USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 775 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 51 SER OG : rot 78:sc= 1.62 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -179:sc= 0.839 (180deg=0.444) USER MOD Set 2.1: A 13 SER OG : rot 166:sc= 1.22 USER MOD Set 2.2: A 16 GLN : amide:sc= 1.02 X(o=2.2,f=2.3) USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.177 X(o=0.66,f=0.57) USER MOD Set 3.2: A 6 SER OG : rot -6:sc= 0.396 USER MOD Set 3.3: A 98 GLN : amide:sc= 0.445 K(o=0.66,f=0.12) USER MOD Single : A 1 SER N :NH3+ -162:sc= -0.191 (180deg=-0.928) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 4 SER OG : rot 45:sc= 0.7 USER MOD Single : A 7 SER OG : rot -76:sc= 0.997 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00329 USER MOD Single : A 20 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 27 MET CE :methyl -141:sc= 0 (180deg=-0.849) USER MOD Single : A 31 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0.028) USER MOD Single : A 36 SER OG : rot -23:sc= 0.881 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0314 K(o=-0.031,f=-3.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.25) USER MOD Single : A 65 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.95) USER MOD Single : A 66 GLN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.451 X(o=0.45,f=-0.041) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.575 K(o=0.58,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -111:sc= 0.733 (180deg=-1.14!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 25.645 43.620 -0.063 1.00 25.00 N ATOM 2 CA SER A 1 25.694 43.500 1.428 1.00 25.00 C ATOM 3 C SER A 1 24.446 44.042 2.093 1.00 25.00 C ATOM 4 O SER A 1 23.938 43.594 3.095 1.00 25.00 O ATOM 5 CB SER A 1 26.941 44.254 1.936 1.00 25.00 C ATOM 6 OG SER A 1 27.048 44.147 3.354 1.00 25.00 O ATOM 0 H1 SER A 1 26.349 42.982 -0.486 1.00 25.00 H new ATOM 0 H2 SER A 1 24.696 43.361 -0.401 1.00 25.00 H new ATOM 0 H3 SER A 1 25.856 44.600 -0.340 1.00 25.00 H new ATOM 0 HA SER A 1 25.750 42.443 1.688 1.00 25.00 H new ATOM 0 HB2 SER A 1 27.836 43.846 1.466 1.00 25.00 H new ATOM 0 HB3 SER A 1 26.880 45.304 1.648 1.00 25.00 H new ATOM 0 HG SER A 1 27.845 44.629 3.659 1.00 25.00 H new ATOM 14 N GLN A 2 23.925 45.084 1.444 1.00 25.00 N ATOM 15 CA GLN A 2 22.728 45.796 1.888 1.00 25.00 C ATOM 16 C GLN A 2 21.771 45.954 0.710 1.00 25.00 C ATOM 17 O GLN A 2 21.645 47.030 0.132 1.00 25.00 O ATOM 18 CB GLN A 2 23.108 47.164 2.469 1.00 25.00 C ATOM 19 CG GLN A 2 23.981 47.066 3.722 1.00 25.00 C ATOM 20 CD GLN A 2 24.267 48.419 4.334 1.00 25.00 C ATOM 21 OE1 GLN A 2 24.886 49.272 3.725 1.00 25.00 O ATOM 22 NE2 GLN A 2 23.825 48.613 5.551 1.00 25.00 N ATOM 0 H GLN A 2 24.327 45.461 0.586 1.00 25.00 H new ATOM 0 HA GLN A 2 22.233 45.224 2.673 1.00 25.00 H new ATOM 0 HB2 GLN A 2 23.637 47.740 1.710 1.00 25.00 H new ATOM 0 HB3 GLN A 2 22.199 47.714 2.710 1.00 25.00 H new ATOM 0 HG2 GLN A 2 23.484 46.435 4.459 1.00 25.00 H new ATOM 0 HG3 GLN A 2 24.923 46.579 3.468 1.00 25.00 H new ATOM 0 HE21 GLN A 2 23.310 47.875 6.030 1.00 25.00 H new ATOM 0 HE22 GLN A 2 23.996 49.503 6.020 1.00 25.00 H new ATOM 31 N GLN A 3 21.138 44.856 0.326 1.00 25.00 N ATOM 32 CA GLN A 3 20.217 44.839 -0.809 1.00 25.00 C ATOM 33 C GLN A 3 18.893 44.231 -0.360 1.00 25.00 C ATOM 34 O GLN A 3 18.803 43.711 0.749 1.00 25.00 O ATOM 35 CB GLN A 3 20.814 44.034 -1.969 1.00 25.00 C ATOM 36 CG GLN A 3 22.124 44.622 -2.500 1.00 25.00 C ATOM 37 CD GLN A 3 22.614 43.924 -3.752 1.00 25.00 C ATOM 38 OE1 GLN A 3 21.973 43.032 -4.271 1.00 25.00 O ATOM 39 NE2 GLN A 3 23.752 44.341 -4.243 1.00 25.00 N ATOM 0 H GLN A 3 21.245 43.953 0.788 1.00 25.00 H new ATOM 0 HA GLN A 3 20.048 45.857 -1.160 1.00 25.00 H new ATOM 0 HB2 GLN A 3 20.990 43.010 -1.639 1.00 25.00 H new ATOM 0 HB3 GLN A 3 20.089 43.987 -2.781 1.00 25.00 H new ATOM 0 HG2 GLN A 3 21.982 45.682 -2.712 1.00 25.00 H new ATOM 0 HG3 GLN A 3 22.889 44.551 -1.727 1.00 25.00 H new ATOM 0 HE21 GLN A 3 24.262 45.093 -3.780 1.00 25.00 H new ATOM 0 HE22 GLN A 3 24.129 43.915 -5.089 1.00 25.00 H new ATOM 48 N SER A 4 17.877 44.330 -1.218 1.00 25.00 N ATOM 49 CA SER A 4 16.522 43.820 -0.941 1.00 25.00 C ATOM 50 C SER A 4 15.877 44.557 0.242 1.00 25.00 C ATOM 51 O SER A 4 14.996 44.042 0.908 1.00 25.00 O ATOM 52 CB SER A 4 16.548 42.299 -0.705 1.00 25.00 C ATOM 53 OG SER A 4 15.334 41.680 -1.100 1.00 25.00 O ATOM 0 H SER A 4 17.966 44.769 -2.134 1.00 25.00 H new ATOM 0 HA SER A 4 15.906 44.014 -1.819 1.00 25.00 H new ATOM 0 HB2 SER A 4 17.377 41.860 -1.261 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.730 42.099 0.351 1.00 25.00 H new ATOM 0 HG SER A 4 15.054 42.034 -1.970 1.00 25.00 H new ATOM 59 N HIS A 5 16.313 45.785 0.486 1.00 25.00 N ATOM 60 CA HIS A 5 15.724 46.608 1.540 1.00 25.00 C ATOM 61 C HIS A 5 14.419 47.211 1.029 1.00 25.00 C ATOM 62 O HIS A 5 14.422 47.932 0.030 1.00 25.00 O ATOM 63 CB HIS A 5 16.676 47.740 1.935 1.00 25.00 C ATOM 64 CG HIS A 5 16.083 48.700 2.918 1.00 25.00 C ATOM 65 ND1 HIS A 5 16.218 48.605 4.279 1.00 25.00 N ATOM 66 CD2 HIS A 5 15.314 49.807 2.717 1.00 25.00 C ATOM 67 CE1 HIS A 5 15.552 49.612 4.836 1.00 25.00 C ATOM 68 NE2 HIS A 5 14.973 50.373 3.929 1.00 25.00 N ATOM 0 H HIS A 5 17.070 46.235 -0.028 1.00 25.00 H new ATOM 0 HA HIS A 5 15.538 45.983 2.413 1.00 25.00 H new ATOM 0 HB2 HIS A 5 17.583 47.310 2.360 1.00 25.00 H new ATOM 0 HB3 HIS A 5 16.972 48.285 1.039 1.00 25.00 H new ATOM 0 HD2 HIS A 5 15.015 50.186 1.751 1.00 25.00 H new ATOM 0 HE1 HIS A 5 15.493 49.785 5.900 1.00 25.00 H new ATOM 0 HE2 HIS A 5 14.398 51.200 4.088 1.00 25.00 H new ATOM 76 N SER A 6 13.321 46.906 1.716 1.00 25.00 N ATOM 77 CA SER A 6 11.973 47.377 1.368 1.00 25.00 C ATOM 78 C SER A 6 11.652 47.123 -0.104 1.00 25.00 C ATOM 79 O SER A 6 10.991 47.921 -0.763 1.00 25.00 O ATOM 80 CB SER A 6 11.818 48.862 1.703 1.00 25.00 C ATOM 81 OG SER A 6 12.126 49.102 3.072 1.00 25.00 O ATOM 0 H SER A 6 13.338 46.314 2.546 1.00 25.00 H new ATOM 0 HA SER A 6 11.260 46.808 1.965 1.00 25.00 H new ATOM 0 HB2 SER A 6 12.476 49.454 1.067 1.00 25.00 H new ATOM 0 HB3 SER A 6 10.798 49.183 1.492 1.00 25.00 H new ATOM 0 HG SER A 6 12.277 48.248 3.528 1.00 25.00 H new ATOM 87 N SER A 7 12.161 46.011 -0.610 1.00 25.00 N ATOM 88 CA SER A 7 12.013 45.638 -2.008 1.00 25.00 C ATOM 89 C SER A 7 12.124 44.119 -2.052 1.00 25.00 C ATOM 90 O SER A 7 12.643 43.517 -1.110 1.00 25.00 O ATOM 91 CB SER A 7 13.126 46.294 -2.836 1.00 25.00 C ATOM 92 OG SER A 7 14.376 46.188 -2.178 1.00 25.00 O ATOM 0 H SER A 7 12.692 45.337 -0.058 1.00 25.00 H new ATOM 0 HA SER A 7 11.061 45.969 -2.423 1.00 25.00 H new ATOM 0 HB2 SER A 7 13.185 45.818 -3.815 1.00 25.00 H new ATOM 0 HB3 SER A 7 12.888 47.344 -3.005 1.00 25.00 H new ATOM 0 HG SER A 7 14.418 46.841 -1.449 1.00 25.00 H new ATOM 98 N PRO A 8 11.608 43.476 -3.113 1.00 25.00 N ATOM 99 CA PRO A 8 11.698 42.014 -3.122 1.00 25.00 C ATOM 100 C PRO A 8 13.113 41.514 -3.429 1.00 25.00 C ATOM 101 O PRO A 8 14.043 42.301 -3.629 1.00 25.00 O ATOM 102 CB PRO A 8 10.715 41.629 -4.224 1.00 25.00 C ATOM 103 CG PRO A 8 10.820 42.735 -5.190 1.00 25.00 C ATOM 104 CD PRO A 8 10.924 43.972 -4.326 1.00 25.00 C ATOM 0 HA PRO A 8 11.467 41.571 -2.153 1.00 25.00 H new ATOM 0 HB2 PRO A 8 10.978 40.674 -4.679 1.00 25.00 H new ATOM 0 HB3 PRO A 8 9.700 41.530 -3.838 1.00 25.00 H new ATOM 0 HG2 PRO A 8 11.694 42.622 -5.831 1.00 25.00 H new ATOM 0 HG3 PRO A 8 9.949 42.777 -5.843 1.00 25.00 H new ATOM 0 HD2 PRO A 8 11.495 44.760 -4.817 1.00 25.00 H new ATOM 0 HD3 PRO A 8 9.943 44.386 -4.095 1.00 25.00 H new ATOM 112 N GLY A 9 13.277 40.200 -3.434 1.00 25.00 N ATOM 113 CA GLY A 9 14.574 39.598 -3.685 1.00 25.00 C ATOM 114 C GLY A 9 14.410 38.169 -4.151 1.00 25.00 C ATOM 115 O GLY A 9 15.080 37.272 -3.658 1.00 25.00 O ATOM 0 H GLY A 9 12.526 39.531 -3.267 1.00 25.00 H new ATOM 0 HA2 GLY A 9 15.110 40.174 -4.439 1.00 25.00 H new ATOM 0 HA3 GLY A 9 15.176 39.624 -2.777 1.00 25.00 H new ATOM 119 N GLU A 10 13.485 37.956 -5.074 1.00 25.00 N ATOM 120 CA GLU A 10 13.127 36.611 -5.548 1.00 25.00 C ATOM 121 C GLU A 10 14.052 36.069 -6.632 1.00 25.00 C ATOM 122 O GLU A 10 13.728 35.139 -7.357 1.00 25.00 O ATOM 123 CB GLU A 10 11.664 36.591 -6.032 1.00 25.00 C ATOM 124 CG GLU A 10 11.363 37.481 -7.256 1.00 25.00 C ATOM 125 CD GLU A 10 11.122 38.937 -6.878 1.00 25.00 C ATOM 126 OE1 GLU A 10 12.113 39.693 -6.735 1.00 25.00 O ATOM 127 OE2 GLU A 10 9.954 39.313 -6.661 1.00 25.00 O ATOM 0 H GLU A 10 12.956 38.705 -5.521 1.00 25.00 H new ATOM 0 HA GLU A 10 13.248 35.946 -4.693 1.00 25.00 H new ATOM 0 HB2 GLU A 10 11.393 35.564 -6.275 1.00 25.00 H new ATOM 0 HB3 GLU A 10 11.022 36.904 -5.209 1.00 25.00 H new ATOM 0 HG2 GLU A 10 12.197 37.425 -7.955 1.00 25.00 H new ATOM 0 HG3 GLU A 10 10.486 37.094 -7.775 1.00 25.00 H new ATOM 134 N ILE A 11 15.244 36.627 -6.666 1.00 25.00 N ATOM 135 CA ILE A 11 16.309 36.254 -7.538 1.00 25.00 C ATOM 136 C ILE A 11 17.056 35.027 -6.994 1.00 25.00 C ATOM 137 O ILE A 11 18.226 34.793 -7.292 1.00 25.00 O ATOM 138 CB ILE A 11 17.284 37.459 -7.616 1.00 25.00 C ATOM 139 CG1 ILE A 11 16.771 38.710 -6.843 1.00 25.00 C ATOM 140 CG2 ILE A 11 17.476 37.800 -9.050 1.00 25.00 C ATOM 141 CD1 ILE A 11 17.743 39.909 -6.840 1.00 25.00 C ATOM 0 H ILE A 11 15.498 37.396 -6.045 1.00 25.00 H new ATOM 0 HA ILE A 11 15.914 35.997 -8.521 1.00 25.00 H new ATOM 0 HB ILE A 11 18.222 37.169 -7.143 1.00 25.00 H new ATOM 0 HG12 ILE A 11 15.825 39.028 -7.281 1.00 25.00 H new ATOM 0 HG13 ILE A 11 16.565 38.424 -5.812 1.00 25.00 H new ATOM 0 HG21 ILE A 11 18.158 38.646 -9.135 1.00 25.00 H new ATOM 0 HG22 ILE A 11 17.895 36.942 -9.575 1.00 25.00 H new ATOM 0 HG23 ILE A 11 16.516 38.063 -9.493 1.00 25.00 H new ATOM 0 HD11 ILE A 11 17.302 40.733 -6.279 1.00 25.00 H new ATOM 0 HD12 ILE A 11 18.683 39.614 -6.374 1.00 25.00 H new ATOM 0 HD13 ILE A 11 17.931 40.228 -7.865 1.00 25.00 H new ATOM 153 N THR A 12 16.383 34.291 -6.128 1.00 25.00 N ATOM 154 CA THR A 12 16.992 33.189 -5.405 1.00 25.00 C ATOM 155 C THR A 12 17.293 32.013 -6.330 1.00 25.00 C ATOM 156 O THR A 12 16.503 31.658 -7.202 1.00 25.00 O ATOM 157 CB THR A 12 16.064 32.726 -4.254 1.00 25.00 C ATOM 158 OG1 THR A 12 14.835 32.235 -4.789 1.00 25.00 O ATOM 159 CG2 THR A 12 15.720 33.885 -3.343 1.00 25.00 C ATOM 0 H THR A 12 15.399 34.440 -5.906 1.00 25.00 H new ATOM 0 HA THR A 12 17.935 33.545 -4.990 1.00 25.00 H new ATOM 0 HB THR A 12 16.591 31.950 -3.698 1.00 25.00 H new ATOM 0 HG1 THR A 12 14.253 31.942 -4.057 1.00 25.00 H new ATOM 0 HG21 THR A 12 15.068 33.537 -2.542 1.00 25.00 H new ATOM 0 HG22 THR A 12 16.635 34.294 -2.914 1.00 25.00 H new ATOM 0 HG23 THR A 12 15.210 34.659 -3.916 1.00 25.00 H new ATOM 167 N SER A 13 18.462 31.416 -6.148 1.00 25.00 N ATOM 168 CA SER A 13 18.880 30.287 -6.967 1.00 25.00 C ATOM 169 C SER A 13 19.902 29.466 -6.204 1.00 25.00 C ATOM 170 O SER A 13 20.533 29.956 -5.273 1.00 25.00 O ATOM 171 CB SER A 13 19.494 30.782 -8.280 1.00 25.00 C ATOM 172 OG SER A 13 19.813 29.693 -9.136 1.00 25.00 O ATOM 0 H SER A 13 19.140 31.695 -5.439 1.00 25.00 H new ATOM 0 HA SER A 13 18.010 29.672 -7.197 1.00 25.00 H new ATOM 0 HB2 SER A 13 18.796 31.452 -8.782 1.00 25.00 H new ATOM 0 HB3 SER A 13 20.394 31.360 -8.070 1.00 25.00 H new ATOM 0 HG SER A 13 19.994 30.029 -10.039 1.00 25.00 H new ATOM 178 N SER A 14 20.069 28.220 -6.611 1.00 25.00 N ATOM 179 CA SER A 14 21.066 27.332 -6.016 1.00 25.00 C ATOM 180 C SER A 14 21.742 26.385 -7.026 1.00 25.00 C ATOM 181 O SER A 14 22.962 26.249 -6.987 1.00 25.00 O ATOM 182 CB SER A 14 20.450 26.535 -4.862 1.00 25.00 C ATOM 183 OG SER A 14 19.159 26.053 -5.194 1.00 25.00 O ATOM 0 H SER A 14 19.523 27.792 -7.359 1.00 25.00 H new ATOM 0 HA SER A 14 21.857 27.979 -5.637 1.00 25.00 H new ATOM 0 HB2 SER A 14 21.099 25.696 -4.611 1.00 25.00 H new ATOM 0 HB3 SER A 14 20.387 27.166 -3.976 1.00 25.00 H new ATOM 0 HG SER A 14 18.794 25.547 -4.438 1.00 25.00 H new ATOM 189 N PRO A 15 20.988 25.742 -7.957 1.00 25.00 N ATOM 190 CA PRO A 15 21.786 24.854 -8.820 1.00 25.00 C ATOM 191 C PRO A 15 22.674 25.583 -9.824 1.00 25.00 C ATOM 192 O PRO A 15 23.706 25.079 -10.222 1.00 25.00 O ATOM 193 CB PRO A 15 20.719 24.033 -9.541 1.00 25.00 C ATOM 194 CG PRO A 15 19.560 24.938 -9.633 1.00 25.00 C ATOM 195 CD PRO A 15 19.553 25.665 -8.314 1.00 25.00 C ATOM 0 HA PRO A 15 22.495 24.269 -8.234 1.00 25.00 H new ATOM 0 HB2 PRO A 15 21.058 23.720 -10.529 1.00 25.00 H new ATOM 0 HB3 PRO A 15 20.473 23.127 -8.987 1.00 25.00 H new ATOM 0 HG2 PRO A 15 19.661 25.630 -10.469 1.00 25.00 H new ATOM 0 HG3 PRO A 15 18.634 24.384 -9.788 1.00 25.00 H new ATOM 0 HD2 PRO A 15 19.108 26.656 -8.404 1.00 25.00 H new ATOM 0 HD3 PRO A 15 18.980 25.125 -7.560 1.00 25.00 H new ATOM 203 N GLN A 16 22.295 26.793 -10.202 1.00 25.00 N ATOM 204 CA GLN A 16 23.110 27.586 -11.126 1.00 25.00 C ATOM 205 C GLN A 16 24.417 27.991 -10.443 1.00 25.00 C ATOM 206 O GLN A 16 25.432 28.207 -11.088 1.00 25.00 O ATOM 207 CB GLN A 16 22.335 28.829 -11.563 1.00 25.00 C ATOM 208 CG GLN A 16 21.095 28.507 -12.401 1.00 25.00 C ATOM 209 CD GLN A 16 20.255 29.733 -12.672 1.00 25.00 C ATOM 210 OE1 GLN A 16 19.754 30.354 -11.752 1.00 25.00 O ATOM 211 NE2 GLN A 16 20.087 30.075 -13.920 1.00 25.00 N ATOM 0 H GLN A 16 21.438 27.250 -9.890 1.00 25.00 H new ATOM 0 HA GLN A 16 23.342 26.988 -12.007 1.00 25.00 H new ATOM 0 HB2 GLN A 16 22.032 29.389 -10.678 1.00 25.00 H new ATOM 0 HB3 GLN A 16 22.996 29.477 -12.139 1.00 25.00 H new ATOM 0 HG2 GLN A 16 21.404 28.064 -13.348 1.00 25.00 H new ATOM 0 HG3 GLN A 16 20.491 27.762 -11.882 1.00 25.00 H new ATOM 0 HE21 GLN A 16 20.524 29.528 -14.662 1.00 25.00 H new ATOM 0 HE22 GLN A 16 19.519 30.889 -14.154 1.00 25.00 H new ATOM 220 N GLY A 17 24.388 28.050 -9.119 1.00 25.00 N ATOM 221 CA GLY A 17 25.568 28.411 -8.357 1.00 25.00 C ATOM 222 C GLY A 17 26.470 27.237 -8.036 1.00 25.00 C ATOM 223 O GLY A 17 27.474 27.409 -7.354 1.00 25.00 O ATOM 0 H GLY A 17 23.562 27.853 -8.555 1.00 25.00 H new ATOM 0 HA2 GLY A 17 26.138 29.153 -8.917 1.00 25.00 H new ATOM 0 HA3 GLY A 17 25.257 28.884 -7.425 1.00 25.00 H new ATOM 227 N LEU A 18 26.130 26.048 -8.523 1.00 25.00 N ATOM 228 CA LEU A 18 26.965 24.868 -8.286 1.00 25.00 C ATOM 229 C LEU A 18 28.246 24.994 -9.106 1.00 25.00 C ATOM 230 O LEU A 18 29.323 24.645 -8.633 1.00 25.00 O ATOM 231 CB LEU A 18 26.182 23.566 -8.567 1.00 25.00 C ATOM 232 CG LEU A 18 26.197 22.896 -9.954 1.00 25.00 C ATOM 233 CD1 LEU A 18 27.466 22.080 -10.174 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.989 21.969 -10.071 1.00 25.00 C ATOM 0 H LEU A 18 25.293 25.873 -9.078 1.00 25.00 H new ATOM 0 HA LEU A 18 27.248 24.814 -7.235 1.00 25.00 H new ATOM 0 HB2 LEU A 18 26.538 22.823 -7.853 1.00 25.00 H new ATOM 0 HB3 LEU A 18 25.138 23.766 -8.324 1.00 25.00 H new ATOM 0 HG LEU A 18 26.162 23.682 -10.709 1.00 25.00 H new ATOM 0 HD11 LEU A 18 27.438 21.624 -11.163 1.00 25.00 H new ATOM 0 HD12 LEU A 18 28.336 22.733 -10.100 1.00 25.00 H new ATOM 0 HD13 LEU A 18 27.533 21.299 -9.416 1.00 25.00 H new ATOM 0 HD21 LEU A 18 24.991 21.490 -11.050 1.00 25.00 H new ATOM 0 HD22 LEU A 18 25.039 21.206 -9.294 1.00 25.00 H new ATOM 0 HD23 LEU A 18 24.073 22.548 -9.953 1.00 25.00 H new ATOM 246 N ASP A 19 28.121 25.532 -10.312 1.00 25.00 N ATOM 247 CA ASP A 19 29.270 25.725 -11.202 1.00 25.00 C ATOM 248 C ASP A 19 29.963 27.036 -10.857 1.00 25.00 C ATOM 249 O ASP A 19 31.161 27.209 -11.051 1.00 25.00 O ATOM 250 CB ASP A 19 28.799 25.770 -12.654 1.00 25.00 C ATOM 251 CG ASP A 19 29.953 25.674 -13.641 1.00 25.00 C ATOM 252 OD1 ASP A 19 30.771 24.739 -13.509 1.00 25.00 O ATOM 253 OD2 ASP A 19 30.009 26.500 -14.576 1.00 25.00 O ATOM 0 H ASP A 19 27.232 25.846 -10.703 1.00 25.00 H new ATOM 0 HA ASP A 19 29.966 24.896 -11.074 1.00 25.00 H new ATOM 0 HB2 ASP A 19 28.102 24.951 -12.833 1.00 25.00 H new ATOM 0 HB3 ASP A 19 28.252 26.697 -12.827 1.00 25.00 H new ATOM 258 N ASN A 20 29.189 27.958 -10.303 1.00 25.00 N ATOM 259 CA ASN A 20 29.704 29.257 -9.906 1.00 25.00 C ATOM 260 C ASN A 20 29.576 29.520 -8.408 1.00 25.00 C ATOM 261 O ASN A 20 28.749 30.338 -7.976 1.00 25.00 O ATOM 262 CB ASN A 20 28.946 30.357 -10.650 1.00 25.00 C ATOM 263 CG ASN A 20 29.275 30.422 -12.120 1.00 25.00 C ATOM 264 OD1 ASN A 20 28.392 30.446 -12.950 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.535 30.545 -12.438 1.00 25.00 N ATOM 0 H ASN A 20 28.195 27.827 -10.118 1.00 25.00 H new ATOM 0 HA ASN A 20 30.765 29.260 -10.158 1.00 25.00 H new ATOM 0 HB2 ASN A 20 27.875 30.193 -10.532 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.174 31.319 -10.191 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.805 30.666 -13.414 1.00 25.00 H new ATOM 0 HD22 ASN A 20 31.249 30.520 -11.710 1.00 25.00 H new ATOM 272 N PRO A 21 30.466 28.923 -7.599 1.00 25.00 N ATOM 273 CA PRO A 21 30.457 29.244 -6.169 1.00 25.00 C ATOM 274 C PRO A 21 30.750 30.711 -5.911 1.00 25.00 C ATOM 275 O PRO A 21 30.253 31.278 -4.958 1.00 25.00 O ATOM 276 CB PRO A 21 31.591 28.376 -5.611 1.00 25.00 C ATOM 277 CG PRO A 21 32.446 28.111 -6.759 1.00 25.00 C ATOM 278 CD PRO A 21 31.545 27.974 -7.917 1.00 25.00 C ATOM 0 HA PRO A 21 29.485 29.056 -5.712 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.136 28.894 -4.822 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.208 27.451 -5.180 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.156 28.924 -6.912 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.029 27.202 -6.609 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.045 28.227 -8.852 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.171 26.955 -8.021 1.00 25.00 H new ATOM 286 N ALA A 22 31.552 31.330 -6.767 1.00 25.00 N ATOM 287 CA ALA A 22 31.905 32.732 -6.594 1.00 25.00 C ATOM 288 C ALA A 22 30.664 33.619 -6.678 1.00 25.00 C ATOM 289 O ALA A 22 30.478 34.504 -5.854 1.00 25.00 O ATOM 290 CB ALA A 22 32.935 33.146 -7.652 1.00 25.00 C ATOM 0 H ALA A 22 31.969 30.885 -7.585 1.00 25.00 H new ATOM 0 HA ALA A 22 32.344 32.861 -5.605 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.194 34.196 -7.516 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.831 32.534 -7.546 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.513 33.002 -8.647 1.00 25.00 H new ATOM 296 N LEU A 23 29.820 33.364 -7.668 1.00 25.00 N ATOM 297 CA LEU A 23 28.623 34.183 -7.870 1.00 25.00 C ATOM 298 C LEU A 23 27.596 33.882 -6.790 1.00 25.00 C ATOM 299 O LEU A 23 26.931 34.780 -6.289 1.00 25.00 O ATOM 300 CB LEU A 23 28.000 33.925 -9.249 1.00 25.00 C ATOM 301 CG LEU A 23 28.892 34.120 -10.492 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.055 33.868 -11.747 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.525 35.497 -10.583 1.00 25.00 C ATOM 0 H LEU A 23 29.936 32.606 -8.340 1.00 25.00 H new ATOM 0 HA LEU A 23 28.922 35.230 -7.813 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.628 32.900 -9.262 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.134 34.579 -9.353 1.00 25.00 H new ATOM 0 HG LEU A 23 29.712 33.407 -10.406 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.677 34.003 -12.632 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.668 32.849 -11.728 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.223 34.572 -11.777 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.137 35.557 -11.483 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.743 36.255 -10.625 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.150 35.669 -9.707 1.00 25.00 H new ATOM 315 N LEU A 24 27.481 32.616 -6.411 1.00 25.00 N ATOM 316 CA LEU A 24 26.535 32.227 -5.373 1.00 25.00 C ATOM 317 C LEU A 24 26.936 32.830 -4.032 1.00 25.00 C ATOM 318 O LEU A 24 26.094 33.334 -3.300 1.00 25.00 O ATOM 319 CB LEU A 24 26.461 30.701 -5.269 1.00 25.00 C ATOM 320 CG LEU A 24 25.470 30.131 -4.235 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.085 30.774 -4.316 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.344 28.625 -4.423 1.00 25.00 C ATOM 0 H LEU A 24 28.025 31.847 -6.802 1.00 25.00 H new ATOM 0 HA LEU A 24 25.550 32.608 -5.642 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.197 30.304 -6.249 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.456 30.326 -5.031 1.00 25.00 H new ATOM 0 HG LEU A 24 25.872 30.362 -3.249 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.433 30.330 -3.563 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.170 31.846 -4.136 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.663 30.605 -5.307 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.643 28.224 -3.691 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.980 28.413 -5.428 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.319 28.158 -4.285 1.00 25.00 H new ATOM 334 N ARG A 25 28.228 32.826 -3.736 1.00 25.00 N ATOM 335 CA ARG A 25 28.744 33.437 -2.511 1.00 25.00 C ATOM 336 C ARG A 25 28.372 34.903 -2.510 1.00 25.00 C ATOM 337 O ARG A 25 27.927 35.439 -1.516 1.00 25.00 O ATOM 338 CB ARG A 25 30.274 33.290 -2.469 1.00 25.00 C ATOM 339 CG ARG A 25 30.946 33.857 -1.223 1.00 25.00 C ATOM 340 CD ARG A 25 32.324 34.413 -1.549 1.00 25.00 C ATOM 341 NE ARG A 25 32.228 35.642 -2.365 1.00 25.00 N ATOM 342 CZ ARG A 25 33.103 36.643 -2.361 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.181 36.632 -1.615 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.889 37.684 -3.115 1.00 25.00 N ATOM 0 H ARG A 25 28.944 32.405 -4.328 1.00 25.00 H new ATOM 0 HA ARG A 25 28.316 32.945 -1.638 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.524 32.232 -2.548 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.695 33.783 -3.346 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.324 34.644 -0.797 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.035 33.077 -0.467 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.860 34.629 -0.624 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.904 33.662 -2.086 1.00 25.00 H new ATOM 0 HE ARG A 25 31.422 35.729 -2.984 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.373 35.835 -1.008 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.827 37.421 -1.641 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.056 37.726 -3.702 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.555 38.457 -3.118 1.00 25.00 H new ATOM 358 N ASP A 26 28.559 35.549 -3.643 1.00 25.00 N ATOM 359 CA ASP A 26 28.295 36.975 -3.755 1.00 25.00 C ATOM 360 C ASP A 26 26.809 37.312 -3.554 1.00 25.00 C ATOM 361 O ASP A 26 26.467 38.225 -2.805 1.00 25.00 O ATOM 362 CB ASP A 26 28.778 37.444 -5.116 1.00 25.00 C ATOM 363 CG ASP A 26 29.489 38.772 -5.045 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.990 39.774 -5.587 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.595 38.793 -4.448 1.00 25.00 O ATOM 0 H ASP A 26 28.893 35.112 -4.502 1.00 25.00 H new ATOM 0 HA ASP A 26 28.833 37.495 -2.963 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.450 36.697 -5.538 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.927 37.526 -5.793 1.00 25.00 H new ATOM 370 N MET A 27 25.931 36.523 -4.160 1.00 25.00 N ATOM 371 CA MET A 27 24.481 36.692 -3.993 1.00 25.00 C ATOM 372 C MET A 27 24.070 36.468 -2.549 1.00 25.00 C ATOM 373 O MET A 27 23.263 37.205 -2.003 1.00 25.00 O ATOM 374 CB MET A 27 23.746 35.681 -4.868 1.00 25.00 C ATOM 375 CG MET A 27 22.240 35.878 -4.901 1.00 25.00 C ATOM 376 SD MET A 27 21.434 34.551 -5.814 1.00 25.00 S ATOM 377 CE MET A 27 21.363 33.262 -4.556 1.00 25.00 C ATOM 0 H MET A 27 26.193 35.754 -4.776 1.00 25.00 H new ATOM 0 HA MET A 27 24.223 37.710 -4.284 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.134 35.745 -5.885 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.964 34.676 -4.507 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.852 35.911 -3.883 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.005 36.837 -5.363 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.568 32.295 -5.014 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.107 33.464 -3.786 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.370 33.247 -4.106 1.00 25.00 H new ATOM 387 N LEU A 28 24.621 35.434 -1.938 1.00 25.00 N ATOM 388 CA LEU A 28 24.290 35.096 -0.558 1.00 25.00 C ATOM 389 C LEU A 28 24.750 36.186 0.393 1.00 25.00 C ATOM 390 O LEU A 28 24.042 36.546 1.316 1.00 25.00 O ATOM 391 CB LEU A 28 24.939 33.788 -0.182 1.00 25.00 C ATOM 392 CG LEU A 28 24.142 32.571 -0.635 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.052 31.401 -0.613 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.947 32.333 0.273 1.00 25.00 C ATOM 0 H LEU A 28 25.301 34.811 -2.373 1.00 25.00 H new ATOM 0 HA LEU A 28 23.207 35.003 -0.479 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.936 33.745 -0.620 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.065 33.750 0.900 1.00 25.00 H new ATOM 0 HG LEU A 28 23.754 32.734 -1.641 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.509 30.512 -0.933 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.889 31.578 -1.289 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.428 31.252 0.399 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.396 31.459 -0.073 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.293 32.164 1.293 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.294 33.206 0.251 1.00 25.00 H new ATOM 406 N LEU A 29 25.929 36.730 0.138 1.00 25.00 N ATOM 407 CA LEU A 29 26.470 37.819 0.962 1.00 25.00 C ATOM 408 C LEU A 29 25.584 39.056 0.866 1.00 25.00 C ATOM 409 O LEU A 29 25.454 39.814 1.821 1.00 25.00 O ATOM 410 CB LEU A 29 27.887 38.192 0.504 1.00 25.00 C ATOM 411 CG LEU A 29 29.027 37.275 0.977 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.285 37.548 0.155 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.325 37.476 2.463 1.00 25.00 C ATOM 0 H LEU A 29 26.535 36.442 -0.630 1.00 25.00 H new ATOM 0 HA LEU A 29 26.500 37.469 1.994 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.898 38.215 -0.586 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.100 39.205 0.846 1.00 25.00 H new ATOM 0 HG LEU A 29 28.711 36.242 0.833 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.090 36.896 0.494 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.081 37.355 -0.898 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.584 38.589 0.282 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.136 36.813 2.765 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.619 38.511 2.638 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.433 37.248 3.047 1.00 25.00 H new ATOM 425 N ALA A 30 24.988 39.258 -0.296 1.00 25.00 N ATOM 426 CA ALA A 30 24.133 40.411 -0.531 1.00 25.00 C ATOM 427 C ALA A 30 22.696 40.216 -0.028 1.00 25.00 C ATOM 428 O ALA A 30 21.939 41.187 0.056 1.00 25.00 O ATOM 429 CB ALA A 30 24.119 40.733 -2.033 1.00 25.00 C ATOM 0 H ALA A 30 25.081 38.634 -1.098 1.00 25.00 H new ATOM 0 HA ALA A 30 24.551 41.241 0.040 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.479 41.597 -2.214 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.132 40.956 -2.367 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.735 39.875 -2.585 1.00 25.00 H new ATOM 435 N ASN A 31 22.300 38.976 0.237 1.00 25.00 N ATOM 436 CA ASN A 31 20.901 38.669 0.542 1.00 25.00 C ATOM 437 C ASN A 31 20.683 38.196 1.989 1.00 25.00 C ATOM 438 O ASN A 31 21.030 37.067 2.337 1.00 25.00 O ATOM 439 CB ASN A 31 20.419 37.599 -0.428 1.00 25.00 C ATOM 440 CG ASN A 31 18.930 37.496 -0.475 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.241 37.687 0.526 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.417 37.206 -1.637 1.00 25.00 N ATOM 0 H ASN A 31 22.922 38.168 0.248 1.00 25.00 H new ATOM 0 HA ASN A 31 20.329 39.590 0.432 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.796 37.822 -1.426 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.837 36.635 -0.137 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.405 37.129 -1.743 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.027 37.056 -2.441 1.00 25.00 H new ATOM 449 N PRO A 32 20.081 39.043 2.845 1.00 25.00 N ATOM 450 CA PRO A 32 19.969 38.645 4.256 1.00 25.00 C ATOM 451 C PRO A 32 19.056 37.448 4.561 1.00 25.00 C ATOM 452 O PRO A 32 19.302 36.716 5.513 1.00 25.00 O ATOM 453 CB PRO A 32 19.441 39.920 4.924 1.00 25.00 C ATOM 454 CG PRO A 32 18.691 40.620 3.841 1.00 25.00 C ATOM 455 CD PRO A 32 19.533 40.397 2.624 1.00 25.00 C ATOM 0 HA PRO A 32 20.931 38.285 4.619 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.794 39.687 5.770 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.255 40.536 5.306 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.690 40.207 3.716 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.573 41.682 4.057 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.943 40.449 1.709 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.323 41.143 2.537 1.00 25.00 H new ATOM 463 N HIS A 33 18.011 37.242 3.772 1.00 25.00 N ATOM 464 CA HIS A 33 17.086 36.128 4.008 1.00 25.00 C ATOM 465 C HIS A 33 17.712 34.812 3.553 1.00 25.00 C ATOM 466 O HIS A 33 17.547 33.757 4.157 1.00 25.00 O ATOM 467 CB HIS A 33 15.795 36.375 3.226 1.00 25.00 C ATOM 468 CG HIS A 33 14.765 35.301 3.399 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.810 35.287 4.390 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.530 34.176 2.667 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.066 34.194 4.233 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.457 33.484 3.193 1.00 25.00 N ATOM 0 H HIS A 33 17.778 37.824 2.967 1.00 25.00 H new ATOM 0 HA HIS A 33 16.870 36.063 5.074 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.368 37.328 3.540 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.035 36.467 2.167 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.100 33.870 1.802 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.244 33.922 4.878 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.054 32.612 2.851 1.00 25.00 H new ATOM 480 N GLU A 34 18.441 34.887 2.459 1.00 25.00 N ATOM 481 CA GLU A 34 19.006 33.703 1.845 1.00 25.00 C ATOM 482 C GLU A 34 20.210 33.241 2.644 1.00 25.00 C ATOM 483 O GLU A 34 20.488 32.055 2.750 1.00 25.00 O ATOM 484 CB GLU A 34 19.378 34.042 0.410 1.00 25.00 C ATOM 485 CG GLU A 34 18.364 33.575 -0.595 1.00 25.00 C ATOM 486 CD GLU A 34 16.933 33.968 -0.231 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.616 35.177 -0.172 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.116 33.051 -0.034 1.00 25.00 O ATOM 0 H GLU A 34 18.657 35.759 1.975 1.00 25.00 H new ATOM 0 HA GLU A 34 18.285 32.885 1.837 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.498 35.121 0.319 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.343 33.593 0.177 1.00 25.00 H new ATOM 0 HG2 GLU A 34 18.611 33.991 -1.572 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.424 32.490 -0.686 1.00 25.00 H new ATOM 495 N LEU A 35 20.907 34.183 3.250 1.00 25.00 N ATOM 496 CA LEU A 35 22.027 33.849 4.112 1.00 25.00 C ATOM 497 C LEU A 35 21.545 33.294 5.459 1.00 25.00 C ATOM 498 O LEU A 35 22.225 32.480 6.083 1.00 25.00 O ATOM 499 CB LEU A 35 22.934 35.055 4.232 1.00 25.00 C ATOM 500 CG LEU A 35 22.768 36.174 5.257 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.003 35.783 6.703 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.778 37.205 4.828 1.00 25.00 C ATOM 0 H LEU A 35 20.720 35.182 3.163 1.00 25.00 H new ATOM 0 HA LEU A 35 22.616 33.044 3.672 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.939 34.661 4.379 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.921 35.539 3.255 1.00 25.00 H new ATOM 0 HG LEU A 35 21.732 36.513 5.260 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.859 36.653 7.343 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.298 35.002 6.988 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.022 35.412 6.819 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.738 38.057 5.506 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.776 36.768 4.852 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.551 37.537 3.815 1.00 25.00 H new ATOM 514 N SER A 36 20.380 33.740 5.913 1.00 25.00 N ATOM 515 CA SER A 36 19.831 33.293 7.196 1.00 25.00 C ATOM 516 C SER A 36 19.281 31.876 7.098 1.00 25.00 C ATOM 517 O SER A 36 19.516 31.063 7.972 1.00 25.00 O ATOM 518 CB SER A 36 18.762 34.252 7.730 1.00 25.00 C ATOM 519 OG SER A 36 17.627 34.286 6.895 1.00 25.00 O ATOM 0 H SER A 36 19.794 34.411 5.415 1.00 25.00 H new ATOM 0 HA SER A 36 20.656 33.292 7.909 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.466 33.945 8.733 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.182 35.254 7.814 1.00 25.00 H new ATOM 0 HG SER A 36 17.876 33.998 5.992 1.00 25.00 H new ATOM 525 N LEU A 37 18.614 31.539 6.007 1.00 25.00 N ATOM 526 CA LEU A 37 18.133 30.169 5.837 1.00 25.00 C ATOM 527 C LEU A 37 19.295 29.246 5.728 1.00 25.00 C ATOM 528 O LEU A 37 19.235 28.084 6.090 1.00 25.00 O ATOM 529 CB LEU A 37 17.229 30.050 4.628 1.00 25.00 C ATOM 530 CG LEU A 37 17.701 30.151 3.175 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.288 28.851 2.666 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.506 30.535 2.325 1.00 25.00 C ATOM 0 H LEU A 37 18.395 32.174 5.240 1.00 25.00 H new ATOM 0 HA LEU A 37 17.540 29.894 6.710 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.733 29.084 4.717 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.462 30.815 4.749 1.00 25.00 H new ATOM 0 HG LEU A 37 18.492 30.899 3.117 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.607 28.976 1.631 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.146 28.574 3.279 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.534 28.065 2.721 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.812 30.615 1.282 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.733 29.773 2.419 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.113 31.494 2.662 1.00 25.00 H new ATOM 544 N LEU A 38 20.359 29.767 5.164 1.00 25.00 N ATOM 545 CA LEU A 38 21.539 28.988 4.945 1.00 25.00 C ATOM 546 C LEU A 38 22.211 28.594 6.243 1.00 25.00 C ATOM 547 O LEU A 38 22.575 27.448 6.414 1.00 25.00 O ATOM 548 CB LEU A 38 22.459 29.790 4.065 1.00 25.00 C ATOM 549 CG LEU A 38 23.701 29.033 3.587 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.310 27.886 2.686 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.664 29.954 2.873 1.00 25.00 C ATOM 0 H LEU A 38 20.424 30.735 4.849 1.00 25.00 H new ATOM 0 HA LEU A 38 21.274 28.050 4.457 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.900 30.133 3.194 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.778 30.679 4.609 1.00 25.00 H new ATOM 0 HG LEU A 38 24.205 28.633 4.467 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.206 27.360 2.357 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.666 27.197 3.232 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.776 28.271 1.818 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.535 29.387 2.546 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.171 30.394 2.006 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.981 30.746 3.551 1.00 25.00 H new ATOM 563 N LYS A 39 22.331 29.519 7.181 1.00 25.00 N ATOM 564 CA LYS A 39 22.885 29.166 8.500 1.00 25.00 C ATOM 565 C LYS A 39 21.945 28.254 9.271 1.00 25.00 C ATOM 566 O LYS A 39 22.406 27.414 10.029 1.00 25.00 O ATOM 567 CB LYS A 39 23.276 30.399 9.335 1.00 25.00 C ATOM 568 CG LYS A 39 22.228 31.498 9.396 1.00 25.00 C ATOM 569 CD LYS A 39 22.460 32.494 10.514 1.00 25.00 C ATOM 570 CE LYS A 39 23.596 33.453 10.186 1.00 25.00 C ATOM 571 NZ LYS A 39 23.735 34.473 11.276 1.00 25.00 N ATOM 0 H LYS A 39 22.064 30.497 7.071 1.00 25.00 H new ATOM 0 HA LYS A 39 23.807 28.618 8.308 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.498 30.074 10.351 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.195 30.818 8.926 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.214 32.029 8.444 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.245 31.045 9.522 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.546 33.060 10.693 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.689 31.960 11.436 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.529 32.900 10.073 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.402 33.949 9.235 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.512 35.124 11.045 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.849 35.010 11.364 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.941 33.994 12.176 1.00 25.00 H new ATOM 585 N GLU A 40 20.650 28.375 9.033 1.00 25.00 N ATOM 586 CA GLU A 40 19.680 27.509 9.699 1.00 25.00 C ATOM 587 C GLU A 40 19.683 26.090 9.128 1.00 25.00 C ATOM 588 O GLU A 40 19.768 25.110 9.865 1.00 25.00 O ATOM 589 CB GLU A 40 18.272 28.099 9.552 1.00 25.00 C ATOM 590 CG GLU A 40 18.028 29.317 10.438 1.00 25.00 C ATOM 591 CD GLU A 40 18.255 29.014 11.911 1.00 25.00 C ATOM 592 OE1 GLU A 40 17.605 28.088 12.441 1.00 25.00 O ATOM 593 OE2 GLU A 40 19.122 29.678 12.527 1.00 25.00 O ATOM 0 H GLU A 40 20.244 29.056 8.391 1.00 25.00 H new ATOM 0 HA GLU A 40 19.966 27.453 10.749 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.110 28.378 8.511 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.537 27.331 9.793 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.690 30.126 10.130 1.00 25.00 H new ATOM 0 HG3 GLU A 40 17.006 29.669 10.295 1.00 25.00 H new ATOM 600 N ARG A 41 19.560 25.965 7.812 1.00 25.00 N ATOM 601 CA ARG A 41 19.438 24.636 7.192 1.00 25.00 C ATOM 602 C ARG A 41 20.749 23.985 6.749 1.00 25.00 C ATOM 603 O ARG A 41 20.824 22.765 6.623 1.00 25.00 O ATOM 604 CB ARG A 41 18.471 24.720 6.016 1.00 25.00 C ATOM 605 CG ARG A 41 17.096 25.277 6.440 1.00 25.00 C ATOM 606 CD ARG A 41 15.912 24.726 5.625 1.00 25.00 C ATOM 607 NE ARG A 41 15.329 23.518 6.251 1.00 25.00 N ATOM 608 CZ ARG A 41 14.128 23.006 5.979 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.313 23.530 5.100 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.728 21.941 6.613 1.00 25.00 N ATOM 0 H ARG A 41 19.541 26.747 7.157 1.00 25.00 H new ATOM 0 HA ARG A 41 19.062 23.981 7.978 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.897 25.357 5.241 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.343 23.729 5.580 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.934 25.050 7.494 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.112 26.363 6.347 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.144 25.495 5.534 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.246 24.487 4.615 1.00 25.00 H new ATOM 0 HE ARG A 41 15.894 23.036 6.950 1.00 25.00 H new ATOM 0 HH11 ARG A 41 13.587 24.368 4.587 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.404 23.100 4.928 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.332 21.506 7.311 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.811 21.542 6.412 1.00 25.00 H new ATOM 624 N ASN A 42 21.767 24.790 6.503 1.00 25.00 N ATOM 625 CA ASN A 42 23.107 24.288 6.116 1.00 25.00 C ATOM 626 C ASN A 42 24.275 24.984 6.836 1.00 25.00 C ATOM 627 O ASN A 42 25.094 25.656 6.191 1.00 25.00 O ATOM 628 CB ASN A 42 23.330 24.462 4.608 1.00 25.00 C ATOM 629 CG ASN A 42 24.402 23.543 4.074 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.058 22.836 4.813 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.574 23.542 2.786 1.00 25.00 N ATOM 0 H ASN A 42 21.707 25.807 6.561 1.00 25.00 H new ATOM 0 HA ASN A 42 23.106 23.239 6.411 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.395 24.270 4.081 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.606 25.496 4.401 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.278 22.935 2.366 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.005 24.149 2.195 1.00 25.00 H new ATOM 638 N PRO A 43 24.404 24.809 8.163 1.00 25.00 N ATOM 639 CA PRO A 43 25.513 25.524 8.815 1.00 25.00 C ATOM 640 C PRO A 43 26.956 25.330 8.270 1.00 25.00 C ATOM 641 O PRO A 43 27.712 26.303 8.253 1.00 25.00 O ATOM 642 CB PRO A 43 25.390 25.101 10.286 1.00 25.00 C ATOM 643 CG PRO A 43 24.552 23.864 10.280 1.00 25.00 C ATOM 644 CD PRO A 43 23.599 24.047 9.139 1.00 25.00 C ATOM 0 HA PRO A 43 25.399 26.590 8.617 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.370 24.908 10.722 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.925 25.886 10.882 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.165 22.973 10.143 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.020 23.743 11.223 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.266 23.092 8.732 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.705 24.593 9.441 1.00 25.00 H new ATOM 652 N PRO A 44 27.351 24.124 7.778 1.00 25.00 N ATOM 653 CA PRO A 44 28.734 24.144 7.269 1.00 25.00 C ATOM 654 C PRO A 44 28.963 24.967 5.984 1.00 25.00 C ATOM 655 O PRO A 44 30.032 25.545 5.815 1.00 25.00 O ATOM 656 CB PRO A 44 29.031 22.660 7.028 1.00 25.00 C ATOM 657 CG PRO A 44 27.725 22.076 6.716 1.00 25.00 C ATOM 658 CD PRO A 44 26.772 22.771 7.651 1.00 25.00 C ATOM 0 HA PRO A 44 29.393 24.640 7.982 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.734 22.523 6.207 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.475 22.195 7.908 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.453 22.244 5.674 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.723 20.998 6.876 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.761 22.802 7.245 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.713 22.266 8.615 1.00 25.00 H new ATOM 666 N LEU A 45 27.985 25.055 5.087 1.00 25.00 N ATOM 667 CA LEU A 45 28.156 25.914 3.908 1.00 25.00 C ATOM 668 C LEU A 45 27.993 27.355 4.350 1.00 25.00 C ATOM 669 O LEU A 45 28.607 28.269 3.807 1.00 25.00 O ATOM 670 CB LEU A 45 27.156 25.584 2.797 1.00 25.00 C ATOM 671 CG LEU A 45 27.250 26.429 1.502 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.642 26.418 0.850 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.234 25.901 0.494 1.00 25.00 C ATOM 0 H LEU A 45 27.093 24.563 5.144 1.00 25.00 H new ATOM 0 HA LEU A 45 29.149 25.744 3.491 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.280 24.535 2.528 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.150 25.693 3.202 1.00 25.00 H new ATOM 0 HG LEU A 45 27.045 27.461 1.788 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.627 27.032 -0.051 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.375 26.819 1.550 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.913 25.395 0.588 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.291 26.489 -0.422 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.453 24.857 0.270 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.231 25.979 0.913 1.00 25.00 H new ATOM 685 N ALA A 46 27.165 27.554 5.357 1.00 25.00 N ATOM 686 CA ALA A 46 26.935 28.889 5.859 1.00 25.00 C ATOM 687 C ALA A 46 28.183 29.512 6.454 1.00 25.00 C ATOM 688 O ALA A 46 28.500 30.622 6.102 1.00 25.00 O ATOM 689 CB ALA A 46 25.855 28.879 6.873 1.00 25.00 C ATOM 0 H ALA A 46 26.648 26.817 5.837 1.00 25.00 H new ATOM 0 HA ALA A 46 26.639 29.498 5.005 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.693 29.892 7.242 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.936 28.506 6.422 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.141 28.232 7.702 1.00 25.00 H new ATOM 695 N GLU A 47 28.896 28.818 7.336 1.00 25.00 N ATOM 696 CA GLU A 47 30.069 29.425 7.990 1.00 25.00 C ATOM 697 C GLU A 47 31.112 29.844 6.957 1.00 25.00 C ATOM 698 O GLU A 47 31.783 30.870 7.100 1.00 25.00 O ATOM 699 CB GLU A 47 30.685 28.512 9.050 1.00 25.00 C ATOM 700 CG GLU A 47 31.136 27.170 8.549 1.00 25.00 C ATOM 701 CD GLU A 47 32.518 26.790 9.066 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.646 25.754 9.743 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.493 27.533 8.772 1.00 25.00 O ATOM 0 H GLU A 47 28.696 27.858 7.615 1.00 25.00 H new ATOM 0 HA GLU A 47 29.717 30.317 8.508 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.539 29.022 9.495 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.955 28.359 9.845 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.416 26.411 8.854 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.149 27.178 7.459 1.00 25.00 H new ATOM 710 N ALA A 48 31.178 29.090 5.872 1.00 25.00 N ATOM 711 CA ALA A 48 32.020 29.410 4.759 1.00 25.00 C ATOM 712 C ALA A 48 31.636 30.719 4.108 1.00 25.00 C ATOM 713 O ALA A 48 32.487 31.550 3.797 1.00 25.00 O ATOM 714 CB ALA A 48 31.945 28.288 3.771 1.00 25.00 C ATOM 0 H ALA A 48 30.639 28.233 5.750 1.00 25.00 H new ATOM 0 HA ALA A 48 33.042 29.533 5.118 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.581 28.514 2.915 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.285 27.365 4.242 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.915 28.167 3.436 1.00 25.00 H new ATOM 720 N LEU A 49 30.343 30.901 3.928 1.00 25.00 N ATOM 721 CA LEU A 49 29.828 32.107 3.332 1.00 25.00 C ATOM 722 C LEU A 49 30.097 33.289 4.245 1.00 25.00 C ATOM 723 O LEU A 49 30.507 34.350 3.789 1.00 25.00 O ATOM 724 CB LEU A 49 28.318 31.941 3.113 1.00 25.00 C ATOM 725 CG LEU A 49 27.547 33.013 2.337 1.00 25.00 C ATOM 726 CD1 LEU A 49 27.158 34.211 3.158 1.00 25.00 C ATOM 727 CD2 LEU A 49 28.322 33.460 1.130 1.00 25.00 C ATOM 0 H LEU A 49 29.629 30.221 4.190 1.00 25.00 H new ATOM 0 HA LEU A 49 30.320 32.289 2.376 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.165 30.992 2.599 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.853 31.851 4.095 1.00 25.00 H new ATOM 0 HG LEU A 49 26.618 32.531 2.032 1.00 25.00 H new ATOM 0 HD11 LEU A 49 26.616 34.920 2.532 1.00 25.00 H new ATOM 0 HD12 LEU A 49 26.520 33.895 3.984 1.00 25.00 H new ATOM 0 HD13 LEU A 49 28.055 34.687 3.554 1.00 25.00 H new ATOM 0 HD21 LEU A 49 27.755 34.221 0.595 1.00 25.00 H new ATOM 0 HD22 LEU A 49 29.279 33.875 1.445 1.00 25.00 H new ATOM 0 HD23 LEU A 49 28.495 32.608 0.473 1.00 25.00 H new ATOM 739 N LEU A 50 29.868 33.098 5.538 1.00 25.00 N ATOM 740 CA LEU A 50 29.981 34.194 6.499 1.00 25.00 C ATOM 741 C LEU A 50 31.410 34.713 6.556 1.00 25.00 C ATOM 742 O LEU A 50 31.651 35.886 6.809 1.00 25.00 O ATOM 743 CB LEU A 50 29.597 33.758 7.928 1.00 25.00 C ATOM 744 CG LEU A 50 28.307 32.970 8.192 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.050 32.878 9.675 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.091 33.509 7.452 1.00 25.00 C ATOM 0 H LEU A 50 29.604 32.201 5.946 1.00 25.00 H new ATOM 0 HA LEU A 50 29.295 34.968 6.156 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.422 33.158 8.312 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.550 34.661 8.536 1.00 25.00 H new ATOM 0 HG LEU A 50 28.467 31.970 7.789 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.132 32.317 9.851 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.884 32.370 10.158 1.00 25.00 H new ATOM 0 HD13 LEU A 50 27.947 33.881 10.089 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.220 32.899 7.691 1.00 25.00 H new ATOM 0 HD22 LEU A 50 26.907 34.539 7.757 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.274 33.476 6.378 1.00 25.00 H new ATOM 758 N SER A 51 32.354 33.809 6.347 1.00 25.00 N ATOM 759 CA SER A 51 33.764 34.136 6.392 1.00 25.00 C ATOM 760 C SER A 51 34.187 34.997 5.203 1.00 25.00 C ATOM 761 O SER A 51 35.203 35.678 5.253 1.00 25.00 O ATOM 762 CB SER A 51 34.559 32.849 6.361 1.00 25.00 C ATOM 763 OG SER A 51 34.242 32.014 7.467 1.00 25.00 O ATOM 0 H SER A 51 32.161 32.829 6.142 1.00 25.00 H new ATOM 0 HA SER A 51 33.953 34.700 7.305 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.355 32.317 5.432 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.625 33.078 6.370 1.00 25.00 H new ATOM 0 HG SER A 51 33.390 31.560 7.300 1.00 25.00 H new ATOM 769 N GLY A 52 33.439 34.901 4.112 1.00 25.00 N ATOM 770 CA GLY A 52 33.760 35.632 2.894 1.00 25.00 C ATOM 771 C GLY A 52 34.777 34.901 2.037 1.00 25.00 C ATOM 772 O GLY A 52 34.947 35.209 0.854 1.00 25.00 O ATOM 0 H GLY A 52 32.602 34.321 4.046 1.00 25.00 H new ATOM 0 HA2 GLY A 52 32.849 35.791 2.317 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.148 36.617 3.155 1.00 25.00 H new ATOM 776 N ASP A 53 35.446 33.924 2.633 1.00 25.00 N ATOM 777 CA ASP A 53 36.461 33.137 1.943 1.00 25.00 C ATOM 778 C ASP A 53 35.841 32.303 0.834 1.00 25.00 C ATOM 779 O ASP A 53 35.089 31.359 1.095 1.00 25.00 O ATOM 780 CB ASP A 53 37.155 32.166 2.892 1.00 25.00 C ATOM 781 CG ASP A 53 38.290 31.442 2.226 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.751 31.904 1.161 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.660 30.362 2.711 1.00 25.00 O ATOM 0 H ASP A 53 35.302 33.654 3.606 1.00 25.00 H new ATOM 0 HA ASP A 53 37.178 33.851 1.538 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.531 32.712 3.757 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.430 31.441 3.263 1.00 25.00 H new ATOM 788 N LEU A 54 36.181 32.615 -0.405 1.00 25.00 N ATOM 789 CA LEU A 54 35.688 31.837 -1.525 1.00 25.00 C ATOM 790 C LEU A 54 36.257 30.433 -1.460 1.00 25.00 C ATOM 791 O LEU A 54 35.576 29.489 -1.789 1.00 25.00 O ATOM 792 CB LEU A 54 36.076 32.493 -2.849 1.00 25.00 C ATOM 793 CG LEU A 54 35.555 31.856 -4.157 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.502 30.786 -4.716 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.125 31.295 -4.059 1.00 25.00 C ATOM 0 H LEU A 54 36.790 33.393 -0.658 1.00 25.00 H new ATOM 0 HA LEU A 54 34.600 31.792 -1.467 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.733 33.527 -2.822 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.164 32.520 -2.902 1.00 25.00 H new ATOM 0 HG LEU A 54 35.522 32.690 -4.858 1.00 25.00 H new ATOM 0 HD11 LEU A 54 36.084 30.374 -5.635 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.473 31.234 -4.928 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.623 29.988 -3.983 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.836 30.866 -5.019 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.089 30.523 -3.291 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.436 32.098 -3.798 1.00 25.00 H new ATOM 807 N GLU A 55 37.493 30.283 -1.028 1.00 25.00 N ATOM 808 CA GLU A 55 38.115 28.959 -0.996 1.00 25.00 C ATOM 809 C GLU A 55 37.328 28.013 -0.106 1.00 25.00 C ATOM 810 O GLU A 55 36.936 26.927 -0.535 1.00 25.00 O ATOM 811 CB GLU A 55 39.548 29.035 -0.483 1.00 25.00 C ATOM 812 CG GLU A 55 40.450 29.935 -1.284 1.00 25.00 C ATOM 813 CD GLU A 55 40.872 29.309 -2.610 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.027 29.235 -3.534 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.039 28.883 -2.725 1.00 25.00 O ATOM 0 H GLU A 55 38.086 31.044 -0.697 1.00 25.00 H new ATOM 0 HA GLU A 55 38.118 28.582 -2.019 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.533 29.383 0.550 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.972 28.031 -0.475 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.938 30.878 -1.478 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.338 30.169 -0.697 1.00 25.00 H new ATOM 822 N LYS A 56 37.056 28.427 1.124 1.00 25.00 N ATOM 823 CA LYS A 56 36.300 27.580 2.038 1.00 25.00 C ATOM 824 C LYS A 56 34.886 27.417 1.519 1.00 25.00 C ATOM 825 O LYS A 56 34.360 26.320 1.587 1.00 25.00 O ATOM 826 CB LYS A 56 36.376 28.071 3.508 1.00 25.00 C ATOM 827 CG LYS A 56 35.418 29.053 3.967 1.00 25.00 C ATOM 828 CD LYS A 56 35.871 29.609 5.336 1.00 25.00 C ATOM 829 CE LYS A 56 35.212 28.852 6.503 1.00 25.00 C ATOM 830 NZ LYS A 56 35.591 29.336 7.864 1.00 25.00 N ATOM 0 H LYS A 56 37.341 29.328 1.508 1.00 25.00 H new ATOM 0 HA LYS A 56 36.758 26.591 2.066 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.286 27.197 4.153 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.372 28.483 3.667 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.335 29.863 3.242 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.430 28.601 4.054 1.00 25.00 H new ATOM 0 HD2 LYS A 56 36.955 29.533 5.419 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.619 30.668 5.400 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.129 28.923 6.397 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.471 27.796 6.424 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.113 28.757 8.584 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.621 29.259 7.986 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.303 30.330 7.972 1.00 25.00 H new ATOM 844 N PHE A 57 34.307 28.457 0.922 1.00 25.00 N ATOM 845 CA PHE A 57 32.973 28.353 0.323 1.00 25.00 C ATOM 846 C PHE A 57 32.929 27.332 -0.808 1.00 25.00 C ATOM 847 O PHE A 57 32.108 26.442 -0.780 1.00 25.00 O ATOM 848 CB PHE A 57 32.493 29.723 -0.169 1.00 25.00 C ATOM 849 CG PHE A 57 31.061 29.731 -0.631 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.017 29.965 0.283 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.745 29.516 -1.984 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.667 29.985 -0.147 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.399 29.535 -2.423 1.00 25.00 C ATOM 854 CZ PHE A 57 28.362 29.763 -1.502 1.00 25.00 C ATOM 0 H PHE A 57 34.736 29.379 0.839 1.00 25.00 H new ATOM 0 HA PHE A 57 32.297 28.002 1.102 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.610 30.450 0.635 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.132 30.049 -0.989 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.247 30.131 1.325 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.537 29.335 -2.696 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.875 30.170 0.563 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.169 29.374 -3.466 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.334 29.768 -1.834 1.00 25.00 H new ATOM 864 N SER A 58 33.826 27.432 -1.775 1.00 25.00 N ATOM 865 CA SER A 58 33.871 26.496 -2.901 1.00 25.00 C ATOM 866 C SER A 58 34.185 25.068 -2.449 1.00 25.00 C ATOM 867 O SER A 58 33.614 24.098 -2.955 1.00 25.00 O ATOM 868 CB SER A 58 34.944 26.957 -3.892 1.00 25.00 C ATOM 869 OG SER A 58 34.940 26.154 -5.058 1.00 25.00 O ATOM 0 H SER A 58 34.542 28.158 -1.808 1.00 25.00 H new ATOM 0 HA SER A 58 32.887 26.488 -3.370 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.770 27.998 -4.163 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.925 26.911 -3.418 1.00 25.00 H new ATOM 0 HG SER A 58 35.633 26.470 -5.675 1.00 25.00 H new ATOM 875 N ARG A 59 35.074 24.940 -1.474 1.00 25.00 N ATOM 876 CA ARG A 59 35.481 23.625 -0.975 1.00 25.00 C ATOM 877 C ARG A 59 34.302 22.942 -0.317 1.00 25.00 C ATOM 878 O ARG A 59 34.005 21.787 -0.599 1.00 25.00 O ATOM 879 CB ARG A 59 36.637 23.776 0.027 1.00 25.00 C ATOM 880 CG ARG A 59 37.010 22.493 0.775 1.00 25.00 C ATOM 881 CD ARG A 59 36.757 22.663 2.270 1.00 25.00 C ATOM 882 NE ARG A 59 36.634 21.372 2.955 1.00 25.00 N ATOM 883 CZ ARG A 59 36.604 21.191 4.268 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.730 22.180 5.120 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.441 19.986 4.726 1.00 25.00 N ATOM 0 H ARG A 59 35.529 25.727 -1.011 1.00 25.00 H new ATOM 0 HA ARG A 59 35.823 23.014 -1.811 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.516 24.138 -0.506 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.369 24.540 0.756 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.425 21.657 0.392 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.059 22.254 0.601 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.573 23.233 2.714 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.846 23.242 2.420 1.00 25.00 H new ATOM 0 HE ARG A 59 36.565 20.540 2.369 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.857 23.133 4.780 1.00 25.00 H new ATOM 0 HH12 ARG A 59 36.701 21.996 6.123 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.339 19.204 4.079 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.415 19.822 5.732 1.00 25.00 H new ATOM 899 N VAL A 60 33.615 23.654 0.554 1.00 25.00 N ATOM 900 CA VAL A 60 32.490 23.061 1.253 1.00 25.00 C ATOM 901 C VAL A 60 31.337 22.883 0.259 1.00 25.00 C ATOM 902 O VAL A 60 30.542 21.970 0.399 1.00 25.00 O ATOM 903 CB VAL A 60 32.111 23.862 2.541 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.466 25.131 2.225 1.00 25.00 C ATOM 905 CG2 VAL A 60 31.231 23.016 3.464 1.00 25.00 C ATOM 0 H VAL A 60 33.810 24.626 0.793 1.00 25.00 H new ATOM 0 HA VAL A 60 32.759 22.074 1.629 1.00 25.00 H new ATOM 0 HB VAL A 60 33.038 24.095 3.064 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.220 25.654 3.149 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.142 25.745 1.630 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.553 24.944 1.660 1.00 25.00 H new ATOM 0 HG21 VAL A 60 30.979 23.592 4.354 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.316 22.738 2.940 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.770 22.115 3.756 1.00 25.00 H new ATOM 915 N LEU A 61 31.252 23.737 -0.759 1.00 25.00 N ATOM 916 CA LEU A 61 30.198 23.629 -1.772 1.00 25.00 C ATOM 917 C LEU A 61 30.259 22.284 -2.491 1.00 25.00 C ATOM 918 O LEU A 61 29.239 21.622 -2.635 1.00 25.00 O ATOM 919 CB LEU A 61 30.315 24.760 -2.810 1.00 25.00 C ATOM 920 CG LEU A 61 29.082 24.998 -3.701 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.242 26.096 -3.086 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.440 25.422 -5.127 1.00 25.00 C ATOM 0 H LEU A 61 31.899 24.512 -0.906 1.00 25.00 H new ATOM 0 HA LEU A 61 29.243 23.712 -1.253 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.540 25.687 -2.282 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.167 24.546 -3.455 1.00 25.00 H new ATOM 0 HG LEU A 61 28.546 24.051 -3.760 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.365 26.275 -3.708 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.924 25.795 -2.088 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.831 27.011 -3.019 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.526 25.573 -5.702 1.00 25.00 H new ATOM 0 HD22 LEU A 61 30.009 26.351 -5.098 1.00 25.00 H new ATOM 0 HD23 LEU A 61 30.040 24.644 -5.598 1.00 25.00 H new ATOM 934 N VAL A 62 31.435 21.864 -2.938 1.00 25.00 N ATOM 935 CA VAL A 62 31.540 20.590 -3.658 1.00 25.00 C ATOM 936 C VAL A 62 31.365 19.409 -2.704 1.00 25.00 C ATOM 937 O VAL A 62 30.755 18.402 -3.057 1.00 25.00 O ATOM 938 CB VAL A 62 32.862 20.475 -4.485 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.114 20.437 -3.599 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.814 19.236 -5.384 1.00 25.00 C ATOM 0 H VAL A 62 32.314 22.369 -2.822 1.00 25.00 H new ATOM 0 HA VAL A 62 30.726 20.563 -4.382 1.00 25.00 H new ATOM 0 HB VAL A 62 32.934 21.373 -5.099 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.002 20.357 -4.227 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.169 21.351 -3.008 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.062 19.576 -2.932 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.739 19.165 -5.956 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.699 18.344 -4.768 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.970 19.316 -6.069 1.00 25.00 H new ATOM 950 N GLU A 63 31.826 19.546 -1.474 1.00 25.00 N ATOM 951 CA GLU A 63 31.614 18.502 -0.469 1.00 25.00 C ATOM 952 C GLU A 63 30.114 18.352 -0.207 1.00 25.00 C ATOM 953 O GLU A 63 29.587 17.240 -0.139 1.00 25.00 O ATOM 954 CB GLU A 63 32.343 18.851 0.828 1.00 25.00 C ATOM 955 CG GLU A 63 33.856 18.704 0.722 1.00 25.00 C ATOM 956 CD GLU A 63 34.570 19.090 2.005 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.951 19.738 2.875 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.779 18.781 2.135 1.00 25.00 O ATOM 0 H GLU A 63 32.345 20.359 -1.142 1.00 25.00 H new ATOM 0 HA GLU A 63 32.015 17.559 -0.842 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.102 19.877 1.108 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.977 18.208 1.628 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.101 17.672 0.471 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.222 19.326 -0.095 1.00 25.00 H new ATOM 965 N GLN A 64 29.414 19.474 -0.128 1.00 25.00 N ATOM 966 CA GLN A 64 27.968 19.462 0.033 1.00 25.00 C ATOM 967 C GLN A 64 27.297 18.847 -1.181 1.00 25.00 C ATOM 968 O GLN A 64 26.348 18.112 -1.024 1.00 25.00 O ATOM 969 CB GLN A 64 27.422 20.877 0.254 1.00 25.00 C ATOM 970 CG GLN A 64 27.554 21.365 1.691 1.00 25.00 C ATOM 971 CD GLN A 64 26.699 20.560 2.646 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.512 20.356 2.415 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.293 20.093 3.713 1.00 25.00 N ATOM 0 H GLN A 64 29.825 20.406 -0.173 1.00 25.00 H new ATOM 0 HA GLN A 64 27.744 18.858 0.912 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.948 21.567 -0.405 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.371 20.901 -0.034 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.598 21.304 2.000 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.267 22.415 1.745 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.282 20.284 3.871 1.00 25.00 H new ATOM 0 HE22 GLN A 64 26.767 19.538 4.388 1.00 25.00 H new ATOM 982 N GLN A 65 27.784 19.112 -2.385 1.00 25.00 N ATOM 983 CA GLN A 65 27.189 18.505 -3.584 1.00 25.00 C ATOM 984 C GLN A 65 27.305 16.980 -3.530 1.00 25.00 C ATOM 985 O GLN A 65 26.349 16.269 -3.840 1.00 25.00 O ATOM 986 CB GLN A 65 27.872 19.008 -4.859 1.00 25.00 C ATOM 987 CG GLN A 65 27.523 20.439 -5.244 1.00 25.00 C ATOM 988 CD GLN A 65 28.315 20.902 -6.445 1.00 25.00 C ATOM 989 OE1 GLN A 65 28.410 20.203 -7.434 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.895 22.069 -6.358 1.00 25.00 N ATOM 0 H GLN A 65 28.575 19.731 -2.564 1.00 25.00 H new ATOM 0 HA GLN A 65 26.138 18.794 -3.605 1.00 25.00 H new ATOM 0 HB2 GLN A 65 28.952 18.934 -4.730 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.603 18.348 -5.684 1.00 25.00 H new ATOM 0 HG2 GLN A 65 26.457 20.508 -5.462 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.719 21.101 -4.401 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.792 22.628 -5.511 1.00 25.00 H new ATOM 0 HE22 GLN A 65 29.451 22.422 -7.137 1.00 25.00 H new ATOM 999 N GLN A 66 28.457 16.480 -3.102 1.00 25.00 N ATOM 1000 CA GLN A 66 28.668 15.035 -3.010 1.00 25.00 C ATOM 1001 C GLN A 66 27.723 14.414 -1.978 1.00 25.00 C ATOM 1002 O GLN A 66 27.207 13.314 -2.170 1.00 25.00 O ATOM 1003 CB GLN A 66 30.110 14.730 -2.601 1.00 25.00 C ATOM 1004 CG GLN A 66 31.147 15.098 -3.648 1.00 25.00 C ATOM 1005 CD GLN A 66 32.551 14.940 -3.120 1.00 25.00 C ATOM 1006 OE1 GLN A 66 32.990 13.842 -2.818 1.00 25.00 O ATOM 1007 NE2 GLN A 66 33.252 16.035 -2.984 1.00 25.00 N ATOM 0 H GLN A 66 29.256 17.045 -2.814 1.00 25.00 H new ATOM 0 HA GLN A 66 28.465 14.607 -3.992 1.00 25.00 H new ATOM 0 HB2 GLN A 66 30.335 15.266 -1.679 1.00 25.00 H new ATOM 0 HB3 GLN A 66 30.195 13.666 -2.380 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.016 14.468 -4.528 1.00 25.00 H new ATOM 0 HG3 GLN A 66 30.992 16.128 -3.968 1.00 25.00 H new ATOM 0 HE21 GLN A 66 32.849 16.934 -3.248 1.00 25.00 H new ATOM 0 HE22 GLN A 66 34.201 15.990 -2.614 1.00 25.00 H new ATOM 1016 N ASP A 67 27.509 15.116 -0.878 1.00 25.00 N ATOM 1017 CA ASP A 67 26.636 14.624 0.188 1.00 25.00 C ATOM 1018 C ASP A 67 25.161 14.755 -0.196 1.00 25.00 C ATOM 1019 O ASP A 67 24.330 13.905 0.123 1.00 25.00 O ATOM 1020 CB ASP A 67 26.895 15.426 1.458 1.00 25.00 C ATOM 1021 CG ASP A 67 26.271 14.792 2.679 1.00 25.00 C ATOM 1022 OD1 ASP A 67 26.102 13.559 2.706 1.00 25.00 O ATOM 1023 OD2 ASP A 67 25.883 15.547 3.597 1.00 25.00 O ATOM 0 H ASP A 67 27.925 16.029 -0.695 1.00 25.00 H new ATOM 0 HA ASP A 67 26.856 13.569 0.351 1.00 25.00 H new ATOM 0 HB2 ASP A 67 27.970 15.521 1.611 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.500 16.434 1.334 1.00 25.00 H new ATOM 1028 N ARG A 68 24.841 15.815 -0.921 1.00 25.00 N ATOM 1029 CA ARG A 68 23.472 16.050 -1.375 1.00 25.00 C ATOM 1030 C ARG A 68 23.031 14.951 -2.298 1.00 25.00 C ATOM 1031 O ARG A 68 21.913 14.486 -2.182 1.00 25.00 O ATOM 1032 CB ARG A 68 23.351 17.362 -2.137 1.00 25.00 C ATOM 1033 CG ARG A 68 23.190 18.593 -1.266 1.00 25.00 C ATOM 1034 CD ARG A 68 23.184 19.830 -2.142 1.00 25.00 C ATOM 1035 NE ARG A 68 22.046 19.773 -3.078 1.00 25.00 N ATOM 1036 CZ ARG A 68 21.138 20.722 -3.260 1.00 25.00 C ATOM 1037 NH1 ARG A 68 21.174 21.871 -2.629 1.00 25.00 N ATOM 1038 NH2 ARG A 68 20.170 20.492 -4.095 1.00 25.00 N ATOM 0 H ARG A 68 25.509 16.530 -1.210 1.00 25.00 H new ATOM 0 HA ARG A 68 22.847 16.084 -0.483 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.238 17.488 -2.758 1.00 25.00 H new ATOM 0 HB3 ARG A 68 22.496 17.297 -2.810 1.00 25.00 H new ATOM 0 HG2 ARG A 68 22.262 18.531 -0.698 1.00 25.00 H new ATOM 0 HG3 ARG A 68 24.003 18.650 -0.543 1.00 25.00 H new ATOM 0 HD2 ARG A 68 23.114 20.725 -1.523 1.00 25.00 H new ATOM 0 HD3 ARG A 68 24.120 19.899 -2.697 1.00 25.00 H new ATOM 0 HE ARG A 68 21.948 18.925 -3.637 1.00 25.00 H new ATOM 0 HH11 ARG A 68 21.924 22.065 -1.965 1.00 25.00 H new ATOM 0 HH12 ARG A 68 20.452 22.571 -2.802 1.00 25.00 H new ATOM 0 HH21 ARG A 68 20.124 19.601 -4.589 1.00 25.00 H new ATOM 0 HH22 ARG A 68 19.456 21.202 -4.256 1.00 25.00 H new ATOM 1052 N ALA A 69 23.915 14.521 -3.186 1.00 25.00 N ATOM 1053 CA ALA A 69 23.592 13.482 -4.159 1.00 25.00 C ATOM 1054 C ALA A 69 23.081 12.202 -3.483 1.00 25.00 C ATOM 1055 O ALA A 69 22.246 11.483 -4.034 1.00 25.00 O ATOM 1056 CB ALA A 69 24.833 13.182 -5.014 1.00 25.00 C ATOM 0 H ALA A 69 24.868 14.877 -3.255 1.00 25.00 H new ATOM 0 HA ALA A 69 22.787 13.849 -4.796 1.00 25.00 H new ATOM 0 HB1 ALA A 69 24.595 12.406 -5.742 1.00 25.00 H new ATOM 0 HB2 ALA A 69 25.142 14.087 -5.537 1.00 25.00 H new ATOM 0 HB3 ALA A 69 25.644 12.839 -4.371 1.00 25.00 H new ATOM 1062 N ARG A 70 23.562 11.937 -2.273 1.00 25.00 N ATOM 1063 CA ARG A 70 23.148 10.754 -1.513 1.00 25.00 C ATOM 1064 C ARG A 70 21.682 10.838 -1.109 1.00 25.00 C ATOM 1065 O ARG A 70 20.920 9.903 -1.306 1.00 25.00 O ATOM 1066 CB ARG A 70 24.005 10.624 -0.247 1.00 25.00 C ATOM 1067 CG ARG A 70 25.493 10.599 -0.528 1.00 25.00 C ATOM 1068 CD ARG A 70 26.291 10.594 0.769 1.00 25.00 C ATOM 1069 NE ARG A 70 27.732 10.759 0.516 1.00 25.00 N ATOM 1070 CZ ARG A 70 28.600 9.773 0.310 1.00 25.00 C ATOM 1071 NH1 ARG A 70 28.249 8.509 0.326 1.00 25.00 N ATOM 1072 NH2 ARG A 70 29.850 10.068 0.085 1.00 25.00 N ATOM 0 H ARG A 70 24.242 12.526 -1.792 1.00 25.00 H new ATOM 0 HA ARG A 70 23.284 9.883 -2.154 1.00 25.00 H new ATOM 0 HB2 ARG A 70 23.783 11.457 0.420 1.00 25.00 H new ATOM 0 HB3 ARG A 70 23.727 9.711 0.279 1.00 25.00 H new ATOM 0 HG2 ARG A 70 25.741 9.715 -1.116 1.00 25.00 H new ATOM 0 HG3 ARG A 70 25.769 11.468 -1.126 1.00 25.00 H new ATOM 0 HD2 ARG A 70 25.940 11.397 1.417 1.00 25.00 H new ATOM 0 HD3 ARG A 70 26.119 9.658 1.300 1.00 25.00 H new ATOM 0 HE ARG A 70 28.096 11.712 0.497 1.00 25.00 H new ATOM 0 HH11 ARG A 70 27.278 8.252 0.501 1.00 25.00 H new ATOM 0 HH12 ARG A 70 28.947 7.784 0.163 1.00 25.00 H new ATOM 0 HH21 ARG A 70 30.149 11.043 0.069 1.00 25.00 H new ATOM 0 HH22 ARG A 70 30.529 9.324 -0.075 1.00 25.00 H new ATOM 1086 N ARG A 71 21.296 11.967 -0.533 1.00 25.00 N ATOM 1087 CA ARG A 71 19.921 12.161 -0.050 1.00 25.00 C ATOM 1088 C ARG A 71 18.961 12.512 -1.169 1.00 25.00 C ATOM 1089 O ARG A 71 17.771 12.253 -1.073 1.00 25.00 O ATOM 1090 CB ARG A 71 19.865 13.237 1.040 1.00 25.00 C ATOM 1091 CG ARG A 71 20.654 14.510 0.760 1.00 25.00 C ATOM 1092 CD ARG A 71 20.519 15.480 1.926 1.00 25.00 C ATOM 1093 NE ARG A 71 21.641 16.435 1.990 1.00 25.00 N ATOM 1094 CZ ARG A 71 22.822 16.194 2.557 1.00 25.00 C ATOM 1095 NH1 ARG A 71 23.114 15.044 3.109 1.00 25.00 N ATOM 1096 NH2 ARG A 71 23.730 17.125 2.570 1.00 25.00 N ATOM 0 H ARG A 71 21.910 12.768 -0.385 1.00 25.00 H new ATOM 0 HA ARG A 71 19.605 11.207 0.373 1.00 25.00 H new ATOM 0 HB2 ARG A 71 18.822 13.508 1.203 1.00 25.00 H new ATOM 0 HB3 ARG A 71 20.231 12.803 1.971 1.00 25.00 H new ATOM 0 HG2 ARG A 71 21.704 14.267 0.599 1.00 25.00 H new ATOM 0 HG3 ARG A 71 20.291 14.978 -0.155 1.00 25.00 H new ATOM 0 HD2 ARG A 71 19.582 16.029 1.833 1.00 25.00 H new ATOM 0 HD3 ARG A 71 20.468 14.919 2.859 1.00 25.00 H new ATOM 0 HE ARG A 71 21.502 17.352 1.567 1.00 25.00 H new ATOM 0 HH11 ARG A 71 22.425 14.292 3.115 1.00 25.00 H new ATOM 0 HH12 ARG A 71 24.031 14.900 3.533 1.00 25.00 H new ATOM 0 HH21 ARG A 71 23.536 18.033 2.148 1.00 25.00 H new ATOM 0 HH22 ARG A 71 24.637 16.947 3.002 1.00 25.00 H new ATOM 1110 N GLU A 72 19.479 13.112 -2.227 1.00 25.00 N ATOM 1111 CA GLU A 72 18.673 13.507 -3.388 1.00 25.00 C ATOM 1112 C GLU A 72 17.866 12.343 -3.959 1.00 25.00 C ATOM 1113 O GLU A 72 16.773 12.547 -4.458 1.00 25.00 O ATOM 1114 CB GLU A 72 19.545 14.131 -4.487 1.00 25.00 C ATOM 1115 CG GLU A 72 19.085 15.539 -4.909 1.00 25.00 C ATOM 1116 CD GLU A 72 20.246 16.529 -5.054 1.00 25.00 C ATOM 1117 OE1 GLU A 72 21.231 16.206 -5.741 1.00 25.00 O ATOM 1118 OE2 GLU A 72 20.174 17.639 -4.459 1.00 25.00 O ATOM 0 H GLU A 72 20.469 13.343 -2.313 1.00 25.00 H new ATOM 0 HA GLU A 72 17.967 14.256 -3.030 1.00 25.00 H new ATOM 0 HB2 GLU A 72 20.576 14.184 -4.136 1.00 25.00 H new ATOM 0 HB3 GLU A 72 19.538 13.478 -5.360 1.00 25.00 H new ATOM 0 HG2 GLU A 72 18.551 15.472 -5.857 1.00 25.00 H new ATOM 0 HG3 GLU A 72 18.379 15.921 -4.172 1.00 25.00 H new ATOM 1125 N GLN A 73 18.378 11.125 -3.842 1.00 25.00 N ATOM 1126 CA GLN A 73 17.656 9.937 -4.314 1.00 25.00 C ATOM 1127 C GLN A 73 16.273 9.812 -3.649 1.00 25.00 C ATOM 1128 O GLN A 73 15.299 9.415 -4.277 1.00 25.00 O ATOM 1129 CB GLN A 73 18.475 8.674 -4.017 1.00 25.00 C ATOM 1130 CG GLN A 73 19.922 8.729 -4.521 1.00 25.00 C ATOM 1131 CD GLN A 73 20.023 9.079 -5.991 1.00 25.00 C ATOM 1132 OE1 GLN A 73 19.404 8.454 -6.835 1.00 25.00 O ATOM 1133 NE2 GLN A 73 20.804 10.081 -6.300 1.00 25.00 N ATOM 0 H GLN A 73 19.288 10.927 -3.426 1.00 25.00 H new ATOM 0 HA GLN A 73 17.511 10.045 -5.389 1.00 25.00 H new ATOM 0 HB2 GLN A 73 18.484 8.505 -2.940 1.00 25.00 H new ATOM 0 HB3 GLN A 73 17.977 7.817 -4.470 1.00 25.00 H new ATOM 0 HG2 GLN A 73 20.476 9.465 -3.939 1.00 25.00 H new ATOM 0 HG3 GLN A 73 20.398 7.763 -4.349 1.00 25.00 H new ATOM 0 HE21 GLN A 73 21.307 10.581 -5.567 1.00 25.00 H new ATOM 0 HE22 GLN A 73 20.911 10.363 -7.274 1.00 25.00 H new ATOM 1142 N GLU A 74 16.188 10.181 -2.381 1.00 25.00 N ATOM 1143 CA GLU A 74 14.919 10.152 -1.652 1.00 25.00 C ATOM 1144 C GLU A 74 14.038 11.324 -2.091 1.00 25.00 C ATOM 1145 O GLU A 74 12.819 11.223 -2.159 1.00 25.00 O ATOM 1146 CB GLU A 74 15.185 10.269 -0.148 1.00 25.00 C ATOM 1147 CG GLU A 74 16.092 9.176 0.419 1.00 25.00 C ATOM 1148 CD GLU A 74 16.511 9.478 1.847 1.00 25.00 C ATOM 1149 OE1 GLU A 74 17.345 10.398 2.038 1.00 25.00 O ATOM 1150 OE2 GLU A 74 15.985 8.843 2.781 1.00 25.00 O ATOM 0 H GLU A 74 16.982 10.506 -1.829 1.00 25.00 H new ATOM 0 HA GLU A 74 14.412 9.212 -1.867 1.00 25.00 H new ATOM 0 HB2 GLU A 74 15.636 11.240 0.055 1.00 25.00 H new ATOM 0 HB3 GLU A 74 14.232 10.244 0.380 1.00 25.00 H new ATOM 0 HG2 GLU A 74 15.572 8.219 0.387 1.00 25.00 H new ATOM 0 HG3 GLU A 74 16.979 9.078 -0.207 1.00 25.00 H new ATOM 1157 N ARG A 75 14.670 12.457 -2.363 1.00 25.00 N ATOM 1158 CA ARG A 75 13.970 13.682 -2.727 1.00 25.00 C ATOM 1159 C ARG A 75 13.306 13.599 -4.097 1.00 25.00 C ATOM 1160 O ARG A 75 12.214 14.107 -4.268 1.00 25.00 O ATOM 1161 CB ARG A 75 14.959 14.849 -2.702 1.00 25.00 C ATOM 1162 CG ARG A 75 15.183 15.453 -1.309 1.00 25.00 C ATOM 1163 CD ARG A 75 15.863 14.540 -0.294 1.00 25.00 C ATOM 1164 NE ARG A 75 15.664 15.004 1.089 1.00 25.00 N ATOM 1165 CZ ARG A 75 15.875 14.266 2.175 1.00 25.00 C ATOM 1166 NH1 ARG A 75 16.312 13.037 2.104 1.00 25.00 N ATOM 1167 NH2 ARG A 75 15.636 14.772 3.352 1.00 25.00 N ATOM 0 H ARG A 75 15.685 12.553 -2.338 1.00 25.00 H new ATOM 0 HA ARG A 75 13.174 13.834 -1.999 1.00 25.00 H new ATOM 0 HB2 ARG A 75 15.916 14.508 -3.096 1.00 25.00 H new ATOM 0 HB3 ARG A 75 14.599 15.630 -3.371 1.00 25.00 H new ATOM 0 HG2 ARG A 75 15.783 16.356 -1.417 1.00 25.00 H new ATOM 0 HG3 ARG A 75 14.217 15.758 -0.906 1.00 25.00 H new ATOM 0 HD2 ARG A 75 15.470 13.528 -0.397 1.00 25.00 H new ATOM 0 HD3 ARG A 75 16.930 14.491 -0.509 1.00 25.00 H new ATOM 0 HE ARG A 75 15.341 15.962 1.224 1.00 25.00 H new ATOM 0 HH11 ARG A 75 16.502 12.615 1.195 1.00 25.00 H new ATOM 0 HH12 ARG A 75 16.463 12.499 2.958 1.00 25.00 H new ATOM 0 HH21 ARG A 75 15.290 15.728 3.435 1.00 25.00 H new ATOM 0 HH22 ARG A 75 15.795 14.212 4.190 1.00 25.00 H new ATOM 1181 N ILE A 76 13.944 12.947 -5.060 1.00 25.00 N ATOM 1182 CA ILE A 76 13.350 12.812 -6.399 1.00 25.00 C ATOM 1183 C ILE A 76 12.169 11.838 -6.395 1.00 25.00 C ATOM 1184 O ILE A 76 11.344 11.857 -7.298 1.00 25.00 O ATOM 1185 CB ILE A 76 14.401 12.379 -7.470 1.00 25.00 C ATOM 1186 CG1 ILE A 76 14.988 10.990 -7.145 1.00 25.00 C ATOM 1187 CG2 ILE A 76 15.514 13.449 -7.561 1.00 25.00 C ATOM 1188 CD1 ILE A 76 15.900 10.407 -8.233 1.00 25.00 C ATOM 0 H ILE A 76 14.858 12.507 -4.951 1.00 25.00 H new ATOM 0 HA ILE A 76 12.983 13.801 -6.672 1.00 25.00 H new ATOM 0 HB ILE A 76 13.907 12.300 -8.438 1.00 25.00 H new ATOM 0 HG12 ILE A 76 15.553 11.058 -6.215 1.00 25.00 H new ATOM 0 HG13 ILE A 76 14.166 10.296 -6.969 1.00 25.00 H new ATOM 0 HG21 ILE A 76 16.248 13.148 -8.308 1.00 25.00 H new ATOM 0 HG22 ILE A 76 15.077 14.406 -7.847 1.00 25.00 H new ATOM 0 HG23 ILE A 76 16.003 13.549 -6.592 1.00 25.00 H new ATOM 0 HD11 ILE A 76 16.265 9.430 -7.917 1.00 25.00 H new ATOM 0 HD12 ILE A 76 15.338 10.301 -9.161 1.00 25.00 H new ATOM 0 HD13 ILE A 76 16.746 11.075 -8.395 1.00 25.00 H new ATOM 1200 N ARG A 77 12.087 10.997 -5.371 1.00 25.00 N ATOM 1201 CA ARG A 77 10.974 10.069 -5.217 1.00 25.00 C ATOM 1202 C ARG A 77 9.725 10.805 -4.715 1.00 25.00 C ATOM 1203 O ARG A 77 8.612 10.332 -4.892 1.00 25.00 O ATOM 1204 CB ARG A 77 11.388 8.962 -4.234 1.00 25.00 C ATOM 1205 CG ARG A 77 10.357 7.869 -4.034 1.00 25.00 C ATOM 1206 CD ARG A 77 9.589 8.095 -2.722 1.00 25.00 C ATOM 1207 NE ARG A 77 8.439 7.191 -2.534 1.00 25.00 N ATOM 1208 CZ ARG A 77 7.204 7.416 -2.981 1.00 25.00 C ATOM 1209 NH1 ARG A 77 6.895 8.434 -3.731 1.00 25.00 N ATOM 1210 NH2 ARG A 77 6.247 6.597 -2.655 1.00 25.00 N ATOM 0 H ARG A 77 12.785 10.939 -4.629 1.00 25.00 H new ATOM 0 HA ARG A 77 10.729 9.625 -6.182 1.00 25.00 H new ATOM 0 HB2 ARG A 77 12.313 8.508 -4.589 1.00 25.00 H new ATOM 0 HB3 ARG A 77 11.606 9.417 -3.268 1.00 25.00 H new ATOM 0 HG2 ARG A 77 9.662 7.857 -4.873 1.00 25.00 H new ATOM 0 HG3 ARG A 77 10.848 6.896 -4.013 1.00 25.00 H new ATOM 0 HD2 ARG A 77 10.276 7.970 -1.885 1.00 25.00 H new ATOM 0 HD3 ARG A 77 9.236 9.126 -2.693 1.00 25.00 H new ATOM 0 HE ARG A 77 8.602 6.325 -2.021 1.00 25.00 H new ATOM 0 HH11 ARG A 77 7.614 9.104 -4.003 1.00 25.00 H new ATOM 0 HH12 ARG A 77 5.934 8.561 -4.047 1.00 25.00 H new ATOM 0 HH21 ARG A 77 6.445 5.791 -2.062 1.00 25.00 H new ATOM 0 HH22 ARG A 77 5.298 6.761 -2.992 1.00 25.00 H new ATOM 1224 N LEU A 78 9.915 11.933 -4.048 1.00 25.00 N ATOM 1225 CA LEU A 78 8.798 12.687 -3.473 1.00 25.00 C ATOM 1226 C LEU A 78 7.992 13.402 -4.558 1.00 25.00 C ATOM 1227 O LEU A 78 8.412 13.460 -5.716 1.00 25.00 O ATOM 1228 CB LEU A 78 9.322 13.687 -2.441 1.00 25.00 C ATOM 1229 CG LEU A 78 9.127 13.231 -0.989 1.00 25.00 C ATOM 1230 CD1 LEU A 78 10.013 14.068 -0.074 1.00 25.00 C ATOM 1231 CD2 LEU A 78 7.653 13.347 -0.561 1.00 25.00 C ATOM 0 H LEU A 78 10.831 12.352 -3.888 1.00 25.00 H new ATOM 0 HA LEU A 78 8.128 11.984 -2.978 1.00 25.00 H new ATOM 0 HB2 LEU A 78 10.384 13.858 -2.620 1.00 25.00 H new ATOM 0 HB3 LEU A 78 8.817 14.642 -2.584 1.00 25.00 H new ATOM 0 HG LEU A 78 9.411 12.181 -0.912 1.00 25.00 H new ATOM 0 HD11 LEU A 78 9.877 13.746 0.958 1.00 25.00 H new ATOM 0 HD12 LEU A 78 11.057 13.938 -0.360 1.00 25.00 H new ATOM 0 HD13 LEU A 78 9.740 15.119 -0.165 1.00 25.00 H new ATOM 0 HD21 LEU A 78 7.547 13.017 0.472 1.00 25.00 H new ATOM 0 HD22 LEU A 78 7.330 14.385 -0.645 1.00 25.00 H new ATOM 0 HD23 LEU A 78 7.036 12.722 -1.207 1.00 25.00 H new ATOM 1243 N PHE A 79 6.833 13.932 -4.162 1.00 25.00 N ATOM 1244 CA PHE A 79 5.872 14.539 -5.052 1.00 25.00 C ATOM 1245 C PHE A 79 5.520 13.510 -6.125 1.00 25.00 C ATOM 1246 O PHE A 79 5.481 12.335 -5.821 1.00 25.00 O ATOM 1247 CB PHE A 79 6.436 15.828 -5.607 1.00 25.00 C ATOM 1248 CG PHE A 79 6.923 16.781 -4.549 1.00 25.00 C ATOM 1249 CD1 PHE A 79 8.297 16.864 -4.246 1.00 25.00 C ATOM 1250 CD2 PHE A 79 6.021 17.611 -3.856 1.00 25.00 C ATOM 1251 CE1 PHE A 79 8.770 17.765 -3.260 1.00 25.00 C ATOM 1252 CE2 PHE A 79 6.487 18.524 -2.875 1.00 25.00 C ATOM 1253 CZ PHE A 79 7.861 18.599 -2.580 1.00 25.00 C ATOM 0 H PHE A 79 6.540 13.945 -3.185 1.00 25.00 H new ATOM 0 HA PHE A 79 4.952 14.814 -4.537 1.00 25.00 H new ATOM 0 HB2 PHE A 79 7.261 15.593 -6.279 1.00 25.00 H new ATOM 0 HB3 PHE A 79 5.669 16.322 -6.204 1.00 25.00 H new ATOM 0 HD1 PHE A 79 8.998 16.233 -4.772 1.00 25.00 H new ATOM 0 HD2 PHE A 79 4.965 17.552 -4.073 1.00 25.00 H new ATOM 0 HE1 PHE A 79 9.824 17.812 -3.031 1.00 25.00 H new ATOM 0 HE2 PHE A 79 5.787 19.161 -2.355 1.00 25.00 H new ATOM 0 HZ PHE A 79 8.218 19.294 -1.834 1.00 25.00 H new ATOM 1263 N SER A 80 5.238 13.930 -7.356 1.00 25.00 N ATOM 1264 CA SER A 80 4.894 12.981 -8.432 1.00 25.00 C ATOM 1265 C SER A 80 3.757 12.033 -8.008 1.00 25.00 C ATOM 1266 O SER A 80 3.843 10.824 -8.189 1.00 25.00 O ATOM 1267 CB SER A 80 6.139 12.179 -8.833 1.00 25.00 C ATOM 1268 OG SER A 80 7.234 13.055 -9.052 1.00 25.00 O ATOM 0 H SER A 80 5.238 14.910 -7.640 1.00 25.00 H new ATOM 0 HA SER A 80 4.540 13.553 -9.290 1.00 25.00 H new ATOM 0 HB2 SER A 80 6.387 11.463 -8.050 1.00 25.00 H new ATOM 0 HB3 SER A 80 5.936 11.605 -9.737 1.00 25.00 H new ATOM 0 HG SER A 80 8.024 12.534 -9.306 1.00 25.00 H new ATOM 1274 N ALA A 81 2.716 12.643 -7.437 1.00 25.00 N ATOM 1275 CA ALA A 81 1.505 11.995 -6.901 1.00 25.00 C ATOM 1276 C ALA A 81 1.657 11.333 -5.525 1.00 25.00 C ATOM 1277 O ALA A 81 0.752 10.661 -5.038 1.00 25.00 O ATOM 1278 CB ALA A 81 0.874 11.052 -7.924 1.00 25.00 C ATOM 0 H ALA A 81 2.688 13.657 -7.328 1.00 25.00 H new ATOM 0 HA ALA A 81 0.817 12.820 -6.716 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -0.016 10.592 -7.495 1.00 25.00 H new ATOM 0 HB2 ALA A 81 0.597 11.615 -8.816 1.00 25.00 H new ATOM 0 HB3 ALA A 81 1.590 10.275 -8.193 1.00 25.00 H new ATOM 1284 N ASP A 82 2.740 11.685 -4.863 1.00 25.00 N ATOM 1285 CA ASP A 82 2.919 11.439 -3.427 1.00 25.00 C ATOM 1286 C ASP A 82 2.659 12.823 -2.794 1.00 25.00 C ATOM 1287 O ASP A 82 2.587 13.826 -3.528 1.00 25.00 O ATOM 1288 CB ASP A 82 4.337 10.923 -3.132 1.00 25.00 C ATOM 1289 CG ASP A 82 4.336 9.543 -2.492 1.00 25.00 C ATOM 1290 OD1 ASP A 82 4.043 8.550 -3.199 1.00 25.00 O ATOM 1291 OD2 ASP A 82 4.752 9.426 -1.321 1.00 25.00 O ATOM 0 H ASP A 82 3.533 12.154 -5.300 1.00 25.00 H new ATOM 0 HA ASP A 82 2.254 10.672 -3.031 1.00 25.00 H new ATOM 0 HB2 ASP A 82 4.907 10.889 -4.060 1.00 25.00 H new ATOM 0 HB3 ASP A 82 4.845 11.625 -2.471 1.00 25.00 H new ATOM 1296 N PRO A 83 2.467 12.909 -1.461 1.00 25.00 N ATOM 1297 CA PRO A 83 2.082 14.208 -0.885 1.00 25.00 C ATOM 1298 C PRO A 83 3.148 15.307 -0.940 1.00 25.00 C ATOM 1299 O PRO A 83 4.334 15.054 -1.163 1.00 25.00 O ATOM 1300 CB PRO A 83 1.753 13.846 0.568 1.00 25.00 C ATOM 1301 CG PRO A 83 2.595 12.695 0.849 1.00 25.00 C ATOM 1302 CD PRO A 83 2.525 11.878 -0.408 1.00 25.00 C ATOM 0 HA PRO A 83 1.266 14.649 -1.457 1.00 25.00 H new ATOM 0 HB2 PRO A 83 1.971 14.673 1.244 1.00 25.00 H new ATOM 0 HB3 PRO A 83 0.697 13.606 0.689 1.00 25.00 H new ATOM 0 HG2 PRO A 83 3.619 12.995 1.074 1.00 25.00 H new ATOM 0 HG3 PRO A 83 2.231 12.135 1.710 1.00 25.00 H new ATOM 0 HD2 PRO A 83 3.396 11.233 -0.521 1.00 25.00 H new ATOM 0 HD3 PRO A 83 1.646 11.233 -0.424 1.00 25.00 H new ATOM 1310 N PHE A 84 2.697 16.540 -0.727 1.00 25.00 N ATOM 1311 CA PHE A 84 3.564 17.724 -0.801 1.00 25.00 C ATOM 1312 C PHE A 84 3.776 18.339 0.559 1.00 25.00 C ATOM 1313 O PHE A 84 4.540 19.276 0.766 1.00 25.00 O ATOM 1314 CB PHE A 84 2.938 18.762 -1.743 1.00 25.00 C ATOM 1315 CG PHE A 84 1.592 19.265 -1.273 1.00 25.00 C ATOM 1316 CD1 PHE A 84 0.405 18.640 -1.704 1.00 25.00 C ATOM 1317 CD2 PHE A 84 1.505 20.359 -0.389 1.00 25.00 C ATOM 1318 CE1 PHE A 84 -0.859 19.093 -1.248 1.00 25.00 C ATOM 1319 CE2 PHE A 84 0.247 20.820 0.074 1.00 25.00 C ATOM 1320 CZ PHE A 84 -0.935 20.181 -0.353 1.00 25.00 C ATOM 0 H PHE A 84 1.726 16.752 -0.499 1.00 25.00 H new ATOM 0 HA PHE A 84 4.534 17.409 -1.185 1.00 25.00 H new ATOM 0 HB2 PHE A 84 3.619 19.607 -1.844 1.00 25.00 H new ATOM 0 HB3 PHE A 84 2.827 18.322 -2.734 1.00 25.00 H new ATOM 0 HD1 PHE A 84 0.458 17.807 -2.389 1.00 25.00 H new ATOM 0 HD2 PHE A 84 2.408 20.852 -0.060 1.00 25.00 H new ATOM 0 HE1 PHE A 84 -1.762 18.606 -1.585 1.00 25.00 H new ATOM 0 HE2 PHE A 84 0.194 21.659 0.752 1.00 25.00 H new ATOM 0 HZ PHE A 84 -1.895 20.523 0.004 1.00 25.00 H new ATOM 1330 N ASP A 85 3.072 17.748 1.481 1.00 25.00 N ATOM 1331 CA ASP A 85 3.000 18.151 2.873 1.00 25.00 C ATOM 1332 C ASP A 85 3.883 17.210 3.669 1.00 25.00 C ATOM 1333 O ASP A 85 3.556 16.772 4.753 1.00 25.00 O ATOM 1334 CB ASP A 85 1.538 18.128 3.355 1.00 25.00 C ATOM 1335 CG ASP A 85 0.762 16.888 2.872 1.00 25.00 C ATOM 1336 OD1 ASP A 85 0.560 16.733 1.635 1.00 25.00 O ATOM 1337 OD2 ASP A 85 0.318 16.095 3.722 1.00 25.00 O ATOM 0 H ASP A 85 2.499 16.928 1.281 1.00 25.00 H new ATOM 0 HA ASP A 85 3.355 19.173 3.009 1.00 25.00 H new ATOM 0 HB2 ASP A 85 1.520 18.159 4.444 1.00 25.00 H new ATOM 0 HB3 ASP A 85 1.031 19.026 3.003 1.00 25.00 H new ATOM 1342 N LEU A 86 5.040 16.923 3.099 1.00 25.00 N ATOM 1343 CA LEU A 86 6.018 16.047 3.730 1.00 25.00 C ATOM 1344 C LEU A 86 6.505 16.607 5.074 1.00 25.00 C ATOM 1345 O LEU A 86 6.811 15.851 5.986 1.00 25.00 O ATOM 1346 CB LEU A 86 7.209 15.831 2.782 1.00 25.00 C ATOM 1347 CG LEU A 86 7.897 17.100 2.240 1.00 25.00 C ATOM 1348 CD1 LEU A 86 9.398 17.043 2.500 1.00 25.00 C ATOM 1349 CD2 LEU A 86 7.625 17.275 0.748 1.00 25.00 C ATOM 0 H LEU A 86 5.329 17.287 2.191 1.00 25.00 H new ATOM 0 HA LEU A 86 5.532 15.092 3.932 1.00 25.00 H new ATOM 0 HB2 LEU A 86 7.957 15.234 3.304 1.00 25.00 H new ATOM 0 HB3 LEU A 86 6.866 15.240 1.933 1.00 25.00 H new ATOM 0 HG LEU A 86 7.481 17.960 2.765 1.00 25.00 H new ATOM 0 HD11 LEU A 86 9.869 17.946 2.112 1.00 25.00 H new ATOM 0 HD12 LEU A 86 9.579 16.972 3.573 1.00 25.00 H new ATOM 0 HD13 LEU A 86 9.821 16.170 2.002 1.00 25.00 H new ATOM 0 HD21 LEU A 86 8.122 18.177 0.391 1.00 25.00 H new ATOM 0 HD22 LEU A 86 8.008 16.411 0.205 1.00 25.00 H new ATOM 0 HD23 LEU A 86 6.551 17.362 0.582 1.00 25.00 H new ATOM 1361 N GLU A 87 6.607 17.929 5.184 1.00 25.00 N ATOM 1362 CA GLU A 87 7.001 18.548 6.454 1.00 25.00 C ATOM 1363 C GLU A 87 5.782 18.725 7.368 1.00 25.00 C ATOM 1364 O GLU A 87 5.818 18.339 8.529 1.00 25.00 O ATOM 1365 CB GLU A 87 7.728 19.882 6.229 1.00 25.00 C ATOM 1366 CG GLU A 87 9.104 19.710 5.555 1.00 25.00 C ATOM 1367 CD GLU A 87 9.944 20.995 5.552 1.00 25.00 C ATOM 1368 OE1 GLU A 87 11.193 20.906 5.685 1.00 25.00 O ATOM 1369 OE2 GLU A 87 9.365 22.088 5.390 1.00 25.00 O ATOM 0 H GLU A 87 6.426 18.586 4.425 1.00 25.00 H new ATOM 0 HA GLU A 87 7.704 17.879 6.950 1.00 25.00 H new ATOM 0 HB2 GLU A 87 7.105 20.530 5.612 1.00 25.00 H new ATOM 0 HB3 GLU A 87 7.859 20.385 7.187 1.00 25.00 H new ATOM 0 HG2 GLU A 87 9.657 18.924 6.069 1.00 25.00 H new ATOM 0 HG3 GLU A 87 8.958 19.377 4.527 1.00 25.00 H new ATOM 1376 N ALA A 88 4.728 19.331 6.818 1.00 25.00 N ATOM 1377 CA ALA A 88 3.431 19.579 7.493 1.00 25.00 C ATOM 1378 C ALA A 88 3.434 20.267 8.886 1.00 25.00 C ATOM 1379 O ALA A 88 2.389 20.390 9.512 1.00 25.00 O ATOM 1380 CB ALA A 88 2.634 18.261 7.558 1.00 25.00 C ATOM 0 H ALA A 88 4.744 19.678 5.859 1.00 25.00 H new ATOM 0 HA ALA A 88 2.962 20.334 6.862 1.00 25.00 H new ATOM 0 HB1 ALA A 88 1.679 18.437 8.053 1.00 25.00 H new ATOM 0 HB2 ALA A 88 2.456 17.893 6.547 1.00 25.00 H new ATOM 0 HB3 ALA A 88 3.202 17.519 8.119 1.00 25.00 H new ATOM 1386 N GLN A 89 4.582 20.730 9.360 1.00 25.00 N ATOM 1387 CA GLN A 89 4.694 21.308 10.708 1.00 25.00 C ATOM 1388 C GLN A 89 4.468 22.808 10.768 1.00 25.00 C ATOM 1389 O GLN A 89 4.686 23.444 11.782 1.00 25.00 O ATOM 1390 CB GLN A 89 6.073 20.980 11.275 1.00 25.00 C ATOM 1391 CG GLN A 89 6.238 19.519 11.672 1.00 25.00 C ATOM 1392 CD GLN A 89 7.672 19.053 11.564 1.00 25.00 C ATOM 1393 OE1 GLN A 89 8.510 19.384 12.385 1.00 25.00 O ATOM 1394 NE2 GLN A 89 7.959 18.285 10.547 1.00 25.00 N ATOM 0 H GLN A 89 5.457 20.720 8.835 1.00 25.00 H new ATOM 0 HA GLN A 89 3.897 20.861 11.302 1.00 25.00 H new ATOM 0 HB2 GLN A 89 6.831 21.234 10.534 1.00 25.00 H new ATOM 0 HB3 GLN A 89 6.257 21.608 12.147 1.00 25.00 H new ATOM 0 HG2 GLN A 89 5.890 19.382 12.696 1.00 25.00 H new ATOM 0 HG3 GLN A 89 5.608 18.898 11.035 1.00 25.00 H new ATOM 0 HE21 GLN A 89 7.231 18.029 9.880 1.00 25.00 H new ATOM 0 HE22 GLN A 89 8.911 17.942 10.420 1.00 25.00 H new ATOM 1403 N ALA A 90 4.007 23.312 9.642 1.00 25.00 N ATOM 1404 CA ALA A 90 3.739 24.741 9.383 1.00 25.00 C ATOM 1405 C ALA A 90 4.880 25.696 9.767 1.00 25.00 C ATOM 1406 O ALA A 90 5.105 26.032 10.922 1.00 25.00 O ATOM 1407 CB ALA A 90 2.465 25.177 10.033 1.00 25.00 C ATOM 0 H ALA A 90 3.794 22.724 8.837 1.00 25.00 H new ATOM 0 HA ALA A 90 3.648 24.810 8.299 1.00 25.00 H new ATOM 0 HB1 ALA A 90 2.293 26.233 9.825 1.00 25.00 H new ATOM 0 HB2 ALA A 90 1.636 24.590 9.638 1.00 25.00 H new ATOM 0 HB3 ALA A 90 2.536 25.026 11.110 1.00 25.00 H new ATOM 1413 N LYS A 91 5.587 26.140 8.748 1.00 25.00 N ATOM 1414 CA LYS A 91 6.754 26.996 8.950 1.00 25.00 C ATOM 1415 C LYS A 91 6.366 28.368 9.495 1.00 25.00 C ATOM 1416 O LYS A 91 5.297 28.896 9.187 1.00 25.00 O ATOM 1417 CB LYS A 91 7.556 27.148 7.648 1.00 25.00 C ATOM 1418 CG LYS A 91 6.899 28.019 6.571 1.00 25.00 C ATOM 1419 CD LYS A 91 7.816 28.138 5.371 1.00 25.00 C ATOM 1420 CE LYS A 91 7.396 29.281 4.448 1.00 25.00 C ATOM 1421 NZ LYS A 91 8.486 29.592 3.457 1.00 25.00 N ATOM 0 H LYS A 91 5.381 25.927 7.772 1.00 25.00 H new ATOM 0 HA LYS A 91 7.383 26.508 9.695 1.00 25.00 H new ATOM 0 HB2 LYS A 91 8.531 27.571 7.889 1.00 25.00 H new ATOM 0 HB3 LYS A 91 7.733 26.156 7.232 1.00 25.00 H new ATOM 0 HG2 LYS A 91 5.947 27.583 6.270 1.00 25.00 H new ATOM 0 HG3 LYS A 91 6.683 29.009 6.974 1.00 25.00 H new ATOM 0 HD2 LYS A 91 8.839 28.301 5.710 1.00 25.00 H new ATOM 0 HD3 LYS A 91 7.810 27.201 4.815 1.00 25.00 H new ATOM 0 HE2 LYS A 91 6.482 29.011 3.918 1.00 25.00 H new ATOM 0 HE3 LYS A 91 7.171 30.169 5.039 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 8.898 30.522 3.674 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 9.226 28.864 3.515 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 8.088 29.606 2.496 1.00 25.00 H new ATOM 1435 N ILE A 92 7.278 28.953 10.253 1.00 25.00 N ATOM 1436 CA ILE A 92 7.139 30.309 10.760 1.00 25.00 C ATOM 1437 C ILE A 92 8.456 30.954 10.368 1.00 25.00 C ATOM 1438 O ILE A 92 9.518 30.444 10.706 1.00 25.00 O ATOM 1439 CB ILE A 92 6.946 30.353 12.310 1.00 25.00 C ATOM 1440 CG1 ILE A 92 5.657 29.595 12.705 1.00 25.00 C ATOM 1441 CG2 ILE A 92 6.881 31.830 12.803 1.00 25.00 C ATOM 1442 CD1 ILE A 92 5.475 29.387 14.220 1.00 25.00 C ATOM 0 H ILE A 92 8.145 28.496 10.537 1.00 25.00 H new ATOM 0 HA ILE A 92 6.260 30.811 10.357 1.00 25.00 H new ATOM 0 HB ILE A 92 7.797 29.867 12.786 1.00 25.00 H new ATOM 0 HG12 ILE A 92 4.797 30.143 12.321 1.00 25.00 H new ATOM 0 HG13 ILE A 92 5.659 28.621 12.215 1.00 25.00 H new ATOM 0 HG21 ILE A 92 6.746 31.847 13.885 1.00 25.00 H new ATOM 0 HG22 ILE A 92 7.809 32.341 12.545 1.00 25.00 H new ATOM 0 HG23 ILE A 92 6.043 32.337 12.325 1.00 25.00 H new ATOM 0 HD11 ILE A 92 4.546 28.848 14.404 1.00 25.00 H new ATOM 0 HD12 ILE A 92 6.313 28.810 14.611 1.00 25.00 H new ATOM 0 HD13 ILE A 92 5.437 30.356 14.718 1.00 25.00 H new ATOM 1454 N GLU A 93 8.380 32.020 9.596 1.00 25.00 N ATOM 1455 CA GLU A 93 9.553 32.709 9.085 1.00 25.00 C ATOM 1456 C GLU A 93 9.337 34.196 9.292 1.00 25.00 C ATOM 1457 O GLU A 93 8.212 34.633 9.540 1.00 25.00 O ATOM 1458 CB GLU A 93 9.712 32.432 7.590 1.00 25.00 C ATOM 1459 CG GLU A 93 10.068 30.992 7.268 1.00 25.00 C ATOM 1460 CD GLU A 93 10.280 30.769 5.778 1.00 25.00 C ATOM 1461 OE1 GLU A 93 9.781 31.586 4.977 1.00 25.00 O ATOM 1462 OE2 GLU A 93 10.793 29.696 5.393 1.00 25.00 O ATOM 0 H GLU A 93 7.497 32.437 9.302 1.00 25.00 H new ATOM 0 HA GLU A 93 10.448 32.365 9.603 1.00 25.00 H new ATOM 0 HB2 GLU A 93 8.783 32.689 7.082 1.00 25.00 H new ATOM 0 HB3 GLU A 93 10.486 33.086 7.189 1.00 25.00 H new ATOM 0 HG2 GLU A 93 10.974 30.715 7.807 1.00 25.00 H new ATOM 0 HG3 GLU A 93 9.273 30.336 7.622 1.00 25.00 H new ATOM 1469 N GLU A 94 10.400 34.969 9.148 1.00 25.00 N ATOM 1470 CA GLU A 94 10.330 36.417 9.251 1.00 25.00 C ATOM 1471 C GLU A 94 10.869 37.008 7.955 1.00 25.00 C ATOM 1472 O GLU A 94 11.698 36.395 7.276 1.00 25.00 O ATOM 1473 CB GLU A 94 11.143 36.914 10.455 1.00 25.00 C ATOM 1474 CG GLU A 94 12.635 36.542 10.411 1.00 25.00 C ATOM 1475 CD GLU A 94 13.431 37.179 11.544 1.00 25.00 C ATOM 1476 OE1 GLU A 94 12.852 37.447 12.618 1.00 25.00 O ATOM 1477 OE2 GLU A 94 14.636 37.446 11.338 1.00 25.00 O ATOM 0 H GLU A 94 11.336 34.611 8.956 1.00 25.00 H new ATOM 0 HA GLU A 94 9.298 36.732 9.404 1.00 25.00 H new ATOM 0 HB2 GLU A 94 11.053 37.999 10.516 1.00 25.00 H new ATOM 0 HB3 GLU A 94 10.706 36.506 11.366 1.00 25.00 H new ATOM 0 HG2 GLU A 94 12.737 35.458 10.465 1.00 25.00 H new ATOM 0 HG3 GLU A 94 13.056 36.855 9.455 1.00 25.00 H new ATOM 1484 N ASP A 95 10.408 38.202 7.618 1.00 25.00 N ATOM 1485 CA ASP A 95 10.873 38.899 6.423 1.00 25.00 C ATOM 1486 C ASP A 95 11.400 40.266 6.831 1.00 25.00 C ATOM 1487 O ASP A 95 10.798 41.301 6.557 1.00 25.00 O ATOM 1488 CB ASP A 95 9.759 39.035 5.383 1.00 25.00 C ATOM 1489 CG ASP A 95 10.277 39.562 4.056 1.00 25.00 C ATOM 1490 OD1 ASP A 95 11.468 39.314 3.755 1.00 25.00 O ATOM 1491 OD2 ASP A 95 9.512 40.194 3.303 1.00 25.00 O ATOM 0 H ASP A 95 9.709 38.713 8.156 1.00 25.00 H new ATOM 0 HA ASP A 95 11.670 38.318 5.959 1.00 25.00 H new ATOM 0 HB2 ASP A 95 9.288 38.064 5.228 1.00 25.00 H new ATOM 0 HB3 ASP A 95 8.989 39.706 5.763 1.00 25.00 H new ATOM 1496 N ILE A 96 12.521 40.263 7.538 1.00 25.00 N ATOM 1497 CA ILE A 96 13.127 41.504 8.028 1.00 25.00 C ATOM 1498 C ILE A 96 13.985 42.098 6.901 1.00 25.00 C ATOM 1499 O ILE A 96 15.166 42.410 7.061 1.00 25.00 O ATOM 1500 CB ILE A 96 13.949 41.279 9.351 1.00 25.00 C ATOM 1501 CG1 ILE A 96 13.144 40.422 10.358 1.00 25.00 C ATOM 1502 CG2 ILE A 96 14.320 42.644 10.027 1.00 25.00 C ATOM 1503 CD1 ILE A 96 11.777 41.009 10.825 1.00 25.00 C ATOM 0 H ILE A 96 13.034 39.417 7.788 1.00 25.00 H new ATOM 0 HA ILE A 96 12.343 42.213 8.295 1.00 25.00 H new ATOM 0 HB ILE A 96 14.865 40.756 9.077 1.00 25.00 H new ATOM 0 HG12 ILE A 96 12.962 39.446 9.908 1.00 25.00 H new ATOM 0 HG13 ILE A 96 13.764 40.256 11.239 1.00 25.00 H new ATOM 0 HG21 ILE A 96 14.887 42.456 10.939 1.00 25.00 H new ATOM 0 HG22 ILE A 96 14.923 43.238 9.340 1.00 25.00 H new ATOM 0 HG23 ILE A 96 13.408 43.188 10.273 1.00 25.00 H new ATOM 0 HD11 ILE A 96 11.307 40.321 11.527 1.00 25.00 H new ATOM 0 HD12 ILE A 96 11.941 41.970 11.313 1.00 25.00 H new ATOM 0 HD13 ILE A 96 11.126 41.147 9.962 1.00 25.00 H new ATOM 1515 N ARG A 97 13.356 42.284 5.749 1.00 25.00 N ATOM 1516 CA ARG A 97 13.987 42.919 4.588 1.00 25.00 C ATOM 1517 C ARG A 97 13.888 44.437 4.758 1.00 25.00 C ATOM 1518 O ARG A 97 13.534 45.180 3.857 1.00 25.00 O ATOM 1519 CB ARG A 97 13.286 42.450 3.300 1.00 25.00 C ATOM 1520 CG ARG A 97 13.927 41.215 2.687 1.00 25.00 C ATOM 1521 CD ARG A 97 13.204 40.806 1.405 1.00 25.00 C ATOM 1522 NE ARG A 97 13.939 39.754 0.678 1.00 25.00 N ATOM 1523 CZ ARG A 97 13.814 38.444 0.871 1.00 25.00 C ATOM 1524 NH1 ARG A 97 12.989 37.932 1.752 1.00 25.00 N ATOM 1525 NH2 ARG A 97 14.543 37.630 0.154 1.00 25.00 N ATOM 0 H ARG A 97 12.390 42.000 5.587 1.00 25.00 H new ATOM 0 HA ARG A 97 15.038 42.638 4.515 1.00 25.00 H new ATOM 0 HB2 ARG A 97 12.240 42.238 3.520 1.00 25.00 H new ATOM 0 HB3 ARG A 97 13.301 43.260 2.570 1.00 25.00 H new ATOM 0 HG2 ARG A 97 14.976 41.415 2.470 1.00 25.00 H new ATOM 0 HG3 ARG A 97 13.900 40.393 3.403 1.00 25.00 H new ATOM 0 HD2 ARG A 97 12.204 40.449 1.649 1.00 25.00 H new ATOM 0 HD3 ARG A 97 13.083 41.677 0.761 1.00 25.00 H new ATOM 0 HE ARG A 97 14.601 40.058 -0.036 1.00 25.00 H new ATOM 0 HH11 ARG A 97 12.409 38.546 2.324 1.00 25.00 H new ATOM 0 HH12 ARG A 97 12.927 36.920 1.865 1.00 25.00 H new ATOM 0 HH21 ARG A 97 15.193 38.003 -0.538 1.00 25.00 H new ATOM 0 HH22 ARG A 97 14.462 36.622 0.287 1.00 25.00 H new ATOM 1539 N GLN A 98 14.200 44.919 5.956 1.00 25.00 N ATOM 1540 CA GLN A 98 14.139 46.341 6.288 1.00 25.00 C ATOM 1541 C GLN A 98 15.145 46.707 7.375 1.00 25.00 C ATOM 1542 O GLN A 98 16.007 47.546 7.244 1.00 25.00 O ATOM 1543 CB GLN A 98 12.699 46.767 6.657 1.00 25.00 C ATOM 1544 CG GLN A 98 12.553 48.295 6.576 1.00 25.00 C ATOM 1545 CD GLN A 98 11.113 48.697 6.743 1.00 25.00 C ATOM 1546 OE1 GLN A 98 10.544 48.731 7.805 1.00 25.00 O ATOM 1547 NE2 GLN A 98 10.474 49.026 5.631 1.00 25.00 N ATOM 1548 OXT GLN A 98 15.050 45.999 8.457 1.00 25.00 O ATOM 0 H GLN A 98 14.505 44.331 6.731 1.00 25.00 H new ATOM 0 HA GLN A 98 14.422 46.903 5.398 1.00 25.00 H new ATOM 0 HB2 GLN A 98 11.988 46.291 5.981 1.00 25.00 H new ATOM 0 HB3 GLN A 98 12.459 46.426 7.664 1.00 25.00 H new ATOM 0 HG2 GLN A 98 13.160 48.766 7.349 1.00 25.00 H new ATOM 0 HG3 GLN A 98 12.927 48.651 5.616 1.00 25.00 H new ATOM 0 HE21 GLN A 98 10.961 48.995 4.735 1.00 25.00 H new ATOM 0 HE22 GLN A 98 9.495 49.310 5.670 1.00 25.00 H new TER 1558 GLN A 98