USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -129:sc= 1.29 (180deg=-0.00536) USER MOD Single : A 3 THR OG1 : rot 12:sc= 0.288 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00673 USER MOD Single : A 8 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-1.9) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 56 HIS : no HD1:sc= -0.101 K(o=-0.1,f=-0.68) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 62 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.7) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.292 USER MOD Single : A 64 GLN : amide:sc=-0.00268 K(o=-0.0027,f=-0.81) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0979 K(o=-0.098,f=-0.88) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0383) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -123:sc= 1.25 (180deg=-0.306) USER MOD Single : A 105 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.17) USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= -0.0181 (180deg=-0.213) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc=-0.00904 K(o=-0.009,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.647 -8.292 -0.364 1.00 0.00 N ATOM 2 CA ALA A 1 12.353 -8.125 -1.640 1.00 0.00 C ATOM 3 C ALA A 1 11.293 -7.992 -2.709 1.00 0.00 C ATOM 4 O ALA A 1 10.385 -8.819 -2.736 1.00 0.00 O ATOM 5 CB ALA A 1 13.341 -9.263 -1.895 1.00 0.00 C ATOM 0 H1 ALA A 1 12.018 -7.611 0.330 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.630 -8.124 -0.505 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.792 -9.259 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 1 12.976 -7.230 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.843 -9.102 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.081 -9.288 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.804 -10.211 -1.923 1.00 0.00 H new ATOM 11 N LEU A 2 11.408 -6.956 -3.552 1.00 0.00 N ATOM 12 CA LEU A 2 10.484 -6.612 -4.630 1.00 0.00 C ATOM 13 C LEU A 2 9.827 -7.848 -5.271 1.00 0.00 C ATOM 14 O LEU A 2 10.465 -8.562 -6.052 1.00 0.00 O ATOM 15 CB LEU A 2 11.176 -5.784 -5.733 1.00 0.00 C ATOM 16 CG LEU A 2 11.608 -4.348 -5.396 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.173 -3.686 -6.658 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.461 -3.510 -4.817 1.00 0.00 C ATOM 0 H LEU A 2 12.191 -6.305 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 2 9.703 -6.013 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.062 -6.332 -6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.501 -5.737 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 2 12.375 -4.399 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.482 -2.667 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.033 -4.254 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.407 -3.666 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.820 -2.505 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.649 -3.454 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.098 -3.975 -3.900 1.00 0.00 H new ATOM 30 N THR A 3 8.556 -8.093 -4.951 1.00 0.00 N ATOM 31 CA THR A 3 7.745 -9.205 -5.433 1.00 0.00 C ATOM 32 C THR A 3 6.270 -8.817 -5.314 1.00 0.00 C ATOM 33 O THR A 3 5.912 -8.026 -4.438 1.00 0.00 O ATOM 34 CB THR A 3 8.058 -10.440 -4.556 1.00 0.00 C ATOM 35 OG1 THR A 3 9.344 -10.944 -4.853 1.00 0.00 O ATOM 36 CG2 THR A 3 7.092 -11.611 -4.684 1.00 0.00 C ATOM 0 H THR A 3 8.039 -7.487 -4.314 1.00 0.00 H new ATOM 0 HA THR A 3 7.965 -9.438 -6.475 1.00 0.00 H new ATOM 0 HB THR A 3 7.971 -10.054 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.829 -10.297 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.410 -12.419 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.089 -11.288 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.085 -11.966 -5.715 1.00 0.00 H new ATOM 44 N THR A 4 5.434 -9.339 -6.212 1.00 0.00 N ATOM 45 CA THR A 4 3.994 -9.111 -6.227 1.00 0.00 C ATOM 46 C THR A 4 3.345 -10.212 -5.387 1.00 0.00 C ATOM 47 O THR A 4 3.762 -11.374 -5.477 1.00 0.00 O ATOM 48 CB THR A 4 3.425 -9.079 -7.659 1.00 0.00 C ATOM 49 OG1 THR A 4 4.220 -9.810 -8.582 1.00 0.00 O ATOM 50 CG2 THR A 4 3.330 -7.628 -8.137 1.00 0.00 C ATOM 0 H THR A 4 5.751 -9.947 -6.967 1.00 0.00 H new ATOM 0 HA THR A 4 3.772 -8.131 -5.804 1.00 0.00 H new ATOM 0 HB THR A 4 2.441 -9.547 -7.622 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.816 -9.760 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.928 -7.604 -9.150 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.672 -7.068 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.322 -7.177 -8.130 1.00 0.00 H new ATOM 58 N ILE A 5 2.324 -9.855 -4.607 1.00 0.00 N ATOM 59 CA ILE A 5 1.613 -10.770 -3.729 1.00 0.00 C ATOM 60 C ILE A 5 0.097 -10.571 -3.846 1.00 0.00 C ATOM 61 O ILE A 5 -0.388 -9.437 -3.799 1.00 0.00 O ATOM 62 CB ILE A 5 2.180 -10.641 -2.298 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.344 -11.470 -1.309 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.368 -9.178 -1.832 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.155 -11.784 -0.058 1.00 0.00 C ATOM 0 H ILE A 5 1.965 -8.901 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 5 1.776 -11.805 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 5 3.189 -11.054 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.442 -10.922 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.022 -12.397 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.769 -9.168 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.061 -8.669 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.406 -8.665 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.548 -12.371 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.044 -12.352 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.454 -10.854 0.425 1.00 0.00 H new ATOM 77 N SER A 6 -0.625 -11.684 -3.987 1.00 0.00 N ATOM 78 CA SER A 6 -2.071 -11.777 -4.127 1.00 0.00 C ATOM 79 C SER A 6 -2.820 -11.169 -2.925 1.00 0.00 C ATOM 80 O SER A 6 -2.296 -11.132 -1.809 1.00 0.00 O ATOM 81 CB SER A 6 -2.412 -13.254 -4.333 1.00 0.00 C ATOM 82 OG SER A 6 -1.624 -13.772 -5.390 1.00 0.00 O ATOM 0 H SER A 6 -0.182 -12.602 -4.007 1.00 0.00 H new ATOM 0 HA SER A 6 -2.400 -11.190 -4.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.225 -13.814 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.471 -13.366 -4.565 1.00 0.00 H new ATOM 0 HG SER A 6 -1.838 -14.719 -5.524 1.00 0.00 H new ATOM 88 N PRO A 7 -4.090 -10.757 -3.096 1.00 0.00 N ATOM 89 CA PRO A 7 -4.887 -10.137 -2.041 1.00 0.00 C ATOM 90 C PRO A 7 -5.367 -11.094 -0.950 1.00 0.00 C ATOM 91 O PRO A 7 -5.814 -10.631 0.097 1.00 0.00 O ATOM 92 CB PRO A 7 -6.067 -9.493 -2.762 1.00 0.00 C ATOM 93 CG PRO A 7 -6.268 -10.409 -3.964 1.00 0.00 C ATOM 94 CD PRO A 7 -4.836 -10.756 -4.341 1.00 0.00 C ATOM 0 HA PRO A 7 -4.271 -9.423 -1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.954 -9.454 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.846 -8.470 -3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.849 -11.295 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.793 -9.907 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.785 -11.729 -4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.428 -10.027 -5.041 1.00 0.00 H new ATOM 102 N HIS A 8 -5.328 -12.401 -1.199 1.00 0.00 N ATOM 103 CA HIS A 8 -5.739 -13.438 -0.261 1.00 0.00 C ATOM 104 C HIS A 8 -4.703 -13.502 0.854 1.00 0.00 C ATOM 105 O HIS A 8 -5.014 -13.311 2.027 1.00 0.00 O ATOM 106 CB HIS A 8 -5.861 -14.760 -1.027 1.00 0.00 C ATOM 107 CG HIS A 8 -5.971 -15.990 -0.160 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.142 -16.613 0.197 1.00 0.00 N ATOM 109 CD2 HIS A 8 -4.935 -16.729 0.349 1.00 0.00 C ATOM 110 CE1 HIS A 8 -6.824 -17.708 0.908 1.00 0.00 C ATOM 111 NE2 HIS A 8 -5.489 -17.814 1.037 1.00 0.00 N ATOM 0 H HIS A 8 -4.999 -12.777 -2.088 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.708 -13.226 0.191 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.738 -14.709 -1.673 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.992 -14.868 -1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.883 -16.513 0.239 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.540 -18.405 1.318 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.980 -18.543 1.538 1.00 0.00 H new ATOM 119 N ASP A 9 -3.458 -13.708 0.441 1.00 0.00 N ATOM 120 CA ASP A 9 -2.261 -13.805 1.262 1.00 0.00 C ATOM 121 C ASP A 9 -2.128 -12.501 2.023 1.00 0.00 C ATOM 122 O ASP A 9 -1.919 -12.474 3.237 1.00 0.00 O ATOM 123 CB ASP A 9 -1.038 -13.972 0.347 1.00 0.00 C ATOM 124 CG ASP A 9 -1.032 -15.277 -0.436 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.970 -15.479 -1.246 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.064 -16.055 -0.301 1.00 0.00 O ATOM 0 H ASP A 9 -3.245 -13.820 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.324 -14.653 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.004 -13.138 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.133 -13.918 0.952 1.00 0.00 H new ATOM 131 N ALA A 10 -2.302 -11.404 1.281 1.00 0.00 N ATOM 132 CA ALA A 10 -2.225 -10.073 1.814 1.00 0.00 C ATOM 133 C ALA A 10 -3.264 -9.840 2.906 1.00 0.00 C ATOM 134 O ALA A 10 -2.917 -9.175 3.875 1.00 0.00 O ATOM 135 CB ALA A 10 -2.271 -9.059 0.680 1.00 0.00 C ATOM 0 H ALA A 10 -2.502 -11.433 0.281 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.267 -9.938 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.212 -8.051 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.430 -9.227 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.204 -9.172 0.128 1.00 0.00 H new ATOM 141 N GLN A 11 -4.479 -10.404 2.822 1.00 0.00 N ATOM 142 CA GLN A 11 -5.515 -10.220 3.841 1.00 0.00 C ATOM 143 C GLN A 11 -5.084 -10.835 5.187 1.00 0.00 C ATOM 144 O GLN A 11 -5.697 -10.556 6.224 1.00 0.00 O ATOM 145 CB GLN A 11 -6.855 -10.807 3.332 1.00 0.00 C ATOM 146 CG GLN A 11 -8.061 -10.441 4.214 1.00 0.00 C ATOM 147 CD GLN A 11 -9.404 -11.031 3.762 1.00 0.00 C ATOM 148 OE1 GLN A 11 -9.468 -12.073 3.109 1.00 0.00 O ATOM 149 NE2 GLN A 11 -10.522 -10.407 4.101 1.00 0.00 N ATOM 0 H GLN A 11 -4.767 -10.999 2.045 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.659 -9.154 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.036 -10.452 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.770 -11.892 3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.860 -10.774 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.152 -9.355 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.480 -9.543 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.425 -10.790 3.821 1.00 0.00 H new ATOM 158 N GLU A 12 -4.049 -11.679 5.203 1.00 0.00 N ATOM 159 CA GLU A 12 -3.553 -12.321 6.388 1.00 0.00 C ATOM 160 C GLU A 12 -2.386 -11.525 6.957 1.00 0.00 C ATOM 161 O GLU A 12 -2.506 -11.013 8.068 1.00 0.00 O ATOM 162 CB GLU A 12 -3.241 -13.780 6.045 1.00 0.00 C ATOM 163 CG GLU A 12 -2.652 -14.498 7.252 1.00 0.00 C ATOM 164 CD GLU A 12 -3.189 -15.921 7.374 1.00 0.00 C ATOM 165 OE1 GLU A 12 -4.017 -16.147 8.288 1.00 0.00 O ATOM 166 OE2 GLU A 12 -2.811 -16.802 6.572 1.00 0.00 O ATOM 0 H GLU A 12 -3.530 -11.931 4.362 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.293 -12.341 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.151 -14.286 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.540 -13.822 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.566 -14.524 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.887 -13.940 8.159 1.00 0.00 H new ATOM 173 N LEU A 13 -1.279 -11.407 6.218 1.00 0.00 N ATOM 174 CA LEU A 13 -0.073 -10.691 6.641 1.00 0.00 C ATOM 175 C LEU A 13 -0.370 -9.276 7.135 1.00 0.00 C ATOM 176 O LEU A 13 0.182 -8.868 8.157 1.00 0.00 O ATOM 177 CB LEU A 13 1.011 -10.765 5.556 1.00 0.00 C ATOM 178 CG LEU A 13 0.532 -10.336 4.159 1.00 0.00 C ATOM 179 CD1 LEU A 13 0.736 -8.865 3.832 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.226 -11.133 3.066 1.00 0.00 C ATOM 0 H LEU A 13 -1.195 -11.816 5.288 1.00 0.00 H new ATOM 0 HA LEU A 13 0.333 -11.198 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.849 -10.133 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.386 -11.787 5.502 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.540 -10.531 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.367 -8.661 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.190 -8.253 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.798 -8.624 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.865 -10.805 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.302 -10.973 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.009 -12.193 3.195 1.00 0.00 H new ATOM 192 N ILE A 14 -1.274 -8.539 6.488 1.00 0.00 N ATOM 193 CA ILE A 14 -1.644 -7.191 6.912 1.00 0.00 C ATOM 194 C ILE A 14 -2.142 -7.220 8.361 1.00 0.00 C ATOM 195 O ILE A 14 -1.622 -6.483 9.193 1.00 0.00 O ATOM 196 CB ILE A 14 -2.647 -6.599 5.897 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.930 -5.595 4.974 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.962 -6.083 6.492 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.560 -5.580 3.583 1.00 0.00 C ATOM 0 H ILE A 14 -1.769 -8.861 5.656 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.782 -6.523 6.914 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.999 -7.429 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.979 -4.597 5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.875 -5.857 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.592 -5.689 5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.480 -6.900 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.750 -5.292 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.034 -4.863 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.488 -6.573 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.609 -5.293 3.662 1.00 0.00 H new ATOM 211 N ALA A 15 -3.098 -8.091 8.697 1.00 0.00 N ATOM 212 CA ALA A 15 -3.642 -8.187 10.048 1.00 0.00 C ATOM 213 C ALA A 15 -2.611 -8.705 11.060 1.00 0.00 C ATOM 214 O ALA A 15 -2.845 -8.639 12.269 1.00 0.00 O ATOM 215 CB ALA A 15 -4.872 -9.099 10.017 1.00 0.00 C ATOM 0 H ALA A 15 -3.514 -8.748 8.037 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.921 -7.186 10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.290 -9.181 11.020 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.620 -8.678 9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.582 -10.088 9.663 1.00 0.00 H new ATOM 221 N ARG A 16 -1.480 -9.232 10.584 1.00 0.00 N ATOM 222 CA ARG A 16 -0.407 -9.777 11.406 1.00 0.00 C ATOM 223 C ARG A 16 0.681 -8.743 11.657 1.00 0.00 C ATOM 224 O ARG A 16 1.355 -8.816 12.687 1.00 0.00 O ATOM 225 CB ARG A 16 0.195 -11.006 10.728 1.00 0.00 C ATOM 226 CG ARG A 16 -0.854 -12.061 10.345 1.00 0.00 C ATOM 227 CD ARG A 16 -0.716 -13.330 11.173 1.00 0.00 C ATOM 228 NE ARG A 16 -1.590 -14.398 10.668 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.441 -15.689 10.971 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.557 -16.043 11.896 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.161 -16.610 10.340 1.00 0.00 N ATOM 0 H ARG A 16 -1.284 -9.291 9.585 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.833 -10.061 12.368 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.730 -10.693 9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.929 -11.458 11.395 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.852 -11.646 10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.753 -12.305 9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.320 -13.667 11.155 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.964 -13.116 12.213 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.357 -14.137 10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.001 -15.331 12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.435 -17.027 12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.830 -16.331 9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.045 -17.596 10.573 1.00 0.00 H new ATOM 245 N GLY A 17 0.905 -7.792 10.749 1.00 0.00 N ATOM 246 CA GLY A 17 1.922 -6.765 10.924 1.00 0.00 C ATOM 247 C GLY A 17 2.501 -6.191 9.639 1.00 0.00 C ATOM 248 O GLY A 17 3.228 -5.207 9.738 1.00 0.00 O ATOM 0 H GLY A 17 0.385 -7.716 9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.493 -5.949 11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.737 -7.183 11.515 1.00 0.00 H new ATOM 252 N ALA A 18 2.258 -6.777 8.462 1.00 0.00 N ATOM 253 CA ALA A 18 2.775 -6.234 7.206 1.00 0.00 C ATOM 254 C ALA A 18 2.204 -4.820 7.073 1.00 0.00 C ATOM 255 O ALA A 18 0.984 -4.650 7.154 1.00 0.00 O ATOM 256 CB ALA A 18 2.302 -7.098 6.055 1.00 0.00 C ATOM 0 H ALA A 18 1.706 -7.628 8.355 1.00 0.00 H new ATOM 0 HA ALA A 18 3.865 -6.215 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.685 -6.696 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.667 -8.116 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.212 -7.104 6.029 1.00 0.00 H new ATOM 262 N LYS A 19 3.052 -3.803 6.919 1.00 0.00 N ATOM 263 CA LYS A 19 2.597 -2.418 6.818 1.00 0.00 C ATOM 264 C LYS A 19 2.554 -1.950 5.378 1.00 0.00 C ATOM 265 O LYS A 19 3.532 -2.119 4.662 1.00 0.00 O ATOM 266 CB LYS A 19 3.511 -1.521 7.673 1.00 0.00 C ATOM 267 CG LYS A 19 2.755 -1.026 8.910 1.00 0.00 C ATOM 268 CD LYS A 19 2.353 -2.133 9.891 1.00 0.00 C ATOM 269 CE LYS A 19 1.197 -1.644 10.766 1.00 0.00 C ATOM 270 NZ LYS A 19 0.694 -2.713 11.644 1.00 0.00 N ATOM 0 H LYS A 19 4.064 -3.915 6.861 1.00 0.00 H new ATOM 0 HA LYS A 19 1.577 -2.353 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.398 -2.077 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.855 -0.671 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.377 -0.300 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.857 -0.501 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.056 -3.028 9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.204 -2.408 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.529 -0.801 11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.388 -1.282 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.089 -2.347 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.354 -3.507 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.460 -3.041 12.266 1.00 0.00 H new ATOM 284 N LEU A 20 1.444 -1.367 4.939 1.00 0.00 N ATOM 285 CA LEU A 20 1.324 -0.861 3.580 1.00 0.00 C ATOM 286 C LEU A 20 1.477 0.659 3.620 1.00 0.00 C ATOM 287 O LEU A 20 1.131 1.306 4.609 1.00 0.00 O ATOM 288 CB LEU A 20 -0.015 -1.329 3.006 1.00 0.00 C ATOM 289 CG LEU A 20 -0.380 -0.755 1.635 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.646 -1.030 0.549 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.699 -1.367 1.186 1.00 0.00 C ATOM 0 H LEU A 20 0.610 -1.233 5.511 1.00 0.00 H new ATOM 0 HA LEU A 20 2.103 -1.245 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.001 -2.416 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.804 -1.069 3.711 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.433 0.326 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.310 -0.589 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.603 -0.592 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.763 -2.106 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.972 -0.967 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.593 -2.450 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.478 -1.123 1.909 1.00 0.00 H new ATOM 303 N ILE A 21 1.984 1.240 2.538 1.00 0.00 N ATOM 304 CA ILE A 21 2.188 2.665 2.379 1.00 0.00 C ATOM 305 C ILE A 21 1.322 3.083 1.193 1.00 0.00 C ATOM 306 O ILE A 21 1.372 2.483 0.110 1.00 0.00 O ATOM 307 CB ILE A 21 3.682 2.987 2.168 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.666 2.247 3.104 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.902 4.504 2.261 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.502 2.531 4.602 1.00 0.00 C ATOM 0 H ILE A 21 2.274 0.705 1.719 1.00 0.00 H new ATOM 0 HA ILE A 21 1.899 3.221 3.271 1.00 0.00 H new ATOM 0 HB ILE A 21 3.917 2.614 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.555 1.175 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.683 2.510 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.958 4.728 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.312 5.005 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.592 4.857 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.242 1.961 5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.646 3.595 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.501 2.239 4.920 1.00 0.00 H new ATOM 322 N ASP A 22 0.483 4.087 1.419 1.00 0.00 N ATOM 323 CA ASP A 22 -0.416 4.643 0.426 1.00 0.00 C ATOM 324 C ASP A 22 0.410 5.695 -0.314 1.00 0.00 C ATOM 325 O ASP A 22 0.395 6.873 0.056 1.00 0.00 O ATOM 326 CB ASP A 22 -1.677 5.230 1.103 1.00 0.00 C ATOM 327 CG ASP A 22 -2.834 4.241 1.300 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.914 4.661 1.797 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.679 3.068 0.917 1.00 0.00 O ATOM 0 H ASP A 22 0.411 4.547 2.326 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.793 3.895 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.394 5.631 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.034 6.068 0.504 1.00 0.00 H new ATOM 334 N ILE A 23 1.118 5.272 -1.370 1.00 0.00 N ATOM 335 CA ILE A 23 1.995 6.115 -2.189 1.00 0.00 C ATOM 336 C ILE A 23 1.386 6.517 -3.557 1.00 0.00 C ATOM 337 O ILE A 23 2.126 6.610 -4.544 1.00 0.00 O ATOM 338 CB ILE A 23 3.342 5.363 -2.413 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.113 4.055 -3.199 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.121 4.996 -1.139 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.347 3.609 -3.967 1.00 0.00 C ATOM 0 H ILE A 23 1.094 4.303 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 23 2.143 7.047 -1.643 1.00 0.00 H new ATOM 0 HB ILE A 23 3.946 6.083 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.816 3.267 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.287 4.195 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.040 4.477 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.366 5.904 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.509 4.346 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.129 2.684 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.630 4.382 -4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.168 3.440 -3.270 1.00 0.00 H new ATOM 353 N ARG A 24 0.083 6.810 -3.682 1.00 0.00 N ATOM 354 CA ARG A 24 -0.513 7.182 -4.970 1.00 0.00 C ATOM 355 C ARG A 24 -0.808 8.667 -5.070 1.00 0.00 C ATOM 356 O ARG A 24 -0.096 9.380 -5.786 1.00 0.00 O ATOM 357 CB ARG A 24 -1.746 6.331 -5.324 1.00 0.00 C ATOM 358 CG ARG A 24 -2.287 5.392 -4.246 1.00 0.00 C ATOM 359 CD ARG A 24 -2.970 6.026 -3.019 1.00 0.00 C ATOM 360 NE ARG A 24 -4.348 5.534 -2.945 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.040 5.092 -1.889 1.00 0.00 C ATOM 362 NH1 ARG A 24 -4.701 5.502 -0.678 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.061 4.258 -2.064 1.00 0.00 N ATOM 0 H ARG A 24 -0.577 6.796 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 24 0.246 6.960 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.550 7.007 -5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.501 5.731 -6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.003 4.718 -4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.459 4.779 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.427 5.769 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.960 7.113 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.855 5.528 -3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.920 6.147 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.220 5.173 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.317 3.955 -3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.588 3.921 -1.258 1.00 0.00 H new ATOM 377 N ASP A 25 -1.849 9.135 -4.396 1.00 0.00 N ATOM 378 CA ASP A 25 -2.284 10.520 -4.418 1.00 0.00 C ATOM 379 C ASP A 25 -3.088 10.826 -3.155 1.00 0.00 C ATOM 380 O ASP A 25 -3.213 9.956 -2.288 1.00 0.00 O ATOM 381 CB ASP A 25 -3.142 10.699 -5.670 1.00 0.00 C ATOM 382 CG ASP A 25 -3.008 12.111 -6.224 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.280 12.269 -7.231 1.00 0.00 O ATOM 384 OD2 ASP A 25 -3.660 13.040 -5.701 1.00 0.00 O ATOM 0 H ASP A 25 -2.429 8.543 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.436 11.205 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.841 9.976 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.186 10.495 -5.432 1.00 0.00 H new ATOM 389 N ALA A 26 -3.656 12.027 -3.047 1.00 0.00 N ATOM 390 CA ALA A 26 -4.428 12.456 -1.891 1.00 0.00 C ATOM 391 C ALA A 26 -5.933 12.547 -2.137 1.00 0.00 C ATOM 392 O ALA A 26 -6.695 12.198 -1.234 1.00 0.00 O ATOM 393 CB ALA A 26 -3.904 13.820 -1.456 1.00 0.00 C ATOM 0 H ALA A 26 -3.589 12.738 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.300 11.697 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.467 14.166 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.849 13.738 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.021 14.532 -2.273 1.00 0.00 H new ATOM 399 N ASP A 27 -6.399 12.977 -3.316 1.00 0.00 N ATOM 400 CA ASP A 27 -7.850 13.095 -3.555 1.00 0.00 C ATOM 401 C ASP A 27 -8.555 11.740 -3.565 1.00 0.00 C ATOM 402 O ASP A 27 -9.774 11.700 -3.427 1.00 0.00 O ATOM 403 CB ASP A 27 -8.199 13.874 -4.835 1.00 0.00 C ATOM 404 CG ASP A 27 -8.004 15.386 -4.731 1.00 0.00 C ATOM 405 OD1 ASP A 27 -7.426 15.974 -5.673 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.434 16.008 -3.734 1.00 0.00 O ATOM 0 H ASP A 27 -5.811 13.245 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.220 13.672 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.585 13.497 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.238 13.672 -5.096 1.00 0.00 H new ATOM 411 N GLU A 28 -7.840 10.625 -3.731 1.00 0.00 N ATOM 412 CA GLU A 28 -8.461 9.298 -3.718 1.00 0.00 C ATOM 413 C GLU A 28 -8.707 8.860 -2.261 1.00 0.00 C ATOM 414 O GLU A 28 -9.739 8.258 -1.961 1.00 0.00 O ATOM 415 CB GLU A 28 -7.668 8.302 -4.582 1.00 0.00 C ATOM 416 CG GLU A 28 -6.163 8.184 -4.302 1.00 0.00 C ATOM 417 CD GLU A 28 -5.464 7.471 -5.469 1.00 0.00 C ATOM 418 OE1 GLU A 28 -5.005 8.157 -6.409 1.00 0.00 O ATOM 419 OE2 GLU A 28 -5.378 6.224 -5.471 1.00 0.00 O ATOM 0 H GLU A 28 -6.830 10.614 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.443 9.331 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.114 7.315 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.798 8.582 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.733 9.175 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.999 7.631 -3.377 1.00 0.00 H new ATOM 426 N TYR A 29 -7.803 9.225 -1.340 1.00 0.00 N ATOM 427 CA TYR A 29 -7.888 8.919 0.093 1.00 0.00 C ATOM 428 C TYR A 29 -9.018 9.719 0.778 1.00 0.00 C ATOM 429 O TYR A 29 -9.314 9.548 1.962 1.00 0.00 O ATOM 430 CB TYR A 29 -6.532 9.234 0.749 1.00 0.00 C ATOM 431 CG TYR A 29 -6.440 9.002 2.249 1.00 0.00 C ATOM 432 CD1 TYR A 29 -6.827 7.773 2.822 1.00 0.00 C ATOM 433 CD2 TYR A 29 -5.979 10.039 3.079 1.00 0.00 C ATOM 434 CE1 TYR A 29 -6.729 7.580 4.212 1.00 0.00 C ATOM 435 CE2 TYR A 29 -5.867 9.846 4.466 1.00 0.00 C ATOM 436 CZ TYR A 29 -6.231 8.608 5.040 1.00 0.00 C ATOM 437 OH TYR A 29 -6.111 8.399 6.379 1.00 0.00 O ATOM 0 H TYR A 29 -6.967 9.758 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.124 7.862 0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.767 8.629 0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.289 10.277 0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.199 6.978 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.709 10.991 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.036 6.641 4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.502 10.645 5.094 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.752 9.205 6.805 1.00 0.00 H new ATOM 447 N LEU A 30 -9.632 10.661 0.062 1.00 0.00 N ATOM 448 CA LEU A 30 -10.711 11.510 0.519 1.00 0.00 C ATOM 449 C LEU A 30 -12.005 10.731 0.727 1.00 0.00 C ATOM 450 O LEU A 30 -12.774 11.043 1.641 1.00 0.00 O ATOM 451 CB LEU A 30 -10.888 12.561 -0.585 1.00 0.00 C ATOM 452 CG LEU A 30 -11.952 13.629 -0.310 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.521 14.941 -0.971 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.329 13.252 -0.881 1.00 0.00 C ATOM 0 H LEU A 30 -9.369 10.856 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.476 11.954 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.932 13.058 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.142 12.049 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.040 13.723 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.272 15.708 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.564 15.260 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.420 14.791 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.045 14.043 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.253 13.126 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.667 12.319 -0.430 1.00 0.00 H new ATOM 466 N ARG A 31 -12.256 9.740 -0.131 1.00 0.00 N ATOM 467 CA ARG A 31 -13.468 8.924 -0.101 1.00 0.00 C ATOM 468 C ARG A 31 -13.232 7.525 0.422 1.00 0.00 C ATOM 469 O ARG A 31 -14.005 7.046 1.249 1.00 0.00 O ATOM 470 CB ARG A 31 -14.025 8.768 -1.530 1.00 0.00 C ATOM 471 CG ARG A 31 -14.300 10.090 -2.245 1.00 0.00 C ATOM 472 CD ARG A 31 -14.487 9.834 -3.735 1.00 0.00 C ATOM 473 NE ARG A 31 -14.613 11.105 -4.443 1.00 0.00 N ATOM 474 CZ ARG A 31 -14.553 11.278 -5.760 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.395 10.242 -6.580 1.00 0.00 N ATOM 476 NH2 ARG A 31 -14.676 12.514 -6.212 1.00 0.00 N ATOM 0 H ARG A 31 -11.612 9.479 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.159 9.442 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.317 8.188 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.950 8.193 -1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.192 10.560 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.472 10.781 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.639 9.272 -4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.376 9.226 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.761 11.938 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.318 9.298 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.351 10.392 -7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.810 13.285 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.637 12.697 -7.215 1.00 0.00 H new ATOM 490 N GLU A 32 -12.216 6.870 -0.128 1.00 0.00 N ATOM 491 CA GLU A 32 -11.817 5.505 0.153 1.00 0.00 C ATOM 492 C GLU A 32 -10.440 5.493 0.812 1.00 0.00 C ATOM 493 O GLU A 32 -9.891 6.549 1.125 1.00 0.00 O ATOM 494 CB GLU A 32 -11.841 4.769 -1.211 1.00 0.00 C ATOM 495 CG GLU A 32 -13.267 4.630 -1.793 1.00 0.00 C ATOM 496 CD GLU A 32 -13.345 4.459 -3.312 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.785 3.372 -3.771 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.056 5.420 -4.062 1.00 0.00 O ATOM 0 H GLU A 32 -11.615 7.310 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.484 5.004 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.215 5.309 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.404 3.777 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.750 3.773 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.842 5.513 -1.514 1.00 0.00 H new ATOM 505 N HIS A 33 -9.910 4.303 1.093 1.00 0.00 N ATOM 506 CA HIS A 33 -8.586 4.144 1.693 1.00 0.00 C ATOM 507 C HIS A 33 -7.971 2.877 1.107 1.00 0.00 C ATOM 508 O HIS A 33 -7.764 2.856 -0.107 1.00 0.00 O ATOM 509 CB HIS A 33 -8.682 4.192 3.220 1.00 0.00 C ATOM 510 CG HIS A 33 -7.392 4.072 4.001 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.083 4.116 3.544 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.344 3.966 5.365 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.278 4.050 4.615 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.000 3.934 5.741 1.00 0.00 N ATOM 0 H HIS A 33 -10.388 3.420 0.911 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.913 4.967 1.451 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.159 5.132 3.498 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.347 3.390 3.541 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.786 4.186 2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.193 3.916 6.030 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.199 4.085 4.577 1.00 0.00 H new ATOM 522 N ILE A 34 -7.694 1.845 1.917 1.00 0.00 N ATOM 523 CA ILE A 34 -7.109 0.574 1.489 1.00 0.00 C ATOM 524 C ILE A 34 -6.901 -0.371 2.693 1.00 0.00 C ATOM 525 O ILE A 34 -6.863 0.118 3.833 1.00 0.00 O ATOM 526 CB ILE A 34 -5.718 0.886 0.835 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.665 0.457 -0.645 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.540 0.385 1.670 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.485 -0.410 -1.108 1.00 0.00 C ATOM 0 H ILE A 34 -7.878 1.877 2.920 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.779 0.083 0.783 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.608 1.970 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.584 -0.085 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.673 1.361 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.606 0.631 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.559 0.862 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.614 -0.696 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.589 -0.629 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.551 0.126 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.476 -1.343 -0.545 1.00 0.00 H new ATOM 541 N PRO A 35 -6.674 -1.678 2.455 1.00 0.00 N ATOM 542 CA PRO A 35 -6.397 -2.676 3.468 1.00 0.00 C ATOM 543 C PRO A 35 -5.075 -2.368 4.194 1.00 0.00 C ATOM 544 O PRO A 35 -3.988 -2.650 3.696 1.00 0.00 O ATOM 545 CB PRO A 35 -6.374 -4.030 2.740 1.00 0.00 C ATOM 546 CG PRO A 35 -6.153 -3.708 1.263 1.00 0.00 C ATOM 547 CD PRO A 35 -6.736 -2.309 1.149 1.00 0.00 C ATOM 0 HA PRO A 35 -7.157 -2.685 4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.577 -4.667 3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.311 -4.568 2.887 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.097 -3.732 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.664 -4.416 0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.177 -1.724 0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.767 -2.355 0.799 1.00 0.00 H new ATOM 555 N GLU A 36 -5.216 -1.779 5.379 1.00 0.00 N ATOM 556 CA GLU A 36 -4.216 -1.389 6.367 1.00 0.00 C ATOM 557 C GLU A 36 -2.963 -0.638 5.870 1.00 0.00 C ATOM 558 O GLU A 36 -1.866 -1.199 5.808 1.00 0.00 O ATOM 559 CB GLU A 36 -3.874 -2.689 7.091 1.00 0.00 C ATOM 560 CG GLU A 36 -3.429 -2.474 8.539 1.00 0.00 C ATOM 561 CD GLU A 36 -4.524 -2.895 9.520 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.567 -2.210 9.581 1.00 0.00 O ATOM 563 OE2 GLU A 36 -4.394 -3.944 10.199 1.00 0.00 O ATOM 0 H GLU A 36 -6.150 -1.534 5.708 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.644 -0.618 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.745 -3.344 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.082 -3.203 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.523 -3.047 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.181 -1.424 8.694 1.00 0.00 H new ATOM 570 N ALA A 37 -3.100 0.658 5.571 1.00 0.00 N ATOM 571 CA ALA A 37 -2.013 1.508 5.082 1.00 0.00 C ATOM 572 C ALA A 37 -1.954 2.874 5.779 1.00 0.00 C ATOM 573 O ALA A 37 -2.784 3.187 6.638 1.00 0.00 O ATOM 574 CB ALA A 37 -2.183 1.712 3.585 1.00 0.00 C ATOM 0 H ALA A 37 -3.987 1.153 5.664 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.076 0.999 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.378 2.344 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.151 0.746 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.142 2.192 3.390 1.00 0.00 H new ATOM 580 N ASP A 38 -0.982 3.702 5.381 1.00 0.00 N ATOM 581 CA ASP A 38 -0.749 5.052 5.891 1.00 0.00 C ATOM 582 C ASP A 38 -0.397 5.985 4.733 1.00 0.00 C ATOM 583 O ASP A 38 0.421 5.620 3.884 1.00 0.00 O ATOM 584 CB ASP A 38 0.390 5.044 6.907 1.00 0.00 C ATOM 585 CG ASP A 38 0.524 6.414 7.562 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.341 6.756 8.395 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.508 7.153 7.323 1.00 0.00 O ATOM 0 H ASP A 38 -0.308 3.435 4.663 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.656 5.405 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.202 4.286 7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.324 4.776 6.414 1.00 0.00 H new ATOM 592 N LEU A 39 -0.980 7.187 4.726 1.00 0.00 N ATOM 593 CA LEU A 39 -0.802 8.213 3.704 1.00 0.00 C ATOM 594 C LEU A 39 0.618 8.767 3.626 1.00 0.00 C ATOM 595 O LEU A 39 1.063 9.439 4.561 1.00 0.00 O ATOM 596 CB LEU A 39 -1.785 9.376 3.954 1.00 0.00 C ATOM 597 CG LEU A 39 -1.775 10.429 2.825 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.315 9.853 1.511 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.646 11.620 3.217 1.00 0.00 C ATOM 0 H LEU A 39 -1.616 7.481 5.467 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.004 7.727 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.793 8.976 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.533 9.861 4.897 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.740 10.738 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.293 10.623 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.696 9.011 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.341 9.515 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.634 12.359 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.669 11.283 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.258 12.070 4.131 1.00 0.00 H new ATOM 611 N ALA A 40 1.302 8.531 2.505 1.00 0.00 N ATOM 612 CA ALA A 40 2.651 9.012 2.236 1.00 0.00 C ATOM 613 C ALA A 40 2.895 8.956 0.718 1.00 0.00 C ATOM 614 O ALA A 40 3.573 8.032 0.274 1.00 0.00 O ATOM 615 CB ALA A 40 3.688 8.201 3.031 1.00 0.00 C ATOM 0 H ALA A 40 0.916 7.982 1.737 1.00 0.00 H new ATOM 0 HA ALA A 40 2.758 10.045 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.688 8.577 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.486 8.299 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.626 7.151 2.745 1.00 0.00 H new ATOM 621 N PRO A 41 2.363 9.901 -0.088 1.00 0.00 N ATOM 622 CA PRO A 41 2.577 9.912 -1.536 1.00 0.00 C ATOM 623 C PRO A 41 4.073 9.982 -1.872 1.00 0.00 C ATOM 624 O PRO A 41 4.903 10.299 -1.018 1.00 0.00 O ATOM 625 CB PRO A 41 1.786 11.106 -2.090 1.00 0.00 C ATOM 626 CG PRO A 41 1.512 11.992 -0.876 1.00 0.00 C ATOM 627 CD PRO A 41 1.529 11.027 0.310 1.00 0.00 C ATOM 0 HA PRO A 41 2.223 8.991 -1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.357 11.641 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.858 10.781 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.272 12.766 -0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.551 12.499 -0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.930 11.512 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.520 10.695 0.555 1.00 0.00 H new ATOM 635 N LEU A 42 4.425 9.743 -3.140 1.00 0.00 N ATOM 636 CA LEU A 42 5.803 9.762 -3.639 1.00 0.00 C ATOM 637 C LEU A 42 6.518 11.049 -3.231 1.00 0.00 C ATOM 638 O LEU A 42 7.708 11.028 -2.936 1.00 0.00 O ATOM 639 CB LEU A 42 5.789 9.585 -5.165 1.00 0.00 C ATOM 640 CG LEU A 42 7.189 9.561 -5.811 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.976 8.320 -5.383 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.053 9.547 -7.333 1.00 0.00 C ATOM 0 H LEU A 42 3.742 9.526 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 42 6.359 8.937 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.273 8.656 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.210 10.395 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 42 7.724 10.452 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.959 8.332 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.094 8.320 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.437 7.424 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.044 9.530 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.498 8.661 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.520 10.440 -7.659 1.00 0.00 H new ATOM 654 N SER A 43 5.783 12.159 -3.174 1.00 0.00 N ATOM 655 CA SER A 43 6.299 13.453 -2.777 1.00 0.00 C ATOM 656 C SER A 43 6.941 13.351 -1.385 1.00 0.00 C ATOM 657 O SER A 43 8.041 13.860 -1.192 1.00 0.00 O ATOM 658 CB SER A 43 5.132 14.443 -2.821 1.00 0.00 C ATOM 659 OG SER A 43 5.548 15.766 -2.559 1.00 0.00 O ATOM 0 H SER A 43 4.791 12.176 -3.409 1.00 0.00 H new ATOM 0 HA SER A 43 7.081 13.803 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.658 14.400 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.379 14.148 -2.090 1.00 0.00 H new ATOM 0 HG SER A 43 4.774 16.366 -2.598 1.00 0.00 H new ATOM 665 N VAL A 44 6.285 12.692 -0.423 1.00 0.00 N ATOM 666 CA VAL A 44 6.757 12.499 0.948 1.00 0.00 C ATOM 667 C VAL A 44 7.994 11.602 0.954 1.00 0.00 C ATOM 668 O VAL A 44 8.946 11.866 1.690 1.00 0.00 O ATOM 669 CB VAL A 44 5.625 11.894 1.812 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.020 11.776 3.290 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.357 12.752 1.716 1.00 0.00 C ATOM 0 H VAL A 44 5.375 12.262 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 44 7.036 13.462 1.375 1.00 0.00 H new ATOM 0 HB VAL A 44 5.439 10.894 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.193 11.346 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.895 11.133 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.253 12.765 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.572 12.311 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.572 13.760 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.025 12.796 0.679 1.00 0.00 H new ATOM 681 N LEU A 45 7.984 10.545 0.137 1.00 0.00 N ATOM 682 CA LEU A 45 9.101 9.607 0.033 1.00 0.00 C ATOM 683 C LEU A 45 10.340 10.373 -0.442 1.00 0.00 C ATOM 684 O LEU A 45 11.423 10.182 0.103 1.00 0.00 O ATOM 685 CB LEU A 45 8.767 8.433 -0.909 1.00 0.00 C ATOM 686 CG LEU A 45 7.784 7.351 -0.392 1.00 0.00 C ATOM 687 CD1 LEU A 45 8.508 6.076 0.052 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.907 7.751 0.801 1.00 0.00 C ATOM 0 H LEU A 45 7.198 10.317 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 45 9.299 9.170 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.355 8.848 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.702 7.938 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 45 7.148 7.201 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.778 5.348 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.058 5.658 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.203 6.314 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.261 6.916 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.542 8.011 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.294 8.610 0.530 1.00 0.00 H new ATOM 700 N GLU A 46 10.178 11.259 -1.425 1.00 0.00 N ATOM 701 CA GLU A 46 11.211 12.094 -2.012 1.00 0.00 C ATOM 702 C GLU A 46 11.675 13.158 -1.012 1.00 0.00 C ATOM 703 O GLU A 46 12.876 13.404 -0.877 1.00 0.00 O ATOM 704 CB GLU A 46 10.611 12.761 -3.261 1.00 0.00 C ATOM 705 CG GLU A 46 10.639 11.887 -4.521 1.00 0.00 C ATOM 706 CD GLU A 46 11.989 11.973 -5.230 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.124 12.777 -6.181 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.936 11.255 -4.844 1.00 0.00 O ATOM 0 H GLU A 46 9.266 11.418 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 46 12.080 11.492 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.579 13.039 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.155 13.684 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.433 10.851 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.848 12.202 -5.202 1.00 0.00 H new ATOM 715 N GLN A 47 10.734 13.803 -0.318 1.00 0.00 N ATOM 716 CA GLN A 47 10.978 14.848 0.672 1.00 0.00 C ATOM 717 C GLN A 47 11.696 14.311 1.909 1.00 0.00 C ATOM 718 O GLN A 47 12.387 15.089 2.569 1.00 0.00 O ATOM 719 CB GLN A 47 9.634 15.466 1.099 1.00 0.00 C ATOM 720 CG GLN A 47 9.030 16.409 0.049 1.00 0.00 C ATOM 721 CD GLN A 47 9.545 17.840 0.141 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.650 18.145 -0.295 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.741 18.756 0.650 1.00 0.00 N ATOM 0 H GLN A 47 9.741 13.601 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 47 11.620 15.598 0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.925 14.665 1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.776 16.015 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.247 16.018 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.946 16.415 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.825 18.488 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.036 19.732 0.684 1.00 0.00 H new ATOM 732 N SER A 48 11.546 13.023 2.231 1.00 0.00 N ATOM 733 CA SER A 48 12.179 12.425 3.395 1.00 0.00 C ATOM 734 C SER A 48 12.390 10.923 3.170 1.00 0.00 C ATOM 735 O SER A 48 13.518 10.514 2.882 1.00 0.00 O ATOM 736 CB SER A 48 11.343 12.756 4.643 1.00 0.00 C ATOM 737 OG SER A 48 12.096 12.587 5.824 1.00 0.00 O ATOM 0 H SER A 48 10.981 12.371 1.687 1.00 0.00 H new ATOM 0 HA SER A 48 13.173 12.842 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.985 13.784 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.463 12.113 4.675 1.00 0.00 H new ATOM 0 HG SER A 48 11.540 12.806 6.601 1.00 0.00 H new ATOM 743 N GLY A 49 11.341 10.098 3.259 1.00 0.00 N ATOM 744 CA GLY A 49 11.451 8.659 3.078 1.00 0.00 C ATOM 745 C GLY A 49 10.395 7.925 3.896 1.00 0.00 C ATOM 746 O GLY A 49 9.291 8.430 4.111 1.00 0.00 O ATOM 0 H GLY A 49 10.393 10.417 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.336 8.411 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.445 8.326 3.377 1.00 0.00 H new ATOM 750 N LEU A 50 10.727 6.695 4.284 1.00 0.00 N ATOM 751 CA LEU A 50 9.910 5.788 5.080 1.00 0.00 C ATOM 752 C LEU A 50 9.715 6.330 6.508 1.00 0.00 C ATOM 753 O LEU A 50 10.715 6.535 7.202 1.00 0.00 O ATOM 754 CB LEU A 50 10.593 4.407 5.160 1.00 0.00 C ATOM 755 CG LEU A 50 9.735 3.363 5.910 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.627 2.832 5.000 1.00 0.00 C ATOM 757 CD2 LEU A 50 10.612 2.219 6.427 1.00 0.00 C ATOM 0 H LEU A 50 11.626 6.283 4.035 1.00 0.00 H new ATOM 0 HA LEU A 50 8.936 5.700 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.797 4.047 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.555 4.510 5.662 1.00 0.00 H new ATOM 0 HG LEU A 50 9.269 3.847 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.031 2.098 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.988 3.657 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.071 2.362 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.991 1.493 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.107 1.732 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.363 2.616 7.110 1.00 0.00 H new ATOM 769 N PRO A 51 8.478 6.525 6.991 1.00 0.00 N ATOM 770 CA PRO A 51 8.209 7.011 8.341 1.00 0.00 C ATOM 771 C PRO A 51 8.459 5.924 9.395 1.00 0.00 C ATOM 772 O PRO A 51 8.134 4.754 9.185 1.00 0.00 O ATOM 773 CB PRO A 51 6.720 7.363 8.352 1.00 0.00 C ATOM 774 CG PRO A 51 6.135 6.453 7.281 1.00 0.00 C ATOM 775 CD PRO A 51 7.243 6.330 6.259 1.00 0.00 C ATOM 0 HA PRO A 51 8.859 7.853 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.270 7.177 9.327 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.554 8.415 8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.860 5.481 7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.234 6.881 6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.224 5.352 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.133 7.076 5.471 1.00 0.00 H new ATOM 783 N ALA A 52 8.885 6.334 10.594 1.00 0.00 N ATOM 784 CA ALA A 52 9.166 5.443 11.719 1.00 0.00 C ATOM 785 C ALA A 52 7.954 4.585 12.107 1.00 0.00 C ATOM 786 O ALA A 52 8.121 3.443 12.530 1.00 0.00 O ATOM 787 CB ALA A 52 9.605 6.277 12.924 1.00 0.00 C ATOM 0 H ALA A 52 9.047 7.317 10.812 1.00 0.00 H new ATOM 0 HA ALA A 52 9.960 4.763 11.409 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.816 5.617 13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.504 6.839 12.670 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.809 6.970 13.196 1.00 0.00 H new ATOM 793 N LYS A 53 6.719 5.088 11.966 1.00 0.00 N ATOM 794 CA LYS A 53 5.544 4.292 12.335 1.00 0.00 C ATOM 795 C LYS A 53 5.476 3.009 11.507 1.00 0.00 C ATOM 796 O LYS A 53 5.322 1.924 12.060 1.00 0.00 O ATOM 797 CB LYS A 53 4.195 5.035 12.215 1.00 0.00 C ATOM 798 CG LYS A 53 4.221 6.571 12.163 1.00 0.00 C ATOM 799 CD LYS A 53 2.803 7.172 12.142 1.00 0.00 C ATOM 800 CE LYS A 53 1.957 6.632 10.976 1.00 0.00 C ATOM 801 NZ LYS A 53 0.647 7.298 10.859 1.00 0.00 N ATOM 0 H LYS A 53 6.512 6.020 11.608 1.00 0.00 H new ATOM 0 HA LYS A 53 5.685 4.068 13.392 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.696 4.678 11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.574 4.740 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.764 6.954 13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.765 6.895 11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.303 6.950 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.872 8.257 12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.508 6.760 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.804 5.561 11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.115 6.882 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.112 7.169 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.788 8.314 10.685 1.00 0.00 H new ATOM 815 N LEU A 54 5.610 3.125 10.182 1.00 0.00 N ATOM 816 CA LEU A 54 5.523 1.998 9.267 1.00 0.00 C ATOM 817 C LEU A 54 6.910 1.464 8.887 1.00 0.00 C ATOM 818 O LEU A 54 7.105 0.965 7.785 1.00 0.00 O ATOM 819 CB LEU A 54 4.725 2.435 8.014 1.00 0.00 C ATOM 820 CG LEU A 54 3.370 3.166 8.184 1.00 0.00 C ATOM 821 CD1 LEU A 54 2.466 2.612 9.290 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.504 4.682 8.359 1.00 0.00 C ATOM 0 H LEU A 54 5.784 4.016 9.716 1.00 0.00 H new ATOM 0 HA LEU A 54 5.004 1.177 9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.373 3.084 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.541 1.542 7.417 1.00 0.00 H new ATOM 0 HG LEU A 54 2.882 2.961 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.543 3.190 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.232 1.568 9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.979 2.683 10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.514 5.124 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.100 4.895 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.993 5.108 7.483 1.00 0.00 H new ATOM 834 N ARG A 55 7.846 1.442 9.840 1.00 0.00 N ATOM 835 CA ARG A 55 9.218 0.953 9.640 1.00 0.00 C ATOM 836 C ARG A 55 9.387 -0.555 9.892 1.00 0.00 C ATOM 837 O ARG A 55 10.513 -1.046 9.906 1.00 0.00 O ATOM 838 CB ARG A 55 10.186 1.813 10.468 1.00 0.00 C ATOM 839 CG ARG A 55 10.258 1.394 11.950 1.00 0.00 C ATOM 840 CD ARG A 55 11.576 0.689 12.260 1.00 0.00 C ATOM 841 NE ARG A 55 11.450 -0.381 13.260 1.00 0.00 N ATOM 842 CZ ARG A 55 12.414 -1.278 13.507 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.566 -1.253 12.846 1.00 0.00 N ATOM 844 NH2 ARG A 55 12.252 -2.215 14.428 1.00 0.00 N ATOM 0 H ARG A 55 7.671 1.769 10.790 1.00 0.00 H new ATOM 0 HA ARG A 55 9.462 1.064 8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.182 1.750 10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.877 2.857 10.407 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.155 2.274 12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.424 0.732 12.185 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.979 0.268 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.297 1.425 12.616 1.00 0.00 H new ATOM 0 HE ARG A 55 10.583 -0.444 13.794 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.730 -0.541 12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.286 -1.946 13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.384 -2.261 14.961 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.995 -2.891 14.604 1.00 0.00 H new ATOM 858 N HIS A 56 8.272 -1.239 10.163 1.00 0.00 N ATOM 859 CA HIS A 56 8.126 -2.666 10.451 1.00 0.00 C ATOM 860 C HIS A 56 9.046 -3.529 9.567 1.00 0.00 C ATOM 861 O HIS A 56 9.268 -3.214 8.401 1.00 0.00 O ATOM 862 CB HIS A 56 6.635 -3.038 10.277 1.00 0.00 C ATOM 863 CG HIS A 56 5.982 -3.676 11.481 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.441 -4.936 11.515 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.715 -3.095 12.690 1.00 0.00 C ATOM 866 CE1 HIS A 56 4.887 -5.132 12.718 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.025 -4.032 13.478 1.00 0.00 N ATOM 0 H HIS A 56 7.369 -0.765 10.188 1.00 0.00 H new ATOM 0 HA HIS A 56 8.436 -2.869 11.476 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.080 -2.136 10.020 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.544 -3.720 9.432 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.987 -2.093 12.987 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.399 -6.043 13.032 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.695 -3.903 14.435 1.00 0.00 H new ATOM 875 N GLU A 57 9.477 -4.687 10.074 1.00 0.00 N ATOM 876 CA GLU A 57 10.384 -5.615 9.386 1.00 0.00 C ATOM 877 C GLU A 57 9.910 -6.098 8.001 1.00 0.00 C ATOM 878 O GLU A 57 10.712 -6.611 7.216 1.00 0.00 O ATOM 879 CB GLU A 57 10.674 -6.813 10.311 1.00 0.00 C ATOM 880 CG GLU A 57 12.107 -7.345 10.156 1.00 0.00 C ATOM 881 CD GLU A 57 13.201 -6.397 10.651 1.00 0.00 C ATOM 882 OE1 GLU A 57 14.303 -6.405 10.060 1.00 0.00 O ATOM 883 OE2 GLU A 57 13.027 -5.699 11.676 1.00 0.00 O ATOM 0 H GLU A 57 9.199 -5.015 10.999 1.00 0.00 H new ATOM 0 HA GLU A 57 11.292 -5.050 9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.511 -6.516 11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.967 -7.614 10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.190 -8.287 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.286 -7.565 9.104 1.00 0.00 H new ATOM 890 N GLN A 58 8.613 -6.002 7.706 1.00 0.00 N ATOM 891 CA GLN A 58 8.008 -6.389 6.440 1.00 0.00 C ATOM 892 C GLN A 58 6.975 -5.318 6.101 1.00 0.00 C ATOM 893 O GLN A 58 6.103 -5.035 6.939 1.00 0.00 O ATOM 894 CB GLN A 58 7.340 -7.779 6.490 1.00 0.00 C ATOM 895 CG GLN A 58 8.263 -8.947 6.873 1.00 0.00 C ATOM 896 CD GLN A 58 7.645 -10.315 6.565 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.428 -10.454 6.488 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.437 -11.357 6.380 1.00 0.00 N ATOM 0 H GLN A 58 7.932 -5.637 8.372 1.00 0.00 H new ATOM 0 HA GLN A 58 8.785 -6.464 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.517 -7.741 7.204 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.905 -7.989 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.207 -8.850 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.494 -8.888 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.449 -11.246 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.036 -12.272 6.174 1.00 0.00 H new ATOM 907 N ILE A 59 7.100 -4.692 4.929 1.00 0.00 N ATOM 908 CA ILE A 59 6.195 -3.664 4.439 1.00 0.00 C ATOM 909 C ILE A 59 5.791 -4.011 2.991 1.00 0.00 C ATOM 910 O ILE A 59 6.358 -4.907 2.360 1.00 0.00 O ATOM 911 CB ILE A 59 6.721 -2.219 4.696 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.064 -1.434 3.412 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.808 -2.101 5.789 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.441 0.010 3.674 1.00 0.00 C ATOM 0 H ILE A 59 7.859 -4.897 4.279 1.00 0.00 H new ATOM 0 HA ILE A 59 5.271 -3.658 5.017 1.00 0.00 H new ATOM 0 HB ILE A 59 5.854 -1.715 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.889 -1.930 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.208 -1.462 2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.108 -1.058 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.410 -2.460 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.673 -2.701 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.670 0.503 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.609 0.521 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.316 0.046 4.323 1.00 0.00 H new ATOM 926 N ILE A 60 4.773 -3.340 2.466 1.00 0.00 N ATOM 927 CA ILE A 60 4.218 -3.483 1.125 1.00 0.00 C ATOM 928 C ILE A 60 3.989 -2.064 0.578 1.00 0.00 C ATOM 929 O ILE A 60 3.958 -1.079 1.319 1.00 0.00 O ATOM 930 CB ILE A 60 2.921 -4.353 1.141 1.00 0.00 C ATOM 931 CG1 ILE A 60 3.187 -5.703 1.850 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.366 -4.611 -0.280 1.00 0.00 C ATOM 933 CD1 ILE A 60 2.133 -6.812 1.736 1.00 0.00 C ATOM 0 H ILE A 60 4.278 -2.630 3.005 1.00 0.00 H new ATOM 0 HA ILE A 60 4.905 -4.015 0.467 1.00 0.00 H new ATOM 0 HB ILE A 60 2.168 -3.789 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.127 -6.099 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.337 -5.497 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.465 -5.220 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.127 -3.660 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.115 -5.135 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.469 -7.691 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.189 -6.461 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.991 -7.073 0.687 1.00 0.00 H new ATOM 945 N PHE A 61 3.817 -1.967 -0.734 1.00 0.00 N ATOM 946 CA PHE A 61 3.560 -0.763 -1.508 1.00 0.00 C ATOM 947 C PHE A 61 2.432 -1.053 -2.503 1.00 0.00 C ATOM 948 O PHE A 61 2.294 -2.186 -2.973 1.00 0.00 O ATOM 949 CB PHE A 61 4.843 -0.365 -2.250 1.00 0.00 C ATOM 950 CG PHE A 61 5.842 0.388 -1.400 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.540 1.664 -0.895 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.086 -0.191 -1.118 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.482 2.349 -0.106 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.027 0.490 -0.330 1.00 0.00 C ATOM 955 CZ PHE A 61 7.729 1.767 0.173 1.00 0.00 C ATOM 0 H PHE A 61 3.857 -2.794 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 61 3.260 0.058 -0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.319 -1.265 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.577 0.251 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.585 2.119 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.323 -1.169 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.245 3.327 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.980 0.032 -0.110 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.455 2.298 0.771 1.00 0.00 H new ATOM 965 N HIS A 62 1.626 -0.044 -2.842 1.00 0.00 N ATOM 966 CA HIS A 62 0.523 -0.163 -3.793 1.00 0.00 C ATOM 967 C HIS A 62 0.386 1.154 -4.565 1.00 0.00 C ATOM 968 O HIS A 62 1.116 2.100 -4.288 1.00 0.00 O ATOM 969 CB HIS A 62 -0.786 -0.529 -3.068 1.00 0.00 C ATOM 970 CG HIS A 62 -1.681 0.650 -2.759 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.492 1.627 -1.803 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.788 1.001 -3.487 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.471 2.536 -1.970 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.271 2.205 -2.991 1.00 0.00 N ATOM 0 H HIS A 62 1.725 0.895 -2.455 1.00 0.00 H new ATOM 0 HA HIS A 62 0.734 -0.966 -4.499 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.340 -1.239 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.540 -1.037 -2.135 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.212 0.438 -4.306 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.595 3.418 -1.359 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -4.074 2.731 -3.335 1.00 0.00 H new ATOM 982 N CYS A 63 -0.512 1.221 -5.552 1.00 0.00 N ATOM 983 CA CYS A 63 -0.750 2.426 -6.330 1.00 0.00 C ATOM 984 C CYS A 63 -2.215 2.410 -6.793 1.00 0.00 C ATOM 985 O CYS A 63 -3.114 2.722 -6.024 1.00 0.00 O ATOM 986 CB CYS A 63 0.311 2.522 -7.440 1.00 0.00 C ATOM 987 SG CYS A 63 0.320 4.175 -8.175 1.00 0.00 S ATOM 0 H CYS A 63 -1.095 0.432 -5.830 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.632 3.344 -5.754 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.295 2.296 -7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.108 1.777 -8.210 1.00 0.00 H new ATOM 0 HG CYS A 63 1.355 4.299 -8.952 1.00 0.00 H new ATOM 993 N GLN A 64 -2.491 2.008 -8.028 1.00 0.00 N ATOM 994 CA GLN A 64 -3.833 1.931 -8.595 1.00 0.00 C ATOM 995 C GLN A 64 -3.859 0.719 -9.530 1.00 0.00 C ATOM 996 O GLN A 64 -2.817 0.103 -9.782 1.00 0.00 O ATOM 997 CB GLN A 64 -4.200 3.253 -9.299 1.00 0.00 C ATOM 998 CG GLN A 64 -5.116 4.189 -8.489 1.00 0.00 C ATOM 999 CD GLN A 64 -5.514 5.419 -9.318 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -5.796 5.320 -10.512 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.538 6.613 -8.744 1.00 0.00 N ATOM 0 H GLN A 64 -1.765 1.718 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.590 1.796 -7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.280 3.787 -9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.689 3.020 -10.245 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.011 3.650 -8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.605 4.508 -7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.306 6.708 -7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.788 7.437 -9.291 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.022 0.431 -10.110 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.306 -0.681 -10.991 1.00 0.00 C ATOM 1012 C ALA A 65 -4.791 -0.422 -12.395 1.00 0.00 C ATOM 1013 O ALA A 65 -5.553 -0.271 -13.350 1.00 0.00 O ATOM 1014 CB ALA A 65 -6.818 -0.930 -11.014 1.00 0.00 C ATOM 0 H ALA A 65 -5.844 1.016 -9.961 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.792 -1.565 -10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.039 -1.767 -11.676 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.164 -1.163 -10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.328 -0.037 -11.375 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.473 -0.380 -12.497 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.748 -0.197 -13.749 1.00 0.00 C ATOM 1022 C GLY A 66 -1.570 0.757 -13.682 1.00 0.00 C ATOM 1023 O GLY A 66 -0.734 0.758 -14.583 1.00 0.00 O ATOM 0 H GLY A 66 -2.858 -0.475 -11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.389 -1.169 -14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.446 0.165 -14.504 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.445 1.553 -12.616 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.335 2.504 -12.501 1.00 0.00 C ATOM 1029 C LYS A 67 1.027 1.833 -12.338 1.00 0.00 C ATOM 1030 O LYS A 67 2.037 2.536 -12.402 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.604 3.546 -11.408 1.00 0.00 C ATOM 1032 CG LYS A 67 -1.372 4.757 -11.952 1.00 0.00 C ATOM 1033 CD LYS A 67 -2.765 4.414 -12.492 1.00 0.00 C ATOM 1034 CE LYS A 67 -3.588 5.668 -12.755 1.00 0.00 C ATOM 1035 NZ LYS A 67 -3.209 6.324 -14.017 1.00 0.00 N ATOM 0 H LYS A 67 -2.092 1.559 -11.827 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.283 3.030 -13.454 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.174 3.087 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.343 3.878 -10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.472 5.498 -11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.788 5.219 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.668 3.842 -13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.287 3.779 -11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.646 5.407 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.456 6.367 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.794 7.173 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.206 6.597 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.359 5.666 -14.809 1.00 0.00 H new ATOM 1049 N ARG A 68 1.086 0.508 -12.161 1.00 0.00 N ATOM 1050 CA ARG A 68 2.309 -0.271 -12.011 1.00 0.00 C ATOM 1051 C ARG A 68 3.236 0.335 -10.964 1.00 0.00 C ATOM 1052 O ARG A 68 4.114 1.135 -11.267 1.00 0.00 O ATOM 1053 CB ARG A 68 2.953 -0.486 -13.403 1.00 0.00 C ATOM 1054 CG ARG A 68 3.453 -1.919 -13.619 1.00 0.00 C ATOM 1055 CD ARG A 68 2.310 -2.940 -13.692 1.00 0.00 C ATOM 1056 NE ARG A 68 1.516 -2.749 -14.914 1.00 0.00 N ATOM 1057 CZ ARG A 68 1.683 -3.399 -16.070 1.00 0.00 C ATOM 1058 NH1 ARG A 68 2.622 -4.328 -16.219 1.00 0.00 N ATOM 1059 NH2 ARG A 68 0.898 -3.094 -17.090 1.00 0.00 N ATOM 0 H ARG A 68 0.246 -0.069 -12.117 1.00 0.00 H new ATOM 0 HA ARG A 68 2.078 -1.261 -11.618 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.224 -0.241 -14.176 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.787 0.205 -13.522 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.033 -1.962 -14.541 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.126 -2.191 -12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.718 -3.951 -13.672 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.669 -2.838 -12.817 1.00 0.00 H new ATOM 0 HE ARG A 68 0.768 -2.056 -14.876 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.238 -4.561 -15.440 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.727 -4.808 -17.113 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.182 -2.375 -16.985 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.009 -3.578 -17.981 1.00 0.00 H new ATOM 1073 N THR A 69 3.036 -0.036 -9.706 1.00 0.00 N ATOM 1074 CA THR A 69 3.818 0.435 -8.563 1.00 0.00 C ATOM 1075 C THR A 69 5.320 0.234 -8.832 1.00 0.00 C ATOM 1076 O THR A 69 6.141 1.067 -8.435 1.00 0.00 O ATOM 1077 CB THR A 69 3.324 -0.283 -7.299 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.910 -0.392 -7.290 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.726 0.448 -6.025 1.00 0.00 C ATOM 0 H THR A 69 2.303 -0.694 -9.441 1.00 0.00 H new ATOM 0 HA THR A 69 3.679 1.505 -8.408 1.00 0.00 H new ATOM 0 HB THR A 69 3.789 -1.268 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.623 -0.855 -6.475 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.354 -0.099 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.813 0.516 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.300 1.451 -6.031 1.00 0.00 H new ATOM 1087 N SER A 70 5.666 -0.818 -9.587 1.00 0.00 N ATOM 1088 CA SER A 70 7.012 -1.196 -9.993 1.00 0.00 C ATOM 1089 C SER A 70 7.714 -0.065 -10.770 1.00 0.00 C ATOM 1090 O SER A 70 8.944 -0.033 -10.854 1.00 0.00 O ATOM 1091 CB SER A 70 6.867 -2.504 -10.783 1.00 0.00 C ATOM 1092 OG SER A 70 8.027 -3.037 -11.382 1.00 0.00 O ATOM 0 H SER A 70 4.964 -1.463 -9.949 1.00 0.00 H new ATOM 0 HA SER A 70 7.665 -1.360 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.459 -3.259 -10.111 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.128 -2.342 -11.568 1.00 0.00 H new ATOM 0 HG SER A 70 7.801 -3.867 -11.851 1.00 0.00 H new ATOM 1098 N ASN A 71 6.956 0.918 -11.266 1.00 0.00 N ATOM 1099 CA ASN A 71 7.467 2.061 -12.040 1.00 0.00 C ATOM 1100 C ASN A 71 8.345 3.028 -11.241 1.00 0.00 C ATOM 1101 O ASN A 71 8.899 3.968 -11.805 1.00 0.00 O ATOM 1102 CB ASN A 71 6.320 2.803 -12.729 1.00 0.00 C ATOM 1103 CG ASN A 71 6.804 3.664 -13.897 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.708 3.288 -14.635 1.00 0.00 O ATOM 1105 ND2 ASN A 71 6.216 4.827 -14.114 1.00 0.00 N ATOM 0 H ASN A 71 5.944 0.944 -11.139 1.00 0.00 H new ATOM 0 HA ASN A 71 8.127 1.632 -12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.589 2.081 -13.092 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.810 3.435 -12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.514 5.411 -14.895 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.464 5.141 -13.501 1.00 0.00 H new ATOM 1112 N ASN A 72 8.434 2.846 -9.923 1.00 0.00 N ATOM 1113 CA ASN A 72 9.255 3.638 -8.999 1.00 0.00 C ATOM 1114 C ASN A 72 9.802 2.712 -7.903 1.00 0.00 C ATOM 1115 O ASN A 72 10.384 3.182 -6.925 1.00 0.00 O ATOM 1116 CB ASN A 72 8.472 4.784 -8.330 1.00 0.00 C ATOM 1117 CG ASN A 72 7.872 5.783 -9.310 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.449 6.821 -9.626 1.00 0.00 O ATOM 1119 ND2 ASN A 72 6.679 5.501 -9.803 1.00 0.00 N ATOM 0 H ASN A 72 7.913 2.110 -9.446 1.00 0.00 H new ATOM 0 HA ASN A 72 10.057 4.088 -9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.671 4.358 -7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.137 5.315 -7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.229 6.147 -10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.208 4.637 -9.535 1.00 0.00 H new ATOM 1126 N ALA A 73 9.587 1.395 -8.037 1.00 0.00 N ATOM 1127 CA ALA A 73 10.000 0.388 -7.065 1.00 0.00 C ATOM 1128 C ALA A 73 11.466 0.418 -6.644 1.00 0.00 C ATOM 1129 O ALA A 73 11.741 -0.050 -5.545 1.00 0.00 O ATOM 1130 CB ALA A 73 9.617 -1.006 -7.541 1.00 0.00 C ATOM 0 H ALA A 73 9.109 0.997 -8.846 1.00 0.00 H new ATOM 0 HA ALA A 73 9.452 0.653 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.934 -1.742 -6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.536 -1.062 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.107 -1.213 -8.493 1.00 0.00 H new ATOM 1136 N ASP A 74 12.381 0.936 -7.468 1.00 0.00 N ATOM 1137 CA ASP A 74 13.808 0.982 -7.115 1.00 0.00 C ATOM 1138 C ASP A 74 13.975 1.835 -5.870 1.00 0.00 C ATOM 1139 O ASP A 74 14.407 1.348 -4.825 1.00 0.00 O ATOM 1140 CB ASP A 74 14.676 1.558 -8.252 1.00 0.00 C ATOM 1141 CG ASP A 74 15.426 0.520 -9.084 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.271 -0.705 -8.870 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.115 0.940 -10.047 1.00 0.00 O ATOM 0 H ASP A 74 12.162 1.330 -8.383 1.00 0.00 H new ATOM 0 HA ASP A 74 14.144 -0.040 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.038 2.141 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.401 2.248 -7.821 1.00 0.00 H new ATOM 1148 N LYS A 75 13.575 3.105 -5.976 1.00 0.00 N ATOM 1149 CA LYS A 75 13.671 4.032 -4.866 1.00 0.00 C ATOM 1150 C LYS A 75 12.862 3.515 -3.696 1.00 0.00 C ATOM 1151 O LYS A 75 13.390 3.430 -2.598 1.00 0.00 O ATOM 1152 CB LYS A 75 13.182 5.427 -5.271 1.00 0.00 C ATOM 1153 CG LYS A 75 14.312 6.410 -5.581 1.00 0.00 C ATOM 1154 CD LYS A 75 15.246 6.607 -4.377 1.00 0.00 C ATOM 1155 CE LYS A 75 15.882 8.002 -4.279 1.00 0.00 C ATOM 1156 NZ LYS A 75 16.411 8.507 -5.560 1.00 0.00 N ATOM 0 H LYS A 75 13.181 3.508 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 75 14.718 4.113 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.540 5.337 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.568 5.834 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.888 6.045 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.888 7.371 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.684 6.414 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.041 5.863 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.139 8.704 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.691 7.972 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.884 9.420 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.094 7.825 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.628 8.633 -6.233 1.00 0.00 H new ATOM 1170 N LEU A 76 11.592 3.169 -3.923 1.00 0.00 N ATOM 1171 CA LEU A 76 10.683 2.656 -2.891 1.00 0.00 C ATOM 1172 C LEU A 76 11.337 1.521 -2.083 1.00 0.00 C ATOM 1173 O LEU A 76 11.139 1.431 -0.872 1.00 0.00 O ATOM 1174 CB LEU A 76 9.367 2.155 -3.520 1.00 0.00 C ATOM 1175 CG LEU A 76 8.472 3.198 -4.223 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.326 2.496 -4.984 1.00 0.00 C ATOM 1177 CD2 LEU A 76 7.904 4.219 -3.234 1.00 0.00 C ATOM 0 H LEU A 76 11.158 3.238 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 76 10.462 3.481 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.614 1.380 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.778 1.680 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 76 9.095 3.739 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.703 3.244 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.745 1.824 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.720 1.923 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.280 4.935 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.304 3.704 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.723 4.746 -2.744 1.00 0.00 H new ATOM 1189 N ALA A 77 12.084 0.640 -2.752 1.00 0.00 N ATOM 1190 CA ALA A 77 12.784 -0.485 -2.150 1.00 0.00 C ATOM 1191 C ALA A 77 13.930 0.050 -1.300 1.00 0.00 C ATOM 1192 O ALA A 77 13.942 -0.169 -0.093 1.00 0.00 O ATOM 1193 CB ALA A 77 13.336 -1.454 -3.199 1.00 0.00 C ATOM 0 H ALA A 77 12.220 0.697 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 77 12.071 -1.039 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.849 -2.276 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.515 -1.849 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.037 -0.928 -3.847 1.00 0.00 H new ATOM 1199 N ALA A 78 14.882 0.762 -1.916 1.00 0.00 N ATOM 1200 CA ALA A 78 16.052 1.335 -1.249 1.00 0.00 C ATOM 1201 C ALA A 78 15.678 2.237 -0.065 1.00 0.00 C ATOM 1202 O ALA A 78 16.444 2.368 0.890 1.00 0.00 O ATOM 1203 CB ALA A 78 16.880 2.110 -2.277 1.00 0.00 C ATOM 0 H ALA A 78 14.857 0.959 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 78 16.638 0.515 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.754 2.541 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.202 1.434 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.274 2.908 -2.706 1.00 0.00 H new ATOM 1209 N ILE A 79 14.497 2.842 -0.113 1.00 0.00 N ATOM 1210 CA ILE A 79 13.950 3.721 0.900 1.00 0.00 C ATOM 1211 C ILE A 79 13.441 2.921 2.096 1.00 0.00 C ATOM 1212 O ILE A 79 13.644 3.368 3.227 1.00 0.00 O ATOM 1213 CB ILE A 79 12.830 4.568 0.257 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.480 5.785 -0.426 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.730 4.993 1.231 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.516 6.568 -1.315 1.00 0.00 C ATOM 0 H ILE A 79 13.865 2.722 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 79 14.727 4.385 1.279 1.00 0.00 H new ATOM 0 HB ILE A 79 12.316 3.944 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.880 6.451 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.324 5.447 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.983 5.584 0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.258 4.107 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.164 5.592 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.040 7.412 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.135 5.916 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.684 6.936 -0.714 1.00 0.00 H new ATOM 1228 N ALA A 80 12.762 1.784 1.891 1.00 0.00 N ATOM 1229 CA ALA A 80 12.235 1.023 3.011 1.00 0.00 C ATOM 1230 C ALA A 80 13.165 -0.096 3.486 1.00 0.00 C ATOM 1231 O ALA A 80 12.985 -0.620 4.584 1.00 0.00 O ATOM 1232 CB ALA A 80 10.830 0.580 2.650 1.00 0.00 C ATOM 0 H ALA A 80 12.572 1.383 0.973 1.00 0.00 H new ATOM 0 HA ALA A 80 12.179 1.656 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.407 0.005 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.209 1.456 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.863 -0.040 1.754 1.00 0.00 H new ATOM 1238 N ALA A 81 14.178 -0.434 2.689 1.00 0.00 N ATOM 1239 CA ALA A 81 15.165 -1.450 3.006 1.00 0.00 C ATOM 1240 C ALA A 81 15.933 -1.020 4.274 1.00 0.00 C ATOM 1241 O ALA A 81 15.962 0.178 4.583 1.00 0.00 O ATOM 1242 CB ALA A 81 16.106 -1.565 1.803 1.00 0.00 C ATOM 0 H ALA A 81 14.334 0.007 1.782 1.00 0.00 H new ATOM 0 HA ALA A 81 14.702 -2.417 3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.864 -2.322 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.534 -1.851 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.590 -0.605 1.627 1.00 0.00 H new ATOM 1248 N PRO A 82 16.635 -1.926 4.986 1.00 0.00 N ATOM 1249 CA PRO A 82 16.805 -3.357 4.726 1.00 0.00 C ATOM 1250 C PRO A 82 15.570 -4.247 4.960 1.00 0.00 C ATOM 1251 O PRO A 82 15.706 -5.462 4.779 1.00 0.00 O ATOM 1252 CB PRO A 82 17.996 -3.785 5.597 1.00 0.00 C ATOM 1253 CG PRO A 82 17.959 -2.813 6.770 1.00 0.00 C ATOM 1254 CD PRO A 82 17.451 -1.527 6.124 1.00 0.00 C ATOM 0 HA PRO A 82 16.975 -3.501 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.896 -4.818 5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.936 -3.716 5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.294 -3.159 7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.944 -2.680 7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.866 -0.942 6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.283 -0.900 5.803 1.00 0.00 H new ATOM 1262 N ALA A 83 14.410 -3.708 5.359 1.00 0.00 N ATOM 1263 CA ALA A 83 13.196 -4.496 5.581 1.00 0.00 C ATOM 1264 C ALA A 83 12.765 -5.214 4.289 1.00 0.00 C ATOM 1265 O ALA A 83 13.241 -4.896 3.197 1.00 0.00 O ATOM 1266 CB ALA A 83 12.076 -3.576 6.083 1.00 0.00 C ATOM 0 H ALA A 83 14.290 -2.711 5.537 1.00 0.00 H new ATOM 0 HA ALA A 83 13.401 -5.258 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.171 -4.161 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.382 -3.108 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.878 -2.805 5.339 1.00 0.00 H new ATOM 1272 N GLU A 84 11.875 -6.200 4.409 1.00 0.00 N ATOM 1273 CA GLU A 84 11.360 -6.972 3.283 1.00 0.00 C ATOM 1274 C GLU A 84 10.175 -6.224 2.663 1.00 0.00 C ATOM 1275 O GLU A 84 9.111 -6.146 3.281 1.00 0.00 O ATOM 1276 CB GLU A 84 10.925 -8.368 3.752 1.00 0.00 C ATOM 1277 CG GLU A 84 12.076 -9.374 3.885 1.00 0.00 C ATOM 1278 CD GLU A 84 12.665 -9.753 2.526 1.00 0.00 C ATOM 1279 OE1 GLU A 84 11.919 -10.223 1.633 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.881 -9.538 2.314 1.00 0.00 O ATOM 0 H GLU A 84 11.487 -6.487 5.307 1.00 0.00 H new ATOM 0 HA GLU A 84 12.143 -7.092 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.425 -8.276 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.192 -8.763 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.858 -8.949 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.716 -10.272 4.388 1.00 0.00 H new ATOM 1287 N ILE A 85 10.347 -5.695 1.447 1.00 0.00 N ATOM 1288 CA ILE A 85 9.320 -4.943 0.723 1.00 0.00 C ATOM 1289 C ILE A 85 8.652 -5.814 -0.334 1.00 0.00 C ATOM 1290 O ILE A 85 9.315 -6.665 -0.931 1.00 0.00 O ATOM 1291 CB ILE A 85 9.964 -3.666 0.119 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.102 -2.530 1.152 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.187 -3.089 -1.074 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.290 -2.918 2.628 1.00 0.00 C ATOM 0 H ILE A 85 11.222 -5.780 0.929 1.00 0.00 H new ATOM 0 HA ILE A 85 8.530 -4.637 1.409 1.00 0.00 H new ATOM 0 HB ILE A 85 10.944 -4.008 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.950 -1.912 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.212 -1.904 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.696 -2.199 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.135 -3.833 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.178 -2.825 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.372 -2.016 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.433 -3.503 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.198 -3.511 2.735 1.00 0.00 H new ATOM 1306 N PHE A 86 7.364 -5.549 -0.592 1.00 0.00 N ATOM 1307 CA PHE A 86 6.529 -6.224 -1.578 1.00 0.00 C ATOM 1308 C PHE A 86 5.568 -5.237 -2.239 1.00 0.00 C ATOM 1309 O PHE A 86 5.519 -4.059 -1.876 1.00 0.00 O ATOM 1310 CB PHE A 86 5.789 -7.427 -0.961 1.00 0.00 C ATOM 1311 CG PHE A 86 6.636 -8.307 -0.062 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.637 -8.107 1.331 1.00 0.00 C ATOM 1313 CD2 PHE A 86 7.444 -9.313 -0.615 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.424 -8.917 2.165 1.00 0.00 C ATOM 1315 CE2 PHE A 86 8.235 -10.125 0.215 1.00 0.00 C ATOM 1316 CZ PHE A 86 8.215 -9.935 1.607 1.00 0.00 C ATOM 0 H PHE A 86 6.857 -4.820 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 86 7.178 -6.622 -2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.940 -7.057 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.385 -8.039 -1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.028 -7.325 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.458 -9.464 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.421 -8.758 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.858 -10.895 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.807 -10.571 2.248 1.00 0.00 H new ATOM 1326 N LEU A 87 4.801 -5.724 -3.212 1.00 0.00 N ATOM 1327 CA LEU A 87 3.834 -4.995 -4.005 1.00 0.00 C ATOM 1328 C LEU A 87 2.504 -5.734 -3.964 1.00 0.00 C ATOM 1329 O LEU A 87 2.431 -6.877 -4.413 1.00 0.00 O ATOM 1330 CB LEU A 87 4.329 -4.937 -5.462 1.00 0.00 C ATOM 1331 CG LEU A 87 4.742 -3.544 -5.936 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.051 -2.997 -5.366 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.905 -3.586 -7.457 1.00 0.00 C ATOM 0 H LEU A 87 4.848 -6.707 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 87 3.711 -3.986 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.179 -5.611 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.541 -5.310 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 87 3.952 -2.881 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.239 -2.004 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.977 -2.935 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.872 -3.662 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.200 -2.601 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.672 -4.314 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.959 -3.873 -7.917 1.00 0.00 H new ATOM 1345 N LEU A 88 1.462 -5.098 -3.440 1.00 0.00 N ATOM 1346 CA LEU A 88 0.142 -5.727 -3.390 1.00 0.00 C ATOM 1347 C LEU A 88 -0.359 -5.866 -4.834 1.00 0.00 C ATOM 1348 O LEU A 88 -0.097 -4.996 -5.680 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.846 -4.915 -2.526 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.658 -5.787 -1.541 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.574 -4.889 -0.704 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.523 -6.864 -2.206 1.00 0.00 C ATOM 0 H LEU A 88 1.501 -4.158 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 88 0.215 -6.708 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.293 -4.163 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.535 -4.380 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.918 -6.307 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.148 -5.502 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.971 -4.174 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.257 -4.351 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.056 -7.427 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.242 -6.391 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.887 -7.541 -2.776 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.091 -6.937 -5.116 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.650 -7.252 -6.417 1.00 0.00 C ATOM 1366 C GLU A 89 -2.436 -6.080 -6.999 1.00 0.00 C ATOM 1367 O GLU A 89 -3.280 -5.479 -6.329 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.556 -8.479 -6.297 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.243 -8.822 -7.627 1.00 0.00 C ATOM 1370 CD GLU A 89 -4.001 -10.143 -7.552 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -3.349 -11.207 -7.643 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -5.239 -10.131 -7.375 1.00 0.00 O ATOM 0 H GLU A 89 -1.319 -7.638 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.824 -7.461 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.967 -9.333 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.313 -8.297 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.933 -8.022 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.495 -8.877 -8.418 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.123 -5.769 -8.260 1.00 0.00 N ATOM 1380 CA ASP A 90 -2.733 -4.725 -9.080 1.00 0.00 C ATOM 1381 C ASP A 90 -2.946 -3.399 -8.342 1.00 0.00 C ATOM 1382 O ASP A 90 -3.860 -2.626 -8.641 1.00 0.00 O ATOM 1383 CB ASP A 90 -3.995 -5.309 -9.737 1.00 0.00 C ATOM 1384 CG ASP A 90 -3.653 -6.308 -10.840 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -2.952 -5.898 -11.792 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -4.070 -7.484 -10.775 1.00 0.00 O ATOM 0 H ASP A 90 -1.392 -6.271 -8.764 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.039 -4.432 -9.868 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.605 -5.800 -8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.595 -4.500 -10.153 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.040 -3.089 -7.413 1.00 0.00 N ATOM 1392 CA GLY A 91 -2.069 -1.893 -6.605 1.00 0.00 C ATOM 1393 C GLY A 91 -3.279 -1.956 -5.682 1.00 0.00 C ATOM 1394 O GLY A 91 -3.200 -2.513 -4.591 1.00 0.00 O ATOM 0 H GLY A 91 -1.244 -3.691 -7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.152 -1.809 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.124 -1.009 -7.240 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.385 -1.349 -6.101 1.00 0.00 N ATOM 1399 CA ILE A 92 -5.633 -1.303 -5.347 1.00 0.00 C ATOM 1400 C ILE A 92 -6.638 -2.310 -5.913 1.00 0.00 C ATOM 1401 O ILE A 92 -7.581 -2.692 -5.222 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.147 0.164 -5.355 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.704 0.648 -4.004 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.121 0.469 -6.503 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.642 -0.295 -3.247 1.00 0.00 C ATOM 0 H ILE A 92 -4.439 -0.864 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.480 -1.599 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.245 0.748 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.859 0.875 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.235 1.584 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.437 1.510 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.625 0.293 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.993 -0.180 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.956 0.175 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.518 -0.506 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.121 -1.226 -3.026 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.446 -2.774 -7.156 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.393 -3.711 -7.745 1.00 0.00 C ATOM 1419 C ASP A 93 -7.432 -5.023 -6.984 1.00 0.00 C ATOM 1420 O ASP A 93 -8.499 -5.618 -6.925 1.00 0.00 O ATOM 1421 CB ASP A 93 -7.126 -3.977 -9.228 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.435 -4.094 -10.000 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -9.167 -3.083 -10.098 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -8.746 -5.201 -10.489 1.00 0.00 O ATOM 0 H ASP A 93 -5.661 -2.519 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.368 -3.229 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.524 -3.170 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.549 -4.895 -9.340 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.321 -5.447 -6.366 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.232 -6.680 -5.599 1.00 0.00 C ATOM 1431 C GLY A 94 -7.246 -6.705 -4.458 1.00 0.00 C ATOM 1432 O GLY A 94 -7.965 -7.690 -4.311 1.00 0.00 O ATOM 0 H GLY A 94 -5.445 -4.925 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.403 -7.532 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.225 -6.786 -5.195 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.352 -5.623 -3.674 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.294 -5.545 -2.555 1.00 0.00 C ATOM 1438 C TRP A 95 -9.693 -5.884 -3.099 1.00 0.00 C ATOM 1439 O TRP A 95 -10.390 -6.787 -2.629 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.291 -4.173 -1.887 1.00 0.00 C ATOM 1441 CG TRP A 95 -9.106 -4.129 -0.623 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -10.078 -3.226 -0.374 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -9.050 -4.989 0.572 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.564 -3.426 0.899 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.954 -4.470 1.542 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.292 -6.115 0.975 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -10.102 -5.015 2.828 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.401 -6.655 2.273 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.320 -6.122 3.195 1.00 0.00 C ATOM 0 H TRP A 95 -6.789 -4.782 -3.799 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.994 -6.255 -1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.264 -3.889 -1.660 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.679 -3.434 -2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.420 -2.468 -1.063 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.300 -2.857 1.318 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.613 -6.572 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.808 -4.588 3.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.773 -7.485 2.562 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.423 -6.560 4.177 1.00 0.00 H new ATOM 1460 N LYS A 96 -10.076 -5.173 -4.168 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.365 -5.361 -4.827 1.00 0.00 C ATOM 1462 C LYS A 96 -11.450 -6.687 -5.596 1.00 0.00 C ATOM 1463 O LYS A 96 -12.559 -7.160 -5.823 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.660 -4.144 -5.720 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.099 -4.174 -6.257 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.498 -2.831 -6.867 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.887 -2.959 -7.502 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.252 -1.743 -8.253 1.00 0.00 N ATOM 0 H LYS A 96 -9.496 -4.452 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.138 -5.429 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.502 -3.228 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.959 -4.126 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.192 -4.958 -7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.785 -4.425 -5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.506 -2.057 -6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.768 -2.528 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.905 -3.820 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.628 -3.144 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.197 -1.863 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.259 -0.926 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.558 -1.581 -9.010 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.344 -7.332 -5.978 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.320 -8.609 -6.707 1.00 0.00 C ATOM 1484 C LYS A 97 -10.953 -9.649 -5.797 1.00 0.00 C ATOM 1485 O LYS A 97 -11.797 -10.422 -6.237 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.875 -8.937 -7.139 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.686 -10.023 -8.206 1.00 0.00 C ATOM 1488 CD LYS A 97 -8.706 -11.463 -7.671 1.00 0.00 C ATOM 1489 CE LYS A 97 -7.940 -12.415 -8.606 1.00 0.00 C ATOM 1490 NZ LYS A 97 -6.469 -12.222 -8.531 1.00 0.00 N ATOM 0 H LYS A 97 -9.410 -6.971 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.893 -8.577 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.417 -8.019 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.318 -9.237 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.471 -9.918 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.737 -9.852 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.261 -11.490 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.737 -11.801 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.182 -13.446 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.272 -12.257 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.099 -12.005 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.255 -11.434 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.023 -13.091 -8.175 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.592 -9.627 -4.512 1.00 0.00 N ATOM 1505 CA ALA A 98 -11.139 -10.521 -3.498 1.00 0.00 C ATOM 1506 C ALA A 98 -12.520 -10.012 -3.016 1.00 0.00 C ATOM 1507 O ALA A 98 -13.054 -10.507 -2.022 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.132 -10.624 -2.346 1.00 0.00 C ATOM 0 H ALA A 98 -9.899 -8.975 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.298 -11.515 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.525 -11.290 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.189 -11.021 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.965 -9.635 -1.919 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.090 -8.984 -3.658 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.381 -8.404 -3.320 1.00 0.00 C ATOM 1516 C GLY A 99 -14.399 -7.795 -1.922 1.00 0.00 C ATOM 1517 O GLY A 99 -15.433 -7.849 -1.251 1.00 0.00 O ATOM 0 H GLY A 99 -12.645 -8.524 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.633 -7.636 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.150 -9.173 -3.388 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.273 -7.246 -1.458 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.151 -6.657 -0.133 1.00 0.00 C ATOM 1523 C LEU A 100 -13.403 -5.140 -0.231 1.00 0.00 C ATOM 1524 O LEU A 100 -12.939 -4.503 -1.184 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.770 -7.025 0.445 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.471 -8.543 0.473 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.024 -8.889 0.835 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.386 -9.271 1.454 1.00 0.00 C ATOM 0 H LEU A 100 -12.412 -7.200 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.898 -7.050 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.999 -6.526 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.699 -6.635 1.460 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.652 -8.873 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.897 -9.972 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.349 -8.443 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.794 -8.499 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.151 -10.335 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.237 -8.870 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.425 -9.128 1.157 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.130 -4.527 0.721 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.439 -3.100 0.705 1.00 0.00 C ATOM 1542 C PRO A 101 -13.360 -2.229 1.369 1.00 0.00 C ATOM 1543 O PRO A 101 -12.814 -2.594 2.409 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.752 -3.015 1.491 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.585 -4.087 2.569 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.747 -5.165 1.879 1.00 0.00 C ATOM 0 HA PRO A 101 -14.500 -2.721 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.898 -2.026 1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.615 -3.214 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.082 -3.693 3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.548 -4.478 2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.989 -5.560 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.370 -6.005 1.574 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.064 -1.041 0.838 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.092 -0.088 1.359 1.00 0.00 C ATOM 1556 C VAL A 102 -12.703 0.666 2.542 1.00 0.00 C ATOM 1557 O VAL A 102 -13.933 0.774 2.627 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.759 0.961 0.259 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.335 0.733 -0.197 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.681 1.018 -0.972 1.00 0.00 C ATOM 0 H VAL A 102 -13.521 -0.704 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.196 -0.628 1.665 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.916 1.925 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.080 1.458 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.659 0.851 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.239 -0.275 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.330 1.793 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.669 0.054 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.698 1.248 -0.654 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.862 1.287 3.376 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.335 2.042 4.526 1.00 0.00 C ATOM 1572 C ALA A 103 -12.819 3.400 4.021 1.00 0.00 C ATOM 1573 O ALA A 103 -12.048 4.318 3.727 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.276 2.179 5.626 1.00 0.00 C ATOM 0 H ALA A 103 -10.848 1.277 3.270 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.155 1.503 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.687 2.752 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.985 1.189 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.402 2.694 5.228 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.130 3.467 3.846 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.895 4.617 3.400 1.00 0.00 C ATOM 1582 C VAL A 104 -15.702 5.119 4.592 1.00 0.00 C ATOM 1583 O VAL A 104 -15.992 4.362 5.524 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.847 4.223 2.249 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.102 3.874 0.962 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.724 3.014 2.592 1.00 0.00 C ATOM 0 H VAL A 104 -14.728 2.660 4.025 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.226 5.393 3.028 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.465 5.109 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.820 3.605 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.520 4.735 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.434 3.033 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.372 2.783 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.090 2.154 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.335 3.244 3.465 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.140 6.371 4.546 1.00 0.00 N ATOM 1597 CA ASN A 105 -16.937 6.984 5.599 1.00 0.00 C ATOM 1598 C ASN A 105 -18.402 7.014 5.140 1.00 0.00 C ATOM 1599 O ASN A 105 -19.070 8.049 5.159 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.324 8.339 5.953 1.00 0.00 C ATOM 1601 CG ASN A 105 -17.095 9.007 7.075 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -17.141 8.506 8.192 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -17.713 10.143 6.808 1.00 0.00 N ATOM 0 H ASN A 105 -15.948 6.998 3.764 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.930 6.414 6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -15.284 8.205 6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -16.323 8.983 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.241 10.620 7.539 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.662 10.543 5.871 1.00 0.00 H new ATOM 1610 N LYS A 106 -18.906 5.847 4.712 1.00 0.00 N ATOM 1611 CA LYS A 106 -20.254 5.556 4.204 1.00 0.00 C ATOM 1612 C LYS A 106 -20.519 6.159 2.820 1.00 0.00 C ATOM 1613 O LYS A 106 -21.160 5.494 2.002 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.316 5.855 5.283 1.00 0.00 C ATOM 1615 CG LYS A 106 -22.779 5.586 4.894 1.00 0.00 C ATOM 1616 CD LYS A 106 -23.412 6.774 4.149 1.00 0.00 C ATOM 1617 CE LYS A 106 -24.941 6.788 4.190 1.00 0.00 C ATOM 1618 NZ LYS A 106 -25.459 7.008 5.556 1.00 0.00 N ATOM 0 H LYS A 106 -18.327 5.007 4.713 1.00 0.00 H new ATOM 0 HA LYS A 106 -20.331 4.486 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -21.082 5.261 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -21.226 6.903 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -22.828 4.697 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -23.358 5.373 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -23.038 7.702 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -23.086 6.753 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -25.314 7.572 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -25.322 5.842 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -26.470 7.246 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -25.332 6.143 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -24.940 7.791 6.002 1.00 0.00 H new ATOM 1632 N SER A 107 -20.105 7.390 2.537 1.00 0.00 N ATOM 1633 CA SER A 107 -20.311 7.986 1.221 1.00 0.00 C ATOM 1634 C SER A 107 -19.302 7.376 0.235 1.00 0.00 C ATOM 1635 O SER A 107 -18.247 6.892 0.656 1.00 0.00 O ATOM 1636 CB SER A 107 -20.148 9.506 1.319 1.00 0.00 C ATOM 1637 OG SER A 107 -21.089 10.045 2.233 1.00 0.00 O ATOM 0 H SER A 107 -19.624 7.995 3.202 1.00 0.00 H new ATOM 0 HA SER A 107 -21.318 7.778 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 107 -19.136 9.750 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 107 -20.286 9.957 0.336 1.00 0.00 H new ATOM 0 HG SER A 107 -20.973 11.017 2.287 1.00 0.00 H new ATOM 1643 N GLN A 108 -19.639 7.355 -1.057 1.00 0.00 N ATOM 1644 CA GLN A 108 -18.785 6.842 -2.121 1.00 0.00 C ATOM 1645 C GLN A 108 -18.504 8.059 -2.965 1.00 0.00 C ATOM 1646 O GLN A 108 -17.486 8.729 -2.722 1.00 0.00 O ATOM 1647 CB GLN A 108 -19.436 5.707 -2.937 1.00 0.00 C ATOM 1648 CG GLN A 108 -19.595 4.387 -2.164 1.00 0.00 C ATOM 1649 CD GLN A 108 -19.878 3.176 -3.072 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -19.695 3.201 -4.293 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -20.324 2.062 -2.513 1.00 0.00 N ATOM 0 H GLN A 108 -20.536 7.704 -1.396 1.00 0.00 H new ATOM 0 HA GLN A 108 -17.882 6.377 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -20.418 6.036 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -18.835 5.524 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -18.687 4.198 -1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -20.408 4.491 -1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -20.481 2.024 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -20.511 1.242 -3.089 1.00 0.00 H new TER 1660 GLN A 108