : A 102 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.642 2.389 -0.261 1.00 23.41 N ATOM 2 CA GLY A 1 1.913 1.926 -0.863 1.00 73.53 C ATOM 3 C GLY A 1 2.791 3.088 -1.272 1.00 72.31 C ATOM 4 O GLY A 1 2.383 3.924 -2.078 1.00 14.41 O ATOM 0 H1 GLY A 1 0.065 1.566 0.007 1.00 23.41 H new ATOM 0 H2 GLY A 1 0.846 2.960 0.584 1.00 23.41 H new ATOM 0 H3 GLY A 1 0.121 2.967 -0.951 1.00 23.41 H new ATOM 0 HA2 GLY A 1 2.447 1.299 -0.149 1.00 73.53 H new ATOM 0 HA3 GLY A 1 1.699 1.306 -1.734 1.00 73.53 H new ATOM 10 N SER A 2 3.986 3.153 -0.712 1.00 3.14 N ATOM 11 CA SER A 2 4.907 4.237 -1.014 1.00 5.32 C ATOM 12 C SER A 2 5.868 3.841 -2.134 1.00 72.52 C ATOM 13 O SER A 2 6.114 2.656 -2.368 1.00 22.34 O ATOM 14 CB SER A 2 5.686 4.619 0.248 1.00 20.22 C ATOM 15 OG SER A 2 6.339 3.489 0.808 1.00 30.24 O ATOM 0 H SER A 2 4.342 2.468 -0.045 1.00 3.14 H new ATOM 0 HA SER A 2 4.332 5.098 -1.355 1.00 5.32 H new ATOM 0 HB2 SER A 2 6.422 5.386 0.006 1.00 20.22 H new ATOM 0 HB3 SER A 2 5.006 5.051 0.982 1.00 20.22 H new ATOM 0 HG SER A 2 6.830 3.760 1.611 1.00 30.24 H new ATOM 21 N HIS A 3 6.387 4.840 -2.838 1.00 74.30 N ATOM 22 CA HIS A 3 7.378 4.616 -3.885 1.00 71.34 C ATOM 23 C HIS A 3 8.424 5.723 -3.852 1.00 55.41 C ATOM 24 O HIS A 3 8.092 6.894 -3.650 1.00 61.04 O ATOM 25 CB HIS A 3 6.721 4.536 -5.267 1.00 10.31 C ATOM 26 CG HIS A 3 6.118 3.195 -5.570 1.00 15.43 C ATOM 27 ND1 HIS A 3 4.759 2.960 -5.594 1.00 31.20 N ATOM 28 CD2 HIS A 3 6.705 2.011 -5.876 1.00 75.30 C ATOM 29 CE1 HIS A 3 4.539 1.694 -5.900 1.00 4.51 C ATOM 30 NE2 HIS A 3 5.700 1.098 -6.076 1.00 64.22 N ATOM 0 H HIS A 3 6.136 5.819 -2.702 1.00 74.30 H new ATOM 0 HA HIS A 3 7.865 3.659 -3.697 1.00 71.34 H new ATOM 0 HB2 HIS A 3 5.944 5.298 -5.335 1.00 10.31 H new ATOM 0 HB3 HIS A 3 7.465 4.770 -6.028 1.00 10.31 H new ATOM 0 HD2 HIS A 3 7.766 1.822 -5.949 1.00 75.30 H new ATOM 0 HE1 HIS A 3 3.570 1.226 -5.991 1.00 4.51 H new ATOM 0 HE2 HIS A 3 5.831 0.117 -6.321 1.00 64.22 H new ATOM 39 N MET A 4 9.679 5.338 -4.059 1.00 24.22 N ATOM 40 CA MET A 4 10.821 6.239 -3.915 1.00 74.34 C ATOM 41 C MET A 4 10.667 7.502 -4.757 1.00 53.14 C ATOM 42 O MET A 4 10.907 8.606 -4.271 1.00 34.52 O ATOM 43 CB MET A 4 12.121 5.529 -4.309 1.00 33.23 C ATOM 44 CG MET A 4 12.356 4.205 -3.595 1.00 44.04 C ATOM 45 SD MET A 4 11.312 2.872 -4.225 1.00 70.34 S ATOM 46 CE MET A 4 11.902 2.740 -5.913 1.00 13.33 C ATOM 0 H MET A 4 9.935 4.389 -4.332 1.00 24.22 H new ATOM 0 HA MET A 4 10.860 6.530 -2.865 1.00 74.34 H new ATOM 0 HB2 MET A 4 12.112 5.351 -5.384 1.00 33.23 H new ATOM 0 HB3 MET A 4 12.960 6.193 -4.103 1.00 33.23 H new ATOM 0 HG2 MET A 4 13.403 3.921 -3.702 1.00 44.04 H new ATOM 0 HG3 MET A 4 12.168 4.334 -2.529 1.00 44.04 H new ATOM 0 HE1 MET A 4 12.042 1.690 -6.168 1.00 13.33 H new ATOM 0 HE2 MET A 4 11.171 3.183 -6.590 1.00 13.33 H new ATOM 0 HE3 MET A 4 12.852 3.267 -6.009 1.00 13.33 H new ATOM 56 N ASN A 5 10.254 7.332 -6.009 1.00 22.52 N ATOM 57 CA ASN A 5 10.165 8.445 -6.956 1.00 73.11 C ATOM 58 C ASN A 5 9.290 9.573 -6.405 1.00 10.31 C ATOM 59 O ASN A 5 9.702 10.735 -6.382 1.00 10.11 O ATOM 60 CB ASN A 5 9.599 7.946 -8.291 1.00 53.32 C ATOM 61 CG ASN A 5 9.688 8.969 -9.415 1.00 53.24 C ATOM 62 OD1 ASN A 5 9.663 10.179 -9.190 1.00 40.34 O ATOM 63 ND2 ASN A 5 9.781 8.483 -10.642 1.00 4.12 N ATOM 0 H ASN A 5 9.974 6.431 -6.395 1.00 22.52 H new ATOM 0 HA ASN A 5 11.168 8.842 -7.111 1.00 73.11 H new ATOM 0 HB2 ASN A 5 10.135 7.045 -8.589 1.00 53.32 H new ATOM 0 HB3 ASN A 5 8.556 7.664 -8.150 1.00 53.32 H new ATOM 0 HD21 ASN A 5 9.835 9.117 -11.439 1.00 4.12 H new ATOM 0 HD22 ASN A 5 9.799 7.474 -10.791 1.00 4.12 H new ATOM 70 N ARG A 6 8.104 9.227 -5.924 1.00 70.34 N ATOM 71 CA ARG A 6 7.184 10.231 -5.406 1.00 45.50 C ATOM 72 C ARG A 6 7.660 10.754 -4.055 1.00 22.34 C ATOM 73 O ARG A 6 7.510 11.938 -3.756 1.00 1.32 O ATOM 74 CB ARG A 6 5.766 9.670 -5.286 1.00 34.52 C ATOM 75 CG ARG A 6 5.128 9.339 -6.625 1.00 35.22 C ATOM 76 CD ARG A 6 3.682 8.900 -6.459 1.00 55.24 C ATOM 77 NE ARG A 6 3.078 8.508 -7.730 1.00 65.22 N ATOM 78 CZ ARG A 6 2.069 7.645 -7.837 1.00 12.53 C ATOM 79 NH1 ARG A 6 1.488 7.157 -6.747 1.00 43.31 N ATOM 80 NH2 ARG A 6 1.624 7.296 -9.038 1.00 11.12 N ATOM 0 H ARG A 6 7.758 8.268 -5.881 1.00 70.34 H new ATOM 0 HA ARG A 6 7.165 11.060 -6.114 1.00 45.50 H new ATOM 0 HB2 ARG A 6 5.791 8.770 -4.672 1.00 34.52 H new ATOM 0 HB3 ARG A 6 5.141 10.394 -4.764 1.00 34.52 H new ATOM 0 HG2 ARG A 6 5.172 10.212 -7.276 1.00 35.22 H new ATOM 0 HG3 ARG A 6 5.696 8.548 -7.114 1.00 35.22 H new ATOM 0 HD2 ARG A 6 3.635 8.063 -5.762 1.00 55.24 H new ATOM 0 HD3 ARG A 6 3.105 9.713 -6.019 1.00 55.24 H new ATOM 0 HE ARG A 6 3.451 8.919 -8.586 1.00 65.22 H new ATOM 0 HH11 ARG A 6 1.814 7.443 -5.824 1.00 43.31 H new ATOM 0 HH12 ARG A 6 0.716 6.496 -6.833 1.00 43.31 H new ATOM 0 HH21 ARG A 6 2.055 7.688 -9.875 1.00 11.12 H new ATOM 0 HH22 ARG A 6 0.852 6.635 -9.124 1.00 11.12 H new ATOM 94 N PHE A 7 8.251 9.873 -3.256 1.00 61.03 N ATOM 95 CA PHE A 7 8.751 10.250 -1.939 1.00 54.10 C ATOM 96 C PHE A 7 9.847 11.306 -2.064 1.00 14.21 C ATOM 97 O PHE A 7 9.799 12.347 -1.405 1.00 1.24 O ATOM 98 CB PHE A 7 9.282 9.017 -1.198 1.00 72.25 C ATOM 99 CG PHE A 7 9.660 9.284 0.231 1.00 31.43 C ATOM 100 CD1 PHE A 7 8.688 9.334 1.218 1.00 52.24 C ATOM 101 CD2 PHE A 7 10.985 9.486 0.590 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.029 9.581 2.535 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.332 9.734 1.905 1.00 61.21 C ATOM 104 CZ PHE A 7 10.352 9.780 2.879 1.00 73.30 C ATOM 0 H PHE A 7 8.396 8.893 -3.497 1.00 61.03 H new ATOM 0 HA PHE A 7 7.927 10.674 -1.366 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.523 8.235 -1.223 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.153 8.633 -1.729 1.00 72.25 H new ATOM 0 HD1 PHE A 7 7.652 9.178 0.955 1.00 52.24 H new ATOM 0 HD2 PHE A 7 11.754 9.449 -0.167 1.00 4.00 H new ATOM 0 HE1 PHE A 7 8.262 9.618 3.294 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.367 9.892 2.171 1.00 61.21 H new ATOM 0 HZ PHE A 7 10.620 9.971 3.907 1.00 73.30 H new ATOM 114 N LEU A 8 10.817 11.042 -2.933 1.00 52.30 N ATOM 115 CA LEU A 8 11.914 11.976 -3.167 1.00 12.42 C ATOM 116 C LEU A 8 11.384 13.308 -3.683 1.00 4.34 C ATOM 117 O LEU A 8 11.808 14.372 -3.230 1.00 54.30 O ATOM 118 CB LEU A 8 12.917 11.390 -4.165 1.00 73.45 C ATOM 119 CG LEU A 8 13.620 10.108 -3.710 1.00 4.01 C ATOM 120 CD1 LEU A 8 14.541 9.589 -4.803 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.402 10.354 -2.427 1.00 0.01 C ATOM 0 H LEU A 8 10.866 10.188 -3.488 1.00 52.30 H new ATOM 0 HA LEU A 8 12.422 12.146 -2.218 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.397 11.187 -5.101 1.00 73.45 H new ATOM 0 HB3 LEU A 8 13.675 12.144 -4.379 1.00 73.45 H new ATOM 0 HG LEU A 8 12.861 9.352 -3.511 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.032 8.678 -4.462 1.00 63.33 H new ATOM 0 HD12 LEU A 8 13.958 9.374 -5.698 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.294 10.343 -5.033 1.00 63.33 H new ATOM 0 HD21 LEU A 8 14.895 9.432 -2.119 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.152 11.126 -2.600 1.00 0.01 H new ATOM 0 HD23 LEU A 8 13.720 10.681 -1.642 1.00 0.01 H new ATOM 133 N THR A 9 10.442 13.240 -4.616 1.00 50.43 N ATOM 134 CA THR A 9 9.823 14.436 -5.168 1.00 11.00 C ATOM 135 C THR A 9 9.096 15.222 -4.072 1.00 63.12 C ATOM 136 O THR A 9 9.115 16.455 -4.059 1.00 22.31 O ATOM 137 CB THR A 9 8.838 14.072 -6.299 1.00 3.51 C ATOM 138 OG1 THR A 9 9.500 13.248 -7.271 1.00 24.21 O ATOM 139 CG2 THR A 9 8.294 15.322 -6.979 1.00 32.31 C ATOM 0 H THR A 9 10.090 12.366 -5.006 1.00 50.43 H new ATOM 0 HA THR A 9 10.613 15.062 -5.584 1.00 11.00 H new ATOM 0 HB THR A 9 8.002 13.528 -5.859 1.00 3.51 H new ATOM 0 HG1 THR A 9 9.568 12.331 -6.931 1.00 24.21 H new ATOM 0 HG21 THR A 9 7.603 15.034 -7.771 1.00 32.31 H new ATOM 0 HG22 THR A 9 7.770 15.936 -6.246 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.119 15.892 -7.407 1.00 32.31 H new ATOM 147 N SER A 10 8.479 14.499 -3.139 1.00 65.42 N ATOM 148 CA SER A 10 7.796 15.123 -2.014 1.00 14.20 C ATOM 149 C SER A 10 8.800 15.840 -1.115 1.00 60.34 C ATOM 150 O SER A 10 8.524 16.930 -0.608 1.00 33.45 O ATOM 151 CB SER A 10 7.019 14.076 -1.211 1.00 14.00 C ATOM 152 OG SER A 10 6.083 13.396 -2.034 1.00 11.13 O ATOM 0 H SER A 10 8.440 13.480 -3.143 1.00 65.42 H new ATOM 0 HA SER A 10 7.089 15.856 -2.403 1.00 14.20 H new ATOM 0 HB2 SER A 10 7.714 13.358 -0.774 1.00 14.00 H new ATOM 0 HB3 SER A 10 6.498 14.559 -0.384 1.00 14.00 H new ATOM 0 HG SER A 10 6.530 12.655 -2.494 1.00 11.13 H new ATOM 158 N ILE A 11 9.967 15.225 -0.929 1.00 41.21 N ATOM 159 CA ILE A 11 11.044 15.838 -0.158 1.00 43.24 C ATOM 160 C ILE A 11 11.507 17.132 -0.826 1.00 34.21 C ATOM 161 O ILE A 11 11.590 18.175 -0.182 1.00 51.11 O ATOM 162 CB ILE A 11 12.250 14.880 -0.001 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.827 13.589 0.711 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.386 15.557 0.757 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.266 13.810 2.101 1.00 53.14 C ATOM 0 H ILE A 11 10.189 14.302 -1.302 1.00 41.21 H new ATOM 0 HA ILE A 11 10.649 16.058 0.834 1.00 43.24 H new ATOM 0 HB ILE A 11 12.609 14.624 -0.998 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.078 13.080 0.104 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.688 12.924 0.779 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.222 14.864 0.855 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.711 16.443 0.211 1.00 53.04 H new ATOM 0 HG23 ILE A 11 13.039 15.849 1.748 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.990 12.851 2.539 1.00 53.14 H new ATOM 0 HD12 ILE A 11 12.019 14.290 2.725 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.384 14.448 2.040 1.00 53.14 H new ATOM 177 N VAL A 12 11.790 17.053 -2.124 1.00 21.55 N ATOM 178 CA VAL A 12 12.204 18.216 -2.909 1.00 14.34 C ATOM 179 C VAL A 12 11.200 19.360 -2.769 1.00 13.44 C ATOM 180 O VAL A 12 11.576 20.502 -2.483 1.00 43.23 O ATOM 181 CB VAL A 12 12.352 17.859 -4.406 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.725 19.086 -5.227 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.385 16.761 -4.600 1.00 24.24 C ATOM 0 H VAL A 12 11.740 16.187 -2.660 1.00 21.55 H new ATOM 0 HA VAL A 12 13.171 18.534 -2.519 1.00 14.34 H new ATOM 0 HB VAL A 12 11.387 17.493 -4.757 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.823 18.806 -6.276 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.947 19.843 -5.124 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.673 19.489 -4.869 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.472 16.527 -5.661 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.350 17.099 -4.223 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.075 15.869 -4.056 1.00 24.24 H new ATOM 193 N ALA A 13 9.924 19.041 -2.965 1.00 44.22 N ATOM 194 CA ALA A 13 8.860 20.027 -2.844 1.00 63.42 C ATOM 195 C ALA A 13 8.843 20.633 -1.447 1.00 5.15 C ATOM 196 O ALA A 13 8.783 21.849 -1.292 1.00 60.31 O ATOM 197 CB ALA A 13 7.513 19.396 -3.168 1.00 50.45 C ATOM 0 H ALA A 13 9.603 18.104 -3.209 1.00 44.22 H new ATOM 0 HA ALA A 13 9.050 20.827 -3.560 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.728 20.146 -3.073 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.527 19.012 -4.188 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.319 18.577 -2.475 1.00 50.45 H new ATOM 203 N TRP A 14 8.925 19.771 -0.441 1.00 34.42 N ATOM 204 CA TRP A 14 8.949 20.194 0.956 1.00 42.25 C ATOM 205 C TRP A 14 10.108 21.156 1.218 1.00 70.10 C ATOM 206 O TRP A 14 9.910 22.250 1.752 1.00 3.04 O ATOM 207 CB TRP A 14 9.051 18.952 1.852 1.00 32.24 C ATOM 208 CG TRP A 14 9.378 19.228 3.289 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.761 20.111 4.126 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.398 18.588 4.061 1.00 1.21 C ATOM 211 NE1 TRP A 14 9.341 20.065 5.371 1.00 52.34 N ATOM 212 CE2 TRP A 14 10.349 19.134 5.357 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.347 17.601 3.779 1.00 11.11 C ATOM 214 CZ2 TRP A 14 11.219 18.727 6.368 1.00 42.32 C ATOM 215 CZ3 TRP A 14 12.206 17.198 4.781 1.00 1.43 C ATOM 216 CH2 TRP A 14 12.138 17.757 6.062 1.00 73.14 C ATOM 0 H TRP A 14 8.977 18.760 -0.569 1.00 34.42 H new ATOM 0 HA TRP A 14 8.028 20.729 1.186 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.105 18.413 1.808 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.814 18.290 1.443 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.937 20.753 3.850 1.00 2.33 H new ATOM 0 HE1 TRP A 14 9.067 20.631 6.174 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.407 17.162 2.794 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 11.171 19.160 7.356 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.944 16.437 4.573 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.823 17.417 6.825 1.00 73.14 H new ATOM 227 N LEU A 15 11.306 20.750 0.812 1.00 2.10 N ATOM 228 CA LEU A 15 12.507 21.546 1.034 1.00 34.45 C ATOM 229 C LEU A 15 12.382 22.929 0.408 1.00 0.13 C ATOM 230 O LEU A 15 12.606 23.944 1.070 1.00 34.54 O ATOM 231 CB LEU A 15 13.737 20.838 0.457 1.00 11.03 C ATOM 232 CG LEU A 15 14.029 19.454 1.037 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.325 18.905 0.463 1.00 61.44 C ATOM 234 CD2 LEU A 15 14.097 19.513 2.556 1.00 64.45 C ATOM 0 H LEU A 15 11.471 19.869 0.325 1.00 2.10 H new ATOM 0 HA LEU A 15 12.625 21.661 2.111 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.607 20.742 -0.621 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.609 21.472 0.618 1.00 11.03 H new ATOM 0 HG LEU A 15 13.216 18.783 0.759 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.521 17.919 0.885 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.238 18.826 -0.621 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.147 19.576 0.713 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.306 18.518 2.950 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.890 20.197 2.858 1.00 64.45 H new ATOM 0 HD23 LEU A 15 13.144 19.866 2.949 1.00 64.45 H new ATOM 246 N ARG A 16 12.008 22.966 -0.868 1.00 2.41 N ATOM 247 CA ARG A 16 11.940 24.231 -1.586 1.00 31.15 C ATOM 248 C ARG A 16 10.764 25.076 -1.096 1.00 5.31 C ATOM 249 O ARG A 16 10.874 26.299 -1.016 1.00 11.03 O ATOM 250 CB ARG A 16 11.856 23.992 -3.102 1.00 12.41 C ATOM 251 CG ARG A 16 10.504 23.520 -3.607 1.00 75.42 C ATOM 252 CD ARG A 16 10.568 23.159 -5.081 1.00 13.34 C ATOM 253 NE ARG A 16 11.370 24.118 -5.844 1.00 41.44 N ATOM 254 CZ ARG A 16 11.435 24.151 -7.173 1.00 71.15 C ATOM 255 NH1 ARG A 16 10.659 23.358 -7.905 1.00 44.40 N ATOM 256 NH2 ARG A 16 12.262 24.999 -7.771 1.00 61.31 N ATOM 0 H ARG A 16 11.751 22.146 -1.418 1.00 2.41 H new ATOM 0 HA ARG A 16 12.856 24.786 -1.383 1.00 31.15 H new ATOM 0 HB2 ARG A 16 12.115 24.918 -3.615 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.608 23.253 -3.380 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.179 22.654 -3.031 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.761 24.302 -3.453 1.00 75.42 H new ATOM 0 HD2 ARG A 16 10.992 22.161 -5.192 1.00 13.34 H new ATOM 0 HD3 ARG A 16 9.558 23.123 -5.490 1.00 13.34 H new ATOM 0 HE ARG A 16 11.914 24.805 -5.323 1.00 41.44 H new ATOM 0 HH11 ARG A 16 10.008 22.719 -7.449 1.00 44.40 H new ATOM 0 HH12 ARG A 16 10.714 23.389 -8.923 1.00 44.40 H new ATOM 0 HH21 ARG A 16 12.845 25.622 -7.212 1.00 61.31 H new ATOM 0 HH22 ARG A 16 12.315 25.027 -8.789 1.00 61.31 H new ATOM 270 N ALA A 17 9.656 24.427 -0.741 1.00 2.12 N ATOM 271 CA ALA A 17 8.494 25.136 -0.213 1.00 33.54 C ATOM 272 C ALA A 17 8.823 25.747 1.139 1.00 24.54 C ATOM 273 O ALA A 17 8.253 26.765 1.529 1.00 1.33 O ATOM 274 CB ALA A 17 7.295 24.208 -0.096 1.00 34.13 C ATOM 0 H ALA A 17 9.540 23.416 -0.809 1.00 2.12 H new ATOM 0 HA ALA A 17 8.236 25.934 -0.909 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.444 24.762 0.300 1.00 34.13 H new ATOM 0 HB2 ALA A 17 7.044 23.812 -1.080 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.536 23.385 0.576 1.00 34.13 H new ATOM 280 N GLY A 18 9.746 25.107 1.851 1.00 51.14 N ATOM 281 CA GLY A 18 10.239 25.653 3.093 1.00 30.22 C ATOM 282 C GLY A 18 10.836 27.036 2.911 1.00 44.24 C ATOM 283 O GLY A 18 10.702 27.899 3.783 1.00 11.14 O ATOM 0 H GLY A 18 10.161 24.214 1.584 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.424 25.702 3.816 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.993 24.985 3.508 1.00 30.22 H new ATOM 287 N TYR A 19 11.472 27.261 1.767 1.00 34.05 N ATOM 288 CA TYR A 19 12.095 28.547 1.485 1.00 45.12 C ATOM 289 C TYR A 19 11.887 28.962 0.032 1.00 10.22 C ATOM 290 O TYR A 19 12.746 28.736 -0.820 1.00 41.13 O ATOM 291 CB TYR A 19 13.591 28.516 1.824 1.00 74.13 C ATOM 292 CG TYR A 19 13.872 28.697 3.297 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.034 29.967 3.830 1.00 25.43 C ATOM 294 CD2 TYR A 19 13.949 27.608 4.157 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.267 30.151 5.176 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.172 27.783 5.509 1.00 73.24 C ATOM 297 CZ TYR A 19 14.334 29.059 6.012 1.00 34.14 C ATOM 298 OH TYR A 19 14.526 29.249 7.360 1.00 52.11 O ATOM 0 H TYR A 19 11.569 26.571 1.022 1.00 34.05 H new ATOM 0 HA TYR A 19 11.611 29.290 2.119 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.012 27.566 1.495 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.100 29.301 1.265 1.00 74.13 H new ATOM 0 HD1 TYR A 19 13.977 30.827 3.179 1.00 25.43 H new ATOM 0 HD2 TYR A 19 13.833 26.609 3.762 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.396 31.147 5.573 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.219 26.928 6.168 1.00 73.24 H new ATOM 0 HH TYR A 19 15.453 29.522 7.523 1.00 52.11 H new ATOM 308 N PRO A 20 10.725 29.568 -0.273 1.00 2.25 N ATOM 309 CA PRO A 20 10.441 30.100 -1.610 1.00 33.00 C ATOM 310 C PRO A 20 11.308 31.317 -1.914 1.00 63.40 C ATOM 311 O PRO A 20 11.453 31.732 -3.062 1.00 22.41 O ATOM 312 CB PRO A 20 8.961 30.490 -1.539 1.00 62.04 C ATOM 313 CG PRO A 20 8.692 30.711 -0.089 1.00 43.04 C ATOM 314 CD PRO A 20 9.593 29.764 0.653 1.00 11.52 C ATOM 0 HA PRO A 20 10.653 29.381 -2.401 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.761 31.391 -2.120 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.325 29.703 -1.943 1.00 62.04 H new ATOM 0 HG2 PRO A 20 8.897 31.744 0.192 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.645 30.518 0.147 1.00 43.04 H new ATOM 0 HD2 PRO A 20 9.921 30.184 1.604 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.090 28.823 0.876 1.00 11.52 H new ATOM 322 N GLU A 21 11.891 31.869 -0.860 1.00 2.11 N ATOM 323 CA GLU A 21 12.803 33.000 -0.969 1.00 73.24 C ATOM 324 C GLU A 21 14.171 32.517 -1.436 1.00 20.44 C ATOM 325 O GLU A 21 15.024 33.304 -1.842 1.00 40.30 O ATOM 326 CB GLU A 21 12.955 33.671 0.399 1.00 43.24 C ATOM 327 CG GLU A 21 11.641 33.897 1.131 1.00 22.23 C ATOM 328 CD GLU A 21 10.776 34.947 0.476 1.00 20.12 C ATOM 329 OE1 GLU A 21 9.955 34.590 -0.396 1.00 51.00 O ATOM 330 OE2 GLU A 21 10.906 36.132 0.838 1.00 52.40 O ATOM 0 H GLU A 21 11.745 31.546 0.096 1.00 2.11 H new ATOM 0 HA GLU A 21 12.400 33.712 -1.689 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.605 33.057 1.023 1.00 43.24 H new ATOM 0 HB3 GLU A 21 13.454 34.631 0.267 1.00 43.24 H new ATOM 0 HG2 GLU A 21 11.091 32.957 1.177 1.00 22.23 H new ATOM 0 HG3 GLU A 21 11.850 34.195 2.158 1.00 22.23 H new ATOM 337 N GLY A 22 14.354 31.207 -1.387 1.00 34.52 N ATOM 338 CA GLY A 22 15.664 30.631 -1.561 1.00 33.44 C ATOM 339 C GLY A 22 16.219 30.224 -0.219 1.00 53.53 C ATOM 340 O GLY A 22 15.790 30.755 0.806 1.00 11.30 O ATOM 0 H GLY A 22 13.609 30.529 -1.228 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.607 29.765 -2.220 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.329 31.351 -2.038 1.00 33.44 H new ATOM 344 N ILE A 23 17.144 29.281 -0.201 1.00 21.02 N ATOM 345 CA ILE A 23 17.691 28.794 1.057 1.00 2.44 C ATOM 346 C ILE A 23 19.027 29.469 1.345 1.00 35.10 C ATOM 347 O ILE A 23 20.033 29.162 0.707 1.00 4.14 O ATOM 348 CB ILE A 23 17.879 27.253 1.072 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.548 26.520 0.839 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.489 26.806 2.396 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.108 26.469 -0.611 1.00 33.31 C ATOM 0 H ILE A 23 17.531 28.839 -1.035 1.00 21.02 H new ATOM 0 HA ILE A 23 16.967 29.045 1.832 1.00 2.44 H new ATOM 0 HB ILE A 23 18.556 26.996 0.257 1.00 73.03 H new ATOM 0 HG12 ILE A 23 16.637 25.501 1.215 1.00 44.05 H new ATOM 0 HG13 ILE A 23 15.770 27.009 1.425 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.615 25.723 2.392 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.460 27.284 2.529 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.829 27.091 3.215 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.161 25.935 -0.685 1.00 33.31 H new ATOM 0 HD12 ILE A 23 15.983 27.484 -0.989 1.00 33.31 H new ATOM 0 HD13 ILE A 23 16.864 25.952 -1.203 1.00 33.31 H new ATOM 363 N PRO A 24 19.045 30.420 2.295 1.00 3.32 N ATOM 364 CA PRO A 24 20.269 31.129 2.671 1.00 71.45 C ATOM 365 C PRO A 24 21.319 30.190 3.269 1.00 31.25 C ATOM 366 O PRO A 24 20.984 29.126 3.795 1.00 10.15 O ATOM 367 CB PRO A 24 19.803 32.158 3.712 1.00 34.22 C ATOM 368 CG PRO A 24 18.465 31.693 4.177 1.00 32.44 C ATOM 369 CD PRO A 24 17.872 30.882 3.060 1.00 74.45 C ATOM 0 HA PRO A 24 20.752 31.585 1.807 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.506 32.218 4.543 1.00 34.22 H new ATOM 0 HB3 PRO A 24 19.740 33.154 3.275 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.558 31.093 5.082 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.825 32.541 4.421 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.288 30.044 3.441 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.203 31.482 2.442 1.00 74.45 H new ATOM 377 N PRO A 25 22.608 30.578 3.186 1.00 35.02 N ATOM 378 CA PRO A 25 23.749 29.767 3.661 1.00 12.04 C ATOM 379 C PRO A 25 23.816 29.600 5.181 1.00 11.40 C ATOM 380 O PRO A 25 24.898 29.467 5.755 1.00 22.20 O ATOM 381 CB PRO A 25 24.978 30.546 3.172 1.00 2.20 C ATOM 382 CG PRO A 25 24.460 31.498 2.152 1.00 24.32 C ATOM 383 CD PRO A 25 23.065 31.832 2.575 1.00 72.20 C ATOM 0 HA PRO A 25 23.671 28.748 3.281 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.461 31.075 3.994 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.723 29.876 2.742 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.079 32.394 2.104 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.470 31.050 1.158 1.00 24.32 H new ATOM 0 HD2 PRO A 25 23.043 32.660 3.284 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.443 32.121 1.728 1.00 72.20 H new ATOM 391 N THR A 26 22.672 29.615 5.828 1.00 51.12 N ATOM 392 CA THR A 26 22.592 29.304 7.240 1.00 71.04 C ATOM 393 C THR A 26 21.769 28.040 7.422 1.00 51.20 C ATOM 394 O THR A 26 22.264 27.012 7.885 1.00 74.44 O ATOM 395 CB THR A 26 21.946 30.456 8.036 1.00 21.22 C ATOM 396 OG1 THR A 26 22.593 31.694 7.712 1.00 52.23 O ATOM 397 CG2 THR A 26 22.039 30.208 9.536 1.00 51.12 C ATOM 0 H THR A 26 21.776 29.841 5.395 1.00 51.12 H new ATOM 0 HA THR A 26 23.604 29.159 7.619 1.00 71.04 H new ATOM 0 HB THR A 26 20.892 30.509 7.761 1.00 21.22 H new ATOM 0 HG1 THR A 26 22.178 32.423 8.219 1.00 52.23 H new ATOM 0 HG21 THR A 26 21.575 31.037 10.071 1.00 51.12 H new ATOM 0 HG22 THR A 26 21.522 29.281 9.784 1.00 51.12 H new ATOM 0 HG23 THR A 26 23.086 30.129 9.827 1.00 51.12 H new ATOM 405 N ASP A 27 20.527 28.124 6.963 1.00 40.23 N ATOM 406 CA ASP A 27 19.545 27.061 7.120 1.00 64.21 C ATOM 407 C ASP A 27 19.943 25.819 6.343 1.00 23.45 C ATOM 408 O ASP A 27 19.404 24.739 6.566 1.00 13.20 O ATOM 409 CB ASP A 27 18.186 27.549 6.622 1.00 62.14 C ATOM 410 CG ASP A 27 17.833 28.918 7.163 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.420 29.914 6.683 1.00 22.33 O ATOM 412 OD2 ASP A 27 16.975 28.999 8.061 1.00 12.42 O ATOM 0 H ASP A 27 20.170 28.940 6.466 1.00 40.23 H new ATOM 0 HA ASP A 27 19.492 26.802 8.177 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.191 27.582 5.533 1.00 62.14 H new ATOM 0 HB3 ASP A 27 17.416 26.835 6.916 1.00 62.14 H new ATOM 417 N SER A 28 20.885 25.975 5.423 1.00 54.23 N ATOM 418 CA SER A 28 21.334 24.872 4.590 1.00 53.34 C ATOM 419 C SER A 28 21.898 23.742 5.447 1.00 42.43 C ATOM 420 O SER A 28 21.632 22.563 5.200 1.00 42.13 O ATOM 421 CB SER A 28 22.399 25.371 3.617 1.00 4.45 C ATOM 422 OG SER A 28 22.435 26.789 3.598 1.00 12.42 O ATOM 0 H SER A 28 21.354 26.861 5.235 1.00 54.23 H new ATOM 0 HA SER A 28 20.482 24.484 4.031 1.00 53.34 H new ATOM 0 HB2 SER A 28 23.375 24.981 3.907 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.190 24.994 2.616 1.00 4.45 H new ATOM 0 HG SER A 28 22.403 27.105 2.671 1.00 12.42 H new ATOM 428 N PHE A 29 22.651 24.113 6.477 1.00 42.55 N ATOM 429 CA PHE A 29 23.288 23.130 7.341 1.00 4.12 C ATOM 430 C PHE A 29 22.271 22.562 8.322 1.00 35.43 C ATOM 431 O PHE A 29 22.362 21.403 8.726 1.00 12.15 O ATOM 432 CB PHE A 29 24.474 23.748 8.090 1.00 33.34 C ATOM 433 CG PHE A 29 25.555 24.296 7.187 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.597 23.963 5.840 1.00 60.53 C ATOM 435 CD2 PHE A 29 26.523 25.150 7.689 1.00 24.54 C ATOM 436 CE1 PHE A 29 26.582 24.472 5.015 1.00 42.44 C ATOM 437 CE2 PHE A 29 27.512 25.661 6.868 1.00 25.20 C ATOM 438 CZ PHE A 29 27.539 25.325 5.529 1.00 14.20 C ATOM 0 H PHE A 29 22.834 25.084 6.732 1.00 42.55 H new ATOM 0 HA PHE A 29 23.669 22.319 6.721 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.108 24.551 8.729 1.00 33.34 H new ATOM 0 HB3 PHE A 29 24.910 22.993 8.744 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.851 23.298 5.432 1.00 60.53 H new ATOM 0 HD2 PHE A 29 26.505 25.420 8.734 1.00 24.54 H new ATOM 0 HE1 PHE A 29 26.603 24.203 3.969 1.00 42.44 H new ATOM 0 HE2 PHE A 29 28.263 26.323 7.274 1.00 25.20 H new ATOM 0 HZ PHE A 29 28.307 25.728 4.885 1.00 14.20 H new ATOM 448 N ALA A 30 21.301 23.386 8.693 1.00 14.21 N ATOM 449 CA ALA A 30 20.180 22.939 9.500 1.00 35.22 C ATOM 450 C ALA A 30 19.354 21.908 8.737 1.00 13.34 C ATOM 451 O ALA A 30 19.035 20.843 9.266 1.00 31.42 O ATOM 452 CB ALA A 30 19.320 24.123 9.902 1.00 43.15 C ATOM 0 H ALA A 30 21.271 24.375 8.444 1.00 14.21 H new ATOM 0 HA ALA A 30 20.564 22.468 10.405 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.482 23.776 10.507 1.00 43.15 H new ATOM 0 HB2 ALA A 30 19.918 24.827 10.481 1.00 43.15 H new ATOM 0 HB3 ALA A 30 18.941 24.618 9.008 1.00 43.15 H new ATOM 458 N VAL A 31 19.018 22.227 7.485 1.00 22.11 N ATOM 459 CA VAL A 31 18.325 21.287 6.607 1.00 35.35 C ATOM 460 C VAL A 31 19.115 19.988 6.514 1.00 24.34 C ATOM 461 O VAL A 31 18.554 18.896 6.624 1.00 23.22 O ATOM 462 CB VAL A 31 18.118 21.865 5.183 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.531 20.818 4.249 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.218 23.088 5.222 1.00 4.31 C ATOM 0 H VAL A 31 19.216 23.132 7.058 1.00 22.11 H new ATOM 0 HA VAL A 31 17.342 21.100 7.040 1.00 35.35 H new ATOM 0 HB VAL A 31 19.095 22.161 4.802 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.396 21.250 3.257 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.209 19.967 4.185 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.567 20.486 4.634 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.087 23.476 4.212 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.247 22.812 5.633 1.00 4.31 H new ATOM 0 HG23 VAL A 31 17.673 23.855 5.849 1.00 4.31 H new ATOM 474 N LEU A 32 20.424 20.125 6.330 1.00 10.50 N ATOM 475 CA LEU A 32 21.335 18.986 6.335 1.00 25.41 C ATOM 476 C LEU A 32 21.165 18.157 7.608 1.00 40.04 C ATOM 477 O LEU A 32 21.011 16.937 7.548 1.00 73.03 O ATOM 478 CB LEU A 32 22.778 19.489 6.219 1.00 30.42 C ATOM 479 CG LEU A 32 23.865 18.510 6.672 1.00 42.24 C ATOM 480 CD1 LEU A 32 23.876 17.262 5.798 1.00 63.55 C ATOM 481 CD2 LEU A 32 25.223 19.195 6.657 1.00 45.32 C ATOM 0 H LEU A 32 20.881 21.023 6.174 1.00 10.50 H new ATOM 0 HA LEU A 32 21.103 18.346 5.484 1.00 25.41 H new ATOM 0 HB2 LEU A 32 22.967 19.756 5.179 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.872 20.403 6.805 1.00 30.42 H new ATOM 0 HG LEU A 32 23.644 18.196 7.692 1.00 42.24 H new ATOM 0 HD11 LEU A 32 24.657 16.584 6.142 1.00 63.55 H new ATOM 0 HD12 LEU A 32 22.909 16.764 5.863 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.070 17.544 4.763 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.989 18.491 6.981 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.447 19.536 5.646 1.00 45.32 H new ATOM 0 HD23 LEU A 32 25.207 20.050 7.333 1.00 45.32 H new ATOM 493 N ALA A 33 21.169 18.831 8.750 1.00 25.31 N ATOM 494 CA ALA A 33 21.067 18.161 10.038 1.00 12.22 C ATOM 495 C ALA A 33 19.746 17.410 10.178 1.00 4.10 C ATOM 496 O ALA A 33 19.708 16.315 10.731 1.00 40.14 O ATOM 497 CB ALA A 33 21.231 19.162 11.169 1.00 3.22 C ATOM 0 H ALA A 33 21.242 19.847 8.810 1.00 25.31 H new ATOM 0 HA ALA A 33 21.871 17.428 10.095 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.152 18.646 12.126 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.208 19.639 11.093 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.451 19.920 11.100 1.00 3.22 H new ATOM 503 N LEU A 34 18.663 18.006 9.695 1.00 53.14 N ATOM 504 CA LEU A 34 17.354 17.361 9.752 1.00 63.15 C ATOM 505 C LEU A 34 17.270 16.190 8.776 1.00 74.13 C ATOM 506 O LEU A 34 16.854 15.093 9.150 1.00 75.13 O ATOM 507 CB LEU A 34 16.227 18.365 9.476 1.00 2.44 C ATOM 508 CG LEU A 34 15.717 19.138 10.696 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.295 18.180 11.800 1.00 40.53 C ATOM 510 CD2 LEU A 34 16.770 20.101 11.205 1.00 2.14 C ATOM 0 H LEU A 34 18.663 18.929 9.262 1.00 53.14 H new ATOM 0 HA LEU A 34 17.228 16.973 10.763 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.577 19.082 8.734 1.00 2.44 H new ATOM 0 HB3 LEU A 34 15.388 17.830 9.031 1.00 2.44 H new ATOM 0 HG LEU A 34 14.846 19.717 10.388 1.00 20.15 H new ATOM 0 HD11 LEU A 34 14.936 18.749 12.658 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.498 17.532 11.435 1.00 40.53 H new ATOM 0 HD13 LEU A 34 16.148 17.572 12.100 1.00 40.53 H new ATOM 0 HD21 LEU A 34 16.384 20.638 12.071 1.00 2.14 H new ATOM 0 HD22 LEU A 34 17.663 19.546 11.491 1.00 2.14 H new ATOM 0 HD23 LEU A 34 17.022 20.813 10.419 1.00 2.14 H new ATOM 522 N LEU A 35 17.682 16.422 7.533 1.00 33.13 N ATOM 523 CA LEU A 35 17.585 15.405 6.489 1.00 40.52 C ATOM 524 C LEU A 35 18.442 14.186 6.798 1.00 5.24 C ATOM 525 O LEU A 35 18.020 13.058 6.562 1.00 72.35 O ATOM 526 CB LEU A 35 17.991 15.977 5.131 1.00 55.52 C ATOM 527 CG LEU A 35 17.014 16.974 4.515 1.00 3.21 C ATOM 528 CD1 LEU A 35 17.518 17.434 3.158 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.630 16.356 4.388 1.00 64.40 C ATOM 0 H LEU A 35 18.087 17.306 7.223 1.00 33.13 H new ATOM 0 HA LEU A 35 16.542 15.091 6.455 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.960 16.464 5.238 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.125 15.150 4.434 1.00 55.52 H new ATOM 0 HG LEU A 35 16.943 17.841 5.172 1.00 3.21 H new ATOM 0 HD11 LEU A 35 16.812 18.145 2.729 1.00 51.22 H new ATOM 0 HD12 LEU A 35 18.490 17.913 3.274 1.00 51.22 H new ATOM 0 HD13 LEU A 35 17.615 16.574 2.495 1.00 51.22 H new ATOM 0 HD21 LEU A 35 14.947 17.082 3.947 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.683 15.473 3.751 1.00 64.40 H new ATOM 0 HD23 LEU A 35 15.267 16.070 5.375 1.00 64.40 H new ATOM 541 N CYS A 36 19.632 14.420 7.345 1.00 33.14 N ATOM 542 CA CYS A 36 20.603 13.349 7.576 1.00 11.42 C ATOM 543 C CYS A 36 20.099 12.328 8.602 1.00 12.21 C ATOM 544 O CYS A 36 20.646 11.229 8.715 1.00 70.34 O ATOM 545 CB CYS A 36 21.940 13.948 8.041 1.00 4.50 C ATOM 546 SG CYS A 36 23.300 12.759 8.116 1.00 54.32 S ATOM 0 H CYS A 36 19.950 15.344 7.638 1.00 33.14 H new ATOM 0 HA CYS A 36 20.745 12.822 6.633 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.217 14.757 7.365 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.804 14.389 9.028 1.00 4.50 H new ATOM 0 HG CYS A 36 22.833 11.585 8.421 1.00 54.32 H new ATOM 552 N ARG A 37 19.053 12.681 9.341 1.00 51.20 N ATOM 553 CA ARG A 37 18.502 11.784 10.354 1.00 34.43 C ATOM 554 C ARG A 37 17.445 10.868 9.740 1.00 14.35 C ATOM 555 O ARG A 37 16.981 9.920 10.371 1.00 42.53 O ATOM 556 CB ARG A 37 17.915 12.594 11.512 1.00 32.30 C ATOM 557 CG ARG A 37 18.893 13.621 12.051 1.00 43.23 C ATOM 558 CD ARG A 37 18.311 14.423 13.202 1.00 5.05 C ATOM 559 NE ARG A 37 19.065 15.659 13.415 1.00 43.43 N ATOM 560 CZ ARG A 37 19.801 15.922 14.496 1.00 2.44 C ATOM 561 NH1 ARG A 37 19.925 15.021 15.465 1.00 61.42 N ATOM 562 NH2 ARG A 37 20.434 17.088 14.592 1.00 55.24 N ATOM 0 H ARG A 37 18.571 13.576 9.260 1.00 51.20 H new ATOM 0 HA ARG A 37 19.305 11.159 10.743 1.00 34.43 H new ATOM 0 HB2 ARG A 37 17.009 13.099 11.177 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.623 11.917 12.315 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.799 13.116 12.385 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.183 14.299 11.249 1.00 43.23 H new ATOM 0 HD2 ARG A 37 17.268 14.661 12.993 1.00 5.05 H new ATOM 0 HD3 ARG A 37 18.325 13.823 14.112 1.00 5.05 H new ATOM 0 HE ARG A 37 19.025 16.370 12.685 1.00 43.43 H new ATOM 0 HH11 ARG A 37 19.455 14.119 15.386 1.00 61.42 H new ATOM 0 HH12 ARG A 37 20.490 15.231 16.288 1.00 61.42 H new ATOM 0 HH21 ARG A 37 20.355 17.775 13.842 1.00 55.24 H new ATOM 0 HH22 ARG A 37 20.998 17.296 15.416 1.00 55.24 H new ATOM 576 N ARG A 38 17.083 11.155 8.498 1.00 2.53 N ATOM 577 CA ARG A 38 16.141 10.327 7.754 1.00 2.05 C ATOM 578 C ARG A 38 16.871 9.708 6.578 1.00 61.41 C ATOM 579 O ARG A 38 16.912 8.490 6.411 1.00 11.31 O ATOM 580 CB ARG A 38 14.970 11.188 7.247 1.00 23.14 C ATOM 581 CG ARG A 38 13.683 10.430 6.900 1.00 24.55 C ATOM 582 CD ARG A 38 13.726 9.692 5.561 1.00 5.44 C ATOM 583 NE ARG A 38 14.310 8.352 5.649 1.00 52.14 N ATOM 584 CZ ARG A 38 13.966 7.334 4.854 1.00 24.15 C ATOM 585 NH1 ARG A 38 13.003 7.485 3.951 1.00 53.54 N ATOM 586 NH2 ARG A 38 14.577 6.161 4.973 1.00 25.01 N ATOM 0 H ARG A 38 17.430 11.962 7.979 1.00 2.53 H new ATOM 0 HA ARG A 38 15.742 9.545 8.401 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.736 11.933 8.008 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.300 11.730 6.361 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.475 9.710 7.691 1.00 24.55 H new ATOM 0 HG3 ARG A 38 12.853 11.136 6.885 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.713 9.613 5.167 1.00 5.44 H new ATOM 0 HD3 ARG A 38 14.300 10.283 4.848 1.00 5.44 H new ATOM 0 HE ARG A 38 15.022 8.185 6.360 1.00 52.14 H new ATOM 0 HH11 ARG A 38 12.523 8.381 3.862 1.00 53.54 H new ATOM 0 HH12 ARG A 38 12.744 6.705 3.346 1.00 53.54 H new ATOM 0 HH21 ARG A 38 15.310 6.036 5.672 1.00 25.01 H new ATOM 0 HH22 ARG A 38 14.314 5.385 4.366 1.00 25.01 H new ATOM 600 N LEU A 39 17.470 10.574 5.789 1.00 65.23 N ATOM 601 CA LEU A 39 18.118 10.194 4.557 1.00 20.15 C ATOM 602 C LEU A 39 19.630 10.250 4.734 1.00 65.21 C ATOM 603 O LEU A 39 20.135 11.033 5.537 1.00 43.15 O ATOM 604 CB LEU A 39 17.659 11.146 3.455 1.00 10.31 C ATOM 605 CG LEU A 39 16.140 11.202 3.243 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.767 12.409 2.398 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.653 9.925 2.577 1.00 20.33 C ATOM 0 H LEU A 39 17.520 11.573 5.989 1.00 65.23 H new ATOM 0 HA LEU A 39 17.850 9.174 4.283 1.00 20.15 H new ATOM 0 HB2 LEU A 39 18.016 12.149 3.689 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.132 10.850 2.518 1.00 10.31 H new ATOM 0 HG LEU A 39 15.658 11.296 4.216 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.686 12.434 2.257 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.088 13.320 2.903 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.258 12.339 1.427 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.574 9.979 2.433 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.143 9.809 1.610 1.00 20.33 H new ATOM 0 HD23 LEU A 39 15.892 9.070 3.210 1.00 20.33 H new ATOM 619 N SER A 40 20.350 9.426 3.994 1.00 0.33 N ATOM 620 CA SER A 40 21.787 9.330 4.163 1.00 2.24 C ATOM 621 C SER A 40 22.497 10.389 3.317 1.00 60.02 C ATOM 622 O SER A 40 21.852 11.153 2.589 1.00 20.13 O ATOM 623 CB SER A 40 22.263 7.925 3.795 1.00 31.30 C ATOM 624 OG SER A 40 23.544 7.656 4.338 1.00 44.04 O ATOM 0 H SER A 40 19.964 8.816 3.273 1.00 0.33 H new ATOM 0 HA SER A 40 22.035 9.515 5.208 1.00 2.24 H new ATOM 0 HB2 SER A 40 21.548 7.189 4.162 1.00 31.30 H new ATOM 0 HB3 SER A 40 22.297 7.823 2.710 1.00 31.30 H new ATOM 0 HG SER A 40 23.822 6.750 4.088 1.00 44.04 H new ATOM 630 N HIS A 41 23.824 10.427 3.413 1.00 13.31 N ATOM 631 CA HIS A 41 24.614 11.453 2.738 1.00 75.25 C ATOM 632 C HIS A 41 24.456 11.390 1.220 1.00 41.11 C ATOM 633 O HIS A 41 24.544 12.412 0.552 1.00 41.13 O ATOM 634 CB HIS A 41 26.101 11.372 3.130 1.00 10.05 C ATOM 635 CG HIS A 41 26.772 10.066 2.815 1.00 74.22 C ATOM 636 ND1 HIS A 41 26.867 9.032 3.719 1.00 64.11 N ATOM 637 CD2 HIS A 41 27.403 9.639 1.694 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.529 8.030 3.171 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.864 8.372 1.942 1.00 43.23 N ATOM 0 H HIS A 41 24.375 9.759 3.952 1.00 13.31 H new ATOM 0 HA HIS A 41 24.226 12.415 3.073 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.639 12.171 2.621 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.189 11.560 4.200 1.00 10.05 H new ATOM 0 HD2 HIS A 41 27.521 10.194 0.775 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.758 7.089 3.649 1.00 64.54 H new ATOM 0 HE2 HIS A 41 28.381 7.789 1.284 1.00 43.23 H new ATOM 648 N ASP A 42 24.217 10.202 0.677 1.00 23.54 N ATOM 649 CA ASP A 42 24.005 10.064 -0.762 1.00 0.05 C ATOM 650 C ASP A 42 22.661 10.665 -1.159 1.00 12.44 C ATOM 651 O ASP A 42 22.552 11.353 -2.179 1.00 21.11 O ATOM 652 CB ASP A 42 24.077 8.595 -1.184 1.00 61.05 C ATOM 653 CG ASP A 42 23.853 8.402 -2.672 1.00 60.32 C ATOM 654 OD1 ASP A 42 24.677 8.887 -3.474 1.00 63.43 O ATOM 655 OD2 ASP A 42 22.863 7.737 -3.046 1.00 11.00 O ATOM 0 H ASP A 42 24.165 9.329 1.202 1.00 23.54 H new ATOM 0 HA ASP A 42 24.797 10.606 -1.278 1.00 0.05 H new ATOM 0 HB2 ASP A 42 25.052 8.190 -0.912 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.330 8.025 -0.631 1.00 61.05 H new ATOM 660 N GLU A 43 21.645 10.421 -0.333 1.00 14.52 N ATOM 661 CA GLU A 43 20.319 10.986 -0.556 1.00 51.01 C ATOM 662 C GLU A 43 20.368 12.509 -0.545 1.00 73.32 C ATOM 663 O GLU A 43 19.876 13.160 -1.469 1.00 20.03 O ATOM 664 CB GLU A 43 19.326 10.505 0.508 1.00 51.22 C ATOM 665 CG GLU A 43 18.753 9.115 0.269 1.00 54.12 C ATOM 666 CD GLU A 43 19.786 8.012 0.339 1.00 74.12 C ATOM 667 OE1 GLU A 43 20.504 7.926 1.353 1.00 44.24 O ATOM 668 OE2 GLU A 43 19.878 7.222 -0.623 1.00 43.22 O ATOM 0 H GLU A 43 21.717 9.834 0.498 1.00 14.52 H new ATOM 0 HA GLU A 43 19.983 10.644 -1.535 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.822 10.515 1.478 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.502 11.217 0.564 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.975 8.920 1.008 1.00 54.12 H new ATOM 0 HG3 GLU A 43 18.275 9.092 -0.710 1.00 54.12 H new ATOM 675 N VAL A 44 20.969 13.079 0.498 1.00 12.04 N ATOM 676 CA VAL A 44 21.039 14.532 0.626 1.00 64.12 C ATOM 677 C VAL A 44 21.946 15.135 -0.448 1.00 44.32 C ATOM 678 O VAL A 44 21.687 16.231 -0.944 1.00 4.42 O ATOM 679 CB VAL A 44 21.510 14.978 2.032 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.545 14.481 3.096 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.922 14.498 2.328 1.00 41.02 C ATOM 0 H VAL A 44 21.410 12.563 1.259 1.00 12.04 H new ATOM 0 HA VAL A 44 20.025 14.906 0.485 1.00 64.12 H new ATOM 0 HB VAL A 44 21.522 16.068 2.048 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.890 14.803 4.079 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.553 14.891 2.907 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.499 13.392 3.066 1.00 55.54 H new ATOM 0 HG21 VAL A 44 23.218 14.830 3.323 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.953 13.409 2.285 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.609 14.910 1.589 1.00 41.02 H new ATOM 691 N LYS A 45 22.991 14.402 -0.816 1.00 40.31 N ATOM 692 CA LYS A 45 23.891 14.820 -1.884 1.00 12.13 C ATOM 693 C LYS A 45 23.139 14.897 -3.212 1.00 13.43 C ATOM 694 O LYS A 45 23.342 15.823 -3.999 1.00 15.20 O ATOM 695 CB LYS A 45 25.071 13.840 -1.972 1.00 61.33 C ATOM 696 CG LYS A 45 25.965 13.999 -3.192 1.00 2.02 C ATOM 697 CD LYS A 45 26.678 15.339 -3.216 1.00 33.13 C ATOM 698 CE LYS A 45 27.852 15.315 -4.180 1.00 75.13 C ATOM 699 NZ LYS A 45 27.440 14.951 -5.564 1.00 24.32 N ATOM 0 H LYS A 45 23.237 13.510 -0.387 1.00 40.31 H new ATOM 0 HA LYS A 45 24.279 15.814 -1.664 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.683 13.954 -1.077 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.678 12.823 -1.961 1.00 61.33 H new ATOM 0 HG2 LYS A 45 26.703 13.197 -3.205 1.00 2.02 H new ATOM 0 HG3 LYS A 45 25.364 13.894 -4.095 1.00 2.02 H new ATOM 0 HD2 LYS A 45 25.978 16.122 -3.509 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.031 15.585 -2.214 1.00 33.13 H new ATOM 0 HE2 LYS A 45 28.330 16.295 -4.191 1.00 75.13 H new ATOM 0 HE3 LYS A 45 28.596 14.602 -3.825 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 28.234 15.111 -6.216 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 27.166 13.948 -5.592 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 26.632 15.539 -5.852 1.00 24.32 H new ATOM 713 N ALA A 46 22.255 13.933 -3.441 1.00 24.01 N ATOM 714 CA ALA A 46 21.466 13.896 -4.664 1.00 74.23 C ATOM 715 C ALA A 46 20.420 15.011 -4.687 1.00 34.34 C ATOM 716 O ALA A 46 20.340 15.775 -5.651 1.00 23.14 O ATOM 717 CB ALA A 46 20.799 12.538 -4.823 1.00 34.25 C ATOM 0 H ALA A 46 22.067 13.167 -2.795 1.00 24.01 H new ATOM 0 HA ALA A 46 22.142 14.057 -5.503 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.213 12.526 -5.742 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.562 11.761 -4.869 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.144 12.353 -3.972 1.00 34.25 H new ATOM 723 N VAL A 47 19.634 15.112 -3.617 1.00 63.11 N ATOM 724 CA VAL A 47 18.529 16.071 -3.565 1.00 5.15 C ATOM 725 C VAL A 47 19.031 17.519 -3.583 1.00 71.40 C ATOM 726 O VAL A 47 18.436 18.376 -4.239 1.00 3.44 O ATOM 727 CB VAL A 47 17.616 15.831 -2.333 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.356 16.066 -1.026 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.371 16.700 -2.407 1.00 1.32 C ATOM 0 H VAL A 47 19.740 14.544 -2.776 1.00 63.11 H new ATOM 0 HA VAL A 47 17.934 15.908 -4.464 1.00 5.15 H new ATOM 0 HB VAL A 47 17.312 14.784 -2.354 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.681 15.887 -0.189 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.204 15.384 -0.960 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.714 17.095 -0.990 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.746 16.515 -1.533 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.661 17.750 -2.430 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.812 16.458 -3.311 1.00 1.32 H new ATOM 739 N ALA A 48 20.133 17.787 -2.887 1.00 53.54 N ATOM 740 CA ALA A 48 20.697 19.130 -2.858 1.00 3.21 C ATOM 741 C ALA A 48 21.206 19.519 -4.238 1.00 22.54 C ATOM 742 O ALA A 48 20.946 20.624 -4.720 1.00 13.30 O ATOM 743 CB ALA A 48 21.818 19.223 -1.833 1.00 15.11 C ATOM 0 H ALA A 48 20.648 17.097 -2.340 1.00 53.54 H new ATOM 0 HA ALA A 48 19.910 19.826 -2.567 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.224 20.234 -1.829 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.427 18.985 -0.844 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.607 18.516 -2.091 1.00 15.11 H new ATOM 749 N ASN A 49 21.910 18.590 -4.875 1.00 73.23 N ATOM 750 CA ASN A 49 22.445 18.812 -6.211 1.00 11.34 C ATOM 751 C ASN A 49 21.312 19.070 -7.196 1.00 21.14 C ATOM 752 O ASN A 49 21.349 20.034 -7.952 1.00 34.35 O ATOM 753 CB ASN A 49 23.267 17.601 -6.662 1.00 24.22 C ATOM 754 CG ASN A 49 23.956 17.818 -7.997 1.00 72.24 C ATOM 755 OD1 ASN A 49 25.076 18.325 -8.053 1.00 13.43 O ATOM 756 ND2 ASN A 49 23.302 17.419 -9.078 1.00 34.41 N ATOM 0 H ASN A 49 22.124 17.672 -4.485 1.00 73.23 H new ATOM 0 HA ASN A 49 23.095 19.687 -6.184 1.00 11.34 H new ATOM 0 HB2 ASN A 49 24.017 17.375 -5.904 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.614 16.731 -6.733 1.00 24.22 H new ATOM 0 HD21 ASN A 49 23.726 17.528 -9.999 1.00 34.41 H new ATOM 0 HD22 ASN A 49 22.375 17.003 -8.989 1.00 34.41 H new ATOM 763 N GLU A 50 20.300 18.207 -7.160 1.00 63.12 N ATOM 764 CA GLU A 50 19.127 18.343 -8.022 1.00 22.12 C ATOM 765 C GLU A 50 18.484 19.719 -7.866 1.00 22.40 C ATOM 766 O GLU A 50 18.247 20.427 -8.847 1.00 61.11 O ATOM 767 CB GLU A 50 18.100 17.261 -7.675 1.00 3.54 C ATOM 768 CG GLU A 50 16.775 17.409 -8.406 1.00 54.34 C ATOM 769 CD GLU A 50 16.877 17.064 -9.881 1.00 12.15 C ATOM 770 OE1 GLU A 50 17.390 17.888 -10.664 1.00 72.03 O ATOM 771 OE2 GLU A 50 16.449 15.955 -10.264 1.00 13.25 O ATOM 0 H GLU A 50 20.268 17.399 -6.538 1.00 63.12 H new ATOM 0 HA GLU A 50 19.453 18.228 -9.056 1.00 22.12 H new ATOM 0 HB2 GLU A 50 18.524 16.284 -7.907 1.00 3.54 H new ATOM 0 HB3 GLU A 50 17.915 17.281 -6.601 1.00 3.54 H new ATOM 0 HG2 GLU A 50 16.032 16.764 -7.937 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.419 18.434 -8.301 1.00 54.34 H new ATOM 778 N LEU A 51 18.225 20.096 -6.622 1.00 72.23 N ATOM 779 CA LEU A 51 17.514 21.330 -6.322 1.00 55.41 C ATOM 780 C LEU A 51 18.317 22.549 -6.786 1.00 24.41 C ATOM 781 O LEU A 51 17.758 23.478 -7.363 1.00 62.31 O ATOM 782 CB LEU A 51 17.219 21.384 -4.817 1.00 14.10 C ATOM 783 CG LEU A 51 16.083 22.324 -4.372 1.00 34.30 C ATOM 784 CD1 LEU A 51 16.492 23.784 -4.465 1.00 63.41 C ATOM 785 CD2 LEU A 51 14.830 22.074 -5.199 1.00 30.24 C ATOM 0 H LEU A 51 18.499 19.560 -5.799 1.00 72.23 H new ATOM 0 HA LEU A 51 16.569 21.349 -6.865 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.979 20.376 -4.480 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.131 21.684 -4.301 1.00 14.10 H new ATOM 0 HG LEU A 51 15.868 22.106 -3.326 1.00 34.30 H new ATOM 0 HD11 LEU A 51 15.664 24.415 -4.143 1.00 63.41 H new ATOM 0 HD12 LEU A 51 17.355 23.962 -3.823 1.00 63.41 H new ATOM 0 HD13 LEU A 51 16.751 24.024 -5.496 1.00 63.41 H new ATOM 0 HD21 LEU A 51 14.037 22.747 -4.871 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.047 22.255 -6.252 1.00 30.24 H new ATOM 0 HD23 LEU A 51 14.507 21.041 -5.067 1.00 30.24 H new ATOM 797 N MET A 52 19.626 22.537 -6.551 1.00 34.31 N ATOM 798 CA MET A 52 20.487 23.637 -6.991 1.00 22.22 C ATOM 799 C MET A 52 20.614 23.659 -8.514 1.00 41.23 C ATOM 800 O MET A 52 20.706 24.722 -9.132 1.00 64.42 O ATOM 801 CB MET A 52 21.885 23.520 -6.373 1.00 43.15 C ATOM 802 CG MET A 52 21.934 23.787 -4.878 1.00 23.10 C ATOM 803 SD MET A 52 23.607 23.633 -4.223 1.00 2.50 S ATOM 804 CE MET A 52 23.345 24.102 -2.521 1.00 45.22 C ATOM 0 H MET A 52 20.113 21.786 -6.063 1.00 34.31 H new ATOM 0 HA MET A 52 20.022 24.565 -6.657 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.271 22.519 -6.564 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.552 24.220 -6.877 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.555 24.789 -4.675 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.276 23.087 -4.362 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.294 24.074 -1.986 1.00 45.22 H new ATOM 0 HE2 MET A 52 22.935 25.111 -2.481 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.645 23.408 -2.056 1.00 45.22 H new ATOM 814 N ARG A 53 20.628 22.474 -9.101 1.00 0.12 N ATOM 815 CA ARG A 53 20.815 22.317 -10.540 1.00 31.34 C ATOM 816 C ARG A 53 19.576 22.754 -11.321 1.00 53.14 C ATOM 817 O ARG A 53 19.665 23.573 -12.238 1.00 11.32 O ATOM 818 CB ARG A 53 21.137 20.852 -10.842 1.00 43.45 C ATOM 819 CG ARG A 53 21.498 20.560 -12.288 1.00 71.50 C ATOM 820 CD ARG A 53 21.747 19.075 -12.472 1.00 51.30 C ATOM 821 NE ARG A 53 22.166 18.737 -13.829 1.00 54.25 N ATOM 822 CZ ARG A 53 21.908 17.567 -14.412 1.00 53.43 C ATOM 823 NH1 ARG A 53 21.167 16.659 -13.784 1.00 52.52 N ATOM 824 NH2 ARG A 53 22.379 17.311 -15.626 1.00 40.44 N ATOM 0 H ARG A 53 20.511 21.594 -8.598 1.00 0.12 H new ATOM 0 HA ARG A 53 21.640 22.956 -10.854 1.00 31.34 H new ATOM 0 HB2 ARG A 53 21.965 20.539 -10.206 1.00 43.45 H new ATOM 0 HB3 ARG A 53 20.276 20.242 -10.568 1.00 43.45 H new ATOM 0 HG2 ARG A 53 20.692 20.886 -12.945 1.00 71.50 H new ATOM 0 HG3 ARG A 53 22.387 21.124 -12.570 1.00 71.50 H new ATOM 0 HD2 ARG A 53 22.513 18.749 -11.768 1.00 51.30 H new ATOM 0 HD3 ARG A 53 20.837 18.526 -12.230 1.00 51.30 H new ATOM 0 HE ARG A 53 22.685 19.436 -14.361 1.00 54.25 H new ATOM 0 HH11 ARG A 53 20.795 16.858 -12.855 1.00 52.52 H new ATOM 0 HH12 ARG A 53 20.970 15.764 -14.231 1.00 52.52 H new ATOM 0 HH21 ARG A 53 22.939 18.010 -16.114 1.00 40.44 H new ATOM 0 HH22 ARG A 53 22.181 16.415 -16.071 1.00 40.44 H new ATOM 838 N LEU A 54 18.424 22.214 -10.951 1.00 71.25 N ATOM 839 CA LEU A 54 17.200 22.433 -11.714 1.00 62.34 C ATOM 840 C LEU A 54 16.324 23.510 -11.068 1.00 22.45 C ATOM 841 O LEU A 54 15.188 23.740 -11.488 1.00 5.15 O ATOM 842 CB LEU A 54 16.430 21.112 -11.836 1.00 64.53 C ATOM 843 CG LEU A 54 15.307 21.097 -12.874 1.00 41.12 C ATOM 844 CD1 LEU A 54 15.858 21.349 -14.269 1.00 41.11 C ATOM 845 CD2 LEU A 54 14.565 19.769 -12.829 1.00 13.34 C ATOM 0 H LEU A 54 18.309 21.622 -10.129 1.00 71.25 H new ATOM 0 HA LEU A 54 17.470 22.787 -12.709 1.00 62.34 H new ATOM 0 HB2 LEU A 54 17.138 20.320 -12.081 1.00 64.53 H new ATOM 0 HB3 LEU A 54 16.004 20.869 -10.862 1.00 64.53 H new ATOM 0 HG LEU A 54 14.607 21.898 -12.634 1.00 41.12 H new ATOM 0 HD11 LEU A 54 15.041 21.334 -14.991 1.00 41.11 H new ATOM 0 HD12 LEU A 54 16.348 22.322 -14.296 1.00 41.11 H new ATOM 0 HD13 LEU A 54 16.580 20.572 -14.521 1.00 41.11 H new ATOM 0 HD21 LEU A 54 13.768 19.772 -13.573 1.00 13.34 H new ATOM 0 HD22 LEU A 54 15.259 18.957 -13.044 1.00 13.34 H new ATOM 0 HD23 LEU A 54 14.135 19.626 -11.838 1.00 13.34 H new ATOM 857 N GLY A 55 16.854 24.168 -10.047 1.00 41.21 N ATOM 858 CA GLY A 55 16.122 25.234 -9.384 1.00 63.30 C ATOM 859 C GLY A 55 17.048 26.290 -8.816 1.00 62.12 C ATOM 860 O GLY A 55 18.199 26.403 -9.245 1.00 34.14 O ATOM 0 H GLY A 55 17.781 23.984 -9.663 1.00 41.21 H new ATOM 0 HA2 GLY A 55 15.435 25.697 -10.092 1.00 63.30 H new ATOM 0 HA3 GLY A 55 15.516 24.813 -8.581 1.00 63.30 H new ATOM 864 N ASP A 56 16.554 27.072 -7.867 1.00 0.02 N ATOM 865 CA ASP A 56 17.377 28.080 -7.212 1.00 15.42 C ATOM 866 C ASP A 56 17.601 27.701 -5.755 1.00 64.31 C ATOM 867 O ASP A 56 16.747 27.063 -5.134 1.00 71.51 O ATOM 868 CB ASP A 56 16.743 29.476 -7.304 1.00 73.02 C ATOM 869 CG ASP A 56 15.524 29.645 -6.414 1.00 5.42 C ATOM 870 OD1 ASP A 56 14.403 29.317 -6.860 1.00 72.25 O ATOM 871 OD2 ASP A 56 15.677 30.124 -5.272 1.00 0.31 O ATOM 0 H ASP A 56 15.591 27.029 -7.534 1.00 0.02 H new ATOM 0 HA ASP A 56 18.336 28.117 -7.729 1.00 15.42 H new ATOM 0 HB2 ASP A 56 17.488 30.224 -7.033 1.00 73.02 H new ATOM 0 HB3 ASP A 56 16.458 29.670 -8.338 1.00 73.02 H new ATOM 876 N PHE A 57 18.752 28.080 -5.223 1.00 41.20 N ATOM 877 CA PHE A 57 19.118 27.741 -3.855 1.00 0.01 C ATOM 878 C PHE A 57 20.082 28.792 -3.306 1.00 54.22 C ATOM 879 O PHE A 57 19.657 29.778 -2.702 1.00 53.24 O ATOM 880 CB PHE A 57 19.764 26.348 -3.836 1.00 1.34 C ATOM 881 CG PHE A 57 19.872 25.705 -2.482 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.772 26.170 -1.539 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.081 24.615 -2.164 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.881 25.561 -0.303 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.183 24.001 -0.933 1.00 74.50 C ATOM 886 CZ PHE A 57 20.085 24.474 0.000 1.00 15.54 C ATOM 0 H PHE A 57 19.454 28.627 -5.721 1.00 41.20 H new ATOM 0 HA PHE A 57 18.229 27.726 -3.224 1.00 0.01 H new ATOM 0 HB2 PHE A 57 19.188 25.690 -4.487 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.764 26.424 -4.264 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.397 27.019 -1.772 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.374 24.240 -2.889 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.587 25.934 0.424 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.558 23.152 -0.699 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.168 23.995 0.964 1.00 15.54 H new ATOM 896 N ASP A 58 21.370 28.573 -3.563 1.00 55.52 N ATOM 897 CA ASP A 58 22.452 29.483 -3.179 1.00 42.31 C ATOM 898 C ASP A 58 23.768 28.776 -3.472 1.00 31.30 C ATOM 899 O ASP A 58 23.854 27.555 -3.335 1.00 23.35 O ATOM 900 CB ASP A 58 22.396 29.873 -1.690 1.00 72.43 C ATOM 901 CG ASP A 58 23.191 31.134 -1.389 1.00 71.31 C ATOM 902 OD1 ASP A 58 24.439 31.072 -1.353 1.00 3.53 O ATOM 903 OD2 ASP A 58 22.566 32.202 -1.192 1.00 11.45 O ATOM 0 H ASP A 58 21.699 27.742 -4.054 1.00 55.52 H new ATOM 0 HA ASP A 58 22.353 30.407 -3.748 1.00 42.31 H new ATOM 0 HB2 ASP A 58 21.357 30.023 -1.396 1.00 72.43 H new ATOM 0 HB3 ASP A 58 22.782 29.051 -1.087 1.00 72.43 H new ATOM 908 N GLN A 59 24.779 29.512 -3.899 1.00 65.13 N ATOM 909 CA GLN A 59 26.045 28.893 -4.263 1.00 61.52 C ATOM 910 C GLN A 59 27.001 28.865 -3.073 1.00 42.02 C ATOM 911 O GLN A 59 27.708 29.838 -2.798 1.00 22.20 O ATOM 912 CB GLN A 59 26.679 29.615 -5.456 1.00 52.04 C ATOM 913 CG GLN A 59 27.941 28.946 -5.988 1.00 33.10 C ATOM 914 CD GLN A 59 27.735 27.481 -6.326 1.00 42.12 C ATOM 915 OE1 GLN A 59 27.330 27.136 -7.437 1.00 43.20 O ATOM 916 NE2 GLN A 59 28.033 26.605 -5.377 1.00 63.24 N ATOM 0 H GLN A 59 24.752 30.526 -4.002 1.00 65.13 H new ATOM 0 HA GLN A 59 25.845 27.863 -4.557 1.00 61.52 H new ATOM 0 HB2 GLN A 59 25.946 29.677 -6.261 1.00 52.04 H new ATOM 0 HB3 GLN A 59 26.918 30.637 -5.163 1.00 52.04 H new ATOM 0 HG2 GLN A 59 28.279 29.475 -6.879 1.00 33.10 H new ATOM 0 HG3 GLN A 59 28.734 29.034 -5.245 1.00 33.10 H new ATOM 0 HE21 GLN A 59 28.366 26.930 -4.469 1.00 63.24 H new ATOM 0 HE22 GLN A 59 27.930 25.606 -5.555 1.00 63.24 H new ATOM 925 N ILE A 60 27.004 27.742 -2.369 1.00 73.33 N ATOM 926 CA ILE A 60 27.869 27.543 -1.210 1.00 52.00 C ATOM 927 C ILE A 60 28.415 26.120 -1.194 1.00 62.32 C ATOM 928 O ILE A 60 28.010 25.287 -2.010 1.00 61.30 O ATOM 929 CB ILE A 60 27.117 27.803 0.113 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.784 27.046 0.123 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.901 29.296 0.324 1.00 12.40 C ATOM 932 CD1 ILE A 60 24.996 27.210 1.404 1.00 34.21 C ATOM 0 H ILE A 60 26.408 26.942 -2.583 1.00 73.33 H new ATOM 0 HA ILE A 60 28.688 28.257 -1.293 1.00 52.00 H new ATOM 0 HB ILE A 60 27.725 27.434 0.939 1.00 22.03 H new ATOM 0 HG12 ILE A 60 25.175 27.390 -0.713 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.978 25.986 -0.040 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.369 29.458 1.262 1.00 12.40 H new ATOM 0 HG22 ILE A 60 27.866 29.801 0.362 1.00 12.40 H new ATOM 0 HG23 ILE A 60 26.313 29.699 -0.501 1.00 12.40 H new ATOM 0 HD11 ILE A 60 24.066 26.645 1.334 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.584 26.838 2.243 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.769 28.265 1.559 1.00 34.21 H new ATOM 944 N ASP A 61 29.326 25.843 -0.272 1.00 74.15 N ATOM 945 CA ASP A 61 29.909 24.511 -0.148 1.00 11.11 C ATOM 946 C ASP A 61 29.010 23.597 0.671 1.00 32.54 C ATOM 947 O ASP A 61 29.090 23.563 1.898 1.00 44.33 O ATOM 948 CB ASP A 61 31.298 24.564 0.495 1.00 43.43 C ATOM 949 CG ASP A 61 32.326 25.261 -0.370 1.00 44.22 C ATOM 950 OD1 ASP A 61 32.711 24.701 -1.419 1.00 63.43 O ATOM 951 OD2 ASP A 61 32.768 26.367 0.007 1.00 51.15 O ATOM 0 H ASP A 61 29.679 26.522 0.402 1.00 74.15 H new ATOM 0 HA ASP A 61 30.006 24.110 -1.157 1.00 11.11 H new ATOM 0 HB2 ASP A 61 31.229 25.079 1.453 1.00 43.43 H new ATOM 0 HB3 ASP A 61 31.635 23.548 0.702 1.00 43.43 H new ATOM 956 N ILE A 62 28.145 22.868 -0.011 1.00 1.14 N ATOM 957 CA ILE A 62 27.280 21.901 0.644 1.00 44.54 C ATOM 958 C ILE A 62 27.953 20.539 0.674 1.00 35.03 C ATOM 959 O ILE A 62 27.981 19.872 1.710 1.00 21.22 O ATOM 960 CB ILE A 62 25.907 21.800 -0.061 1.00 53.15 C ATOM 961 CG1 ILE A 62 25.105 23.083 0.172 1.00 34.35 C ATOM 962 CG2 ILE A 62 25.122 20.581 0.417 1.00 21.32 C ATOM 963 CD1 ILE A 62 24.825 23.374 1.633 1.00 32.22 C ATOM 0 H ILE A 62 28.022 22.927 -1.022 1.00 1.14 H new ATOM 0 HA ILE A 62 27.107 22.242 1.665 1.00 44.54 H new ATOM 0 HB ILE A 62 26.082 21.678 -1.130 1.00 53.15 H new ATOM 0 HG12 ILE A 62 25.649 23.924 -0.258 1.00 34.35 H new ATOM 0 HG13 ILE A 62 24.158 23.010 -0.362 1.00 34.35 H new ATOM 0 HG21 ILE A 62 24.163 20.541 -0.099 1.00 21.32 H new ATOM 0 HG22 ILE A 62 25.689 19.675 0.200 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.954 20.655 1.491 1.00 21.32 H new ATOM 0 HD11 ILE A 62 24.253 24.298 1.717 1.00 32.22 H new ATOM 0 HD12 ILE A 62 24.253 22.553 2.064 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.768 23.481 2.170 1.00 32.22 H new ATOM 975 N GLY A 63 28.532 20.157 -0.461 1.00 31.43 N ATOM 976 CA GLY A 63 29.209 18.879 -0.566 1.00 52.11 C ATOM 977 C GLY A 63 30.297 18.720 0.473 1.00 31.22 C ATOM 978 O GLY A 63 30.501 17.632 1.004 1.00 14.54 O ATOM 0 H GLY A 63 28.543 20.715 -1.315 1.00 31.43 H new ATOM 0 HA2 GLY A 63 28.482 18.075 -0.454 1.00 52.11 H new ATOM 0 HA3 GLY A 63 29.643 18.780 -1.561 1.00 52.11 H new ATOM 982 N VAL A 64 30.977 19.817 0.778 1.00 13.42 N ATOM 983 CA VAL A 64 32.040 19.813 1.772 1.00 34.32 C ATOM 984 C VAL A 64 31.499 19.463 3.156 1.00 53.31 C ATOM 985 O VAL A 64 32.013 18.572 3.823 1.00 3.43 O ATOM 986 CB VAL A 64 32.756 21.180 1.833 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.808 21.201 2.932 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.389 21.510 0.490 1.00 21.11 C ATOM 0 H VAL A 64 30.809 20.726 0.348 1.00 13.42 H new ATOM 0 HA VAL A 64 32.758 19.052 1.468 1.00 34.32 H new ATOM 0 HB VAL A 64 32.009 21.939 2.065 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.295 22.176 2.951 1.00 30.14 H new ATOM 0 HG12 VAL A 64 33.332 21.015 3.895 1.00 30.14 H new ATOM 0 HG13 VAL A 64 34.551 20.428 2.739 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.889 22.477 0.551 1.00 21.11 H new ATOM 0 HG22 VAL A 64 34.117 20.741 0.232 1.00 21.11 H new ATOM 0 HG23 VAL A 64 32.615 21.550 -0.277 1.00 21.11 H new ATOM 998 N VAL A 65 30.436 20.142 3.565 1.00 25.53 N ATOM 999 CA VAL A 65 29.911 19.997 4.919 1.00 41.35 C ATOM 1000 C VAL A 65 29.187 18.661 5.109 1.00 15.00 C ATOM 1001 O VAL A 65 29.273 18.051 6.172 1.00 61.02 O ATOM 1002 CB VAL A 65 28.961 21.164 5.275 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.468 21.056 6.711 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.654 22.499 5.052 1.00 63.33 C ATOM 0 H VAL A 65 29.919 20.799 2.980 1.00 25.53 H new ATOM 0 HA VAL A 65 30.767 20.019 5.594 1.00 41.35 H new ATOM 0 HB VAL A 65 28.094 21.103 4.617 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.802 21.891 6.931 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.929 20.118 6.841 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.320 21.082 7.391 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.972 23.310 5.307 1.00 63.33 H new ATOM 0 HG22 VAL A 65 30.541 22.559 5.683 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.947 22.587 4.006 1.00 63.33 H new ATOM 1014 N ILE A 66 28.491 18.193 4.077 1.00 60.32 N ATOM 1015 CA ILE A 66 27.710 16.963 4.196 1.00 21.23 C ATOM 1016 C ILE A 66 28.605 15.723 4.232 1.00 32.33 C ATOM 1017 O ILE A 66 28.226 14.693 4.787 1.00 44.40 O ATOM 1018 CB ILE A 66 26.678 16.802 3.056 1.00 4.44 C ATOM 1019 CG1 ILE A 66 27.374 16.614 1.707 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.749 18.006 3.010 1.00 30.33 C ATOM 1021 CD1 ILE A 66 26.432 16.220 0.593 1.00 22.24 C ATOM 0 H ILE A 66 28.450 18.639 3.160 1.00 60.32 H new ATOM 0 HA ILE A 66 27.173 17.050 5.141 1.00 21.23 H new ATOM 0 HB ILE A 66 26.086 15.909 3.258 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.878 17.541 1.435 1.00 1.10 H new ATOM 0 HG13 ILE A 66 28.145 15.850 1.808 1.00 1.10 H new ATOM 0 HG21 ILE A 66 25.028 17.879 2.203 1.00 30.33 H new ATOM 0 HG22 ILE A 66 25.220 18.094 3.959 1.00 30.33 H new ATOM 0 HG23 ILE A 66 26.333 18.910 2.836 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.993 16.104 -0.334 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.946 15.277 0.844 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.676 16.995 0.465 1.00 22.24 H new ATOM 1033 N THR A 67 29.788 15.815 3.639 1.00 14.14 N ATOM 1034 CA THR A 67 30.702 14.683 3.631 1.00 50.13 C ATOM 1035 C THR A 67 31.843 14.902 4.621 1.00 71.42 C ATOM 1036 O THR A 67 32.657 14.007 4.862 1.00 32.31 O ATOM 1037 CB THR A 67 31.263 14.410 2.219 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.899 15.584 1.695 1.00 22.32 O ATOM 1039 CG2 THR A 67 30.152 13.963 1.274 1.00 74.34 C ATOM 0 H THR A 67 30.133 16.649 3.164 1.00 14.14 H new ATOM 0 HA THR A 67 30.133 13.805 3.938 1.00 50.13 H new ATOM 0 HB THR A 67 32.000 13.611 2.299 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.229 16.287 1.561 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.569 13.776 0.285 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.697 13.049 1.655 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.395 14.745 1.207 1.00 74.34 H new ATOM 1047 N HIS A 68 31.882 16.096 5.200 1.00 62.10 N ATOM 1048 CA HIS A 68 32.858 16.434 6.225 1.00 75.44 C ATOM 1049 C HIS A 68 32.258 17.440 7.203 1.00 63.13 C ATOM 1050 O HIS A 68 32.330 18.654 6.996 1.00 34.35 O ATOM 1051 CB HIS A 68 34.143 16.994 5.601 1.00 73.14 C ATOM 1052 CG HIS A 68 35.174 17.405 6.610 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.756 18.654 6.628 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.724 16.724 7.642 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.613 18.723 7.626 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.614 17.567 8.258 1.00 54.52 N ATOM 0 H HIS A 68 31.239 16.854 4.972 1.00 62.10 H new ATOM 0 HA HIS A 68 33.118 15.524 6.765 1.00 75.44 H new ATOM 0 HB2 HIS A 68 34.574 16.241 4.941 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.890 17.855 4.982 1.00 73.14 H new ATOM 0 HD2 HIS A 68 35.503 15.706 7.928 1.00 52.12 H new ATOM 0 HE1 HIS A 68 37.214 19.583 7.883 1.00 12.54 H new ATOM 0 HE2 HIS A 68 37.183 17.336 9.072 1.00 54.52 H new ATOM 1065 N PHE A 69 31.640 16.919 8.251 1.00 30.31 N ATOM 1066 CA PHE A 69 31.051 17.750 9.291 1.00 22.22 C ATOM 1067 C PHE A 69 32.133 18.317 10.199 1.00 3.34 C ATOM 1068 O PHE A 69 33.322 18.035 10.028 1.00 14.12 O ATOM 1069 CB PHE A 69 30.063 16.937 10.132 1.00 5.11 C ATOM 1070 CG PHE A 69 28.851 16.463 9.382 1.00 12.44 C ATOM 1071 CD1 PHE A 69 28.878 15.275 8.671 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.678 17.200 9.403 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.759 14.832 7.992 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.558 16.764 8.725 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.598 15.578 8.019 1.00 61.22 C ATOM 0 H PHE A 69 31.532 15.916 8.405 1.00 30.31 H new ATOM 0 HA PHE A 69 30.522 18.570 8.806 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.582 16.071 10.544 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.738 17.545 10.976 1.00 5.11 H new ATOM 0 HD1 PHE A 69 29.784 14.688 8.647 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.640 18.127 9.956 1.00 75.14 H new ATOM 0 HE1 PHE A 69 27.793 13.904 7.441 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.651 17.350 8.747 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.722 15.235 7.489 1.00 61.22 H new ATOM 1085 N THR A 70 31.713 19.111 11.169 1.00 73.34 N ATOM 1086 CA THR A 70 32.618 19.642 12.167 1.00 1.43 C ATOM 1087 C THR A 70 31.948 19.538 13.538 1.00 12.24 C ATOM 1088 O THR A 70 30.802 19.094 13.630 1.00 70.15 O ATOM 1089 CB THR A 70 33.025 21.100 11.840 1.00 44.13 C ATOM 1090 OG1 THR A 70 34.198 21.468 12.580 1.00 53.25 O ATOM 1091 CG2 THR A 70 31.897 22.078 12.142 1.00 54.12 C ATOM 0 H THR A 70 30.742 19.402 11.285 1.00 73.34 H new ATOM 0 HA THR A 70 33.539 19.059 12.172 1.00 1.43 H new ATOM 0 HB THR A 70 33.240 21.150 10.772 1.00 44.13 H new ATOM 0 HG1 THR A 70 33.936 21.966 13.382 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.219 23.091 11.900 1.00 54.12 H new ATOM 0 HG22 THR A 70 31.023 21.822 11.542 1.00 54.12 H new ATOM 0 HG23 THR A 70 31.640 22.022 13.200 1.00 54.12 H new ATOM 1099 N ASP A 71 32.640 19.931 14.595 1.00 4.40 N ATOM 1100 CA ASP A 71 32.125 19.734 15.946 1.00 51.42 C ATOM 1101 C ASP A 71 31.180 20.863 16.348 1.00 70.43 C ATOM 1102 O ASP A 71 30.152 20.635 16.984 1.00 25.34 O ATOM 1103 CB ASP A 71 33.279 19.654 16.943 1.00 3.12 C ATOM 1104 CG ASP A 71 32.914 18.911 18.210 1.00 32.33 C ATOM 1105 OD1 ASP A 71 32.017 19.367 18.946 1.00 55.22 O ATOM 1106 OD2 ASP A 71 33.534 17.862 18.477 1.00 43.24 O ATOM 0 H ASP A 71 33.552 20.385 14.548 1.00 4.40 H new ATOM 0 HA ASP A 71 31.568 18.797 15.957 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.127 19.160 16.470 1.00 3.12 H new ATOM 0 HB3 ASP A 71 33.601 20.663 17.200 1.00 3.12 H new ATOM 1111 N GLU A 72 31.537 22.080 15.956 1.00 53.51 N ATOM 1112 CA GLU A 72 30.797 23.269 16.365 1.00 25.43 C ATOM 1113 C GLU A 72 29.449 23.368 15.649 1.00 33.41 C ATOM 1114 O GLU A 72 28.432 23.687 16.265 1.00 73.40 O ATOM 1115 CB GLU A 72 31.617 24.537 16.067 1.00 22.45 C ATOM 1116 CG GLU A 72 33.122 24.376 16.252 1.00 12.13 C ATOM 1117 CD GLU A 72 33.806 23.800 15.022 1.00 21.13 C ATOM 1118 OE1 GLU A 72 33.904 22.560 14.914 1.00 21.12 O ATOM 1119 OE2 GLU A 72 34.234 24.582 14.155 1.00 34.31 O ATOM 0 H GLU A 72 32.337 22.270 15.353 1.00 53.51 H new ATOM 0 HA GLU A 72 30.617 23.185 17.437 1.00 25.43 H new ATOM 0 HB2 GLU A 72 31.421 24.848 15.041 1.00 22.45 H new ATOM 0 HB3 GLU A 72 31.268 25.341 16.716 1.00 22.45 H new ATOM 0 HG2 GLU A 72 33.561 25.346 16.486 1.00 12.13 H new ATOM 0 HG3 GLU A 72 33.311 23.726 17.106 1.00 12.13 H new ATOM 1126 N LEU A 73 29.446 23.080 14.354 1.00 73.25 N ATOM 1127 CA LEU A 73 28.239 23.198 13.540 1.00 13.42 C ATOM 1128 C LEU A 73 27.790 21.823 13.057 1.00 3.21 C ATOM 1129 O LEU A 73 28.601 20.900 12.982 1.00 21.12 O ATOM 1130 CB LEU A 73 28.473 24.122 12.333 1.00 45.25 C ATOM 1131 CG LEU A 73 28.573 25.624 12.641 1.00 34.40 C ATOM 1132 CD1 LEU A 73 29.912 25.973 13.273 1.00 1.43 C ATOM 1133 CD2 LEU A 73 28.357 26.434 11.372 1.00 14.24 C ATOM 0 H LEU A 73 30.268 22.762 13.841 1.00 73.25 H new ATOM 0 HA LEU A 73 27.457 23.634 14.162 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.392 23.812 11.836 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.660 23.971 11.623 1.00 45.25 H new ATOM 0 HG LEU A 73 27.792 25.874 13.359 1.00 34.40 H new ATOM 0 HD11 LEU A 73 29.950 27.043 13.478 1.00 1.43 H new ATOM 0 HD12 LEU A 73 30.029 25.420 14.205 1.00 1.43 H new ATOM 0 HD13 LEU A 73 30.718 25.706 12.589 1.00 1.43 H new ATOM 0 HD21 LEU A 73 28.430 27.497 11.602 1.00 14.24 H new ATOM 0 HD22 LEU A 73 29.117 26.169 10.637 1.00 14.24 H new ATOM 0 HD23 LEU A 73 27.369 26.218 10.966 1.00 14.24 H new ATOM 1145 N PRO A 74 26.497 21.657 12.721 1.00 15.30 N ATOM 1146 CA PRO A 74 25.493 22.730 12.795 1.00 74.21 C ATOM 1147 C PRO A 74 25.045 23.012 14.231 1.00 3.21 C ATOM 1148 O PRO A 74 25.316 22.228 15.142 1.00 20.44 O ATOM 1149 CB PRO A 74 24.337 22.178 11.958 1.00 52.45 C ATOM 1150 CG PRO A 74 24.444 20.698 12.101 1.00 33.51 C ATOM 1151 CD PRO A 74 25.913 20.392 12.238 1.00 1.34 C ATOM 0 HA PRO A 74 25.878 23.684 12.436 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.376 22.543 12.320 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.422 22.483 10.915 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.891 20.351 12.974 1.00 33.51 H new ATOM 0 HG3 PRO A 74 24.021 20.192 11.233 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.087 19.578 12.941 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.348 20.089 11.286 1.00 1.34 H new ATOM 1159 N SER A 75 24.364 24.130 14.430 1.00 34.34 N ATOM 1160 CA SER A 75 23.970 24.556 15.765 1.00 31.40 C ATOM 1161 C SER A 75 22.534 24.141 16.077 1.00 52.02 C ATOM 1162 O SER A 75 21.680 24.149 15.195 1.00 0.30 O ATOM 1163 CB SER A 75 24.118 26.075 15.879 1.00 31.21 C ATOM 1164 OG SER A 75 25.442 26.476 15.573 1.00 22.13 O ATOM 0 H SER A 75 24.072 24.760 13.683 1.00 34.34 H new ATOM 0 HA SER A 75 24.622 24.069 16.491 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.419 26.565 15.201 1.00 31.21 H new ATOM 0 HB3 SER A 75 23.860 26.395 16.889 1.00 31.21 H new ATOM 0 HG SER A 75 25.515 27.450 15.650 1.00 22.13 H new ATOM 1170 N PRO A 76 22.250 23.775 17.341 1.00 45.34 N ATOM 1171 CA PRO A 76 20.903 23.379 17.774 1.00 5.21 C ATOM 1172 C PRO A 76 19.863 24.467 17.499 1.00 44.52 C ATOM 1173 O PRO A 76 18.756 24.181 17.044 1.00 51.42 O ATOM 1174 CB PRO A 76 21.053 23.147 19.284 1.00 72.21 C ATOM 1175 CG PRO A 76 22.348 23.784 19.661 1.00 41.55 C ATOM 1176 CD PRO A 76 23.221 23.701 18.443 1.00 65.15 C ATOM 0 HA PRO A 76 20.548 22.501 17.235 1.00 5.21 H new ATOM 0 HB2 PRO A 76 20.223 23.591 19.833 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.057 22.083 19.519 1.00 72.21 H new ATOM 0 HG2 PRO A 76 22.199 24.820 19.964 1.00 41.55 H new ATOM 0 HG3 PRO A 76 22.806 23.268 20.505 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.940 24.519 18.404 1.00 65.15 H new ATOM 0 HD3 PRO A 76 23.792 22.773 18.417 1.00 65.15 H new ATOM 1184 N GLU A 77 20.239 25.715 17.773 1.00 41.22 N ATOM 1185 CA GLU A 77 19.378 26.866 17.500 1.00 22.44 C ATOM 1186 C GLU A 77 19.043 26.950 16.012 1.00 43.15 C ATOM 1187 O GLU A 77 17.908 27.231 15.629 1.00 12.42 O ATOM 1188 CB GLU A 77 20.076 28.149 17.954 1.00 61.33 C ATOM 1189 CG GLU A 77 21.488 28.270 17.418 1.00 22.41 C ATOM 1190 CD GLU A 77 22.160 29.568 17.796 1.00 43.51 C ATOM 1191 OE1 GLU A 77 22.754 29.633 18.891 1.00 3.44 O ATOM 1192 OE2 GLU A 77 22.115 30.518 16.991 1.00 23.01 O ATOM 0 H GLU A 77 21.140 25.956 18.186 1.00 41.22 H new ATOM 0 HA GLU A 77 18.447 26.745 18.053 1.00 22.44 H new ATOM 0 HB2 GLU A 77 19.493 29.010 17.627 1.00 61.33 H new ATOM 0 HB3 GLU A 77 20.102 28.177 19.043 1.00 61.33 H new ATOM 0 HG2 GLU A 77 22.084 27.438 17.792 1.00 22.41 H new ATOM 0 HG3 GLU A 77 21.466 28.183 16.332 1.00 22.41 H new ATOM 1199 N ASP A 78 20.047 26.689 15.188 1.00 64.10 N ATOM 1200 CA ASP A 78 19.910 26.696 13.735 1.00 20.24 C ATOM 1201 C ASP A 78 18.978 25.569 13.288 1.00 23.41 C ATOM 1202 O ASP A 78 17.992 25.793 12.576 1.00 70.25 O ATOM 1203 CB ASP A 78 21.309 26.551 13.121 1.00 74.32 C ATOM 1204 CG ASP A 78 21.313 26.196 11.653 1.00 33.44 C ATOM 1205 OD1 ASP A 78 20.797 26.990 10.845 1.00 35.31 O ATOM 1206 OD2 ASP A 78 21.868 25.128 11.312 1.00 54.10 O ATOM 0 H ASP A 78 20.989 26.464 15.510 1.00 64.10 H new ATOM 0 HA ASP A 78 19.467 27.632 13.396 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.851 27.487 13.257 1.00 74.32 H new ATOM 0 HB3 ASP A 78 21.855 25.783 13.669 1.00 74.32 H new ATOM 1211 N VAL A 79 19.280 24.370 13.768 1.00 70.42 N ATOM 1212 CA VAL A 79 18.470 23.187 13.503 1.00 65.40 C ATOM 1213 C VAL A 79 17.004 23.414 13.886 1.00 5.45 C ATOM 1214 O VAL A 79 16.092 23.112 13.111 1.00 24.20 O ATOM 1215 CB VAL A 79 19.035 21.974 14.277 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.104 20.776 14.203 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.413 21.611 13.749 1.00 2.33 C ATOM 0 H VAL A 79 20.095 24.189 14.354 1.00 70.42 H new ATOM 0 HA VAL A 79 18.511 22.986 12.432 1.00 65.40 H new ATOM 0 HB VAL A 79 19.119 22.258 15.326 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.536 19.944 14.759 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.138 21.038 14.635 1.00 25.41 H new ATOM 0 HG13 VAL A 79 17.968 20.485 13.162 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.801 20.755 14.302 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.342 21.358 12.691 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.086 22.459 13.875 1.00 2.33 H new ATOM 1227 N GLU A 80 16.779 23.966 15.073 1.00 62.32 N ATOM 1228 CA GLU A 80 15.428 24.193 15.559 1.00 15.51 C ATOM 1229 C GLU A 80 14.729 25.288 14.755 1.00 42.51 C ATOM 1230 O GLU A 80 13.510 25.257 14.575 1.00 73.11 O ATOM 1231 CB GLU A 80 15.448 24.546 17.048 1.00 72.14 C ATOM 1232 CG GLU A 80 14.063 24.681 17.657 1.00 41.52 C ATOM 1233 CD GLU A 80 14.078 24.561 19.163 1.00 51.12 C ATOM 1234 OE1 GLU A 80 14.096 23.416 19.665 1.00 11.14 O ATOM 1235 OE2 GLU A 80 14.065 25.599 19.851 1.00 23.22 O ATOM 0 H GLU A 80 17.515 24.263 15.714 1.00 62.32 H new ATOM 0 HA GLU A 80 14.863 23.270 15.428 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.000 23.777 17.588 1.00 72.14 H new ATOM 0 HB3 GLU A 80 15.989 25.482 17.184 1.00 72.14 H new ATOM 0 HG2 GLU A 80 13.639 25.645 17.377 1.00 41.52 H new ATOM 0 HG3 GLU A 80 13.411 23.913 17.241 1.00 41.52 H new ATOM 1242 N ARG A 81 15.501 26.246 14.256 1.00 50.40 N ATOM 1243 CA ARG A 81 14.943 27.304 13.427 1.00 73.35 C ATOM 1244 C ARG A 81 14.413 26.747 12.116 1.00 24.52 C ATOM 1245 O ARG A 81 13.255 26.995 11.754 1.00 72.03 O ATOM 1246 CB ARG A 81 15.973 28.406 13.167 1.00 51.11 C ATOM 1247 CG ARG A 81 15.913 29.521 14.196 1.00 33.12 C ATOM 1248 CD ARG A 81 14.527 30.143 14.227 1.00 12.04 C ATOM 1249 NE ARG A 81 14.388 31.176 15.248 1.00 54.21 N ATOM 1250 CZ ARG A 81 13.214 31.622 15.688 1.00 1.12 C ATOM 1251 NH1 ARG A 81 12.091 31.096 15.218 1.00 25.34 N ATOM 1252 NH2 ARG A 81 13.164 32.589 16.591 1.00 65.00 N ATOM 0 H ARG A 81 16.507 26.311 14.410 1.00 50.40 H new ATOM 0 HA ARG A 81 14.109 27.744 13.973 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.972 27.971 13.167 1.00 51.11 H new ATOM 0 HB3 ARG A 81 15.808 28.825 12.174 1.00 51.11 H new ATOM 0 HG2 ARG A 81 16.164 29.128 15.181 1.00 33.12 H new ATOM 0 HG3 ARG A 81 16.655 30.283 13.958 1.00 33.12 H new ATOM 0 HD2 ARG A 81 14.306 30.573 13.250 1.00 12.04 H new ATOM 0 HD3 ARG A 81 13.788 29.362 14.406 1.00 12.04 H new ATOM 0 HE ARG A 81 15.237 31.578 15.646 1.00 54.21 H new ATOM 0 HH11 ARG A 81 12.129 30.352 14.521 1.00 25.34 H new ATOM 0 HH12 ARG A 81 11.189 31.436 15.553 1.00 25.34 H new ATOM 0 HH21 ARG A 81 14.027 32.995 16.952 1.00 65.00 H new ATOM 0 HH22 ARG A 81 12.262 32.928 16.926 1.00 65.00 H new ATOM 1266 N VAL A 82 15.239 25.975 11.415 1.00 32.54 N ATOM 1267 CA VAL A 82 14.801 25.372 10.165 1.00 71.44 C ATOM 1268 C VAL A 82 13.655 24.398 10.430 1.00 64.30 C ATOM 1269 O VAL A 82 12.757 24.245 9.605 1.00 33.50 O ATOM 1270 CB VAL A 82 15.950 24.655 9.413 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.105 23.205 9.853 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.733 24.742 7.912 1.00 23.43 C ATOM 0 H VAL A 82 16.198 25.756 11.686 1.00 32.54 H new ATOM 0 HA VAL A 82 14.457 26.181 9.520 1.00 71.44 H new ATOM 0 HB VAL A 82 16.878 25.167 9.667 1.00 10.34 H new ATOM 0 HG11 VAL A 82 16.922 22.742 9.299 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.324 23.170 10.920 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.180 22.664 9.655 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.548 24.234 7.396 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.787 24.266 7.653 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.708 25.788 7.608 1.00 23.43 H new ATOM 1282 N ARG A 83 13.692 23.753 11.599 1.00 12.43 N ATOM 1283 CA ARG A 83 12.612 22.877 12.034 1.00 22.25 C ATOM 1284 C ARG A 83 11.284 23.627 12.039 1.00 63.13 C ATOM 1285 O ARG A 83 10.329 23.220 11.383 1.00 31.24 O ATOM 1286 CB ARG A 83 12.910 22.327 13.434 1.00 63.22 C ATOM 1287 CG ARG A 83 11.710 21.675 14.102 1.00 61.31 C ATOM 1288 CD ARG A 83 11.976 21.373 15.568 1.00 74.43 C ATOM 1289 NE ARG A 83 10.733 21.125 16.298 1.00 41.44 N ATOM 1290 CZ ARG A 83 10.672 20.770 17.581 1.00 73.12 C ATOM 1291 NH1 ARG A 83 11.782 20.604 18.290 1.00 20.14 N ATOM 1292 NH2 ARG A 83 9.492 20.596 18.160 1.00 15.30 N ATOM 0 H ARG A 83 14.465 23.825 12.261 1.00 12.43 H new ATOM 0 HA ARG A 83 12.539 22.045 11.334 1.00 22.25 H new ATOM 0 HB2 ARG A 83 13.717 21.597 13.364 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.269 23.140 14.065 1.00 63.22 H new ATOM 0 HG2 ARG A 83 10.845 22.333 14.017 1.00 61.31 H new ATOM 0 HG3 ARG A 83 11.461 20.751 13.580 1.00 61.31 H new ATOM 0 HD2 ARG A 83 12.627 20.502 15.649 1.00 74.43 H new ATOM 0 HD3 ARG A 83 12.506 22.210 16.023 1.00 74.43 H new ATOM 0 HE ARG A 83 9.854 21.231 15.791 1.00 41.44 H new ATOM 0 HH11 ARG A 83 12.692 20.748 17.853 1.00 20.14 H new ATOM 0 HH12 ARG A 83 11.724 20.332 19.271 1.00 20.14 H new ATOM 0 HH21 ARG A 83 8.635 20.734 17.624 1.00 15.30 H new ATOM 0 HH22 ARG A 83 9.441 20.324 19.142 1.00 15.30 H new ATOM 1306 N ALA A 84 11.246 24.739 12.767 1.00 12.14 N ATOM 1307 CA ALA A 84 10.034 25.539 12.894 1.00 60.24 C ATOM 1308 C ALA A 84 9.552 26.037 11.537 1.00 70.42 C ATOM 1309 O ALA A 84 8.365 25.943 11.215 1.00 23.24 O ATOM 1310 CB ALA A 84 10.278 26.714 13.829 1.00 63.52 C ATOM 0 H ALA A 84 12.046 25.108 13.281 1.00 12.14 H new ATOM 0 HA ALA A 84 9.254 24.903 13.313 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.366 27.305 13.917 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.566 26.343 14.813 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.077 27.338 13.429 1.00 63.52 H new ATOM 1316 N ARG A 85 10.480 26.554 10.741 1.00 4.11 N ATOM 1317 CA ARG A 85 10.149 27.098 9.429 1.00 74.14 C ATOM 1318 C ARG A 85 9.609 26.018 8.490 1.00 31.20 C ATOM 1319 O ARG A 85 8.550 26.184 7.886 1.00 12.24 O ATOM 1320 CB ARG A 85 11.380 27.769 8.812 1.00 14.31 C ATOM 1321 CG ARG A 85 11.183 28.202 7.368 1.00 15.44 C ATOM 1322 CD ARG A 85 10.039 29.190 7.218 1.00 12.24 C ATOM 1323 NE ARG A 85 9.820 29.543 5.817 1.00 30.11 N ATOM 1324 CZ ARG A 85 8.912 30.425 5.401 1.00 74.23 C ATOM 1325 NH1 ARG A 85 8.068 30.971 6.263 1.00 74.02 N ATOM 1326 NH2 ARG A 85 8.825 30.728 4.110 1.00 62.23 N ATOM 0 H ARG A 85 11.470 26.608 10.981 1.00 4.11 H new ATOM 0 HA ARG A 85 9.363 27.841 9.565 1.00 74.14 H new ATOM 0 HB2 ARG A 85 11.645 28.641 9.410 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.222 27.079 8.863 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.103 28.654 6.997 1.00 15.44 H new ATOM 0 HG3 ARG A 85 10.987 27.325 6.751 1.00 15.44 H new ATOM 0 HD2 ARG A 85 9.128 28.760 7.633 1.00 12.24 H new ATOM 0 HD3 ARG A 85 10.256 30.091 7.792 1.00 12.24 H new ATOM 0 HE ARG A 85 10.399 29.085 5.113 1.00 30.11 H new ATOM 0 HH11 ARG A 85 8.111 30.717 7.250 1.00 74.02 H new ATOM 0 HH12 ARG A 85 7.375 31.646 5.940 1.00 74.02 H new ATOM 0 HH21 ARG A 85 9.453 30.286 3.439 1.00 62.23 H new ATOM 0 HH22 ARG A 85 8.130 31.403 3.790 1.00 62.23 H new ATOM 1340 N LEU A 86 10.337 24.918 8.368 1.00 63.41 N ATOM 1341 CA LEU A 86 9.974 23.860 7.431 1.00 3.23 C ATOM 1342 C LEU A 86 8.690 23.153 7.852 1.00 51.33 C ATOM 1343 O LEU A 86 7.864 22.815 7.006 1.00 11.12 O ATOM 1344 CB LEU A 86 11.119 22.850 7.289 1.00 64.25 C ATOM 1345 CG LEU A 86 12.146 23.160 6.187 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.568 22.846 4.817 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.591 24.613 6.243 1.00 3.31 C ATOM 0 H LEU A 86 11.184 24.733 8.906 1.00 63.41 H new ATOM 0 HA LEU A 86 9.794 24.326 6.462 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.644 22.786 8.242 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.690 21.867 7.095 1.00 64.25 H new ATOM 0 HG LEU A 86 13.018 22.528 6.358 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.308 23.071 4.049 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.304 21.790 4.767 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.677 23.451 4.651 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.317 24.802 5.452 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.727 25.264 6.106 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.048 24.816 7.211 1.00 3.31 H new ATOM 1359 N ALA A 87 8.514 22.968 9.158 1.00 64.31 N ATOM 1360 CA ALA A 87 7.339 22.272 9.692 1.00 55.30 C ATOM 1361 C ALA A 87 6.043 22.983 9.315 1.00 40.51 C ATOM 1362 O ALA A 87 4.976 22.368 9.276 1.00 60.31 O ATOM 1363 CB ALA A 87 7.440 22.130 11.202 1.00 2.20 C ATOM 0 H ALA A 87 9.170 23.290 9.870 1.00 64.31 H new ATOM 0 HA ALA A 87 7.318 21.279 9.244 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.558 21.611 11.578 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.333 21.559 11.455 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.501 23.119 11.657 1.00 2.20 H new ATOM 1369 N ALA A 88 6.133 24.282 9.049 1.00 12.20 N ATOM 1370 CA ALA A 88 4.967 25.071 8.672 1.00 35.54 C ATOM 1371 C ALA A 88 4.447 24.656 7.298 1.00 70.35 C ATOM 1372 O ALA A 88 3.257 24.770 7.009 1.00 34.21 O ATOM 1373 CB ALA A 88 5.306 26.554 8.688 1.00 1.20 C ATOM 0 H ALA A 88 7.004 24.811 9.088 1.00 12.20 H new ATOM 0 HA ALA A 88 4.179 24.884 9.401 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.426 27.131 8.404 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.623 26.844 9.690 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.112 26.751 7.981 1.00 1.20 H new ATOM 1379 N GLN A 89 5.345 24.164 6.457 1.00 43.22 N ATOM 1380 CA GLN A 89 4.985 23.730 5.114 1.00 34.15 C ATOM 1381 C GLN A 89 4.740 22.224 5.086 1.00 43.51 C ATOM 1382 O GLN A 89 4.168 21.693 4.134 1.00 25.11 O ATOM 1383 CB GLN A 89 6.083 24.109 4.113 1.00 71.20 C ATOM 1384 CG GLN A 89 6.044 25.564 3.648 1.00 64.44 C ATOM 1385 CD GLN A 89 6.128 26.572 4.781 1.00 71.20 C ATOM 1386 OE1 GLN A 89 5.109 27.017 5.311 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.338 26.945 5.160 1.00 62.23 N ATOM 0 H GLN A 89 6.334 24.055 6.682 1.00 43.22 H new ATOM 0 HA GLN A 89 4.064 24.237 4.826 1.00 34.15 H new ATOM 0 HB2 GLN A 89 7.054 23.912 4.567 1.00 71.20 H new ATOM 0 HB3 GLN A 89 6.001 23.460 3.241 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.870 25.737 2.958 1.00 64.44 H new ATOM 0 HG3 GLN A 89 5.122 25.733 3.091 1.00 64.44 H new ATOM 0 HE21 GLN A 89 8.160 26.555 4.698 1.00 62.23 H new ATOM 0 HE22 GLN A 89 7.450 27.622 5.914 1.00 62.23 H new ATOM 1396 N GLY A 90 5.176 21.549 6.139 1.00 41.15 N ATOM 1397 CA GLY A 90 5.006 20.113 6.242 1.00 31.11 C ATOM 1398 C GLY A 90 6.141 19.482 7.014 1.00 31.14 C ATOM 1399 O GLY A 90 7.164 20.125 7.244 1.00 41.14 O ATOM 0 H GLY A 90 5.651 21.976 6.934 1.00 41.15 H new ATOM 0 HA2 GLY A 90 4.060 19.891 6.735 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.955 19.678 5.244 1.00 31.11 H new ATOM 1403 N TRP A 91 5.979 18.235 7.430 1.00 1.05 N ATOM 1404 CA TRP A 91 7.031 17.558 8.171 1.00 21.13 C ATOM 1405 C TRP A 91 6.926 16.045 8.006 1.00 24.15 C ATOM 1406 O TRP A 91 6.213 15.372 8.750 1.00 54.32 O ATOM 1407 CB TRP A 91 6.971 17.937 9.654 1.00 54.31 C ATOM 1408 CG TRP A 91 8.236 17.627 10.395 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.488 16.541 11.181 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.427 18.420 10.411 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.761 16.611 11.688 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.360 17.757 11.229 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.796 19.630 9.814 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.635 18.263 11.465 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 11.062 20.128 10.046 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.968 19.445 10.866 1.00 15.43 C ATOM 0 H TRP A 91 5.140 17.677 7.270 1.00 1.05 H new ATOM 0 HA TRP A 91 7.991 17.880 7.767 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.758 19.002 9.742 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.143 17.407 10.124 1.00 54.31 H new ATOM 0 HD1 TRP A 91 7.788 15.742 11.376 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.192 15.923 12.306 1.00 72.51 H new ATOM 0 HE3 TRP A 91 9.102 20.165 9.183 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.336 17.740 12.099 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 11.359 21.060 9.587 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.951 19.861 11.029 1.00 15.43 H new ATOM 1427 N PRO A 92 7.627 15.492 7.007 1.00 64.14 N ATOM 1428 CA PRO A 92 7.655 14.053 6.767 1.00 60.55 C ATOM 1429 C PRO A 92 8.675 13.342 7.651 1.00 0.42 C ATOM 1430 O PRO A 92 8.851 12.128 7.563 1.00 12.41 O ATOM 1431 CB PRO A 92 8.057 13.960 5.297 1.00 45.11 C ATOM 1432 CG PRO A 92 8.900 15.168 5.054 1.00 23.52 C ATOM 1433 CD PRO A 92 8.427 16.232 6.014 1.00 20.11 C ATOM 0 HA PRO A 92 6.703 13.574 6.995 1.00 60.55 H new ATOM 0 HB2 PRO A 92 8.612 13.044 5.096 1.00 45.11 H new ATOM 0 HB3 PRO A 92 7.182 13.951 4.647 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.954 14.942 5.216 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.801 15.507 4.023 1.00 23.52 H new ATOM 0 HD2 PRO A 92 9.266 16.747 6.482 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.830 16.990 5.506 1.00 20.11 H new ATOM 1441 N LEU A 93 9.345 14.105 8.508 1.00 21.21 N ATOM 1442 CA LEU A 93 10.339 13.541 9.411 1.00 44.02 C ATOM 1443 C LEU A 93 9.667 13.030 10.677 1.00 73.14 C ATOM 1444 O LEU A 93 9.895 13.537 11.779 1.00 62.40 O ATOM 1445 CB LEU A 93 11.416 14.575 9.759 1.00 23.12 C ATOM 1446 CG LEU A 93 12.160 15.170 8.564 1.00 64.11 C ATOM 1447 CD1 LEU A 93 13.263 16.102 9.032 1.00 64.22 C ATOM 1448 CD2 LEU A 93 12.731 14.069 7.685 1.00 63.12 C ATOM 0 H LEU A 93 9.218 15.113 8.596 1.00 21.21 H new ATOM 0 HA LEU A 93 10.824 12.706 8.906 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.950 15.387 10.317 1.00 23.12 H new ATOM 0 HB3 LEU A 93 12.143 14.108 10.423 1.00 23.12 H new ATOM 0 HG LEU A 93 11.449 15.747 7.973 1.00 64.11 H new ATOM 0 HD11 LEU A 93 13.781 16.516 8.167 1.00 64.22 H new ATOM 0 HD12 LEU A 93 12.830 16.913 9.618 1.00 64.22 H new ATOM 0 HD13 LEU A 93 13.971 15.547 9.648 1.00 64.22 H new ATOM 0 HD21 LEU A 93 13.257 14.514 6.840 1.00 63.12 H new ATOM 0 HD22 LEU A 93 13.426 13.463 8.266 1.00 63.12 H new ATOM 0 HD23 LEU A 93 11.920 13.440 7.317 1.00 63.12 H new ATOM 1460 N ASP A 94 8.811 12.041 10.500 1.00 75.24 N ATOM 1461 CA ASP A 94 8.108 11.417 11.608 1.00 4.40 C ATOM 1462 C ASP A 94 8.338 9.916 11.563 1.00 41.41 C ATOM 1463 O ASP A 94 7.937 9.246 10.607 1.00 14.45 O ATOM 1464 CB ASP A 94 6.616 11.733 11.540 1.00 63.34 C ATOM 1465 CG ASP A 94 5.846 11.109 12.682 1.00 62.41 C ATOM 1466 OD1 ASP A 94 5.906 11.649 13.805 1.00 74.41 O ATOM 1467 OD2 ASP A 94 5.175 10.079 12.457 1.00 43.30 O ATOM 0 H ASP A 94 8.583 11.648 9.587 1.00 75.24 H new ATOM 0 HA ASP A 94 8.492 11.812 12.548 1.00 4.40 H new ATOM 0 HB2 ASP A 94 6.474 12.814 11.557 1.00 63.34 H new ATOM 0 HB3 ASP A 94 6.213 11.373 10.593 1.00 63.34 H new ATOM 1472 N ASP A 95 8.993 9.394 12.587 1.00 73.02 N ATOM 1473 CA ASP A 95 9.437 8.010 12.567 1.00 2.34 C ATOM 1474 C ASP A 95 8.403 7.075 13.166 1.00 51.34 C ATOM 1475 O ASP A 95 7.691 7.418 14.112 1.00 12.12 O ATOM 1476 CB ASP A 95 10.757 7.856 13.317 1.00 41.44 C ATOM 1477 CG ASP A 95 11.434 6.532 13.034 1.00 74.21 C ATOM 1478 OD1 ASP A 95 11.912 6.337 11.897 1.00 54.30 O ATOM 1479 OD2 ASP A 95 11.498 5.680 13.944 1.00 34.21 O ATOM 0 H ASP A 95 9.228 9.904 13.438 1.00 73.02 H new ATOM 0 HA ASP A 95 9.579 7.737 11.521 1.00 2.34 H new ATOM 0 HB2 ASP A 95 11.427 8.670 13.038 1.00 41.44 H new ATOM 0 HB3 ASP A 95 10.575 7.946 14.388 1.00 41.44 H new ATOM 1484 N VAL A 96 8.342 5.889 12.598 1.00 71.32 N ATOM 1485 CA VAL A 96 7.434 4.846 13.043 1.00 22.53 C ATOM 1486 C VAL A 96 8.201 3.533 13.145 1.00 14.41 C ATOM 1487 O VAL A 96 8.912 3.151 12.215 1.00 35.44 O ATOM 1488 CB VAL A 96 6.238 4.671 12.075 1.00 52.40 C ATOM 1489 CG1 VAL A 96 5.285 3.595 12.576 1.00 14.32 C ATOM 1490 CG2 VAL A 96 5.497 5.986 11.882 1.00 21.21 C ATOM 0 H VAL A 96 8.926 5.617 11.807 1.00 71.32 H new ATOM 0 HA VAL A 96 7.034 5.134 14.015 1.00 22.53 H new ATOM 0 HB VAL A 96 6.635 4.356 11.110 1.00 52.40 H new ATOM 0 HG11 VAL A 96 4.454 3.492 11.878 1.00 14.32 H new ATOM 0 HG12 VAL A 96 5.815 2.646 12.652 1.00 14.32 H new ATOM 0 HG13 VAL A 96 4.902 3.876 13.557 1.00 14.32 H new ATOM 0 HG21 VAL A 96 4.662 5.836 11.198 1.00 21.21 H new ATOM 0 HG22 VAL A 96 5.121 6.336 12.843 1.00 21.21 H new ATOM 0 HG23 VAL A 96 6.177 6.729 11.466 1.00 21.21 H new ATOM 1500 N ARG A 97 8.080 2.860 14.277 1.00 41.12 N ATOM 1501 CA ARG A 97 8.815 1.626 14.501 1.00 64.31 C ATOM 1502 C ARG A 97 7.962 0.418 14.131 1.00 4.21 C ATOM 1503 O ARG A 97 6.750 0.534 13.940 1.00 42.12 O ATOM 1504 CB ARG A 97 9.261 1.521 15.961 1.00 63.00 C ATOM 1505 CG ARG A 97 8.152 1.117 16.920 1.00 70.22 C ATOM 1506 CD ARG A 97 8.677 0.997 18.337 1.00 74.05 C ATOM 1507 NE ARG A 97 7.815 0.172 19.180 1.00 74.14 N ATOM 1508 CZ ARG A 97 8.269 -0.561 20.195 1.00 21.31 C ATOM 1509 NH1 ARG A 97 9.553 -0.501 20.531 1.00 42.30 N ATOM 1510 NH2 ARG A 97 7.444 -1.337 20.883 1.00 4.22 N ATOM 0 H ARG A 97 7.482 3.146 15.053 1.00 41.12 H new ATOM 0 HA ARG A 97 9.699 1.640 13.864 1.00 64.31 H new ATOM 0 HB2 ARG A 97 10.070 0.794 16.031 1.00 63.00 H new ATOM 0 HB3 ARG A 97 9.667 2.482 16.276 1.00 63.00 H new ATOM 0 HG2 ARG A 97 7.350 1.855 16.886 1.00 70.22 H new ATOM 0 HG3 ARG A 97 7.723 0.166 16.605 1.00 70.22 H new ATOM 0 HD2 ARG A 97 9.679 0.568 18.316 1.00 74.05 H new ATOM 0 HD3 ARG A 97 8.765 1.991 18.775 1.00 74.05 H new ATOM 0 HE ARG A 97 6.815 0.157 18.981 1.00 74.14 H new ATOM 0 HH11 ARG A 97 10.188 0.105 20.012 1.00 42.30 H new ATOM 0 HH12 ARG A 97 9.904 -1.061 21.308 1.00 42.30 H new ATOM 0 HH21 ARG A 97 6.455 -1.375 20.636 1.00 4.22 H new ATOM 0 HH22 ARG A 97 7.798 -1.896 21.659 1.00 4.22 H new ATOM 1524 N ASP A 98 8.599 -0.739 14.039 1.00 14.21 N ATOM 1525 CA ASP A 98 7.902 -1.975 13.706 1.00 30.32 C ATOM 1526 C ASP A 98 7.362 -2.640 14.963 1.00 50.43 C ATOM 1527 O ASP A 98 7.919 -2.479 16.050 1.00 33.41 O ATOM 1528 CB ASP A 98 8.836 -2.954 12.992 1.00 32.43 C ATOM 1529 CG ASP A 98 9.423 -2.395 11.714 1.00 72.12 C ATOM 1530 OD1 ASP A 98 8.776 -2.517 10.653 1.00 71.52 O ATOM 1531 OD2 ASP A 98 10.545 -1.845 11.762 1.00 23.42 O ATOM 0 H ASP A 98 9.602 -0.850 14.191 1.00 14.21 H new ATOM 0 HA ASP A 98 7.076 -1.717 13.044 1.00 30.32 H new ATOM 0 HB2 ASP A 98 9.647 -3.230 13.666 1.00 32.43 H new ATOM 0 HB3 ASP A 98 8.287 -3.868 12.763 1.00 32.43 H new ATOM 1536 N ARG A 99 6.284 -3.389 14.809 1.00 40.24 N ATOM 1537 CA ARG A 99 5.732 -4.177 15.895 1.00 32.23 C ATOM 1538 C ARG A 99 5.482 -5.587 15.408 1.00 22.32 C ATOM 1539 O ARG A 99 4.336 -6.005 15.233 1.00 1.10 O ATOM 1540 CB ARG A 99 4.426 -3.585 16.428 1.00 64.42 C ATOM 1541 CG ARG A 99 4.601 -2.331 17.264 1.00 3.52 C ATOM 1542 CD ARG A 99 3.288 -1.928 17.914 1.00 23.24 C ATOM 1543 NE ARG A 99 2.738 -3.008 18.734 1.00 64.52 N ATOM 1544 CZ ARG A 99 1.475 -3.066 19.152 1.00 3.44 C ATOM 1545 NH1 ARG A 99 0.617 -2.099 18.845 1.00 14.30 N ATOM 1546 NH2 ARG A 99 1.068 -4.096 19.883 1.00 71.43 N ATOM 0 H ARG A 99 5.769 -3.467 13.932 1.00 40.24 H new ATOM 0 HA ARG A 99 6.454 -4.175 16.712 1.00 32.23 H new ATOM 0 HB2 ARG A 99 3.774 -3.357 15.585 1.00 64.42 H new ATOM 0 HB3 ARG A 99 3.918 -4.339 17.029 1.00 64.42 H new ATOM 0 HG2 ARG A 99 5.355 -2.503 18.032 1.00 3.52 H new ATOM 0 HG3 ARG A 99 4.966 -1.518 16.636 1.00 3.52 H new ATOM 0 HD2 ARG A 99 3.444 -1.044 18.533 1.00 23.24 H new ATOM 0 HD3 ARG A 99 2.569 -1.654 17.142 1.00 23.24 H new ATOM 0 HE ARG A 99 3.364 -3.767 19.003 1.00 64.52 H new ATOM 0 HH11 ARG A 99 0.924 -1.304 18.285 1.00 14.30 H new ATOM 0 HH12 ARG A 99 -0.349 -2.152 19.170 1.00 14.30 H new ATOM 0 HH21 ARG A 99 1.722 -4.841 20.123 1.00 71.43 H new ATOM 0 HH22 ARG A 99 0.101 -4.143 20.204 1.00 71.43 H new ATOM 1560 N GLU A 100 6.556 -6.307 15.138 1.00 14.13 N ATOM 1561 CA GLU A 100 6.429 -7.663 14.658 1.00 21.13 C ATOM 1562 C GLU A 100 6.291 -8.604 15.848 1.00 70.42 C ATOM 1563 O GLU A 100 7.256 -9.221 16.299 1.00 75.53 O ATOM 1564 CB GLU A 100 7.612 -8.045 13.767 1.00 10.32 C ATOM 1565 CG GLU A 100 7.392 -9.333 12.994 1.00 41.30 C ATOM 1566 CD GLU A 100 8.382 -9.507 11.865 1.00 40.11 C ATOM 1567 OE1 GLU A 100 8.148 -8.944 10.771 1.00 63.33 O ATOM 1568 OE2 GLU A 100 9.396 -10.206 12.058 1.00 2.33 O ATOM 0 H GLU A 100 7.515 -5.976 15.243 1.00 14.13 H new ATOM 0 HA GLU A 100 5.534 -7.746 14.041 1.00 21.13 H new ATOM 0 HB2 GLU A 100 7.804 -7.235 13.063 1.00 10.32 H new ATOM 0 HB3 GLU A 100 8.504 -8.148 14.385 1.00 10.32 H new ATOM 0 HG2 GLU A 100 7.471 -10.180 13.676 1.00 41.30 H new ATOM 0 HG3 GLU A 100 6.380 -9.342 12.590 1.00 41.30 H new ATOM 1575 N GLU A 101 5.082 -8.651 16.378 1.00 40.31 N ATOM 1576 CA GLU A 101 4.774 -9.425 17.566 1.00 43.23 C ATOM 1577 C GLU A 101 3.559 -10.302 17.300 1.00 61.40 C ATOM 1578 O GLU A 101 2.802 -10.045 16.362 1.00 65.34 O ATOM 1579 CB GLU A 101 4.508 -8.471 18.735 1.00 33.35 C ATOM 1580 CG GLU A 101 3.501 -7.380 18.402 1.00 52.03 C ATOM 1581 CD GLU A 101 3.382 -6.328 19.483 1.00 24.22 C ATOM 1582 OE1 GLU A 101 4.184 -5.368 19.477 1.00 41.45 O ATOM 1583 OE2 GLU A 101 2.470 -6.438 20.331 1.00 45.10 O ATOM 0 H GLU A 101 4.281 -8.150 15.993 1.00 40.31 H new ATOM 0 HA GLU A 101 5.616 -10.068 17.822 1.00 43.23 H new ATOM 0 HB2 GLU A 101 4.144 -9.044 19.588 1.00 33.35 H new ATOM 0 HB3 GLU A 101 5.447 -8.009 19.039 1.00 33.35 H new ATOM 0 HG2 GLU A 101 3.791 -6.900 17.467 1.00 52.03 H new ATOM 0 HG3 GLU A 101 2.524 -7.834 18.237 1.00 52.03 H new ATOM 1590 N HIS A 102 3.370 -11.333 18.110 1.00 21.45 N ATOM 1591 CA HIS A 102 2.242 -12.235 17.922 1.00 25.33 C ATOM 1592 C HIS A 102 1.902 -12.960 19.215 1.00 50.12 C ATOM 1593 O HIS A 102 2.787 -13.439 19.926 1.00 63.21 O ATOM 1594 CB HIS A 102 2.527 -13.253 16.803 1.00 45.51 C ATOM 1595 CG HIS A 102 3.610 -14.247 17.116 1.00 1.23 C ATOM 1596 ND1 HIS A 102 3.350 -15.513 17.594 1.00 23.13 N ATOM 1597 CD2 HIS A 102 4.957 -14.160 17.003 1.00 10.20 C ATOM 1598 CE1 HIS A 102 4.488 -16.158 17.763 1.00 13.04 C ATOM 1599 NE2 HIS A 102 5.480 -15.362 17.410 1.00 5.31 N ATOM 0 H HIS A 102 3.976 -11.565 18.897 1.00 21.45 H new ATOM 0 HA HIS A 102 1.384 -11.630 17.628 1.00 25.33 H new ATOM 0 HB2 HIS A 102 1.608 -13.796 16.582 1.00 45.51 H new ATOM 0 HB3 HIS A 102 2.802 -12.710 15.899 1.00 45.51 H new ATOM 0 HD2 HIS A 102 5.516 -13.303 16.657 1.00 10.20 H new ATOM 0 HE1 HIS A 102 4.591 -17.169 18.129 1.00 13.04 H new ATOM 0 HE2 HIS A 102 6.471 -15.601 17.435 1.00 5.31 H new ATOM 1608 N ALA A 103 0.621 -13.031 19.517 1.00 73.32 N ATOM 1609 CA ALA A 103 0.154 -13.767 20.674 1.00 31.42 C ATOM 1610 C ALA A 103 -0.629 -14.987 20.218 1.00 64.31 C ATOM 1611 O ALA A 103 -1.876 -14.943 20.233 1.00 52.35 O ATOM 1612 CB ALA A 103 -0.694 -12.876 21.569 1.00 51.41 C ATOM 1613 OXT ALA A 103 0.007 -15.976 19.806 1.00 0.00 O ATOM 0 H ALA A 103 -0.118 -12.585 18.974 1.00 73.32 H new ATOM 0 HA ALA A 103 1.012 -14.100 21.258 1.00 31.42 H new ATOM 0 HB1 ALA A 103 -1.035 -13.447 22.432 1.00 51.41 H new ATOM 0 HB2 ALA A 103 -0.099 -12.028 21.907 1.00 51.41 H new ATOM 0 HB3 ALA A 103 -1.557 -12.514 21.010 1.00 51.41 H new TER 1619 ALA A 103