USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= -0.415 USER MOD Set 1.2: A 69 ASN : amide:sc= -6.97! C(o=-7.4!,f=-7.5!) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.0916 (180deg=-0.499) USER MOD Single : A 1 MET N :NH3+ -127:sc= -2.39! (180deg=-5.45!) USER MOD Single : A 7 SER OG : rot 82:sc= -3.01! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 42:sc= 0.466 USER MOD Single : A 14 ASN : amide:sc= -0.744 X(o=-0.74,f=-0.94) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.71) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 46:sc= 0.34 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.097) USER MOD Single : A 35 SER OG : rot 61:sc= 0.364 USER MOD Single : A 36 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.13) USER MOD Single : A 37 SER OG : rot -160:sc= -0.475 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 153:sc= -1.85 USER MOD Single : A 48 SER OG : rot -160:sc= 0.0465 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -65:sc= -2.94! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.43 K(o=-3.4,f=-7.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 104:sc= 0.545 USER MOD Single : A 62 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.06) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 25:sc= 0.183 USER MOD Single : A 78 SER OG : rot 180:sc= -0.801 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 86 THR OG1 : rot 96:sc= 1.12 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.124 -1.587 -6.168 1.00 73.55 N ATOM 2 CA MET A 1 2.936 -2.743 -5.298 1.00 51.52 C ATOM 3 C MET A 1 4.049 -2.827 -4.259 1.00 2.22 C ATOM 4 O MET A 1 3.810 -2.778 -3.052 1.00 55.01 O ATOM 5 CB MET A 1 2.895 -4.029 -6.125 1.00 24.44 C ATOM 6 CG MET A 1 1.488 -4.547 -6.375 1.00 1.31 C ATOM 7 SD MET A 1 1.167 -6.116 -5.546 1.00 43.32 S ATOM 8 CE MET A 1 2.342 -7.183 -6.376 1.00 22.23 C ATOM 0 H1 MET A 1 2.254 -1.017 -6.181 1.00 73.55 H new ATOM 0 H2 MET A 1 3.912 -1.009 -5.812 1.00 73.55 H new ATOM 0 H3 MET A 1 3.340 -1.910 -7.133 1.00 73.55 H new ATOM 0 HA MET A 1 1.986 -2.625 -4.777 1.00 51.52 H new ATOM 0 HB2 MET A 1 3.383 -3.851 -7.083 1.00 24.44 H new ATOM 0 HB3 MET A 1 3.471 -4.799 -5.612 1.00 24.44 H new ATOM 0 HG2 MET A 1 0.766 -3.806 -6.033 1.00 1.31 H new ATOM 0 HG3 MET A 1 1.335 -4.669 -7.447 1.00 1.31 H new ATOM 0 HE1 MET A 1 1.986 -8.213 -6.341 1.00 22.23 H new ATOM 0 HE2 MET A 1 2.446 -6.871 -7.415 1.00 22.23 H new ATOM 0 HE3 MET A 1 3.309 -7.116 -5.878 1.00 22.23 H new ATOM 18 N PRO A 2 5.296 -2.957 -4.735 1.00 43.42 N ATOM 19 CA PRO A 2 6.471 -3.050 -3.863 1.00 70.12 C ATOM 20 C PRO A 2 6.774 -1.734 -3.155 1.00 74.01 C ATOM 21 O PRO A 2 6.334 -0.670 -3.589 1.00 1.41 O ATOM 22 CB PRO A 2 7.602 -3.410 -4.830 1.00 3.24 C ATOM 23 CG PRO A 2 7.153 -2.886 -6.150 1.00 63.31 C ATOM 24 CD PRO A 2 5.656 -3.022 -6.162 1.00 13.43 C ATOM 0 HA PRO A 2 6.328 -3.776 -3.063 1.00 70.12 H new ATOM 0 HB2 PRO A 2 8.544 -2.956 -4.524 1.00 3.24 H new ATOM 0 HB3 PRO A 2 7.764 -4.487 -4.866 1.00 3.24 H new ATOM 0 HG2 PRO A 2 7.451 -1.846 -6.279 1.00 63.31 H new ATOM 0 HG3 PRO A 2 7.603 -3.450 -6.967 1.00 63.31 H new ATOM 0 HD2 PRO A 2 5.184 -2.222 -6.732 1.00 13.43 H new ATOM 0 HD3 PRO A 2 5.342 -3.963 -6.613 1.00 13.43 H new ATOM 32 N ALA A 3 7.527 -1.814 -2.063 1.00 61.53 N ATOM 33 CA ALA A 3 7.890 -0.629 -1.297 1.00 23.12 C ATOM 34 C ALA A 3 9.310 -0.178 -1.624 1.00 13.45 C ATOM 35 O ALA A 3 9.925 -0.669 -2.569 1.00 62.01 O ATOM 36 CB ALA A 3 7.751 -0.901 0.194 1.00 71.23 C ATOM 0 H ALA A 3 7.897 -2.688 -1.689 1.00 61.53 H new ATOM 0 HA ALA A 3 7.208 0.175 -1.574 1.00 23.12 H new ATOM 0 HB1 ALA A 3 8.025 -0.007 0.754 1.00 71.23 H new ATOM 0 HB2 ALA A 3 6.719 -1.168 0.420 1.00 71.23 H new ATOM 0 HB3 ALA A 3 8.409 -1.723 0.477 1.00 71.23 H new ATOM 42 N ALA A 4 9.823 0.761 -0.836 1.00 2.34 N ATOM 43 CA ALA A 4 11.171 1.278 -1.041 1.00 33.12 C ATOM 44 C ALA A 4 12.084 0.908 0.123 1.00 33.41 C ATOM 45 O ALA A 4 11.647 0.846 1.273 1.00 12.32 O ATOM 46 CB ALA A 4 11.135 2.788 -1.226 1.00 74.43 C ATOM 0 H ALA A 4 9.326 1.179 -0.050 1.00 2.34 H new ATOM 0 HA ALA A 4 11.575 0.822 -1.945 1.00 33.12 H new ATOM 0 HB1 ALA A 4 12.148 3.160 -1.378 1.00 74.43 H new ATOM 0 HB2 ALA A 4 10.524 3.034 -2.095 1.00 74.43 H new ATOM 0 HB3 ALA A 4 10.707 3.253 -0.338 1.00 74.43 H new ATOM 52 N LEU A 5 13.353 0.661 -0.182 1.00 72.11 N ATOM 53 CA LEU A 5 14.328 0.296 0.839 1.00 23.33 C ATOM 54 C LEU A 5 14.390 1.353 1.937 1.00 53.33 C ATOM 55 O LEU A 5 13.702 2.373 1.870 1.00 24.54 O ATOM 56 CB LEU A 5 15.711 0.116 0.211 1.00 62.33 C ATOM 57 CG LEU A 5 16.053 -1.296 -0.267 1.00 73.11 C ATOM 58 CD1 LEU A 5 15.515 -1.529 -1.671 1.00 22.25 C ATOM 59 CD2 LEU A 5 17.557 -1.524 -0.225 1.00 73.03 C ATOM 0 H LEU A 5 13.731 0.707 -1.128 1.00 72.11 H new ATOM 0 HA LEU A 5 14.013 -0.647 1.286 1.00 23.33 H new ATOM 0 HB2 LEU A 5 15.794 0.795 -0.638 1.00 62.33 H new ATOM 0 HB3 LEU A 5 16.461 0.423 0.939 1.00 62.33 H new ATOM 0 HG LEU A 5 15.579 -2.011 0.405 1.00 73.11 H new ATOM 0 HD11 LEU A 5 15.768 -2.539 -1.995 1.00 22.25 H new ATOM 0 HD12 LEU A 5 14.432 -1.409 -1.670 1.00 22.25 H new ATOM 0 HD13 LEU A 5 15.960 -0.807 -2.356 1.00 22.25 H new ATOM 0 HD21 LEU A 5 17.782 -2.534 -0.568 1.00 73.03 H new ATOM 0 HD22 LEU A 5 18.053 -0.801 -0.873 1.00 73.03 H new ATOM 0 HD23 LEU A 5 17.915 -1.400 0.797 1.00 73.03 H new ATOM 71 N VAL A 6 15.219 1.105 2.945 1.00 22.13 N ATOM 72 CA VAL A 6 15.373 2.037 4.056 1.00 44.13 C ATOM 73 C VAL A 6 16.838 2.180 4.454 1.00 60.10 C ATOM 74 O VAL A 6 17.470 3.200 4.179 1.00 30.05 O ATOM 75 CB VAL A 6 14.560 1.586 5.284 1.00 44.52 C ATOM 76 CG1 VAL A 6 14.770 2.546 6.445 1.00 43.51 C ATOM 77 CG2 VAL A 6 13.084 1.475 4.933 1.00 3.24 C ATOM 0 H VAL A 6 15.795 0.266 3.016 1.00 22.13 H new ATOM 0 HA VAL A 6 14.996 3.001 3.715 1.00 44.13 H new ATOM 0 HB VAL A 6 14.912 0.601 5.590 1.00 44.52 H new ATOM 0 HG11 VAL A 6 14.188 2.211 7.304 1.00 43.51 H new ATOM 0 HG12 VAL A 6 15.827 2.570 6.710 1.00 43.51 H new ATOM 0 HG13 VAL A 6 14.446 3.545 6.154 1.00 43.51 H new ATOM 0 HG21 VAL A 6 12.524 1.155 5.812 1.00 3.24 H new ATOM 0 HG22 VAL A 6 12.715 2.445 4.601 1.00 3.24 H new ATOM 0 HG23 VAL A 6 12.954 0.745 4.134 1.00 3.24 H new ATOM 87 N SER A 7 17.372 1.150 5.103 1.00 44.14 N ATOM 88 CA SER A 7 18.763 1.162 5.542 1.00 33.31 C ATOM 89 C SER A 7 19.121 -0.144 6.246 1.00 50.33 C ATOM 90 O SER A 7 18.291 -1.045 6.365 1.00 73.32 O ATOM 91 CB SER A 7 19.014 2.345 6.479 1.00 34.21 C ATOM 92 OG SER A 7 17.795 2.858 6.990 1.00 25.21 O ATOM 0 H SER A 7 16.863 0.297 5.336 1.00 44.14 H new ATOM 0 HA SER A 7 19.396 1.265 4.661 1.00 33.31 H new ATOM 0 HB2 SER A 7 19.654 2.031 7.303 1.00 34.21 H new ATOM 0 HB3 SER A 7 19.547 3.131 5.943 1.00 34.21 H new ATOM 0 HG SER A 7 17.504 2.313 7.750 1.00 25.21 H new ATOM 98 N ILE A 8 20.363 -0.237 6.710 1.00 55.13 N ATOM 99 CA ILE A 8 20.831 -1.431 7.402 1.00 0.23 C ATOM 100 C ILE A 8 21.663 -1.065 8.627 1.00 70.12 C ATOM 101 O ILE A 8 22.253 0.013 8.690 1.00 50.44 O ATOM 102 CB ILE A 8 21.671 -2.327 6.474 1.00 65.13 C ATOM 103 CG1 ILE A 8 23.001 -1.648 6.139 1.00 11.51 C ATOM 104 CG2 ILE A 8 20.898 -2.645 5.203 1.00 63.24 C ATOM 105 CD1 ILE A 8 24.192 -2.280 6.824 1.00 61.44 C ATOM 0 H ILE A 8 21.062 0.500 6.619 1.00 55.13 H new ATOM 0 HA ILE A 8 19.944 -1.981 7.718 1.00 0.23 H new ATOM 0 HB ILE A 8 21.883 -3.263 6.991 1.00 65.13 H new ATOM 0 HG12 ILE A 8 23.154 -1.679 5.060 1.00 11.51 H new ATOM 0 HG13 ILE A 8 22.945 -0.597 6.423 1.00 11.51 H new ATOM 0 HG21 ILE A 8 21.505 -3.279 4.557 1.00 63.24 H new ATOM 0 HG22 ILE A 8 19.975 -3.165 5.459 1.00 63.24 H new ATOM 0 HG23 ILE A 8 20.659 -1.718 4.681 1.00 63.24 H new ATOM 0 HD11 ILE A 8 25.100 -1.747 6.540 1.00 61.44 H new ATOM 0 HD12 ILE A 8 24.062 -2.225 7.905 1.00 61.44 H new ATOM 0 HD13 ILE A 8 24.274 -3.324 6.521 1.00 61.44 H new ATOM 117 N SER A 9 21.707 -1.972 9.598 1.00 51.41 N ATOM 118 CA SER A 9 22.465 -1.744 10.822 1.00 23.04 C ATOM 119 C SER A 9 23.679 -2.666 10.889 1.00 43.32 C ATOM 120 O SER A 9 23.544 -3.879 11.051 1.00 4.41 O ATOM 121 CB SER A 9 21.575 -1.965 12.047 1.00 24.01 C ATOM 122 OG SER A 9 21.380 -0.756 12.760 1.00 32.22 O ATOM 0 H SER A 9 21.227 -2.871 9.560 1.00 51.41 H new ATOM 0 HA SER A 9 22.814 -0.711 10.817 1.00 23.04 H new ATOM 0 HB2 SER A 9 20.611 -2.365 11.733 1.00 24.01 H new ATOM 0 HB3 SER A 9 22.030 -2.708 12.702 1.00 24.01 H new ATOM 0 HG SER A 9 20.807 -0.923 13.537 1.00 32.22 H new ATOM 128 N VAL A 10 24.866 -2.081 10.762 1.00 42.22 N ATOM 129 CA VAL A 10 26.105 -2.848 10.808 1.00 3.32 C ATOM 130 C VAL A 10 26.759 -2.753 12.182 1.00 31.43 C ATOM 131 O VAL A 10 26.866 -1.670 12.757 1.00 22.10 O ATOM 132 CB VAL A 10 27.106 -2.363 9.742 1.00 75.12 C ATOM 133 CG1 VAL A 10 27.563 -0.944 10.044 1.00 21.32 C ATOM 134 CG2 VAL A 10 28.294 -3.309 9.658 1.00 40.12 C ATOM 0 H VAL A 10 24.995 -1.078 10.626 1.00 42.22 H new ATOM 0 HA VAL A 10 25.842 -3.886 10.604 1.00 3.32 H new ATOM 0 HB VAL A 10 26.605 -2.359 8.774 1.00 75.12 H new ATOM 0 HG11 VAL A 10 28.270 -0.619 9.280 1.00 21.32 H new ATOM 0 HG12 VAL A 10 26.701 -0.277 10.048 1.00 21.32 H new ATOM 0 HG13 VAL A 10 28.047 -0.918 11.020 1.00 21.32 H new ATOM 0 HG21 VAL A 10 28.991 -2.951 8.900 1.00 40.12 H new ATOM 0 HG22 VAL A 10 28.797 -3.348 10.624 1.00 40.12 H new ATOM 0 HG23 VAL A 10 27.946 -4.307 9.389 1.00 40.12 H new ATOM 144 N SER A 11 27.195 -3.896 12.704 1.00 52.41 N ATOM 145 CA SER A 11 27.836 -3.943 14.013 1.00 55.11 C ATOM 146 C SER A 11 29.284 -4.405 13.892 1.00 25.11 C ATOM 147 O SER A 11 29.649 -5.505 14.308 1.00 12.05 O ATOM 148 CB SER A 11 27.066 -4.879 14.947 1.00 0.43 C ATOM 149 OG SER A 11 25.668 -4.762 14.748 1.00 51.12 O ATOM 0 H SER A 11 27.116 -4.801 12.240 1.00 52.41 H new ATOM 0 HA SER A 11 27.828 -2.936 14.431 1.00 55.11 H new ATOM 0 HB2 SER A 11 27.376 -5.909 14.771 1.00 0.43 H new ATOM 0 HB3 SER A 11 27.310 -4.645 15.983 1.00 0.43 H new ATOM 0 HG SER A 11 25.199 -5.371 15.355 1.00 51.12 H new ATOM 155 N PRO A 12 30.132 -3.545 13.308 1.00 21.31 N ATOM 156 CA PRO A 12 31.555 -3.842 13.119 1.00 62.04 C ATOM 157 C PRO A 12 32.324 -3.858 14.435 1.00 22.22 C ATOM 158 O PRO A 12 31.919 -3.226 15.411 1.00 32.45 O ATOM 159 CB PRO A 12 32.041 -2.695 12.229 1.00 4.13 C ATOM 160 CG PRO A 12 31.097 -1.576 12.504 1.00 2.15 C ATOM 161 CD PRO A 12 29.767 -2.217 12.788 1.00 12.11 C ATOM 0 HA PRO A 12 31.711 -4.831 12.687 1.00 62.04 H new ATOM 0 HB2 PRO A 12 33.067 -2.415 12.469 1.00 4.13 H new ATOM 0 HB3 PRO A 12 32.025 -2.977 11.176 1.00 4.13 H new ATOM 0 HG2 PRO A 12 31.433 -0.982 13.354 1.00 2.15 H new ATOM 0 HG3 PRO A 12 31.031 -0.902 11.650 1.00 2.15 H new ATOM 0 HD2 PRO A 12 29.192 -1.644 13.516 1.00 12.11 H new ATOM 0 HD3 PRO A 12 29.157 -2.292 11.888 1.00 12.11 H new ATOM 169 N THR A 13 33.438 -4.584 14.456 1.00 33.31 N ATOM 170 CA THR A 13 34.263 -4.683 15.653 1.00 23.20 C ATOM 171 C THR A 13 35.644 -4.081 15.420 1.00 40.41 C ATOM 172 O THR A 13 36.433 -4.600 14.632 1.00 23.44 O ATOM 173 CB THR A 13 34.424 -6.147 16.105 1.00 2.12 C ATOM 174 OG1 THR A 13 34.936 -6.939 15.028 1.00 70.12 O ATOM 175 CG2 THR A 13 33.094 -6.718 16.574 1.00 42.31 C ATOM 0 H THR A 13 33.789 -5.112 13.657 1.00 33.31 H new ATOM 0 HA THR A 13 33.752 -4.123 16.436 1.00 23.20 H new ATOM 0 HB THR A 13 35.126 -6.172 16.939 1.00 2.12 H new ATOM 0 HG1 THR A 13 35.640 -6.442 14.562 1.00 70.12 H new ATOM 0 HG21 THR A 13 33.233 -7.752 16.888 1.00 42.31 H new ATOM 0 HG22 THR A 13 32.722 -6.131 17.413 1.00 42.31 H new ATOM 0 HG23 THR A 13 32.374 -6.680 15.757 1.00 42.31 H new ATOM 183 N ASN A 14 35.929 -2.981 16.111 1.00 62.54 N ATOM 184 CA ASN A 14 37.216 -2.308 15.978 1.00 20.13 C ATOM 185 C ASN A 14 38.170 -2.735 17.089 1.00 24.43 C ATOM 186 O ASN A 14 38.041 -2.301 18.234 1.00 44.13 O ATOM 187 CB ASN A 14 37.026 -0.790 16.009 1.00 24.25 C ATOM 188 CG ASN A 14 36.125 -0.343 17.144 1.00 32.31 C ATOM 189 OD1 ASN A 14 36.591 -0.060 18.247 1.00 3.35 O ATOM 190 ND2 ASN A 14 34.826 -0.279 16.877 1.00 54.11 N ATOM 0 H ASN A 14 35.287 -2.538 16.768 1.00 62.54 H new ATOM 0 HA ASN A 14 37.651 -2.594 15.020 1.00 20.13 H new ATOM 0 HB2 ASN A 14 37.998 -0.307 16.109 1.00 24.25 H new ATOM 0 HB3 ASN A 14 36.602 -0.460 15.061 1.00 24.25 H new ATOM 0 HD21 ASN A 14 34.170 0.014 17.601 1.00 54.11 H new ATOM 0 HD22 ASN A 14 34.484 -0.523 15.948 1.00 54.11 H new ATOM 197 N SER A 15 39.129 -3.589 16.743 1.00 75.10 N ATOM 198 CA SER A 15 40.103 -4.078 17.711 1.00 22.11 C ATOM 199 C SER A 15 41.290 -4.729 17.006 1.00 14.33 C ATOM 200 O SER A 15 41.436 -4.627 15.788 1.00 50.12 O ATOM 201 CB SER A 15 39.449 -5.081 18.663 1.00 13.24 C ATOM 202 OG SER A 15 39.878 -4.872 19.998 1.00 40.13 O ATOM 0 H SER A 15 39.252 -3.956 15.799 1.00 75.10 H new ATOM 0 HA SER A 15 40.466 -3.226 18.286 1.00 22.11 H new ATOM 0 HB2 SER A 15 38.365 -4.986 18.607 1.00 13.24 H new ATOM 0 HB3 SER A 15 39.697 -6.096 18.353 1.00 13.24 H new ATOM 0 HG SER A 15 39.444 -5.524 20.587 1.00 40.13 H new ATOM 208 N THR A 16 42.136 -5.399 17.782 1.00 3.43 N ATOM 209 CA THR A 16 43.311 -6.065 17.235 1.00 71.33 C ATOM 210 C THR A 16 43.103 -7.574 17.162 1.00 51.42 C ATOM 211 O THR A 16 42.388 -8.152 17.980 1.00 23.34 O ATOM 212 CB THR A 16 44.567 -5.772 18.076 1.00 10.35 C ATOM 213 OG1 THR A 16 44.450 -6.389 19.363 1.00 15.23 O ATOM 214 CG2 THR A 16 44.768 -4.273 18.243 1.00 25.25 C ATOM 0 H THR A 16 42.029 -5.495 18.792 1.00 3.43 H new ATOM 0 HA THR A 16 43.457 -5.671 16.229 1.00 71.33 H new ATOM 0 HB THR A 16 45.431 -6.183 17.554 1.00 10.35 H new ATOM 0 HG1 THR A 16 45.254 -6.199 19.891 1.00 15.23 H new ATOM 0 HG21 THR A 16 45.661 -4.090 18.840 1.00 25.25 H new ATOM 0 HG22 THR A 16 44.886 -3.810 17.263 1.00 25.25 H new ATOM 0 HG23 THR A 16 43.901 -3.843 18.745 1.00 25.25 H new ATOM 222 N VAL A 17 43.732 -8.206 16.177 1.00 64.34 N ATOM 223 CA VAL A 17 43.618 -9.649 15.998 1.00 13.21 C ATOM 224 C VAL A 17 44.978 -10.278 15.722 1.00 64.31 C ATOM 225 O VAL A 17 45.878 -9.628 15.191 1.00 4.14 O ATOM 226 CB VAL A 17 42.659 -9.997 14.844 1.00 44.14 C ATOM 227 CG1 VAL A 17 43.253 -9.571 13.510 1.00 40.44 C ATOM 228 CG2 VAL A 17 42.343 -11.485 14.845 1.00 42.14 C ATOM 0 H VAL A 17 44.326 -7.742 15.490 1.00 64.34 H new ATOM 0 HA VAL A 17 43.217 -10.053 16.928 1.00 13.21 H new ATOM 0 HB VAL A 17 41.727 -9.451 14.991 1.00 44.14 H new ATOM 0 HG11 VAL A 17 42.562 -9.825 12.706 1.00 40.44 H new ATOM 0 HG12 VAL A 17 43.424 -8.495 13.515 1.00 40.44 H new ATOM 0 HG13 VAL A 17 44.199 -10.088 13.351 1.00 40.44 H new ATOM 0 HG21 VAL A 17 41.664 -11.713 14.023 1.00 42.14 H new ATOM 0 HG22 VAL A 17 43.265 -12.053 14.722 1.00 42.14 H new ATOM 0 HG23 VAL A 17 41.873 -11.756 15.790 1.00 42.14 H new ATOM 238 N ALA A 18 45.121 -11.549 16.085 1.00 2.31 N ATOM 239 CA ALA A 18 46.372 -12.268 15.874 1.00 15.42 C ATOM 240 C ALA A 18 46.608 -12.535 14.392 1.00 52.34 C ATOM 241 O ALA A 18 45.663 -12.614 13.606 1.00 62.41 O ATOM 242 CB ALA A 18 46.367 -13.574 16.654 1.00 70.23 C ATOM 0 H ALA A 18 44.386 -12.102 16.526 1.00 2.31 H new ATOM 0 HA ALA A 18 47.188 -11.643 16.238 1.00 15.42 H new ATOM 0 HB1 ALA A 18 47.307 -14.101 16.488 1.00 70.23 H new ATOM 0 HB2 ALA A 18 46.253 -13.362 17.717 1.00 70.23 H new ATOM 0 HB3 ALA A 18 45.538 -14.196 16.317 1.00 70.23 H new ATOM 248 N LYS A 19 47.874 -12.672 14.014 1.00 5.44 N ATOM 249 CA LYS A 19 48.236 -12.930 12.626 1.00 61.42 C ATOM 250 C LYS A 19 47.517 -14.167 12.098 1.00 74.34 C ATOM 251 O LYS A 19 47.355 -15.156 12.812 1.00 41.20 O ATOM 252 CB LYS A 19 49.750 -13.114 12.497 1.00 30.12 C ATOM 253 CG LYS A 19 50.277 -14.344 13.217 1.00 53.41 C ATOM 254 CD LYS A 19 51.323 -13.976 14.255 1.00 25.32 C ATOM 255 CE LYS A 19 51.441 -15.045 15.331 1.00 72.43 C ATOM 256 NZ LYS A 19 52.512 -14.726 16.315 1.00 34.53 N ATOM 0 H LYS A 19 48.668 -12.608 14.651 1.00 5.44 H new ATOM 0 HA LYS A 19 47.929 -12.070 12.031 1.00 61.42 H new ATOM 0 HB2 LYS A 19 50.011 -13.182 11.441 1.00 30.12 H new ATOM 0 HB3 LYS A 19 50.250 -12.230 12.892 1.00 30.12 H new ATOM 0 HG2 LYS A 19 49.451 -14.866 13.700 1.00 53.41 H new ATOM 0 HG3 LYS A 19 50.709 -15.034 12.492 1.00 53.41 H new ATOM 0 HD2 LYS A 19 52.289 -13.841 13.768 1.00 25.32 H new ATOM 0 HD3 LYS A 19 51.061 -13.023 14.715 1.00 25.32 H new ATOM 0 HE2 LYS A 19 50.488 -15.144 15.851 1.00 72.43 H new ATOM 0 HE3 LYS A 19 51.651 -16.008 14.865 1.00 72.43 H new ATOM 0 HZ1 LYS A 19 52.560 -15.478 17.031 1.00 34.53 H new ATOM 0 HZ2 LYS A 19 53.426 -14.657 15.823 1.00 34.53 H new ATOM 0 HZ3 LYS A 19 52.299 -13.820 16.779 1.00 34.53 H new ATOM 270 N GLY A 20 47.087 -14.105 10.841 1.00 64.44 N ATOM 271 CA GLY A 20 46.392 -15.228 10.238 1.00 14.52 C ATOM 272 C GLY A 20 45.217 -15.697 11.073 1.00 20.33 C ATOM 273 O GLY A 20 45.363 -16.574 11.926 1.00 70.21 O ATOM 0 H GLY A 20 47.207 -13.297 10.230 1.00 64.44 H new ATOM 0 HA2 GLY A 20 46.039 -14.943 9.247 1.00 14.52 H new ATOM 0 HA3 GLY A 20 47.091 -16.054 10.103 1.00 14.52 H new ATOM 277 N LEU A 21 44.049 -15.113 10.830 1.00 2.44 N ATOM 278 CA LEU A 21 42.844 -15.475 11.568 1.00 71.32 C ATOM 279 C LEU A 21 41.594 -14.993 10.839 1.00 72.10 C ATOM 280 O LEU A 21 41.684 -14.305 9.823 1.00 74.14 O ATOM 281 CB LEU A 21 42.887 -14.883 12.977 1.00 11.53 C ATOM 282 CG LEU A 21 42.536 -15.838 14.118 1.00 23.24 C ATOM 283 CD1 LEU A 21 43.752 -16.660 14.519 1.00 53.02 C ATOM 284 CD2 LEU A 21 41.995 -15.067 15.313 1.00 52.50 C ATOM 0 H LEU A 21 43.911 -14.387 10.127 1.00 2.44 H new ATOM 0 HA LEU A 21 42.804 -16.562 11.639 1.00 71.32 H new ATOM 0 HB2 LEU A 21 43.888 -14.490 13.154 1.00 11.53 H new ATOM 0 HB3 LEU A 21 42.201 -14.036 13.015 1.00 11.53 H new ATOM 0 HG LEU A 21 41.760 -16.519 13.769 1.00 23.24 H new ATOM 0 HD11 LEU A 21 43.483 -17.334 15.332 1.00 53.02 H new ATOM 0 HD12 LEU A 21 44.096 -17.242 13.664 1.00 53.02 H new ATOM 0 HD13 LEU A 21 44.549 -15.994 14.848 1.00 53.02 H new ATOM 0 HD21 LEU A 21 41.751 -15.764 16.115 1.00 52.50 H new ATOM 0 HD22 LEU A 21 42.749 -14.361 15.662 1.00 52.50 H new ATOM 0 HD23 LEU A 21 41.097 -14.523 15.019 1.00 52.50 H new ATOM 296 N GLN A 22 40.430 -15.357 11.367 1.00 73.41 N ATOM 297 CA GLN A 22 39.162 -14.960 10.767 1.00 74.23 C ATOM 298 C GLN A 22 38.285 -14.231 11.779 1.00 10.53 C ATOM 299 O GLN A 22 38.203 -14.626 12.941 1.00 30.25 O ATOM 300 CB GLN A 22 38.424 -16.186 10.225 1.00 54.41 C ATOM 301 CG GLN A 22 38.794 -16.535 8.792 1.00 13.44 C ATOM 302 CD GLN A 22 38.954 -18.027 8.578 1.00 2.21 C ATOM 303 OE1 GLN A 22 39.980 -18.610 8.931 1.00 13.34 O ATOM 304 NE2 GLN A 22 37.939 -18.654 7.997 1.00 74.24 N ATOM 0 H GLN A 22 40.339 -15.926 12.209 1.00 73.41 H new ATOM 0 HA GLN A 22 39.377 -14.280 9.943 1.00 74.23 H new ATOM 0 HB2 GLN A 22 38.639 -17.041 10.865 1.00 54.41 H new ATOM 0 HB3 GLN A 22 37.350 -16.007 10.281 1.00 54.41 H new ATOM 0 HG2 GLN A 22 38.025 -16.156 8.119 1.00 13.44 H new ATOM 0 HG3 GLN A 22 39.724 -16.032 8.528 1.00 13.44 H new ATOM 0 HE21 GLN A 22 37.108 -18.132 7.721 1.00 74.24 H new ATOM 0 HE22 GLN A 22 37.990 -19.658 7.827 1.00 74.24 H new ATOM 313 N GLU A 23 37.632 -13.163 11.329 1.00 23.43 N ATOM 314 CA GLU A 23 36.763 -12.378 12.198 1.00 72.34 C ATOM 315 C GLU A 23 35.333 -12.363 11.666 1.00 73.15 C ATOM 316 O GLU A 23 35.080 -11.914 10.549 1.00 54.14 O ATOM 317 CB GLU A 23 37.288 -10.946 12.322 1.00 74.31 C ATOM 318 CG GLU A 23 37.243 -10.403 13.740 1.00 12.31 C ATOM 319 CD GLU A 23 38.573 -10.532 14.457 1.00 73.41 C ATOM 320 OE1 GLU A 23 39.284 -11.529 14.210 1.00 43.30 O ATOM 321 OE2 GLU A 23 38.902 -9.639 15.264 1.00 11.34 O ATOM 0 H GLU A 23 37.688 -12.822 10.369 1.00 23.43 H new ATOM 0 HA GLU A 23 36.761 -12.843 13.184 1.00 72.34 H new ATOM 0 HB2 GLU A 23 38.316 -10.912 11.961 1.00 74.31 H new ATOM 0 HB3 GLU A 23 36.701 -10.295 11.674 1.00 74.31 H new ATOM 0 HG2 GLU A 23 36.949 -9.354 13.714 1.00 12.31 H new ATOM 0 HG3 GLU A 23 36.477 -10.935 14.305 1.00 12.31 H new ATOM 328 N ASN A 24 34.401 -12.858 12.474 1.00 24.33 N ATOM 329 CA ASN A 24 32.997 -12.903 12.085 1.00 34.22 C ATOM 330 C ASN A 24 32.320 -11.558 12.333 1.00 22.45 C ATOM 331 O ASN A 24 32.566 -10.906 13.348 1.00 13.32 O ATOM 332 CB ASN A 24 32.267 -14.004 12.858 1.00 71.04 C ATOM 333 CG ASN A 24 32.534 -13.938 14.349 1.00 60.30 C ATOM 334 OD1 ASN A 24 32.050 -13.040 15.039 1.00 61.55 O ATOM 335 ND2 ASN A 24 33.308 -14.892 14.854 1.00 41.22 N ATOM 0 H ASN A 24 34.593 -13.234 13.403 1.00 24.33 H new ATOM 0 HA ASN A 24 32.948 -13.123 11.019 1.00 34.22 H new ATOM 0 HB2 ASN A 24 31.195 -13.920 12.680 1.00 71.04 H new ATOM 0 HB3 ASN A 24 32.578 -14.978 12.479 1.00 71.04 H new ATOM 0 HD21 ASN A 24 33.523 -14.900 15.851 1.00 41.22 H new ATOM 0 HD22 ASN A 24 33.688 -15.617 14.245 1.00 41.22 H new ATOM 342 N PHE A 25 31.467 -11.150 11.400 1.00 31.20 N ATOM 343 CA PHE A 25 30.755 -9.883 11.517 1.00 73.02 C ATOM 344 C PHE A 25 29.247 -10.109 11.568 1.00 34.51 C ATOM 345 O PHE A 25 28.775 -11.246 11.519 1.00 44.11 O ATOM 346 CB PHE A 25 31.105 -8.967 10.342 1.00 14.02 C ATOM 347 CG PHE A 25 32.377 -8.195 10.542 1.00 24.13 C ATOM 348 CD1 PHE A 25 33.598 -8.739 10.175 1.00 52.33 C ATOM 349 CD2 PHE A 25 32.354 -6.926 11.098 1.00 54.04 C ATOM 350 CE1 PHE A 25 34.770 -8.031 10.359 1.00 45.24 C ATOM 351 CE2 PHE A 25 33.523 -6.213 11.284 1.00 61.14 C ATOM 352 CZ PHE A 25 34.733 -6.766 10.913 1.00 60.05 C ATOM 0 H PHE A 25 31.252 -11.678 10.554 1.00 31.20 H new ATOM 0 HA PHE A 25 31.065 -9.405 12.447 1.00 73.02 H new ATOM 0 HB2 PHE A 25 31.193 -9.568 9.437 1.00 14.02 H new ATOM 0 HB3 PHE A 25 30.286 -8.266 10.181 1.00 14.02 H new ATOM 0 HD1 PHE A 25 33.634 -9.727 9.740 1.00 52.33 H new ATOM 0 HD2 PHE A 25 31.411 -6.489 11.390 1.00 54.04 H new ATOM 0 HE1 PHE A 25 35.715 -8.466 10.070 1.00 45.24 H new ATOM 0 HE2 PHE A 25 33.491 -5.225 11.719 1.00 61.14 H new ATOM 0 HZ PHE A 25 35.648 -6.211 11.056 1.00 60.05 H new ATOM 362 N LYS A 26 28.494 -9.019 11.668 1.00 32.21 N ATOM 363 CA LYS A 26 27.039 -9.096 11.726 1.00 51.02 C ATOM 364 C LYS A 26 26.403 -7.915 10.999 1.00 34.42 C ATOM 365 O LYS A 26 26.726 -6.760 11.271 1.00 3.31 O ATOM 366 CB LYS A 26 26.567 -9.128 13.181 1.00 14.51 C ATOM 367 CG LYS A 26 26.216 -10.520 13.677 1.00 40.23 C ATOM 368 CD LYS A 26 25.672 -10.486 15.095 1.00 24.32 C ATOM 369 CE LYS A 26 25.522 -11.887 15.668 1.00 73.54 C ATOM 370 NZ LYS A 26 24.354 -11.989 16.586 1.00 52.21 N ATOM 0 H LYS A 26 28.868 -8.071 11.711 1.00 32.21 H new ATOM 0 HA LYS A 26 26.728 -10.016 11.230 1.00 51.02 H new ATOM 0 HB2 LYS A 26 27.348 -8.711 13.817 1.00 14.51 H new ATOM 0 HB3 LYS A 26 25.694 -8.484 13.285 1.00 14.51 H new ATOM 0 HG2 LYS A 26 25.476 -10.968 13.013 1.00 40.23 H new ATOM 0 HG3 LYS A 26 27.102 -11.154 13.641 1.00 40.23 H new ATOM 0 HD2 LYS A 26 26.340 -9.902 15.728 1.00 24.32 H new ATOM 0 HD3 LYS A 26 24.705 -9.983 15.103 1.00 24.32 H new ATOM 0 HE2 LYS A 26 25.407 -12.602 14.853 1.00 73.54 H new ATOM 0 HE3 LYS A 26 26.431 -12.159 16.205 1.00 73.54 H new ATOM 0 HZ1 LYS A 26 24.286 -12.959 16.955 1.00 52.21 H new ATOM 0 HZ2 LYS A 26 24.475 -11.325 17.377 1.00 52.21 H new ATOM 0 HZ3 LYS A 26 23.483 -11.754 16.068 1.00 52.21 H new ATOM 384 N ALA A 27 25.495 -8.214 10.075 1.00 21.34 N ATOM 385 CA ALA A 27 24.811 -7.177 9.313 1.00 61.42 C ATOM 386 C ALA A 27 23.328 -7.497 9.159 1.00 30.11 C ATOM 387 O ALA A 27 22.958 -8.504 8.553 1.00 1.53 O ATOM 388 CB ALA A 27 25.461 -7.011 7.947 1.00 3.24 C ATOM 0 H ALA A 27 25.217 -9.166 9.837 1.00 21.34 H new ATOM 0 HA ALA A 27 24.899 -6.239 9.862 1.00 61.42 H new ATOM 0 HB1 ALA A 27 24.940 -6.233 7.388 1.00 3.24 H new ATOM 0 HB2 ALA A 27 26.506 -6.729 8.073 1.00 3.24 H new ATOM 0 HB3 ALA A 27 25.403 -7.952 7.400 1.00 3.24 H new ATOM 394 N THR A 28 22.481 -6.635 9.712 1.00 12.53 N ATOM 395 CA THR A 28 21.038 -6.826 9.638 1.00 30.13 C ATOM 396 C THR A 28 20.370 -5.685 8.880 1.00 40.03 C ATOM 397 O THR A 28 20.192 -4.591 9.414 1.00 24.33 O ATOM 398 CB THR A 28 20.412 -6.930 11.042 1.00 3.20 C ATOM 399 OG1 THR A 28 20.866 -5.847 11.862 1.00 51.12 O ATOM 400 CG2 THR A 28 20.772 -8.254 11.698 1.00 32.32 C ATOM 0 H THR A 28 22.770 -5.797 10.217 1.00 12.53 H new ATOM 0 HA THR A 28 20.871 -7.761 9.103 1.00 30.13 H new ATOM 0 HB THR A 28 19.328 -6.877 10.937 1.00 3.20 H new ATOM 0 HG1 THR A 28 20.801 -5.007 11.361 1.00 51.12 H new ATOM 0 HG21 THR A 28 20.319 -8.305 12.688 1.00 32.32 H new ATOM 0 HG22 THR A 28 20.400 -9.076 11.086 1.00 32.32 H new ATOM 0 HG23 THR A 28 21.855 -8.332 11.790 1.00 32.32 H new ATOM 408 N GLY A 29 20.001 -5.948 7.630 1.00 54.54 N ATOM 409 CA GLY A 29 19.355 -4.932 6.818 1.00 64.10 C ATOM 410 C GLY A 29 17.847 -4.944 6.966 1.00 51.21 C ATOM 411 O GLY A 29 17.236 -6.007 7.077 1.00 31.14 O ATOM 0 H GLY A 29 20.138 -6.846 7.165 1.00 54.54 H new ATOM 0 HA2 GLY A 29 19.737 -3.950 7.098 1.00 64.10 H new ATOM 0 HA3 GLY A 29 19.615 -5.088 5.771 1.00 64.10 H new ATOM 415 N ILE A 30 17.245 -3.759 6.969 1.00 61.24 N ATOM 416 CA ILE A 30 15.799 -3.638 7.105 1.00 51.13 C ATOM 417 C ILE A 30 15.204 -2.833 5.954 1.00 1.35 C ATOM 418 O ILE A 30 15.391 -1.619 5.870 1.00 3.32 O ATOM 419 CB ILE A 30 15.413 -2.970 8.438 1.00 40.13 C ATOM 420 CG1 ILE A 30 16.030 -3.731 9.612 1.00 23.54 C ATOM 421 CG2 ILE A 30 13.900 -2.904 8.579 1.00 74.35 C ATOM 422 CD1 ILE A 30 17.227 -3.036 10.221 1.00 5.34 C ATOM 0 H ILE A 30 17.736 -2.870 6.879 1.00 61.24 H new ATOM 0 HA ILE A 30 15.394 -4.650 7.085 1.00 51.13 H new ATOM 0 HB ILE A 30 15.803 -1.952 8.444 1.00 40.13 H new ATOM 0 HG12 ILE A 30 15.271 -3.872 10.382 1.00 23.54 H new ATOM 0 HG13 ILE A 30 16.329 -4.723 9.274 1.00 23.54 H new ATOM 0 HG21 ILE A 30 13.643 -2.429 9.526 1.00 74.35 H new ATOM 0 HG22 ILE A 30 13.483 -2.322 7.757 1.00 74.35 H new ATOM 0 HG23 ILE A 30 13.488 -3.913 8.555 1.00 74.35 H new ATOM 0 HD11 ILE A 30 17.612 -3.633 11.048 1.00 5.34 H new ATOM 0 HD12 ILE A 30 18.003 -2.919 9.465 1.00 5.34 H new ATOM 0 HD13 ILE A 30 16.929 -2.055 10.590 1.00 5.34 H new ATOM 434 N PHE A 31 14.485 -3.516 5.071 1.00 72.43 N ATOM 435 CA PHE A 31 13.861 -2.865 3.925 1.00 52.11 C ATOM 436 C PHE A 31 12.369 -3.180 3.866 1.00 50.10 C ATOM 437 O PHE A 31 11.957 -4.328 4.035 1.00 63.32 O ATOM 438 CB PHE A 31 14.539 -3.309 2.627 1.00 0.22 C ATOM 439 CG PHE A 31 16.038 -3.345 2.716 1.00 51.30 C ATOM 440 CD1 PHE A 31 16.735 -2.303 3.307 1.00 63.42 C ATOM 441 CD2 PHE A 31 16.750 -4.420 2.208 1.00 14.31 C ATOM 442 CE1 PHE A 31 18.115 -2.333 3.390 1.00 33.45 C ATOM 443 CE2 PHE A 31 18.129 -4.455 2.289 1.00 32.44 C ATOM 444 CZ PHE A 31 18.812 -3.411 2.880 1.00 3.51 C ATOM 0 H PHE A 31 14.320 -4.521 5.127 1.00 72.43 H new ATOM 0 HA PHE A 31 13.983 -1.788 4.040 1.00 52.11 H new ATOM 0 HB2 PHE A 31 14.175 -4.300 2.357 1.00 0.22 H new ATOM 0 HB3 PHE A 31 14.247 -2.632 1.824 1.00 0.22 H new ATOM 0 HD1 PHE A 31 16.194 -1.458 3.707 1.00 63.42 H new ATOM 0 HD2 PHE A 31 16.221 -5.239 1.744 1.00 14.31 H new ATOM 0 HE1 PHE A 31 18.647 -1.515 3.853 1.00 33.45 H new ATOM 0 HE2 PHE A 31 18.672 -5.299 1.890 1.00 32.44 H new ATOM 0 HZ PHE A 31 19.890 -3.437 2.944 1.00 3.51 H new ATOM 454 N THR A 32 11.562 -2.151 3.626 1.00 71.14 N ATOM 455 CA THR A 32 10.116 -2.316 3.546 1.00 61.21 C ATOM 456 C THR A 32 9.722 -3.130 2.319 1.00 65.42 C ATOM 457 O THR A 32 8.616 -3.666 2.246 1.00 42.31 O ATOM 458 CB THR A 32 9.397 -0.955 3.497 1.00 41.10 C ATOM 459 OG1 THR A 32 10.006 -0.046 4.421 1.00 50.34 O ATOM 460 CG2 THR A 32 7.921 -1.110 3.829 1.00 33.43 C ATOM 0 H THR A 32 11.886 -1.194 3.484 1.00 71.14 H new ATOM 0 HA THR A 32 9.809 -2.849 4.446 1.00 61.21 H new ATOM 0 HB THR A 32 9.486 -0.559 2.486 1.00 41.10 H new ATOM 0 HG1 THR A 32 9.544 0.818 4.383 1.00 50.34 H new ATOM 0 HG21 THR A 32 7.435 -0.135 3.788 1.00 33.43 H new ATOM 0 HG22 THR A 32 7.454 -1.779 3.107 1.00 33.43 H new ATOM 0 HG23 THR A 32 7.815 -1.526 4.831 1.00 33.43 H new ATOM 468 N ASP A 33 10.634 -3.221 1.357 1.00 4.41 N ATOM 469 CA ASP A 33 10.383 -3.972 0.133 1.00 52.23 C ATOM 470 C ASP A 33 11.059 -5.338 0.185 1.00 64.12 C ATOM 471 O ASP A 33 10.958 -6.128 -0.753 1.00 43.41 O ATOM 472 CB ASP A 33 10.880 -3.188 -1.083 1.00 24.40 C ATOM 473 CG ASP A 33 12.364 -3.382 -1.329 1.00 11.22 C ATOM 474 OD1 ASP A 33 13.129 -3.416 -0.342 1.00 53.35 O ATOM 475 OD2 ASP A 33 12.760 -3.498 -2.508 1.00 21.44 O ATOM 0 H ASP A 33 11.554 -2.784 1.402 1.00 4.41 H new ATOM 0 HA ASP A 33 9.307 -4.123 0.043 1.00 52.23 H new ATOM 0 HB2 ASP A 33 10.324 -3.502 -1.966 1.00 24.40 H new ATOM 0 HB3 ASP A 33 10.674 -2.128 -0.937 1.00 24.40 H new ATOM 480 N ASN A 34 11.750 -5.609 1.287 1.00 23.04 N ATOM 481 CA ASN A 34 12.445 -6.879 1.461 1.00 23.40 C ATOM 482 C ASN A 34 13.155 -6.931 2.811 1.00 74.32 C ATOM 483 O ASN A 34 14.307 -6.517 2.934 1.00 22.03 O ATOM 484 CB ASN A 34 13.457 -7.090 0.332 1.00 13.44 C ATOM 485 CG ASN A 34 13.080 -8.246 -0.574 1.00 14.50 C ATOM 486 OD1 ASN A 34 12.976 -9.389 -0.130 1.00 23.02 O ATOM 487 ND2 ASN A 34 12.872 -7.952 -1.852 1.00 43.53 N ATOM 0 H ASN A 34 11.844 -4.966 2.073 1.00 23.04 H new ATOM 0 HA ASN A 34 11.703 -7.677 1.429 1.00 23.40 H new ATOM 0 HB2 ASN A 34 13.532 -6.178 -0.260 1.00 13.44 H new ATOM 0 HB3 ASN A 34 14.442 -7.274 0.761 1.00 13.44 H new ATOM 0 HD21 ASN A 34 12.615 -8.688 -2.509 1.00 43.53 H new ATOM 0 HD22 ASN A 34 12.969 -6.990 -2.176 1.00 43.53 H new ATOM 494 N SER A 35 12.458 -7.444 3.820 1.00 13.41 N ATOM 495 CA SER A 35 13.019 -7.547 5.162 1.00 61.21 C ATOM 496 C SER A 35 14.021 -8.695 5.245 1.00 75.23 C ATOM 497 O SER A 35 13.760 -9.715 5.881 1.00 63.41 O ATOM 498 CB SER A 35 11.905 -7.753 6.190 1.00 55.55 C ATOM 499 OG SER A 35 11.126 -8.895 5.877 1.00 44.24 O ATOM 0 H SER A 35 11.504 -7.795 3.734 1.00 13.41 H new ATOM 0 HA SER A 35 13.540 -6.615 5.383 1.00 61.21 H new ATOM 0 HB2 SER A 35 12.339 -7.866 7.183 1.00 55.55 H new ATOM 0 HB3 SER A 35 11.266 -6.870 6.220 1.00 55.55 H new ATOM 0 HG SER A 35 11.696 -9.692 5.885 1.00 44.24 H new ATOM 505 N ASN A 36 15.167 -8.520 4.596 1.00 42.21 N ATOM 506 CA ASN A 36 16.209 -9.541 4.595 1.00 53.31 C ATOM 507 C ASN A 36 17.529 -8.972 5.105 1.00 11.55 C ATOM 508 O ASN A 36 17.691 -7.756 5.218 1.00 34.54 O ATOM 509 CB ASN A 36 16.395 -10.107 3.186 1.00 45.23 C ATOM 510 CG ASN A 36 15.793 -11.490 3.034 1.00 24.40 C ATOM 511 OD1 ASN A 36 14.726 -11.778 3.577 1.00 64.14 O ATOM 512 ND2 ASN A 36 16.477 -12.355 2.293 1.00 21.05 N ATOM 0 H ASN A 36 15.398 -7.681 4.064 1.00 42.21 H new ATOM 0 HA ASN A 36 15.898 -10.343 5.264 1.00 53.31 H new ATOM 0 HB2 ASN A 36 15.936 -9.433 2.463 1.00 45.23 H new ATOM 0 HB3 ASN A 36 17.459 -10.149 2.952 1.00 45.23 H new ATOM 0 HD21 ASN A 36 16.122 -13.301 2.155 1.00 21.05 H new ATOM 0 HD22 ASN A 36 17.357 -12.073 1.862 1.00 21.05 H new ATOM 519 N SER A 37 18.470 -9.858 5.412 1.00 22.41 N ATOM 520 CA SER A 37 19.776 -9.445 5.914 1.00 74.13 C ATOM 521 C SER A 37 20.717 -9.103 4.763 1.00 74.45 C ATOM 522 O SER A 37 20.462 -9.459 3.612 1.00 51.44 O ATOM 523 CB SER A 37 20.387 -10.551 6.776 1.00 3.45 C ATOM 524 OG SER A 37 20.991 -11.550 5.973 1.00 55.22 O ATOM 0 H SER A 37 18.353 -10.867 5.322 1.00 22.41 H new ATOM 0 HA SER A 37 19.638 -8.553 6.525 1.00 74.13 H new ATOM 0 HB2 SER A 37 21.130 -10.123 7.449 1.00 3.45 H new ATOM 0 HB3 SER A 37 19.613 -11.000 7.399 1.00 3.45 H new ATOM 0 HG SER A 37 21.087 -12.375 6.494 1.00 55.22 H new ATOM 530 N ASP A 38 21.805 -8.412 5.082 1.00 53.51 N ATOM 531 CA ASP A 38 22.786 -8.022 4.076 1.00 53.33 C ATOM 532 C ASP A 38 23.473 -9.248 3.483 1.00 0.11 C ATOM 533 O ASP A 38 24.329 -9.861 4.122 1.00 43.43 O ATOM 534 CB ASP A 38 23.828 -7.082 4.685 1.00 35.44 C ATOM 535 CG ASP A 38 23.212 -5.805 5.222 1.00 31.34 C ATOM 536 OD1 ASP A 38 22.795 -4.958 4.405 1.00 11.21 O ATOM 537 OD2 ASP A 38 23.146 -5.654 6.460 1.00 1.30 O ATOM 0 H ASP A 38 22.030 -8.110 6.030 1.00 53.51 H new ATOM 0 HA ASP A 38 22.261 -7.500 3.276 1.00 53.33 H new ATOM 0 HB2 ASP A 38 24.350 -7.597 5.491 1.00 35.44 H new ATOM 0 HB3 ASP A 38 24.574 -6.833 3.930 1.00 35.44 H new ATOM 542 N ILE A 39 23.092 -9.600 2.260 1.00 35.42 N ATOM 543 CA ILE A 39 23.671 -10.753 1.582 1.00 22.12 C ATOM 544 C ILE A 39 23.107 -10.904 0.174 1.00 53.33 C ATOM 545 O ILE A 39 23.813 -11.307 -0.751 1.00 31.50 O ATOM 546 CB ILE A 39 23.417 -12.054 2.367 1.00 43.04 C ATOM 547 CG1 ILE A 39 24.067 -13.241 1.653 1.00 42.14 C ATOM 548 CG2 ILE A 39 21.924 -12.286 2.539 1.00 55.32 C ATOM 549 CD1 ILE A 39 25.570 -13.120 1.525 1.00 33.40 C ATOM 0 H ILE A 39 22.385 -9.103 1.718 1.00 35.42 H new ATOM 0 HA ILE A 39 24.745 -10.577 1.523 1.00 22.12 H new ATOM 0 HB ILE A 39 23.866 -11.958 3.356 1.00 43.04 H new ATOM 0 HG12 ILE A 39 23.829 -14.156 2.196 1.00 42.14 H new ATOM 0 HG13 ILE A 39 23.632 -13.339 0.658 1.00 42.14 H new ATOM 0 HG21 ILE A 39 21.761 -13.209 3.095 1.00 55.32 H new ATOM 0 HG22 ILE A 39 21.487 -11.451 3.086 1.00 55.32 H new ATOM 0 HG23 ILE A 39 21.453 -12.365 1.559 1.00 55.32 H new ATOM 0 HD11 ILE A 39 25.963 -13.996 1.009 1.00 33.40 H new ATOM 0 HD12 ILE A 39 25.816 -12.223 0.956 1.00 33.40 H new ATOM 0 HD13 ILE A 39 26.015 -13.053 2.518 1.00 33.40 H new ATOM 561 N THR A 40 21.828 -10.574 0.016 1.00 63.51 N ATOM 562 CA THR A 40 21.168 -10.672 -1.280 1.00 23.12 C ATOM 563 C THR A 40 21.748 -9.668 -2.269 1.00 64.14 C ATOM 564 O THR A 40 21.784 -9.919 -3.474 1.00 70.31 O ATOM 565 CB THR A 40 19.651 -10.436 -1.157 1.00 21.25 C ATOM 566 OG1 THR A 40 19.073 -11.412 -0.283 1.00 30.33 O ATOM 567 CG2 THR A 40 18.980 -10.508 -2.520 1.00 12.32 C ATOM 0 H THR A 40 21.229 -10.237 0.770 1.00 63.51 H new ATOM 0 HA THR A 40 21.342 -11.683 -1.648 1.00 23.12 H new ATOM 0 HB THR A 40 19.493 -9.440 -0.744 1.00 21.25 H new ATOM 0 HG1 THR A 40 18.109 -11.254 -0.209 1.00 30.33 H new ATOM 0 HG21 THR A 40 17.909 -10.338 -2.408 1.00 12.32 H new ATOM 0 HG22 THR A 40 19.402 -9.745 -3.174 1.00 12.32 H new ATOM 0 HG23 THR A 40 19.147 -11.493 -2.956 1.00 12.32 H new ATOM 575 N ASP A 41 22.202 -8.531 -1.754 1.00 24.22 N ATOM 576 CA ASP A 41 22.783 -7.489 -2.593 1.00 22.33 C ATOM 577 C ASP A 41 24.272 -7.737 -2.814 1.00 60.14 C ATOM 578 O ASP A 41 24.968 -6.907 -3.397 1.00 44.44 O ATOM 579 CB ASP A 41 22.571 -6.115 -1.956 1.00 4.11 C ATOM 580 CG ASP A 41 21.394 -5.373 -2.558 1.00 44.01 C ATOM 581 OD1 ASP A 41 20.253 -5.858 -2.417 1.00 34.05 O ATOM 582 OD2 ASP A 41 21.615 -4.308 -3.172 1.00 2.44 O ATOM 0 H ASP A 41 22.179 -8.307 -0.759 1.00 24.22 H new ATOM 0 HA ASP A 41 22.281 -7.514 -3.560 1.00 22.33 H new ATOM 0 HB2 ASP A 41 22.411 -6.235 -0.884 1.00 4.11 H new ATOM 0 HB3 ASP A 41 23.474 -5.518 -2.079 1.00 4.11 H new ATOM 587 N GLN A 42 24.752 -8.884 -2.344 1.00 43.32 N ATOM 588 CA GLN A 42 26.159 -9.239 -2.490 1.00 31.12 C ATOM 589 C GLN A 42 27.018 -8.486 -1.479 1.00 60.42 C ATOM 590 O GLN A 42 27.833 -9.083 -0.775 1.00 52.00 O ATOM 591 CB GLN A 42 26.639 -8.937 -3.910 1.00 52.54 C ATOM 592 CG GLN A 42 27.738 -9.869 -4.393 1.00 72.40 C ATOM 593 CD GLN A 42 28.593 -9.250 -5.481 1.00 31.21 C ATOM 594 OE1 GLN A 42 28.386 -9.502 -6.668 1.00 54.13 O ATOM 595 NE2 GLN A 42 29.561 -8.434 -5.081 1.00 23.43 N ATOM 0 H GLN A 42 24.188 -9.582 -1.860 1.00 43.32 H new ATOM 0 HA GLN A 42 26.259 -10.308 -2.300 1.00 31.12 H new ATOM 0 HB2 GLN A 42 25.792 -9.004 -4.593 1.00 52.54 H new ATOM 0 HB3 GLN A 42 27.001 -7.910 -3.951 1.00 52.54 H new ATOM 0 HG2 GLN A 42 28.372 -10.144 -3.550 1.00 72.40 H new ATOM 0 HG3 GLN A 42 27.290 -10.789 -4.768 1.00 72.40 H new ATOM 0 HE21 GLN A 42 29.697 -8.253 -4.086 1.00 23.43 H new ATOM 0 HE22 GLN A 42 30.168 -7.988 -5.768 1.00 23.43 H new ATOM 604 N VAL A 43 26.831 -7.172 -1.413 1.00 73.01 N ATOM 605 CA VAL A 43 27.588 -6.337 -0.488 1.00 60.41 C ATOM 606 C VAL A 43 29.062 -6.289 -0.873 1.00 25.15 C ATOM 607 O VAL A 43 29.718 -7.324 -0.996 1.00 23.22 O ATOM 608 CB VAL A 43 27.463 -6.848 0.960 1.00 52.03 C ATOM 609 CG1 VAL A 43 28.006 -5.818 1.938 1.00 14.22 C ATOM 610 CG2 VAL A 43 26.015 -7.189 1.280 1.00 25.35 C ATOM 0 H VAL A 43 26.161 -6.662 -1.989 1.00 73.01 H new ATOM 0 HA VAL A 43 27.166 -5.334 -0.549 1.00 60.41 H new ATOM 0 HB VAL A 43 28.057 -7.756 1.060 1.00 52.03 H new ATOM 0 HG11 VAL A 43 27.909 -6.196 2.956 1.00 14.22 H new ATOM 0 HG12 VAL A 43 29.057 -5.628 1.720 1.00 14.22 H new ATOM 0 HG13 VAL A 43 27.441 -4.891 1.841 1.00 14.22 H new ATOM 0 HG21 VAL A 43 25.944 -7.548 2.307 1.00 25.35 H new ATOM 0 HG22 VAL A 43 25.397 -6.298 1.164 1.00 25.35 H new ATOM 0 HG23 VAL A 43 25.665 -7.965 0.599 1.00 25.35 H new ATOM 620 N THR A 44 29.580 -5.079 -1.061 1.00 20.01 N ATOM 621 CA THR A 44 30.977 -4.895 -1.432 1.00 43.31 C ATOM 622 C THR A 44 31.842 -4.629 -0.205 1.00 14.50 C ATOM 623 O THR A 44 31.561 -3.722 0.579 1.00 54.22 O ATOM 624 CB THR A 44 31.145 -3.731 -2.427 1.00 4.43 C ATOM 625 OG1 THR A 44 29.890 -3.432 -3.048 1.00 64.02 O ATOM 626 CG2 THR A 44 32.176 -4.074 -3.492 1.00 53.40 C ATOM 0 H THR A 44 29.052 -4.212 -0.962 1.00 20.01 H new ATOM 0 HA THR A 44 31.302 -5.820 -1.908 1.00 43.31 H new ATOM 0 HB THR A 44 31.493 -2.858 -1.875 1.00 4.43 H new ATOM 0 HG1 THR A 44 30.005 -2.690 -3.678 1.00 64.02 H new ATOM 0 HG21 THR A 44 32.277 -3.237 -4.183 1.00 53.40 H new ATOM 0 HG22 THR A 44 33.137 -4.271 -3.018 1.00 53.40 H new ATOM 0 HG23 THR A 44 31.853 -4.959 -4.039 1.00 53.40 H new ATOM 634 N TRP A 45 32.894 -5.423 -0.045 1.00 34.12 N ATOM 635 CA TRP A 45 33.800 -5.272 1.088 1.00 71.01 C ATOM 636 C TRP A 45 35.215 -4.958 0.615 1.00 52.12 C ATOM 637 O TRP A 45 35.704 -5.552 -0.346 1.00 41.11 O ATOM 638 CB TRP A 45 33.804 -6.544 1.938 1.00 55.23 C ATOM 639 CG TRP A 45 32.758 -6.544 3.012 1.00 50.34 C ATOM 640 CD1 TRP A 45 31.409 -6.420 2.842 1.00 54.14 C ATOM 641 CD2 TRP A 45 32.977 -6.672 4.421 1.00 52.53 C ATOM 642 NE1 TRP A 45 30.775 -6.463 4.060 1.00 23.13 N ATOM 643 CE2 TRP A 45 31.715 -6.618 5.045 1.00 41.32 C ATOM 644 CE3 TRP A 45 34.115 -6.828 5.216 1.00 62.22 C ATOM 645 CZ2 TRP A 45 31.563 -6.714 6.425 1.00 2.14 C ATOM 646 CZ3 TRP A 45 33.963 -6.923 6.586 1.00 72.21 C ATOM 647 CH2 TRP A 45 32.695 -6.867 7.180 1.00 52.34 C ATOM 0 H TRP A 45 33.141 -6.178 -0.685 1.00 34.12 H new ATOM 0 HA TRP A 45 33.446 -4.439 1.695 1.00 71.01 H new ATOM 0 HB2 TRP A 45 33.649 -7.406 1.290 1.00 55.23 H new ATOM 0 HB3 TRP A 45 34.786 -6.663 2.397 1.00 55.23 H new ATOM 0 HD1 TRP A 45 30.913 -6.305 1.890 1.00 54.14 H new ATOM 0 HE1 TRP A 45 29.768 -6.391 4.207 1.00 23.13 H new ATOM 0 HE3 TRP A 45 35.096 -6.874 4.768 1.00 62.22 H new ATOM 0 HZ2 TRP A 45 30.587 -6.669 6.884 1.00 2.14 H new ATOM 0 HZ3 TRP A 45 34.836 -7.042 7.210 1.00 72.21 H new ATOM 0 HH2 TRP A 45 32.609 -6.946 8.254 1.00 52.34 H new ATOM 658 N ASP A 46 35.867 -4.022 1.295 1.00 2.31 N ATOM 659 CA ASP A 46 37.227 -3.630 0.944 1.00 4.15 C ATOM 660 C ASP A 46 38.179 -3.866 2.113 1.00 1.41 C ATOM 661 O ASP A 46 37.802 -3.711 3.275 1.00 41.54 O ATOM 662 CB ASP A 46 37.266 -2.159 0.528 1.00 11.30 C ATOM 663 CG ASP A 46 37.681 -1.977 -0.919 1.00 32.12 C ATOM 664 OD1 ASP A 46 36.860 -2.272 -1.813 1.00 63.12 O ATOM 665 OD2 ASP A 46 38.826 -1.539 -1.157 1.00 34.33 O ATOM 0 H ASP A 46 35.476 -3.520 2.092 1.00 2.31 H new ATOM 0 HA ASP A 46 37.551 -4.245 0.104 1.00 4.15 H new ATOM 0 HB2 ASP A 46 36.282 -1.716 0.679 1.00 11.30 H new ATOM 0 HB3 ASP A 46 37.961 -1.620 1.173 1.00 11.30 H new ATOM 670 N SER A 47 39.414 -4.242 1.797 1.00 21.33 N ATOM 671 CA SER A 47 40.419 -4.504 2.821 1.00 33.42 C ATOM 672 C SER A 47 41.692 -3.710 2.549 1.00 44.13 C ATOM 673 O SER A 47 42.029 -3.431 1.398 1.00 60.20 O ATOM 674 CB SER A 47 40.739 -5.999 2.880 1.00 24.22 C ATOM 675 OG SER A 47 41.140 -6.384 4.184 1.00 41.31 O ATOM 0 H SER A 47 39.743 -4.372 0.840 1.00 21.33 H new ATOM 0 HA SER A 47 40.014 -4.188 3.782 1.00 33.42 H new ATOM 0 HB2 SER A 47 39.862 -6.574 2.581 1.00 24.22 H new ATOM 0 HB3 SER A 47 41.531 -6.233 2.169 1.00 24.22 H new ATOM 0 HG SER A 47 40.926 -7.330 4.326 1.00 41.31 H new ATOM 681 N SER A 48 42.396 -3.348 3.616 1.00 24.05 N ATOM 682 CA SER A 48 43.631 -2.582 3.494 1.00 22.12 C ATOM 683 C SER A 48 44.586 -3.245 2.506 1.00 50.22 C ATOM 684 O SER A 48 44.645 -4.470 2.410 1.00 45.21 O ATOM 685 CB SER A 48 44.308 -2.444 4.859 1.00 13.35 C ATOM 686 OG SER A 48 44.496 -1.081 5.199 1.00 5.12 O ATOM 0 H SER A 48 42.132 -3.573 4.575 1.00 24.05 H new ATOM 0 HA SER A 48 43.378 -1.590 3.120 1.00 22.12 H new ATOM 0 HB2 SER A 48 43.700 -2.932 5.621 1.00 13.35 H new ATOM 0 HB3 SER A 48 45.271 -2.955 4.844 1.00 13.35 H new ATOM 0 HG SER A 48 45.189 -1.008 5.888 1.00 5.12 H new ATOM 692 N ASN A 49 45.332 -2.425 1.773 1.00 53.45 N ATOM 693 CA ASN A 49 46.284 -2.930 0.790 1.00 11.13 C ATOM 694 C ASN A 49 47.544 -3.452 1.473 1.00 23.12 C ATOM 695 O ASN A 49 48.634 -2.906 1.293 1.00 34.51 O ATOM 696 CB ASN A 49 46.650 -1.830 -0.209 1.00 31.43 C ATOM 697 CG ASN A 49 45.427 -1.187 -0.834 1.00 62.11 C ATOM 698 OD1 ASN A 49 44.994 -0.113 -0.416 1.00 25.34 O ATOM 699 ND2 ASN A 49 44.864 -1.843 -1.842 1.00 30.20 N ATOM 0 H ASN A 49 45.296 -1.408 1.841 1.00 53.45 H new ATOM 0 HA ASN A 49 45.813 -3.755 0.255 1.00 11.13 H new ATOM 0 HB2 ASN A 49 47.241 -1.066 0.296 1.00 31.43 H new ATOM 0 HB3 ASN A 49 47.278 -2.251 -0.995 1.00 31.43 H new ATOM 0 HD21 ASN A 49 44.039 -1.459 -2.303 1.00 30.20 H new ATOM 0 HD22 ASN A 49 45.257 -2.731 -2.156 1.00 30.20 H new ATOM 706 N THR A 50 47.389 -4.514 2.258 1.00 10.22 N ATOM 707 CA THR A 50 48.513 -5.110 2.969 1.00 62.14 C ATOM 708 C THR A 50 49.066 -6.313 2.213 1.00 53.03 C ATOM 709 O THR A 50 48.698 -6.558 1.064 1.00 64.25 O ATOM 710 CB THR A 50 48.110 -5.551 4.388 1.00 22.14 C ATOM 711 OG1 THR A 50 46.771 -5.130 4.671 1.00 60.23 O ATOM 712 CG2 THR A 50 49.059 -4.970 5.425 1.00 2.45 C ATOM 0 H THR A 50 46.495 -4.979 2.417 1.00 10.22 H new ATOM 0 HA THR A 50 49.284 -4.343 3.040 1.00 62.14 H new ATOM 0 HB THR A 50 48.166 -6.639 4.436 1.00 22.14 H new ATOM 0 HG1 THR A 50 46.733 -4.151 4.690 1.00 60.23 H new ATOM 0 HG21 THR A 50 48.754 -5.295 6.420 1.00 2.45 H new ATOM 0 HG22 THR A 50 50.073 -5.316 5.225 1.00 2.45 H new ATOM 0 HG23 THR A 50 49.031 -3.882 5.375 1.00 2.45 H new ATOM 720 N ASP A 51 49.949 -7.060 2.865 1.00 63.53 N ATOM 721 CA ASP A 51 50.552 -8.240 2.254 1.00 15.02 C ATOM 722 C ASP A 51 49.485 -9.130 1.623 1.00 41.52 C ATOM 723 O ASP A 51 49.480 -9.344 0.410 1.00 1.22 O ATOM 724 CB ASP A 51 51.343 -9.032 3.296 1.00 33.31 C ATOM 725 CG ASP A 51 52.508 -8.243 3.861 1.00 35.42 C ATOM 726 OD1 ASP A 51 52.986 -7.317 3.174 1.00 65.12 O ATOM 727 OD2 ASP A 51 52.940 -8.552 4.991 1.00 14.24 O ATOM 0 H ASP A 51 50.264 -6.870 3.816 1.00 63.53 H new ATOM 0 HA ASP A 51 51.232 -7.906 1.470 1.00 15.02 H new ATOM 0 HB2 ASP A 51 50.677 -9.324 4.108 1.00 33.31 H new ATOM 0 HB3 ASP A 51 51.716 -9.951 2.844 1.00 33.31 H new ATOM 732 N ILE A 52 48.585 -9.645 2.453 1.00 73.12 N ATOM 733 CA ILE A 52 47.514 -10.511 1.975 1.00 31.14 C ATOM 734 C ILE A 52 46.231 -10.287 2.769 1.00 71.43 C ATOM 735 O ILE A 52 46.071 -10.812 3.872 1.00 54.52 O ATOM 736 CB ILE A 52 47.908 -11.997 2.067 1.00 24.03 C ATOM 737 CG1 ILE A 52 46.700 -12.887 1.770 1.00 21.41 C ATOM 738 CG2 ILE A 52 48.478 -12.310 3.443 1.00 41.31 C ATOM 739 CD1 ILE A 52 46.048 -12.596 0.437 1.00 63.15 C ATOM 0 H ILE A 52 48.576 -9.478 3.459 1.00 73.12 H new ATOM 0 HA ILE A 52 47.342 -10.253 0.930 1.00 31.14 H new ATOM 0 HB ILE A 52 48.677 -12.200 1.322 1.00 24.03 H new ATOM 0 HG12 ILE A 52 47.014 -13.931 1.792 1.00 21.41 H new ATOM 0 HG13 ILE A 52 45.962 -12.760 2.562 1.00 21.41 H new ATOM 0 HG21 ILE A 52 48.752 -13.364 3.492 1.00 41.31 H new ATOM 0 HG22 ILE A 52 49.362 -11.697 3.619 1.00 41.31 H new ATOM 0 HG23 ILE A 52 47.729 -12.094 4.205 1.00 41.31 H new ATOM 0 HD11 ILE A 52 45.199 -13.264 0.294 1.00 63.15 H new ATOM 0 HD12 ILE A 52 45.703 -11.562 0.419 1.00 63.15 H new ATOM 0 HD13 ILE A 52 46.771 -12.751 -0.363 1.00 63.15 H new ATOM 751 N LEU A 53 45.319 -9.507 2.200 1.00 74.44 N ATOM 752 CA LEU A 53 44.047 -9.215 2.852 1.00 22.14 C ATOM 753 C LEU A 53 42.874 -9.628 1.969 1.00 20.13 C ATOM 754 O LEU A 53 42.797 -9.243 0.803 1.00 54.02 O ATOM 755 CB LEU A 53 43.952 -7.725 3.183 1.00 53.42 C ATOM 756 CG LEU A 53 44.537 -7.297 4.529 1.00 12.31 C ATOM 757 CD1 LEU A 53 43.611 -7.700 5.666 1.00 32.10 C ATOM 758 CD2 LEU A 53 45.920 -7.900 4.726 1.00 71.24 C ATOM 0 H LEU A 53 45.436 -9.065 1.288 1.00 74.44 H new ATOM 0 HA LEU A 53 44.001 -9.790 3.777 1.00 22.14 H new ATOM 0 HB2 LEU A 53 44.457 -7.166 2.396 1.00 53.42 H new ATOM 0 HB3 LEU A 53 42.902 -7.434 3.157 1.00 53.42 H new ATOM 0 HG LEU A 53 44.632 -6.211 4.533 1.00 12.31 H new ATOM 0 HD11 LEU A 53 44.044 -7.387 6.616 1.00 32.10 H new ATOM 0 HD12 LEU A 53 42.642 -7.220 5.533 1.00 32.10 H new ATOM 0 HD13 LEU A 53 43.483 -8.782 5.665 1.00 32.10 H new ATOM 0 HD21 LEU A 53 46.321 -7.584 5.689 1.00 71.24 H new ATOM 0 HD22 LEU A 53 45.850 -8.987 4.701 1.00 71.24 H new ATOM 0 HD23 LEU A 53 46.582 -7.561 3.929 1.00 71.24 H new ATOM 770 N SER A 54 41.962 -10.412 2.535 1.00 72.44 N ATOM 771 CA SER A 54 40.793 -10.879 1.798 1.00 11.03 C ATOM 772 C SER A 54 39.526 -10.723 2.634 1.00 2.42 C ATOM 773 O SER A 54 39.533 -10.963 3.842 1.00 41.21 O ATOM 774 CB SER A 54 40.971 -12.343 1.391 1.00 2.10 C ATOM 775 OG SER A 54 40.884 -12.495 -0.015 1.00 72.31 O ATOM 0 H SER A 54 42.010 -10.737 3.501 1.00 72.44 H new ATOM 0 HA SER A 54 40.693 -10.269 0.900 1.00 11.03 H new ATOM 0 HB2 SER A 54 41.938 -12.706 1.740 1.00 2.10 H new ATOM 0 HB3 SER A 54 40.208 -12.953 1.874 1.00 2.10 H new ATOM 0 HG SER A 54 41.003 -13.439 -0.250 1.00 72.31 H new ATOM 781 N ILE A 55 38.441 -10.318 1.983 1.00 61.45 N ATOM 782 CA ILE A 55 37.167 -10.131 2.665 1.00 53.35 C ATOM 783 C ILE A 55 36.087 -11.026 2.067 1.00 35.23 C ATOM 784 O ILE A 55 35.899 -11.064 0.851 1.00 2.23 O ATOM 785 CB ILE A 55 36.700 -8.665 2.592 1.00 1.34 C ATOM 786 CG1 ILE A 55 36.832 -8.135 1.163 1.00 12.52 C ATOM 787 CG2 ILE A 55 37.502 -7.805 3.558 1.00 64.40 C ATOM 788 CD1 ILE A 55 38.181 -7.517 0.870 1.00 63.44 C ATOM 0 H ILE A 55 38.419 -10.113 0.984 1.00 61.45 H new ATOM 0 HA ILE A 55 37.325 -10.403 3.709 1.00 53.35 H new ATOM 0 HB ILE A 55 35.650 -8.619 2.881 1.00 1.34 H new ATOM 0 HG12 ILE A 55 36.656 -8.952 0.463 1.00 12.52 H new ATOM 0 HG13 ILE A 55 36.055 -7.391 0.987 1.00 12.52 H new ATOM 0 HG21 ILE A 55 37.160 -6.772 3.495 1.00 64.40 H new ATOM 0 HG22 ILE A 55 37.362 -8.172 4.575 1.00 64.40 H new ATOM 0 HG23 ILE A 55 38.559 -7.854 3.297 1.00 64.40 H new ATOM 0 HD11 ILE A 55 38.203 -7.163 -0.161 1.00 63.44 H new ATOM 0 HD12 ILE A 55 38.352 -6.679 1.545 1.00 63.44 H new ATOM 0 HD13 ILE A 55 38.962 -8.263 1.014 1.00 63.44 H new ATOM 800 N SER A 56 35.377 -11.745 2.931 1.00 20.14 N ATOM 801 CA SER A 56 34.316 -12.642 2.490 1.00 70.45 C ATOM 802 C SER A 56 32.994 -12.297 3.169 1.00 25.44 C ATOM 803 O SER A 56 32.921 -12.199 4.393 1.00 31.14 O ATOM 804 CB SER A 56 34.691 -14.096 2.787 1.00 43.54 C ATOM 805 OG SER A 56 35.348 -14.689 1.680 1.00 75.31 O ATOM 0 H SER A 56 35.518 -11.723 3.941 1.00 20.14 H new ATOM 0 HA SER A 56 34.194 -12.518 1.414 1.00 70.45 H new ATOM 0 HB2 SER A 56 35.339 -14.136 3.663 1.00 43.54 H new ATOM 0 HB3 SER A 56 33.793 -14.665 3.028 1.00 43.54 H new ATOM 0 HG SER A 56 35.579 -15.617 1.895 1.00 75.31 H new ATOM 811 N ASN A 57 31.952 -12.115 2.365 1.00 44.42 N ATOM 812 CA ASN A 57 30.633 -11.780 2.888 1.00 53.24 C ATOM 813 C ASN A 57 29.540 -12.169 1.896 1.00 22.24 C ATOM 814 O ASN A 57 28.620 -11.395 1.636 1.00 34.11 O ATOM 815 CB ASN A 57 30.548 -10.283 3.196 1.00 72.55 C ATOM 816 CG ASN A 57 31.258 -9.438 2.156 1.00 22.01 C ATOM 817 OD1 ASN A 57 32.482 -9.307 2.177 1.00 22.41 O ATOM 818 ND2 ASN A 57 30.491 -8.859 1.240 1.00 40.21 N ATOM 0 H ASN A 57 31.995 -12.194 1.349 1.00 44.42 H new ATOM 0 HA ASN A 57 30.481 -12.343 3.809 1.00 53.24 H new ATOM 0 HB2 ASN A 57 29.501 -9.985 3.250 1.00 72.55 H new ATOM 0 HB3 ASN A 57 30.985 -10.091 4.176 1.00 72.55 H new ATOM 0 HD21 ASN A 57 30.912 -8.278 0.515 1.00 40.21 H new ATOM 0 HD22 ASN A 57 29.480 -8.995 1.261 1.00 40.21 H new ATOM 825 N ALA A 58 29.649 -13.375 1.347 1.00 3.53 N ATOM 826 CA ALA A 58 28.670 -13.868 0.387 1.00 31.02 C ATOM 827 C ALA A 58 27.944 -15.096 0.926 1.00 71.23 C ATOM 828 O ALA A 58 26.877 -15.464 0.434 1.00 51.41 O ATOM 829 CB ALA A 58 29.345 -14.190 -0.937 1.00 64.54 C ATOM 0 H ALA A 58 30.406 -14.028 1.551 1.00 3.53 H new ATOM 0 HA ALA A 58 27.931 -13.084 0.223 1.00 31.02 H new ATOM 0 HB1 ALA A 58 28.602 -14.557 -1.645 1.00 64.54 H new ATOM 0 HB2 ALA A 58 29.812 -13.289 -1.336 1.00 64.54 H new ATOM 0 HB3 ALA A 58 30.106 -14.955 -0.781 1.00 64.54 H new ATOM 835 N SER A 59 28.530 -15.728 1.938 1.00 15.42 N ATOM 836 CA SER A 59 27.940 -16.918 2.540 1.00 2.35 C ATOM 837 C SER A 59 26.614 -16.584 3.218 1.00 65.02 C ATOM 838 O SER A 59 25.645 -17.335 3.113 1.00 31.40 O ATOM 839 CB SER A 59 28.905 -17.532 3.557 1.00 51.31 C ATOM 840 OG SER A 59 29.365 -18.799 3.122 1.00 65.13 O ATOM 0 H SER A 59 29.412 -15.436 2.358 1.00 15.42 H new ATOM 0 HA SER A 59 27.750 -17.641 1.746 1.00 2.35 H new ATOM 0 HB2 SER A 59 29.754 -16.865 3.706 1.00 51.31 H new ATOM 0 HB3 SER A 59 28.406 -17.634 4.521 1.00 51.31 H new ATOM 0 HG SER A 59 29.981 -19.170 3.788 1.00 65.13 H new ATOM 846 N ASP A 60 26.581 -15.452 3.912 1.00 32.13 N ATOM 847 CA ASP A 60 25.375 -15.017 4.607 1.00 55.23 C ATOM 848 C ASP A 60 25.571 -13.635 5.222 1.00 13.22 C ATOM 849 O ASP A 60 26.542 -12.942 4.920 1.00 41.13 O ATOM 850 CB ASP A 60 24.995 -16.024 5.694 1.00 54.54 C ATOM 851 CG ASP A 60 23.523 -16.388 5.657 1.00 44.32 C ATOM 852 OD1 ASP A 60 22.692 -15.534 6.030 1.00 71.21 O ATOM 853 OD2 ASP A 60 23.204 -17.526 5.256 1.00 75.54 O ATOM 0 H ASP A 60 27.375 -14.819 4.008 1.00 32.13 H new ATOM 0 HA ASP A 60 24.566 -14.959 3.878 1.00 55.23 H new ATOM 0 HB2 ASP A 60 25.593 -16.927 5.573 1.00 54.54 H new ATOM 0 HB3 ASP A 60 25.239 -15.608 6.672 1.00 54.54 H new ATOM 858 N SER A 61 24.641 -13.240 6.086 1.00 20.03 N ATOM 859 CA SER A 61 24.709 -11.939 6.741 1.00 50.33 C ATOM 860 C SER A 61 26.085 -11.713 7.359 1.00 44.32 C ATOM 861 O SER A 61 26.792 -10.769 7.002 1.00 33.01 O ATOM 862 CB SER A 61 23.629 -11.829 7.819 1.00 60.32 C ATOM 863 OG SER A 61 24.125 -11.175 8.973 1.00 5.24 O ATOM 0 H SER A 61 23.832 -13.802 6.349 1.00 20.03 H new ATOM 0 HA SER A 61 24.538 -11.171 5.986 1.00 50.33 H new ATOM 0 HB2 SER A 61 22.773 -11.280 7.426 1.00 60.32 H new ATOM 0 HB3 SER A 61 23.274 -12.825 8.086 1.00 60.32 H new ATOM 0 HG SER A 61 23.790 -10.254 8.997 1.00 5.24 H new ATOM 869 N HIS A 62 26.460 -12.586 8.288 1.00 3.24 N ATOM 870 CA HIS A 62 27.753 -12.483 8.957 1.00 14.00 C ATOM 871 C HIS A 62 28.894 -12.549 7.947 1.00 72.24 C ATOM 872 O HIS A 62 28.898 -13.396 7.055 1.00 61.44 O ATOM 873 CB HIS A 62 27.906 -13.599 9.991 1.00 52.01 C ATOM 874 CG HIS A 62 28.150 -14.947 9.385 1.00 4.24 C ATOM 875 ND1 HIS A 62 27.139 -15.748 8.898 1.00 2.14 N ATOM 876 CD2 HIS A 62 29.300 -15.633 9.188 1.00 63.20 C ATOM 877 CE1 HIS A 62 27.656 -16.869 8.429 1.00 23.42 C ATOM 878 NE2 HIS A 62 28.966 -16.825 8.593 1.00 42.45 N ATOM 0 H HIS A 62 25.888 -13.373 8.595 1.00 3.24 H new ATOM 0 HA HIS A 62 27.796 -11.519 9.465 1.00 14.00 H new ATOM 0 HB2 HIS A 62 28.733 -13.354 10.658 1.00 52.01 H new ATOM 0 HB3 HIS A 62 27.005 -13.642 10.603 1.00 52.01 H new ATOM 0 HD2 HIS A 62 30.295 -15.304 9.450 1.00 63.20 H new ATOM 0 HE1 HIS A 62 27.102 -17.684 7.986 1.00 23.42 H new ATOM 0 HE2 HIS A 62 29.623 -17.557 8.322 1.00 42.45 H new ATOM 886 N GLY A 63 29.861 -11.648 8.093 1.00 33.20 N ATOM 887 CA GLY A 63 30.993 -11.621 7.186 1.00 61.31 C ATOM 888 C GLY A 63 32.250 -12.194 7.810 1.00 0.13 C ATOM 889 O GLY A 63 32.542 -11.941 8.980 1.00 40.10 O ATOM 0 H GLY A 63 29.880 -10.936 8.823 1.00 33.20 H new ATOM 0 HA2 GLY A 63 30.748 -12.186 6.287 1.00 61.31 H new ATOM 0 HA3 GLY A 63 31.181 -10.593 6.875 1.00 61.31 H new ATOM 893 N LEU A 64 32.996 -12.969 7.031 1.00 73.03 N ATOM 894 CA LEU A 64 34.228 -13.581 7.515 1.00 62.34 C ATOM 895 C LEU A 64 35.450 -12.873 6.939 1.00 5.13 C ATOM 896 O LEU A 64 35.856 -13.134 5.807 1.00 21.53 O ATOM 897 CB LEU A 64 34.263 -15.065 7.144 1.00 24.15 C ATOM 898 CG LEU A 64 33.772 -15.418 5.740 1.00 34.44 C ATOM 899 CD1 LEU A 64 34.753 -16.354 5.051 1.00 53.11 C ATOM 900 CD2 LEU A 64 32.387 -16.046 5.803 1.00 71.45 C ATOM 0 H LEU A 64 32.769 -13.189 6.061 1.00 73.03 H new ATOM 0 HA LEU A 64 34.252 -13.483 8.600 1.00 62.34 H new ATOM 0 HB2 LEU A 64 35.288 -15.421 7.249 1.00 24.15 H new ATOM 0 HB3 LEU A 64 33.659 -15.614 7.867 1.00 24.15 H new ATOM 0 HG LEU A 64 33.707 -14.500 5.156 1.00 34.44 H new ATOM 0 HD11 LEU A 64 34.387 -16.594 4.053 1.00 53.11 H new ATOM 0 HD12 LEU A 64 35.726 -15.869 4.973 1.00 53.11 H new ATOM 0 HD13 LEU A 64 34.850 -17.271 5.632 1.00 53.11 H new ATOM 0 HD21 LEU A 64 32.052 -16.291 4.795 1.00 71.45 H new ATOM 0 HD22 LEU A 64 32.427 -16.955 6.403 1.00 71.45 H new ATOM 0 HD23 LEU A 64 31.689 -15.342 6.256 1.00 71.45 H new ATOM 912 N ALA A 65 36.034 -11.976 7.728 1.00 60.31 N ATOM 913 CA ALA A 65 37.212 -11.234 7.299 1.00 45.53 C ATOM 914 C ALA A 65 38.486 -12.037 7.540 1.00 72.25 C ATOM 915 O ALA A 65 38.733 -12.509 8.649 1.00 11.13 O ATOM 916 CB ALA A 65 37.285 -9.896 8.021 1.00 64.31 C ATOM 0 H ALA A 65 35.710 -11.746 8.667 1.00 60.31 H new ATOM 0 HA ALA A 65 37.126 -11.053 6.228 1.00 45.53 H new ATOM 0 HB1 ALA A 65 38.170 -9.352 7.691 1.00 64.31 H new ATOM 0 HB2 ALA A 65 36.394 -9.311 7.794 1.00 64.31 H new ATOM 0 HB3 ALA A 65 37.343 -10.065 9.096 1.00 64.31 H new ATOM 922 N SER A 66 39.291 -12.190 6.493 1.00 53.22 N ATOM 923 CA SER A 66 40.537 -12.941 6.590 1.00 51.21 C ATOM 924 C SER A 66 41.741 -12.020 6.418 1.00 10.42 C ATOM 925 O SER A 66 42.004 -11.519 5.324 1.00 2.34 O ATOM 926 CB SER A 66 40.573 -14.048 5.535 1.00 62.20 C ATOM 927 OG SER A 66 41.769 -14.803 5.629 1.00 34.43 O ATOM 0 H SER A 66 39.102 -11.804 5.568 1.00 53.22 H new ATOM 0 HA SER A 66 40.585 -13.392 7.581 1.00 51.21 H new ATOM 0 HB2 SER A 66 39.713 -14.705 5.664 1.00 62.20 H new ATOM 0 HB3 SER A 66 40.493 -13.610 4.540 1.00 62.20 H new ATOM 0 HG SER A 66 41.767 -15.505 4.945 1.00 34.43 H new ATOM 933 N THR A 67 42.470 -11.800 7.508 1.00 64.11 N ATOM 934 CA THR A 67 43.646 -10.939 7.480 1.00 12.11 C ATOM 935 C THR A 67 44.891 -11.693 7.934 1.00 54.24 C ATOM 936 O THR A 67 44.881 -12.363 8.967 1.00 71.31 O ATOM 937 CB THR A 67 43.456 -9.700 8.375 1.00 55.41 C ATOM 938 OG1 THR A 67 44.699 -9.003 8.518 1.00 75.20 O ATOM 939 CG2 THR A 67 42.931 -10.098 9.746 1.00 14.41 C ATOM 0 H THR A 67 42.266 -12.206 8.421 1.00 64.11 H new ATOM 0 HA THR A 67 43.777 -10.616 6.447 1.00 12.11 H new ATOM 0 HB THR A 67 42.726 -9.045 7.900 1.00 55.41 H new ATOM 0 HG1 THR A 67 44.569 -8.216 9.087 1.00 75.20 H new ATOM 0 HG21 THR A 67 42.805 -9.206 10.360 1.00 14.41 H new ATOM 0 HG22 THR A 67 41.971 -10.602 9.636 1.00 14.41 H new ATOM 0 HG23 THR A 67 43.641 -10.772 10.226 1.00 14.41 H new ATOM 947 N LEU A 68 45.962 -11.579 7.156 1.00 14.21 N ATOM 948 CA LEU A 68 47.216 -12.250 7.479 1.00 42.33 C ATOM 949 C LEU A 68 48.411 -11.375 7.113 1.00 1.01 C ATOM 950 O LEU A 68 49.176 -11.700 6.206 1.00 2.12 O ATOM 951 CB LEU A 68 47.305 -13.588 6.743 1.00 24.04 C ATOM 952 CG LEU A 68 48.184 -14.655 7.396 1.00 25.33 C ATOM 953 CD1 LEU A 68 47.514 -16.018 7.321 1.00 31.23 C ATOM 954 CD2 LEU A 68 49.554 -14.696 6.735 1.00 44.21 C ATOM 0 H LEU A 68 45.987 -11.029 6.298 1.00 14.21 H new ATOM 0 HA LEU A 68 47.237 -12.431 8.554 1.00 42.33 H new ATOM 0 HB2 LEU A 68 46.297 -13.990 6.638 1.00 24.04 H new ATOM 0 HB3 LEU A 68 47.680 -13.402 5.737 1.00 24.04 H new ATOM 0 HG LEU A 68 48.317 -14.395 8.446 1.00 25.33 H new ATOM 0 HD11 LEU A 68 48.154 -16.765 7.791 1.00 31.23 H new ATOM 0 HD12 LEU A 68 46.557 -15.982 7.841 1.00 31.23 H new ATOM 0 HD13 LEU A 68 47.350 -16.286 6.277 1.00 31.23 H new ATOM 0 HD21 LEU A 68 50.166 -15.461 7.213 1.00 44.21 H new ATOM 0 HD22 LEU A 68 49.440 -14.931 5.677 1.00 44.21 H new ATOM 0 HD23 LEU A 68 50.038 -13.725 6.841 1.00 44.21 H new ATOM 966 N ASN A 69 48.566 -10.265 7.827 1.00 14.41 N ATOM 967 CA ASN A 69 49.669 -9.344 7.579 1.00 52.42 C ATOM 968 C ASN A 69 50.347 -8.942 8.885 1.00 33.02 C ATOM 969 O ASN A 69 49.887 -9.300 9.969 1.00 24.42 O ATOM 970 CB ASN A 69 49.165 -8.097 6.848 1.00 23.13 C ATOM 971 CG ASN A 69 48.277 -7.233 7.723 1.00 24.42 C ATOM 972 OD1 ASN A 69 48.650 -6.122 8.099 1.00 52.31 O ATOM 973 ND2 ASN A 69 47.096 -7.743 8.052 1.00 11.31 N ATOM 0 H ASN A 69 47.942 -9.981 8.582 1.00 14.41 H new ATOM 0 HA ASN A 69 50.401 -9.854 6.953 1.00 52.42 H new ATOM 0 HB2 ASN A 69 50.018 -7.509 6.508 1.00 23.13 H new ATOM 0 HB3 ASN A 69 48.611 -8.399 5.959 1.00 23.13 H new ATOM 0 HD21 ASN A 69 46.456 -7.209 8.640 1.00 11.31 H new ATOM 0 HD22 ASN A 69 46.829 -8.669 7.717 1.00 11.31 H new ATOM 980 N GLN A 70 51.441 -8.196 8.773 1.00 51.12 N ATOM 981 CA GLN A 70 52.182 -7.746 9.945 1.00 12.22 C ATOM 982 C GLN A 70 52.117 -6.228 10.080 1.00 24.13 C ATOM 983 O GLN A 70 53.062 -5.523 9.727 1.00 13.24 O ATOM 984 CB GLN A 70 53.640 -8.201 9.859 1.00 53.30 C ATOM 985 CG GLN A 70 53.864 -9.621 10.352 1.00 70.23 C ATOM 986 CD GLN A 70 55.330 -10.005 10.377 1.00 23.41 C ATOM 987 OE1 GLN A 70 56.119 -9.438 11.133 1.00 25.23 O ATOM 988 NE2 GLN A 70 55.703 -10.974 9.549 1.00 43.34 N ATOM 0 H GLN A 70 51.834 -7.890 7.883 1.00 51.12 H new ATOM 0 HA GLN A 70 51.722 -8.191 10.827 1.00 12.22 H new ATOM 0 HB2 GLN A 70 53.974 -8.128 8.824 1.00 53.30 H new ATOM 0 HB3 GLN A 70 54.259 -7.520 10.443 1.00 53.30 H new ATOM 0 HG2 GLN A 70 53.448 -9.723 11.354 1.00 70.23 H new ATOM 0 HG3 GLN A 70 53.321 -10.315 9.710 1.00 70.23 H new ATOM 0 HE21 GLN A 70 55.015 -11.417 8.939 1.00 43.34 H new ATOM 0 HE22 GLN A 70 56.677 -11.276 9.523 1.00 43.34 H new ATOM 997 N GLY A 71 50.996 -5.731 10.594 1.00 71.34 N ATOM 998 CA GLY A 71 50.829 -4.300 10.766 1.00 60.04 C ATOM 999 C GLY A 71 49.407 -3.922 11.129 1.00 51.42 C ATOM 1000 O GLY A 71 48.840 -4.454 12.082 1.00 3.23 O ATOM 0 H GLY A 71 50.200 -6.294 10.894 1.00 71.34 H new ATOM 0 HA2 GLY A 71 51.505 -3.950 11.546 1.00 60.04 H new ATOM 0 HA3 GLY A 71 51.113 -3.791 9.845 1.00 60.04 H new ATOM 1004 N ASN A 72 48.829 -2.998 10.367 1.00 21.04 N ATOM 1005 CA ASN A 72 47.465 -2.547 10.616 1.00 54.11 C ATOM 1006 C ASN A 72 46.646 -2.556 9.329 1.00 73.54 C ATOM 1007 O ASN A 72 47.127 -2.149 8.271 1.00 73.50 O ATOM 1008 CB ASN A 72 47.472 -1.141 11.218 1.00 10.45 C ATOM 1009 CG ASN A 72 47.709 -0.066 10.175 1.00 13.22 C ATOM 1010 OD1 ASN A 72 48.848 0.211 9.800 1.00 23.14 O ATOM 1011 ND2 ASN A 72 46.630 0.546 9.701 1.00 13.21 N ATOM 0 H ASN A 72 49.284 -2.548 9.573 1.00 21.04 H new ATOM 0 HA ASN A 72 47.005 -3.236 11.324 1.00 54.11 H new ATOM 0 HB2 ASN A 72 46.520 -0.957 11.715 1.00 10.45 H new ATOM 0 HB3 ASN A 72 48.247 -1.080 11.982 1.00 10.45 H new ATOM 0 HD21 ASN A 72 46.727 1.278 8.997 1.00 13.21 H new ATOM 0 HD22 ASN A 72 45.705 0.284 10.041 1.00 13.21 H new ATOM 1018 N VAL A 73 45.405 -3.023 9.426 1.00 30.54 N ATOM 1019 CA VAL A 73 44.518 -3.085 8.271 1.00 51.30 C ATOM 1020 C VAL A 73 43.124 -2.576 8.621 1.00 72.50 C ATOM 1021 O VAL A 73 42.591 -2.878 9.689 1.00 75.21 O ATOM 1022 CB VAL A 73 44.407 -4.520 7.724 1.00 33.31 C ATOM 1023 CG1 VAL A 73 45.784 -5.073 7.391 1.00 20.11 C ATOM 1024 CG2 VAL A 73 43.691 -5.417 8.723 1.00 13.52 C ATOM 0 H VAL A 73 44.991 -3.364 10.294 1.00 30.54 H new ATOM 0 HA VAL A 73 44.953 -2.445 7.503 1.00 51.30 H new ATOM 0 HB VAL A 73 43.820 -4.496 6.806 1.00 33.31 H new ATOM 0 HG11 VAL A 73 45.685 -6.088 7.006 1.00 20.11 H new ATOM 0 HG12 VAL A 73 46.256 -4.443 6.637 1.00 20.11 H new ATOM 0 HG13 VAL A 73 46.399 -5.085 8.291 1.00 20.11 H new ATOM 0 HG21 VAL A 73 43.621 -6.427 8.320 1.00 13.52 H new ATOM 0 HG22 VAL A 73 44.249 -5.437 9.659 1.00 13.52 H new ATOM 0 HG23 VAL A 73 42.689 -5.030 8.907 1.00 13.52 H new ATOM 1034 N LYS A 74 42.537 -1.803 7.714 1.00 60.12 N ATOM 1035 CA LYS A 74 41.203 -1.253 7.924 1.00 22.01 C ATOM 1036 C LYS A 74 40.237 -1.744 6.851 1.00 51.54 C ATOM 1037 O LYS A 74 40.396 -1.433 5.670 1.00 74.52 O ATOM 1038 CB LYS A 74 41.253 0.277 7.920 1.00 63.52 C ATOM 1039 CG LYS A 74 40.251 0.921 8.862 1.00 73.44 C ATOM 1040 CD LYS A 74 38.899 1.107 8.194 1.00 54.31 C ATOM 1041 CE LYS A 74 37.790 1.286 9.220 1.00 2.30 C ATOM 1042 NZ LYS A 74 37.474 2.723 9.450 1.00 41.30 N ATOM 0 H LYS A 74 42.965 -1.543 6.825 1.00 60.12 H new ATOM 0 HA LYS A 74 40.844 -1.596 8.895 1.00 22.01 H new ATOM 0 HB2 LYS A 74 42.257 0.600 8.195 1.00 63.52 H new ATOM 0 HB3 LYS A 74 41.069 0.635 6.907 1.00 63.52 H new ATOM 0 HG2 LYS A 74 40.136 0.302 9.752 1.00 73.44 H new ATOM 0 HG3 LYS A 74 40.631 1.888 9.193 1.00 73.44 H new ATOM 0 HD2 LYS A 74 38.933 1.977 7.538 1.00 54.31 H new ATOM 0 HD3 LYS A 74 38.680 0.243 7.567 1.00 54.31 H new ATOM 0 HE2 LYS A 74 36.894 0.767 8.880 1.00 2.30 H new ATOM 0 HE3 LYS A 74 38.088 0.825 10.161 1.00 2.30 H new ATOM 0 HZ1 LYS A 74 36.714 2.803 10.155 1.00 41.30 H new ATOM 0 HZ2 LYS A 74 38.322 3.214 9.798 1.00 41.30 H new ATOM 0 HZ3 LYS A 74 37.165 3.158 8.557 1.00 41.30 H new ATOM 1056 N VAL A 75 39.234 -2.510 7.269 1.00 43.24 N ATOM 1057 CA VAL A 75 38.241 -3.041 6.343 1.00 13.21 C ATOM 1058 C VAL A 75 37.017 -2.134 6.271 1.00 61.31 C ATOM 1059 O VAL A 75 36.357 -1.881 7.279 1.00 31.23 O ATOM 1060 CB VAL A 75 37.793 -4.457 6.752 1.00 44.13 C ATOM 1061 CG1 VAL A 75 36.910 -5.069 5.675 1.00 21.44 C ATOM 1062 CG2 VAL A 75 39.002 -5.339 7.026 1.00 4.52 C ATOM 0 H VAL A 75 39.088 -2.776 8.243 1.00 43.24 H new ATOM 0 HA VAL A 75 38.715 -3.087 5.362 1.00 13.21 H new ATOM 0 HB VAL A 75 37.209 -4.384 7.669 1.00 44.13 H new ATOM 0 HG11 VAL A 75 36.603 -6.069 5.981 1.00 21.44 H new ATOM 0 HG12 VAL A 75 36.027 -4.446 5.531 1.00 21.44 H new ATOM 0 HG13 VAL A 75 37.467 -5.131 4.740 1.00 21.44 H new ATOM 0 HG21 VAL A 75 38.668 -6.336 7.314 1.00 4.52 H new ATOM 0 HG22 VAL A 75 39.614 -5.407 6.127 1.00 4.52 H new ATOM 0 HG23 VAL A 75 39.592 -4.907 7.834 1.00 4.52 H new ATOM 1072 N THR A 76 36.718 -1.647 5.071 1.00 62.04 N ATOM 1073 CA THR A 76 35.574 -0.768 4.866 1.00 41.22 C ATOM 1074 C THR A 76 34.618 -1.343 3.827 1.00 11.41 C ATOM 1075 O THR A 76 35.033 -1.731 2.736 1.00 73.23 O ATOM 1076 CB THR A 76 36.018 0.637 4.416 1.00 25.11 C ATOM 1077 OG1 THR A 76 36.801 0.544 3.221 1.00 60.25 O ATOM 1078 CG2 THR A 76 36.828 1.323 5.506 1.00 41.10 C ATOM 0 H THR A 76 37.253 -1.847 4.226 1.00 62.04 H new ATOM 0 HA THR A 76 35.061 -0.689 5.824 1.00 41.22 H new ATOM 0 HB THR A 76 35.125 1.231 4.220 1.00 25.11 H new ATOM 0 HG1 THR A 76 36.565 -0.276 2.738 1.00 60.25 H new ATOM 0 HG21 THR A 76 37.131 2.313 5.166 1.00 41.10 H new ATOM 0 HG22 THR A 76 36.220 1.418 6.406 1.00 41.10 H new ATOM 0 HG23 THR A 76 37.715 0.729 5.729 1.00 41.10 H new ATOM 1086 N ALA A 77 33.336 -1.393 4.174 1.00 71.13 N ATOM 1087 CA ALA A 77 32.320 -1.918 3.270 1.00 62.14 C ATOM 1088 C ALA A 77 31.041 -1.092 3.342 1.00 15.03 C ATOM 1089 O ALA A 77 30.766 -0.443 4.352 1.00 50.15 O ATOM 1090 CB ALA A 77 32.029 -3.376 3.593 1.00 74.01 C ATOM 0 H ALA A 77 32.976 -1.076 5.074 1.00 71.13 H new ATOM 0 HA ALA A 77 32.706 -1.853 2.253 1.00 62.14 H new ATOM 0 HB1 ALA A 77 31.269 -3.755 2.910 1.00 74.01 H new ATOM 0 HB2 ALA A 77 32.941 -3.962 3.482 1.00 74.01 H new ATOM 0 HB3 ALA A 77 31.669 -3.457 4.619 1.00 74.01 H new ATOM 1096 N SER A 78 30.261 -1.120 2.266 1.00 63.32 N ATOM 1097 CA SER A 78 29.012 -0.370 2.206 1.00 24.03 C ATOM 1098 C SER A 78 27.918 -1.190 1.530 1.00 52.11 C ATOM 1099 O SER A 78 28.164 -1.873 0.535 1.00 10.13 O ATOM 1100 CB SER A 78 29.219 0.946 1.453 1.00 34.35 C ATOM 1101 OG SER A 78 28.527 2.009 2.085 1.00 35.33 O ATOM 0 H SER A 78 30.472 -1.654 1.423 1.00 63.32 H new ATOM 0 HA SER A 78 28.699 -0.151 3.227 1.00 24.03 H new ATOM 0 HB2 SER A 78 30.283 1.178 1.405 1.00 34.35 H new ATOM 0 HB3 SER A 78 28.869 0.840 0.426 1.00 34.35 H new ATOM 0 HG SER A 78 28.676 2.839 1.586 1.00 35.33 H new ATOM 1107 N ILE A 79 26.709 -1.117 2.077 1.00 42.21 N ATOM 1108 CA ILE A 79 25.576 -1.851 1.527 1.00 45.34 C ATOM 1109 C ILE A 79 24.323 -0.983 1.493 1.00 0.11 C ATOM 1110 O ILE A 79 23.808 -0.578 2.534 1.00 35.02 O ATOM 1111 CB ILE A 79 25.283 -3.125 2.340 1.00 60.55 C ATOM 1112 CG1 ILE A 79 24.009 -3.801 1.828 1.00 61.02 C ATOM 1113 CG2 ILE A 79 25.155 -2.793 3.819 1.00 41.34 C ATOM 1114 CD1 ILE A 79 24.056 -4.141 0.355 1.00 55.15 C ATOM 0 H ILE A 79 26.489 -0.557 2.901 1.00 42.21 H new ATOM 0 HA ILE A 79 25.847 -2.134 0.510 1.00 45.34 H new ATOM 0 HB ILE A 79 26.115 -3.817 2.214 1.00 60.55 H new ATOM 0 HG12 ILE A 79 23.838 -4.714 2.398 1.00 61.02 H new ATOM 0 HG13 ILE A 79 23.159 -3.145 2.014 1.00 61.02 H new ATOM 0 HG21 ILE A 79 24.948 -3.704 4.380 1.00 41.34 H new ATOM 0 HG22 ILE A 79 26.086 -2.352 4.175 1.00 41.34 H new ATOM 0 HG23 ILE A 79 24.339 -2.085 3.964 1.00 41.34 H new ATOM 0 HD11 ILE A 79 23.121 -4.617 0.061 1.00 55.15 H new ATOM 0 HD12 ILE A 79 24.196 -3.229 -0.225 1.00 55.15 H new ATOM 0 HD13 ILE A 79 24.885 -4.823 0.165 1.00 55.15 H new ATOM 1126 N GLY A 80 23.836 -0.702 0.288 1.00 21.01 N ATOM 1127 CA GLY A 80 22.646 0.115 0.141 1.00 74.31 C ATOM 1128 C GLY A 80 22.815 1.499 0.734 1.00 3.21 C ATOM 1129 O GLY A 80 23.494 2.349 0.160 1.00 50.44 O ATOM 0 H GLY A 80 24.245 -1.026 -0.589 1.00 21.01 H new ATOM 0 HA2 GLY A 80 22.399 0.204 -0.917 1.00 74.31 H new ATOM 0 HA3 GLY A 80 21.805 -0.383 0.624 1.00 74.31 H new ATOM 1133 N GLY A 81 22.195 1.727 1.888 1.00 41.40 N ATOM 1134 CA GLY A 81 22.292 3.021 2.539 1.00 32.30 C ATOM 1135 C GLY A 81 23.431 3.084 3.537 1.00 61.22 C ATOM 1136 O GLY A 81 24.567 3.392 3.173 1.00 34.35 O ATOM 0 H GLY A 81 21.628 1.039 2.384 1.00 41.40 H new ATOM 0 HA2 GLY A 81 22.431 3.795 1.784 1.00 32.30 H new ATOM 0 HA3 GLY A 81 21.354 3.239 3.049 1.00 32.30 H new ATOM 1140 N ILE A 82 23.128 2.793 4.798 1.00 41.35 N ATOM 1141 CA ILE A 82 24.136 2.819 5.850 1.00 11.23 C ATOM 1142 C ILE A 82 25.357 1.992 5.463 1.00 33.41 C ATOM 1143 O ILE A 82 25.240 0.988 4.760 1.00 2.13 O ATOM 1144 CB ILE A 82 23.572 2.290 7.182 1.00 23.03 C ATOM 1145 CG1 ILE A 82 22.303 3.055 7.564 1.00 60.52 C ATOM 1146 CG2 ILE A 82 24.617 2.405 8.282 1.00 20.43 C ATOM 1147 CD1 ILE A 82 22.506 4.550 7.665 1.00 51.12 C ATOM 0 H ILE A 82 22.193 2.537 5.115 1.00 41.35 H new ATOM 0 HA ILE A 82 24.432 3.860 5.978 1.00 11.23 H new ATOM 0 HB ILE A 82 23.316 1.238 7.059 1.00 23.03 H new ATOM 0 HG12 ILE A 82 21.529 2.851 6.824 1.00 60.52 H new ATOM 0 HG13 ILE A 82 21.937 2.681 8.520 1.00 60.52 H new ATOM 0 HG21 ILE A 82 24.204 2.027 9.217 1.00 20.43 H new ATOM 0 HG22 ILE A 82 25.496 1.820 8.011 1.00 20.43 H new ATOM 0 HG23 ILE A 82 24.901 3.450 8.407 1.00 20.43 H new ATOM 0 HD11 ILE A 82 21.565 5.027 7.939 1.00 51.12 H new ATOM 0 HD12 ILE A 82 23.257 4.765 8.425 1.00 51.12 H new ATOM 0 HD13 ILE A 82 22.843 4.937 6.703 1.00 51.12 H new ATOM 1159 N GLN A 83 26.526 2.419 5.928 1.00 22.22 N ATOM 1160 CA GLN A 83 27.769 1.716 5.631 1.00 33.02 C ATOM 1161 C GLN A 83 28.411 1.182 6.907 1.00 13.15 C ATOM 1162 O GLN A 83 28.086 1.623 8.009 1.00 13.01 O ATOM 1163 CB GLN A 83 28.744 2.645 4.906 1.00 72.34 C ATOM 1164 CG GLN A 83 29.378 3.688 5.811 1.00 10.21 C ATOM 1165 CD GLN A 83 29.752 4.956 5.068 1.00 22.42 C ATOM 1166 OE1 GLN A 83 29.315 6.050 5.425 1.00 41.10 O ATOM 1167 NE2 GLN A 83 30.566 4.814 4.028 1.00 13.32 N ATOM 0 H GLN A 83 26.639 3.248 6.512 1.00 22.22 H new ATOM 0 HA GLN A 83 27.533 0.871 4.984 1.00 33.02 H new ATOM 0 HB2 GLN A 83 29.532 2.046 4.449 1.00 72.34 H new ATOM 0 HB3 GLN A 83 28.217 3.150 4.097 1.00 72.34 H new ATOM 0 HG2 GLN A 83 28.686 3.934 6.616 1.00 10.21 H new ATOM 0 HG3 GLN A 83 30.270 3.267 6.275 1.00 10.21 H new ATOM 0 HE21 GLN A 83 30.904 3.888 3.768 1.00 13.32 H new ATOM 0 HE22 GLN A 83 30.853 5.631 3.490 1.00 13.32 H new ATOM 1176 N GLY A 84 29.324 0.229 6.751 1.00 65.03 N ATOM 1177 CA GLY A 84 29.997 -0.350 7.899 1.00 2.30 C ATOM 1178 C GLY A 84 31.501 -0.168 7.842 1.00 20.41 C ATOM 1179 O GLY A 84 32.095 -0.187 6.764 1.00 30.01 O ATOM 0 H GLY A 84 29.610 -0.153 5.849 1.00 65.03 H new ATOM 0 HA2 GLY A 84 29.613 0.108 8.811 1.00 2.30 H new ATOM 0 HA3 GLY A 84 29.765 -1.414 7.954 1.00 2.30 H new ATOM 1183 N SER A 85 32.119 0.009 9.006 1.00 54.13 N ATOM 1184 CA SER A 85 33.562 0.200 9.084 1.00 41.35 C ATOM 1185 C SER A 85 34.136 -0.489 10.318 1.00 14.31 C ATOM 1186 O SER A 85 33.583 -0.387 11.414 1.00 3.11 O ATOM 1187 CB SER A 85 33.899 1.692 9.115 1.00 2.34 C ATOM 1188 OG SER A 85 32.873 2.460 8.512 1.00 55.12 O ATOM 0 H SER A 85 31.642 0.024 9.908 1.00 54.13 H new ATOM 0 HA SER A 85 34.011 -0.248 8.198 1.00 41.35 H new ATOM 0 HB2 SER A 85 34.040 2.015 10.147 1.00 2.34 H new ATOM 0 HB3 SER A 85 34.841 1.866 8.595 1.00 2.34 H new ATOM 0 HG SER A 85 33.112 3.410 8.546 1.00 55.12 H new ATOM 1194 N THR A 86 35.249 -1.192 10.132 1.00 13.44 N ATOM 1195 CA THR A 86 35.898 -1.899 11.229 1.00 73.01 C ATOM 1196 C THR A 86 37.408 -1.698 11.195 1.00 4.24 C ATOM 1197 O THR A 86 37.989 -1.456 10.137 1.00 73.53 O ATOM 1198 CB THR A 86 35.591 -3.408 11.184 1.00 41.14 C ATOM 1199 OG1 THR A 86 36.453 -4.110 12.085 1.00 24.35 O ATOM 1200 CG2 THR A 86 35.769 -3.954 9.775 1.00 33.10 C ATOM 0 H THR A 86 35.720 -1.287 9.232 1.00 13.44 H new ATOM 0 HA THR A 86 35.500 -1.482 12.154 1.00 73.01 H new ATOM 0 HB THR A 86 34.554 -3.555 11.486 1.00 41.14 H new ATOM 0 HG1 THR A 86 35.993 -4.244 12.940 1.00 24.35 H new ATOM 0 HG21 THR A 86 35.547 -5.021 9.768 1.00 33.10 H new ATOM 0 HG22 THR A 86 35.090 -3.437 9.096 1.00 33.10 H new ATOM 0 HG23 THR A 86 36.797 -3.795 9.450 1.00 33.10 H new ATOM 1208 N ASP A 87 38.040 -1.799 12.360 1.00 71.34 N ATOM 1209 CA ASP A 87 39.485 -1.630 12.463 1.00 33.11 C ATOM 1210 C ASP A 87 40.151 -2.921 12.929 1.00 10.10 C ATOM 1211 O ASP A 87 39.776 -3.491 13.954 1.00 55.32 O ATOM 1212 CB ASP A 87 39.819 -0.492 13.429 1.00 55.24 C ATOM 1213 CG ASP A 87 41.257 -0.540 13.906 1.00 73.44 C ATOM 1214 OD1 ASP A 87 41.537 -1.278 14.874 1.00 75.53 O ATOM 1215 OD2 ASP A 87 42.103 0.159 13.310 1.00 33.05 O ATOM 0 H ASP A 87 37.574 -1.997 13.246 1.00 71.34 H new ATOM 0 HA ASP A 87 39.869 -1.381 11.474 1.00 33.11 H new ATOM 0 HB2 ASP A 87 39.634 0.463 12.938 1.00 55.24 H new ATOM 0 HB3 ASP A 87 39.152 -0.542 14.290 1.00 55.24 H new ATOM 1220 N PHE A 88 41.141 -3.377 12.169 1.00 30.52 N ATOM 1221 CA PHE A 88 41.858 -4.602 12.503 1.00 64.40 C ATOM 1222 C PHE A 88 43.363 -4.352 12.563 1.00 35.43 C ATOM 1223 O PHE A 88 43.990 -4.022 11.557 1.00 72.13 O ATOM 1224 CB PHE A 88 41.552 -5.694 11.475 1.00 23.05 C ATOM 1225 CG PHE A 88 40.208 -6.336 11.665 1.00 14.24 C ATOM 1226 CD1 PHE A 88 39.822 -6.813 12.908 1.00 41.51 C ATOM 1227 CD2 PHE A 88 39.329 -6.463 10.601 1.00 5.12 C ATOM 1228 CE1 PHE A 88 38.585 -7.403 13.086 1.00 22.42 C ATOM 1229 CE2 PHE A 88 38.091 -7.052 10.774 1.00 64.45 C ATOM 1230 CZ PHE A 88 37.719 -7.524 12.017 1.00 23.32 C ATOM 0 H PHE A 88 41.465 -2.917 11.318 1.00 30.52 H new ATOM 0 HA PHE A 88 41.522 -4.933 13.486 1.00 64.40 H new ATOM 0 HB2 PHE A 88 41.602 -5.264 10.474 1.00 23.05 H new ATOM 0 HB3 PHE A 88 42.324 -6.462 11.532 1.00 23.05 H new ATOM 0 HD1 PHE A 88 40.496 -6.723 13.747 1.00 41.51 H new ATOM 0 HD2 PHE A 88 39.615 -6.098 9.626 1.00 5.12 H new ATOM 0 HE1 PHE A 88 38.296 -7.769 14.060 1.00 22.42 H new ATOM 0 HE2 PHE A 88 37.415 -7.143 9.937 1.00 64.45 H new ATOM 0 HZ PHE A 88 36.753 -7.987 12.153 1.00 23.32 H new ATOM 1240 N LYS A 89 43.935 -4.512 13.751 1.00 4.14 N ATOM 1241 CA LYS A 89 45.366 -4.305 13.946 1.00 54.22 C ATOM 1242 C LYS A 89 46.071 -5.624 14.243 1.00 31.22 C ATOM 1243 O LYS A 89 45.902 -6.201 15.317 1.00 25.35 O ATOM 1244 CB LYS A 89 45.608 -3.316 15.088 1.00 1.12 C ATOM 1245 CG LYS A 89 45.704 -1.870 14.631 1.00 32.54 C ATOM 1246 CD LYS A 89 46.876 -1.156 15.283 1.00 31.12 C ATOM 1247 CE LYS A 89 46.518 0.274 15.659 1.00 61.31 C ATOM 1248 NZ LYS A 89 47.698 1.024 16.172 1.00 53.12 N ATOM 0 H LYS A 89 43.430 -4.785 14.594 1.00 4.14 H new ATOM 0 HA LYS A 89 45.777 -3.894 13.024 1.00 54.22 H new ATOM 0 HB2 LYS A 89 44.799 -3.406 15.813 1.00 1.12 H new ATOM 0 HB3 LYS A 89 46.529 -3.587 15.603 1.00 1.12 H new ATOM 0 HG2 LYS A 89 45.814 -1.837 13.547 1.00 32.54 H new ATOM 0 HG3 LYS A 89 44.778 -1.348 14.874 1.00 32.54 H new ATOM 0 HD2 LYS A 89 47.185 -1.701 16.175 1.00 31.12 H new ATOM 0 HD3 LYS A 89 47.726 -1.152 14.601 1.00 31.12 H new ATOM 0 HE2 LYS A 89 46.112 0.788 14.788 1.00 61.31 H new ATOM 0 HE3 LYS A 89 45.735 0.265 16.418 1.00 61.31 H new ATOM 0 HZ1 LYS A 89 47.413 1.994 16.417 1.00 53.12 H new ATOM 0 HZ2 LYS A 89 48.071 0.548 17.018 1.00 53.12 H new ATOM 0 HZ3 LYS A 89 48.435 1.055 15.439 1.00 53.12 H new ATOM 1262 N VAL A 90 46.862 -6.096 13.285 1.00 25.11 N ATOM 1263 CA VAL A 90 47.596 -7.346 13.446 1.00 75.13 C ATOM 1264 C VAL A 90 49.016 -7.091 13.938 1.00 34.12 C ATOM 1265 O VAL A 90 49.855 -6.568 13.205 1.00 40.53 O ATOM 1266 CB VAL A 90 47.656 -8.135 12.124 1.00 1.02 C ATOM 1267 CG1 VAL A 90 48.251 -9.516 12.353 1.00 2.03 C ATOM 1268 CG2 VAL A 90 46.272 -8.238 11.502 1.00 32.40 C ATOM 0 H VAL A 90 47.011 -5.632 12.389 1.00 25.11 H new ATOM 0 HA VAL A 90 47.058 -7.935 14.189 1.00 75.13 H new ATOM 0 HB VAL A 90 48.302 -7.598 11.429 1.00 1.02 H new ATOM 0 HG11 VAL A 90 48.285 -10.059 11.408 1.00 2.03 H new ATOM 0 HG12 VAL A 90 49.261 -9.416 12.751 1.00 2.03 H new ATOM 0 HG13 VAL A 90 47.634 -10.065 13.064 1.00 2.03 H new ATOM 0 HG21 VAL A 90 46.333 -8.798 10.569 1.00 32.40 H new ATOM 0 HG22 VAL A 90 45.601 -8.752 12.190 1.00 32.40 H new ATOM 0 HG23 VAL A 90 45.889 -7.238 11.300 1.00 32.40 H new ATOM 1278 N THR A 91 49.279 -7.465 15.186 1.00 25.04 N ATOM 1279 CA THR A 91 50.598 -7.277 15.778 1.00 11.53 C ATOM 1280 C THR A 91 51.159 -8.594 16.301 1.00 3.21 C ATOM 1281 O THR A 91 50.418 -9.552 16.516 1.00 20.25 O ATOM 1282 CB THR A 91 50.555 -6.256 16.931 1.00 24.03 C ATOM 1283 OG1 THR A 91 49.518 -6.604 17.855 1.00 1.32 O ATOM 1284 CG2 THR A 91 50.319 -4.850 16.401 1.00 11.00 C ATOM 0 H THR A 91 48.596 -7.900 15.807 1.00 25.04 H new ATOM 0 HA THR A 91 51.247 -6.897 14.989 1.00 11.53 H new ATOM 0 HB THR A 91 51.518 -6.277 17.442 1.00 24.03 H new ATOM 0 HG1 THR A 91 49.498 -5.951 18.586 1.00 1.32 H new ATOM 0 HG21 THR A 91 50.293 -4.147 17.234 1.00 11.00 H new ATOM 0 HG22 THR A 91 51.126 -4.577 15.721 1.00 11.00 H new ATOM 0 HG23 THR A 91 49.369 -4.817 15.868 1.00 11.00 H new ATOM 1292 N GLN A 92 52.472 -8.633 16.503 1.00 23.34 N ATOM 1293 CA GLN A 92 53.132 -9.834 17.001 1.00 21.55 C ATOM 1294 C GLN A 92 54.460 -9.490 17.668 1.00 13.52 C ATOM 1295 O GLN A 92 55.001 -8.401 17.472 1.00 52.22 O ATOM 1296 CB GLN A 92 53.364 -10.825 15.859 1.00 33.44 C ATOM 1297 CG GLN A 92 54.356 -10.333 14.819 1.00 61.15 C ATOM 1298 CD GLN A 92 55.491 -11.311 14.585 1.00 34.13 C ATOM 1299 OE1 GLN A 92 56.619 -11.086 15.023 1.00 23.43 O ATOM 1300 NE2 GLN A 92 55.197 -12.405 13.892 1.00 14.03 N ATOM 0 H GLN A 92 53.099 -7.848 16.330 1.00 23.34 H new ATOM 0 HA GLN A 92 52.481 -10.293 17.745 1.00 21.55 H new ATOM 0 HB2 GLN A 92 53.722 -11.767 16.274 1.00 33.44 H new ATOM 0 HB3 GLN A 92 52.412 -11.033 15.371 1.00 33.44 H new ATOM 0 HG2 GLN A 92 53.833 -10.157 13.879 1.00 61.15 H new ATOM 0 HG3 GLN A 92 54.767 -9.375 15.139 1.00 61.15 H new ATOM 0 HE21 GLN A 92 54.248 -12.551 13.548 1.00 14.03 H new ATOM 0 HE22 GLN A 92 55.920 -13.099 13.704 1.00 14.03 H new TER 1309 GLN A 92