USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 180:sc=-0.00335 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -16:sc= 1.1 USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 0.0152 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= 0.509 (180deg=-1.66!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0387 K(o=-0.039,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 50 ASN : amide:sc= -0.0087 K(o=-0.0087,f=-0.62) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -82:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0923 K(o=-0.092,f=-3.9!) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.328 F(o=-0.97!,f=-0.33) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.0189 (180deg=-0.161) USER MOD Single : A 80 THR OG1 : rot -170:sc= 0.0345 USER MOD Single : A 84 ASN : amide:sc= 0.815 K(o=0.81,f=-0.12) USER MOD Single : A 85 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= 0.884 (180deg=0.00162) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0489 K(o=-0.049,f=-2.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -118:sc= 1.3 (180deg=-0.00146) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc=-0.00654 X(o=-0.0065,f=-0.004) USER MOD Single : A 114 HIS : no HD1:sc= 0.819 K(o=0.82,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 13 -3.702 -13.333 15.874 1.00 0.00 N ATOM 2 CA GLU A 13 -3.414 -13.404 17.325 1.00 0.00 C ATOM 3 C GLU A 13 -2.167 -12.699 17.805 1.00 0.00 C ATOM 4 O GLU A 13 -2.007 -12.647 19.032 1.00 0.00 O ATOM 5 CB GLU A 13 -3.578 -14.814 17.875 1.00 0.00 C ATOM 6 CG GLU A 13 -4.902 -15.531 17.566 1.00 0.00 C ATOM 7 CD GLU A 13 -4.813 -16.961 18.068 1.00 0.00 C ATOM 8 OE1 GLU A 13 -4.981 -17.156 19.296 1.00 0.00 O ATOM 9 OE2 GLU A 13 -4.585 -17.935 17.313 1.00 0.00 O ATOM 0 HA GLU A 13 -4.195 -12.790 17.774 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.763 -15.426 17.489 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.460 -14.772 18.958 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.732 -15.013 18.046 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.096 -15.519 16.494 1.00 0.00 H new ATOM 18 N ASN A 14 -1.512 -11.910 16.947 1.00 0.00 N ATOM 19 CA ASN A 14 -0.816 -10.662 17.187 1.00 0.00 C ATOM 20 C ASN A 14 -0.070 -10.090 15.991 1.00 0.00 C ATOM 21 O ASN A 14 0.753 -10.798 15.421 1.00 0.00 O ATOM 22 CB ASN A 14 0.068 -10.711 18.424 1.00 0.00 C ATOM 23 CG ASN A 14 1.023 -9.530 18.592 1.00 0.00 C ATOM 24 OD1 ASN A 14 1.918 -9.217 17.810 1.00 0.00 O ATOM 25 ND2 ASN A 14 0.750 -8.728 19.629 1.00 0.00 N ATOM 0 H ASN A 14 -1.457 -12.168 15.962 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.624 -9.955 17.376 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.571 -10.768 19.305 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.654 -11.630 18.395 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.282 -7.868 19.763 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.010 -8.977 20.285 1.00 0.00 H new ATOM 32 N ALA A 15 -0.266 -8.815 15.668 1.00 0.00 N ATOM 33 CA ALA A 15 -0.035 -8.333 14.322 1.00 0.00 C ATOM 34 C ALA A 15 1.404 -7.986 13.971 1.00 0.00 C ATOM 35 O ALA A 15 1.802 -7.893 12.809 1.00 0.00 O ATOM 36 CB ALA A 15 -0.812 -7.026 14.258 1.00 0.00 C ATOM 0 H ALA A 15 -0.584 -8.102 16.324 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.325 -9.125 13.632 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.697 -6.582 13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.868 -7.221 14.448 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.429 -6.338 15.011 1.00 0.00 H new ATOM 42 N GLU A 16 2.307 -7.890 14.953 1.00 0.00 N ATOM 43 CA GLU A 16 3.706 -7.571 14.834 1.00 0.00 C ATOM 44 C GLU A 16 4.632 -8.786 14.754 1.00 0.00 C ATOM 45 O GLU A 16 5.777 -8.613 14.325 1.00 0.00 O ATOM 46 CB GLU A 16 4.063 -6.751 16.060 1.00 0.00 C ATOM 47 CG GLU A 16 3.663 -5.289 15.866 1.00 0.00 C ATOM 48 CD GLU A 16 4.264 -4.372 16.918 1.00 0.00 C ATOM 49 OE1 GLU A 16 4.712 -4.762 18.018 1.00 0.00 O ATOM 50 OE2 GLU A 16 4.435 -3.199 16.522 1.00 0.00 O ATOM 0 H GLU A 16 2.041 -8.049 15.925 1.00 0.00 H new ATOM 0 HA GLU A 16 3.853 -7.038 13.895 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.558 -7.158 16.936 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.134 -6.818 16.250 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.980 -4.958 14.877 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.577 -5.207 15.896 1.00 0.00 H new ATOM 57 N LEU A 17 4.051 -9.942 15.038 1.00 0.00 N ATOM 58 CA LEU A 17 4.671 -11.230 14.824 1.00 0.00 C ATOM 59 C LEU A 17 4.243 -11.684 13.426 1.00 0.00 C ATOM 60 O LEU A 17 4.760 -12.729 13.060 1.00 0.00 O ATOM 61 CB LEU A 17 4.197 -12.133 15.961 1.00 0.00 C ATOM 62 CG LEU A 17 4.846 -11.806 17.291 1.00 0.00 C ATOM 63 CD1 LEU A 17 4.093 -12.484 18.440 1.00 0.00 C ATOM 64 CD2 LEU A 17 6.324 -12.206 17.389 1.00 0.00 C ATOM 0 H LEU A 17 3.113 -10.006 15.433 1.00 0.00 H new ATOM 0 HA LEU A 17 5.761 -11.234 14.846 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.115 -12.045 16.060 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.410 -13.171 15.705 1.00 0.00 H new ATOM 0 HG LEU A 17 4.795 -10.720 17.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.574 -12.237 19.386 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.061 -12.134 18.456 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.107 -13.564 18.297 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.710 -11.936 18.372 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.420 -13.282 17.244 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.894 -11.684 16.620 1.00 0.00 H new ATOM 76 N GLU A 18 3.401 -11.000 12.648 1.00 0.00 N ATOM 77 CA GLU A 18 2.675 -11.500 11.496 1.00 0.00 C ATOM 78 C GLU A 18 3.279 -10.871 10.257 1.00 0.00 C ATOM 79 O GLU A 18 2.818 -11.024 9.129 1.00 0.00 O ATOM 80 CB GLU A 18 1.204 -11.104 11.607 1.00 0.00 C ATOM 81 CG GLU A 18 0.292 -12.086 10.893 1.00 0.00 C ATOM 82 CD GLU A 18 -1.080 -11.462 10.687 1.00 0.00 C ATOM 83 OE1 GLU A 18 -1.356 -10.758 9.685 1.00 0.00 O ATOM 84 OE2 GLU A 18 -1.927 -11.567 11.594 1.00 0.00 O ATOM 0 H GLU A 18 3.200 -10.016 12.825 1.00 0.00 H new ATOM 0 HA GLU A 18 2.743 -12.587 11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.923 -11.048 12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.064 -10.108 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.723 -12.363 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.201 -13.002 11.477 1.00 0.00 H new ATOM 91 N ILE A 19 4.346 -10.090 10.462 1.00 0.00 N ATOM 92 CA ILE A 19 5.063 -9.252 9.506 1.00 0.00 C ATOM 93 C ILE A 19 6.569 -9.361 9.582 1.00 0.00 C ATOM 94 O ILE A 19 7.126 -10.003 10.459 1.00 0.00 O ATOM 95 CB ILE A 19 4.655 -7.831 9.906 1.00 0.00 C ATOM 96 CG1 ILE A 19 4.992 -7.414 11.330 1.00 0.00 C ATOM 97 CG2 ILE A 19 3.215 -7.571 9.474 1.00 0.00 C ATOM 98 CD1 ILE A 19 4.676 -5.945 11.523 1.00 0.00 C ATOM 0 H ILE A 19 4.765 -10.026 11.390 1.00 0.00 H new ATOM 0 HA ILE A 19 4.812 -9.549 8.488 1.00 0.00 H new ATOM 0 HB ILE A 19 5.299 -7.148 9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.422 -8.014 12.039 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.047 -7.598 11.533 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.926 -6.559 9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.134 -7.680 8.392 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.554 -8.288 9.961 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.919 -5.652 12.544 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.266 -5.351 10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.615 -5.774 11.339 1.00 0.00 H new ATOM 110 N VAL A 20 7.318 -8.663 8.723 1.00 0.00 N ATOM 111 CA VAL A 20 8.672 -8.198 8.974 1.00 0.00 C ATOM 112 C VAL A 20 8.736 -6.965 9.865 1.00 0.00 C ATOM 113 O VAL A 20 7.773 -6.221 10.009 1.00 0.00 O ATOM 114 CB VAL A 20 9.466 -7.810 7.726 1.00 0.00 C ATOM 115 CG1 VAL A 20 9.795 -9.083 6.953 1.00 0.00 C ATOM 116 CG2 VAL A 20 8.969 -6.719 6.781 1.00 0.00 C ATOM 0 H VAL A 20 6.977 -8.399 7.798 1.00 0.00 H new ATOM 0 HA VAL A 20 9.109 -9.076 9.450 1.00 0.00 H new ATOM 0 HB VAL A 20 10.329 -7.297 8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.362 -8.829 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.388 -9.747 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.870 -9.584 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.676 -6.598 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.994 -7.000 6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.881 -5.779 7.325 1.00 0.00 H new ATOM 126 N THR A 21 9.951 -6.567 10.242 1.00 0.00 N ATOM 127 CA THR A 21 10.344 -5.374 10.966 1.00 0.00 C ATOM 128 C THR A 21 9.904 -4.172 10.131 1.00 0.00 C ATOM 129 O THR A 21 9.224 -3.261 10.603 1.00 0.00 O ATOM 130 CB THR A 21 11.860 -5.368 11.200 1.00 0.00 C ATOM 131 OG1 THR A 21 12.121 -6.148 12.343 1.00 0.00 O ATOM 132 CG2 THR A 21 12.644 -4.070 11.409 1.00 0.00 C ATOM 0 H THR A 21 10.766 -7.139 10.020 1.00 0.00 H new ATOM 0 HA THR A 21 9.872 -5.338 11.948 1.00 0.00 H new ATOM 0 HB THR A 21 12.214 -5.721 10.231 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.086 -6.163 12.515 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.699 -4.302 11.556 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.531 -3.432 10.533 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.261 -3.551 12.288 1.00 0.00 H new ATOM 140 N ASP A 22 10.413 -4.059 8.892 1.00 0.00 N ATOM 141 CA ASP A 22 10.422 -2.779 8.231 1.00 0.00 C ATOM 142 C ASP A 22 9.064 -2.290 7.735 1.00 0.00 C ATOM 143 O ASP A 22 8.814 -1.084 7.606 1.00 0.00 O ATOM 144 CB ASP A 22 11.508 -2.853 7.163 1.00 0.00 C ATOM 145 CG ASP A 22 12.099 -1.512 6.760 1.00 0.00 C ATOM 146 OD1 ASP A 22 11.858 -0.469 7.409 1.00 0.00 O ATOM 147 OD2 ASP A 22 12.675 -1.377 5.657 1.00 0.00 O ATOM 0 H ASP A 22 10.810 -4.829 8.353 1.00 0.00 H new ATOM 0 HA ASP A 22 10.656 -1.995 8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.312 -3.494 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.094 -3.333 6.276 1.00 0.00 H new ATOM 152 N TYR A 23 8.123 -3.201 7.517 1.00 0.00 N ATOM 153 CA TYR A 23 6.812 -2.940 6.957 1.00 0.00 C ATOM 154 C TYR A 23 5.974 -1.886 7.674 1.00 0.00 C ATOM 155 O TYR A 23 6.194 -1.637 8.859 1.00 0.00 O ATOM 156 CB TYR A 23 6.093 -4.269 7.204 1.00 0.00 C ATOM 157 CG TYR A 23 4.647 -4.404 6.779 1.00 0.00 C ATOM 158 CD1 TYR A 23 3.682 -3.991 7.713 1.00 0.00 C ATOM 159 CD2 TYR A 23 4.335 -5.041 5.582 1.00 0.00 C ATOM 160 CE1 TYR A 23 2.344 -4.229 7.367 1.00 0.00 C ATOM 161 CE2 TYR A 23 2.994 -5.316 5.297 1.00 0.00 C ATOM 162 CZ TYR A 23 1.983 -4.930 6.203 1.00 0.00 C ATOM 163 OH TYR A 23 0.701 -5.308 5.925 1.00 0.00 O ATOM 0 H TYR A 23 8.265 -4.187 7.738 1.00 0.00 H new ATOM 0 HA TYR A 23 6.927 -2.581 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.660 -5.050 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.144 -4.479 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.955 -3.517 8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.114 -5.318 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.564 -3.861 8.017 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.731 -5.825 4.381 1.00 0.00 H new ATOM 0 HH TYR A 23 0.678 -5.781 5.067 1.00 0.00 H new ATOM 173 N TYR A 24 5.031 -1.278 6.945 1.00 0.00 N ATOM 174 CA TYR A 24 4.199 -0.209 7.415 1.00 0.00 C ATOM 175 C TYR A 24 3.081 -0.577 8.388 1.00 0.00 C ATOM 176 O TYR A 24 1.905 -0.727 8.051 1.00 0.00 O ATOM 177 CB TYR A 24 3.633 0.605 6.267 1.00 0.00 C ATOM 178 CG TYR A 24 2.892 -0.055 5.129 1.00 0.00 C ATOM 179 CD1 TYR A 24 2.332 -1.349 5.111 1.00 0.00 C ATOM 180 CD2 TYR A 24 2.756 0.577 3.893 1.00 0.00 C ATOM 181 CE1 TYR A 24 1.739 -2.005 4.027 1.00 0.00 C ATOM 182 CE2 TYR A 24 2.006 0.068 2.823 1.00 0.00 C ATOM 183 CZ TYR A 24 1.621 -1.279 2.823 1.00 0.00 C ATOM 184 OH TYR A 24 1.099 -1.765 1.651 1.00 0.00 O ATOM 0 H TYR A 24 4.834 -1.540 5.979 1.00 0.00 H new ATOM 0 HA TYR A 24 4.894 0.386 8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.957 1.341 6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.464 1.156 5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.365 -1.897 6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.262 1.521 3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.387 -3.023 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.726 0.712 2.002 1.00 0.00 H new ATOM 0 HH TYR A 24 1.051 -2.743 1.695 1.00 0.00 H new ATOM 194 N LYS A 25 3.496 -0.788 9.634 1.00 0.00 N ATOM 195 CA LYS A 25 2.776 -1.299 10.776 1.00 0.00 C ATOM 196 C LYS A 25 1.547 -0.446 11.095 1.00 0.00 C ATOM 197 O LYS A 25 0.515 -1.023 11.417 1.00 0.00 O ATOM 198 CB LYS A 25 3.657 -1.296 12.029 1.00 0.00 C ATOM 199 CG LYS A 25 4.709 -2.422 12.031 1.00 0.00 C ATOM 200 CD LYS A 25 5.819 -2.350 13.066 1.00 0.00 C ATOM 201 CE LYS A 25 6.817 -3.474 12.762 1.00 0.00 C ATOM 202 NZ LYS A 25 8.039 -3.267 13.551 1.00 0.00 N ATOM 0 H LYS A 25 4.461 -0.577 9.887 1.00 0.00 H new ATOM 0 HA LYS A 25 2.476 -2.314 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.163 -0.334 12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.024 -1.396 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.186 -3.369 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.172 -2.450 11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.314 -1.379 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.412 -2.462 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.376 -4.442 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.055 -3.486 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.856 -3.194 12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.951 -2.390 14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.175 -4.070 14.197 1.00 0.00 H new ATOM 216 N ILE A 26 1.608 0.862 10.847 1.00 0.00 N ATOM 217 CA ILE A 26 0.500 1.722 11.201 1.00 0.00 C ATOM 218 C ILE A 26 -0.711 1.386 10.322 1.00 0.00 C ATOM 219 O ILE A 26 -1.841 1.632 10.725 1.00 0.00 O ATOM 220 CB ILE A 26 0.859 3.185 10.988 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.363 3.624 9.621 1.00 0.00 C ATOM 222 CG2 ILE A 26 1.790 3.659 12.100 1.00 0.00 C ATOM 223 CD1 ILE A 26 1.172 5.070 9.147 1.00 0.00 C ATOM 0 H ILE A 26 2.400 1.334 10.411 1.00 0.00 H new ATOM 0 HA ILE A 26 0.267 1.559 12.253 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.110 3.683 11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.432 3.414 9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.890 2.978 8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.043 4.707 11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.292 3.548 13.063 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.701 3.061 12.091 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.597 5.185 8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.108 5.306 9.117 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.674 5.748 9.837 1.00 0.00 H new ATOM 235 N ILE A 27 -0.528 1.067 9.032 1.00 0.00 N ATOM 236 CA ILE A 27 -1.585 0.827 8.072 1.00 0.00 C ATOM 237 C ILE A 27 -2.501 -0.314 8.483 1.00 0.00 C ATOM 238 O ILE A 27 -3.732 -0.297 8.420 1.00 0.00 O ATOM 239 CB ILE A 27 -1.122 0.779 6.617 1.00 0.00 C ATOM 240 CG1 ILE A 27 -0.351 2.021 6.233 1.00 0.00 C ATOM 241 CG2 ILE A 27 -2.289 0.604 5.639 1.00 0.00 C ATOM 242 CD1 ILE A 27 -1.038 3.378 6.138 1.00 0.00 C ATOM 0 H ILE A 27 0.402 0.968 8.625 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.209 1.720 8.100 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.469 -0.091 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.462 2.126 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.104 1.826 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.907 0.576 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.810 -0.328 5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.981 1.440 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.309 4.135 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.830 3.333 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.466 3.638 7.106 1.00 0.00 H new ATOM 254 N LYS A 28 -1.880 -1.398 8.965 1.00 0.00 N ATOM 255 CA LYS A 28 -2.296 -2.776 9.032 1.00 0.00 C ATOM 256 C LYS A 28 -3.737 -2.990 9.477 1.00 0.00 C ATOM 257 O LYS A 28 -4.625 -3.275 8.689 1.00 0.00 O ATOM 258 CB LYS A 28 -1.226 -3.722 9.567 1.00 0.00 C ATOM 259 CG LYS A 28 -1.425 -5.177 9.115 1.00 0.00 C ATOM 260 CD LYS A 28 -0.494 -5.964 10.037 1.00 0.00 C ATOM 261 CE LYS A 28 -0.646 -7.473 9.825 1.00 0.00 C ATOM 262 NZ LYS A 28 -1.985 -8.003 10.138 1.00 0.00 N ATOM 0 H LYS A 28 -0.948 -1.297 9.368 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.373 -3.115 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.246 -3.376 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.227 -3.683 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.462 -5.494 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.160 -5.312 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.539 -5.671 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.713 -5.717 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.410 -7.707 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.089 -7.990 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.926 -8.625 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.632 -7.214 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.343 -8.544 9.325 1.00 0.00 H new ATOM 276 N THR A 29 -4.004 -2.831 10.775 1.00 0.00 N ATOM 277 CA THR A 29 -5.205 -3.181 11.514 1.00 0.00 C ATOM 278 C THR A 29 -6.469 -2.582 10.903 1.00 0.00 C ATOM 279 O THR A 29 -7.457 -3.318 10.791 1.00 0.00 O ATOM 280 CB THR A 29 -5.061 -2.726 12.965 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.807 -3.179 13.406 1.00 0.00 O ATOM 282 CG2 THR A 29 -6.206 -3.137 13.884 1.00 0.00 C ATOM 0 H THR A 29 -3.309 -2.410 11.392 1.00 0.00 H new ATOM 0 HA THR A 29 -5.313 -4.265 11.466 1.00 0.00 H new ATOM 0 HB THR A 29 -5.119 -1.638 13.006 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.670 -2.907 14.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.014 -2.769 14.892 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.139 -2.712 13.514 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.285 -4.224 13.904 1.00 0.00 H new ATOM 290 N ALA A 30 -6.367 -1.308 10.520 1.00 0.00 N ATOM 291 CA ALA A 30 -7.439 -0.587 9.875 1.00 0.00 C ATOM 292 C ALA A 30 -7.905 -1.037 8.505 1.00 0.00 C ATOM 293 O ALA A 30 -9.091 -1.308 8.310 1.00 0.00 O ATOM 294 CB ALA A 30 -6.962 0.870 9.913 1.00 0.00 C ATOM 0 H ALA A 30 -5.523 -0.751 10.656 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.367 -0.778 10.413 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.709 1.510 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.818 1.179 10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.019 0.958 9.374 1.00 0.00 H new ATOM 300 N ARG A 31 -6.935 -1.252 7.598 1.00 0.00 N ATOM 301 CA ARG A 31 -7.151 -1.870 6.308 1.00 0.00 C ATOM 302 C ARG A 31 -7.696 -3.273 6.468 1.00 0.00 C ATOM 303 O ARG A 31 -8.350 -3.780 5.565 1.00 0.00 O ATOM 304 CB ARG A 31 -5.840 -1.778 5.518 1.00 0.00 C ATOM 305 CG ARG A 31 -5.961 -2.289 4.090 1.00 0.00 C ATOM 306 CD ARG A 31 -4.652 -2.246 3.296 1.00 0.00 C ATOM 307 NE ARG A 31 -3.801 -3.395 3.593 1.00 0.00 N ATOM 308 CZ ARG A 31 -2.556 -3.603 3.137 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.968 -2.752 2.271 1.00 0.00 N ATOM 310 NH2 ARG A 31 -1.884 -4.689 3.513 1.00 0.00 N ATOM 0 H ARG A 31 -5.963 -0.990 7.760 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.917 -1.347 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.508 -0.740 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.070 -2.349 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.326 -3.316 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.711 -1.696 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.874 -2.224 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.115 -1.326 3.529 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.191 -4.110 4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.471 -1.926 1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.020 -2.935 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.315 -5.362 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.938 -4.848 3.167 1.00 0.00 H new ATOM 324 N GLU A 32 -7.309 -4.109 7.440 1.00 0.00 N ATOM 325 CA GLU A 32 -7.788 -5.444 7.678 1.00 0.00 C ATOM 326 C GLU A 32 -9.232 -5.497 8.173 1.00 0.00 C ATOM 327 O GLU A 32 -9.852 -6.533 7.997 1.00 0.00 O ATOM 328 CB GLU A 32 -6.856 -5.956 8.771 1.00 0.00 C ATOM 329 CG GLU A 32 -5.570 -6.476 8.112 1.00 0.00 C ATOM 330 CD GLU A 32 -4.780 -7.347 9.079 1.00 0.00 C ATOM 331 OE1 GLU A 32 -4.435 -6.958 10.209 1.00 0.00 O ATOM 332 OE2 GLU A 32 -4.463 -8.526 8.797 1.00 0.00 O ATOM 0 H GLU A 32 -6.601 -3.834 8.121 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.787 -6.030 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.624 -5.157 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.339 -6.751 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.820 -7.050 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.956 -5.635 7.789 1.00 0.00 H new ATOM 339 N GLN A 33 -9.646 -4.489 8.944 1.00 0.00 N ATOM 340 CA GLN A 33 -11.032 -4.343 9.353 1.00 0.00 C ATOM 341 C GLN A 33 -11.907 -4.204 8.120 1.00 0.00 C ATOM 342 O GLN A 33 -13.120 -4.379 8.202 1.00 0.00 O ATOM 343 CB GLN A 33 -11.122 -3.316 10.488 1.00 0.00 C ATOM 344 CG GLN A 33 -10.559 -3.825 11.812 1.00 0.00 C ATOM 345 CD GLN A 33 -10.687 -2.908 13.019 1.00 0.00 C ATOM 346 OE1 GLN A 33 -11.519 -2.010 13.082 1.00 0.00 O ATOM 347 NE2 GLN A 33 -9.868 -3.066 14.063 1.00 0.00 N ATOM 0 H GLN A 33 -9.028 -3.758 9.297 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.459 -5.227 9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.584 -2.414 10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.165 -3.033 10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.053 -4.767 12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.502 -4.047 11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.162 -3.802 14.050 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.949 -2.451 14.873 1.00 0.00 H new ATOM 356 N LEU A 34 -11.392 -3.711 7.006 1.00 0.00 N ATOM 357 CA LEU A 34 -12.079 -3.460 5.756 1.00 0.00 C ATOM 358 C LEU A 34 -12.306 -4.712 4.927 1.00 0.00 C ATOM 359 O LEU A 34 -13.238 -4.793 4.144 1.00 0.00 O ATOM 360 CB LEU A 34 -11.479 -2.303 4.964 1.00 0.00 C ATOM 361 CG LEU A 34 -11.369 -0.943 5.656 1.00 0.00 C ATOM 362 CD1 LEU A 34 -10.859 0.204 4.788 1.00 0.00 C ATOM 363 CD2 LEU A 34 -12.653 -0.454 6.335 1.00 0.00 C ATOM 0 H LEU A 34 -10.406 -3.457 6.951 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.078 -3.127 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.479 -2.598 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.075 -2.171 4.061 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.618 -1.180 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.821 1.119 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.860 -0.033 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.531 0.347 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.473 0.517 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.445 -0.362 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.955 -1.169 7.100 1.00 0.00 H new ATOM 375 N GLY A 35 -11.447 -5.703 5.206 1.00 0.00 N ATOM 376 CA GLY A 35 -11.380 -6.960 4.476 1.00 0.00 C ATOM 377 C GLY A 35 -10.916 -6.922 3.022 1.00 0.00 C ATOM 378 O GLY A 35 -10.826 -7.980 2.406 1.00 0.00 O ATOM 0 H GLY A 35 -10.767 -5.643 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.713 -7.628 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.372 -7.412 4.498 1.00 0.00 H new ATOM 382 N ILE A 36 -10.579 -5.757 2.480 1.00 0.00 N ATOM 383 CA ILE A 36 -10.123 -5.376 1.161 1.00 0.00 C ATOM 384 C ILE A 36 -8.755 -5.739 0.596 1.00 0.00 C ATOM 385 O ILE A 36 -7.894 -6.133 1.373 1.00 0.00 O ATOM 386 CB ILE A 36 -10.269 -3.864 1.085 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.283 -3.101 1.970 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.709 -3.444 1.335 1.00 0.00 C ATOM 389 CD1 ILE A 36 -9.265 -1.580 1.861 1.00 0.00 C ATOM 0 H ILE A 36 -10.633 -4.923 3.065 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.748 -6.009 0.530 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.004 -3.583 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.493 -3.361 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.280 -3.465 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.787 -2.358 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.356 -3.896 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.018 -3.776 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.519 -1.175 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.016 -1.291 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.247 -1.185 2.120 1.00 0.00 H new ATOM 401 N SER A 37 -8.645 -5.878 -0.733 1.00 0.00 N ATOM 402 CA SER A 37 -7.503 -6.514 -1.365 1.00 0.00 C ATOM 403 C SER A 37 -6.567 -5.562 -2.107 1.00 0.00 C ATOM 404 O SER A 37 -6.790 -4.368 -2.259 1.00 0.00 O ATOM 405 CB SER A 37 -7.955 -7.638 -2.291 1.00 0.00 C ATOM 406 OG SER A 37 -8.873 -7.098 -3.214 1.00 0.00 O ATOM 0 H SER A 37 -9.351 -5.549 -1.392 1.00 0.00 H new ATOM 0 HA SER A 37 -6.915 -6.920 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.100 -8.070 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.418 -8.441 -1.718 1.00 0.00 H new ATOM 0 HG SER A 37 -9.178 -7.803 -3.823 1.00 0.00 H new ATOM 412 N GLN A 38 -5.458 -6.117 -2.588 1.00 0.00 N ATOM 413 CA GLN A 38 -4.494 -5.330 -3.331 1.00 0.00 C ATOM 414 C GLN A 38 -4.995 -4.603 -4.566 1.00 0.00 C ATOM 415 O GLN A 38 -4.467 -3.538 -4.913 1.00 0.00 O ATOM 416 CB GLN A 38 -3.268 -6.204 -3.602 1.00 0.00 C ATOM 417 CG GLN A 38 -2.215 -6.014 -2.517 1.00 0.00 C ATOM 418 CD GLN A 38 -1.136 -7.091 -2.413 1.00 0.00 C ATOM 419 OE1 GLN A 38 -0.574 -7.482 -3.430 1.00 0.00 O ATOM 420 NE2 GLN A 38 -0.947 -7.783 -1.288 1.00 0.00 N ATOM 0 H GLN A 38 -5.211 -7.100 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.236 -4.484 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.566 -7.252 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.844 -5.952 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.724 -5.055 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.725 -5.949 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.400 -7.485 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.350 -8.610 -1.292 1.00 0.00 H new ATOM 429 N GLN A 39 -6.056 -5.084 -5.226 1.00 0.00 N ATOM 430 CA GLN A 39 -6.622 -4.392 -6.370 1.00 0.00 C ATOM 431 C GLN A 39 -6.995 -2.962 -6.002 1.00 0.00 C ATOM 432 O GLN A 39 -7.060 -2.070 -6.835 1.00 0.00 O ATOM 433 CB GLN A 39 -7.852 -5.071 -6.983 1.00 0.00 C ATOM 434 CG GLN A 39 -9.154 -5.054 -6.179 1.00 0.00 C ATOM 435 CD GLN A 39 -10.243 -5.990 -6.706 1.00 0.00 C ATOM 436 OE1 GLN A 39 -11.268 -5.542 -7.205 1.00 0.00 O ATOM 437 NE2 GLN A 39 -10.152 -7.324 -6.607 1.00 0.00 N ATOM 0 H GLN A 39 -6.534 -5.951 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.835 -4.415 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.048 -4.601 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.595 -6.111 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.931 -5.323 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.544 -4.036 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.320 -7.750 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.915 -7.913 -6.940 1.00 0.00 H new ATOM 446 N GLN A 40 -7.496 -2.696 -4.791 1.00 0.00 N ATOM 447 CA GLN A 40 -7.847 -1.388 -4.297 1.00 0.00 C ATOM 448 C GLN A 40 -6.653 -0.462 -4.155 1.00 0.00 C ATOM 449 O GLN A 40 -6.818 0.725 -4.423 1.00 0.00 O ATOM 450 CB GLN A 40 -8.574 -1.521 -2.952 1.00 0.00 C ATOM 451 CG GLN A 40 -9.655 -2.593 -2.991 1.00 0.00 C ATOM 452 CD GLN A 40 -10.889 -2.298 -3.839 1.00 0.00 C ATOM 453 OE1 GLN A 40 -10.936 -1.422 -4.698 1.00 0.00 O ATOM 454 NE2 GLN A 40 -11.920 -3.105 -3.581 1.00 0.00 N ATOM 0 H GLN A 40 -7.671 -3.432 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.505 -0.934 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.852 -1.763 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.022 -0.564 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.205 -3.516 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.983 -2.782 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.839 -3.820 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.789 -3.006 -4.106 1.00 0.00 H new ATOM 463 N LEU A 41 -5.494 -0.920 -3.683 1.00 0.00 N ATOM 464 CA LEU A 41 -4.204 -0.268 -3.571 1.00 0.00 C ATOM 465 C LEU A 41 -3.669 0.133 -4.950 1.00 0.00 C ATOM 466 O LEU A 41 -3.008 1.145 -5.185 1.00 0.00 O ATOM 467 CB LEU A 41 -3.345 -1.052 -2.573 1.00 0.00 C ATOM 468 CG LEU A 41 -1.859 -0.700 -2.558 1.00 0.00 C ATOM 469 CD1 LEU A 41 -1.594 0.689 -1.995 1.00 0.00 C ATOM 470 CD2 LEU A 41 -1.084 -1.713 -1.718 1.00 0.00 C ATOM 0 H LEU A 41 -5.439 -1.875 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.232 0.720 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.747 -0.893 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.445 -2.115 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.527 -0.721 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.522 0.888 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.108 1.433 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.961 0.742 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.026 -1.450 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.462 -1.703 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.210 -2.709 -2.142 1.00 0.00 H new ATOM 482 N ALA A 42 -3.838 -0.820 -5.871 1.00 0.00 N ATOM 483 CA ALA A 42 -3.444 -0.656 -7.253 1.00 0.00 C ATOM 484 C ALA A 42 -4.173 0.489 -7.928 1.00 0.00 C ATOM 485 O ALA A 42 -3.559 1.376 -8.534 1.00 0.00 O ATOM 486 CB ALA A 42 -3.681 -2.068 -7.809 1.00 0.00 C ATOM 0 H ALA A 42 -4.255 -1.728 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.414 -0.341 -7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.419 -2.091 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.061 -2.782 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.731 -2.335 -7.689 1.00 0.00 H new ATOM 492 N GLN A 43 -5.477 0.566 -7.687 1.00 0.00 N ATOM 493 CA GLN A 43 -6.314 1.707 -8.007 1.00 0.00 C ATOM 494 C GLN A 43 -5.967 2.921 -7.155 1.00 0.00 C ATOM 495 O GLN A 43 -6.077 3.972 -7.773 1.00 0.00 O ATOM 496 CB GLN A 43 -7.733 1.155 -7.879 1.00 0.00 C ATOM 497 CG GLN A 43 -7.983 0.206 -9.053 1.00 0.00 C ATOM 498 CD GLN A 43 -9.422 -0.268 -8.969 1.00 0.00 C ATOM 499 OE1 GLN A 43 -10.265 0.130 -9.762 1.00 0.00 O ATOM 500 NE2 GLN A 43 -9.711 -1.179 -8.043 1.00 0.00 N ATOM 0 H GLN A 43 -5.995 -0.195 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.170 2.114 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.852 0.628 -6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.459 1.968 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.803 0.715 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.299 -0.641 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.989 -1.493 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.654 -1.563 -7.982 1.00 0.00 H new ATOM 509 N LYS A 44 -5.570 2.887 -5.889 1.00 0.00 N ATOM 510 CA LYS A 44 -5.394 4.158 -5.215 1.00 0.00 C ATOM 511 C LYS A 44 -4.255 5.027 -5.726 1.00 0.00 C ATOM 512 O LYS A 44 -4.331 6.233 -5.505 1.00 0.00 O ATOM 513 CB LYS A 44 -5.279 3.897 -3.714 1.00 0.00 C ATOM 514 CG LYS A 44 -5.832 5.016 -2.839 1.00 0.00 C ATOM 515 CD LYS A 44 -7.273 5.478 -2.917 1.00 0.00 C ATOM 516 CE LYS A 44 -7.612 6.375 -1.719 1.00 0.00 C ATOM 517 NZ LYS A 44 -9.055 6.650 -1.665 1.00 0.00 N ATOM 0 H LYS A 44 -5.375 2.049 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.276 4.756 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.805 2.972 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.230 3.740 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.656 4.718 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.213 5.893 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.437 6.024 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.938 4.615 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.295 5.891 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.061 7.313 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.262 7.258 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.350 7.132 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.576 5.755 -1.571 1.00 0.00 H new ATOM 531 N LEU A 45 -3.256 4.415 -6.348 1.00 0.00 N ATOM 532 CA LEU A 45 -1.900 4.902 -6.587 1.00 0.00 C ATOM 533 C LEU A 45 -1.604 4.826 -8.089 1.00 0.00 C ATOM 534 O LEU A 45 -0.534 5.216 -8.561 1.00 0.00 O ATOM 535 CB LEU A 45 -0.844 4.235 -5.730 1.00 0.00 C ATOM 536 CG LEU A 45 0.622 4.618 -5.820 1.00 0.00 C ATOM 537 CD1 LEU A 45 0.877 6.117 -5.621 1.00 0.00 C ATOM 538 CD2 LEU A 45 1.447 3.803 -4.825 1.00 0.00 C ATOM 0 H LEU A 45 -3.384 3.480 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.852 5.944 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.144 4.379 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.903 3.166 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 45 0.936 4.386 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.946 6.318 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.345 6.681 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.522 6.419 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.496 4.089 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.091 3.996 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.343 2.741 -5.050 1.00 0.00 H new ATOM 550 N LYS A 46 -2.582 4.438 -8.898 1.00 0.00 N ATOM 551 CA LYS A 46 -2.558 4.176 -10.317 1.00 0.00 C ATOM 552 C LYS A 46 -1.345 3.346 -10.720 1.00 0.00 C ATOM 553 O LYS A 46 -0.487 3.897 -11.418 1.00 0.00 O ATOM 554 CB LYS A 46 -2.825 5.465 -11.094 1.00 0.00 C ATOM 555 CG LYS A 46 -4.190 6.080 -10.766 1.00 0.00 C ATOM 556 CD LYS A 46 -4.434 7.464 -11.346 1.00 0.00 C ATOM 557 CE LYS A 46 -5.684 8.208 -10.870 1.00 0.00 C ATOM 558 NZ LYS A 46 -5.950 9.339 -11.768 1.00 0.00 N ATOM 0 H LYS A 46 -3.518 4.284 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.381 3.522 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.041 6.189 -10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.771 5.258 -12.163 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.969 5.409 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.295 6.134 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.566 8.083 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.488 7.372 -12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.539 7.532 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.542 8.565 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.799 9.846 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.137 9.987 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.103 8.986 -12.734 1.00 0.00 H new ATOM 572 N VAL A 47 -1.263 2.086 -10.292 1.00 0.00 N ATOM 573 CA VAL A 47 -0.301 1.050 -10.592 1.00 0.00 C ATOM 574 C VAL A 47 -0.896 -0.351 -10.573 1.00 0.00 C ATOM 575 O VAL A 47 -2.031 -0.543 -10.175 1.00 0.00 O ATOM 576 CB VAL A 47 0.750 0.977 -9.487 1.00 0.00 C ATOM 577 CG1 VAL A 47 1.579 2.262 -9.460 1.00 0.00 C ATOM 578 CG2 VAL A 47 0.162 0.657 -8.113 1.00 0.00 C ATOM 0 H VAL A 47 -1.966 1.733 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 47 0.083 1.312 -11.578 1.00 0.00 H new ATOM 0 HB VAL A 47 1.406 0.139 -9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.325 2.197 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.079 2.392 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.924 3.113 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.963 0.620 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.553 1.431 -7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.343 -0.308 -8.149 1.00 0.00 H new ATOM 588 N SER A 48 -0.065 -1.283 -11.052 1.00 0.00 N ATOM 589 CA SER A 48 -0.512 -2.642 -11.331 1.00 0.00 C ATOM 590 C SER A 48 -0.195 -3.434 -10.075 1.00 0.00 C ATOM 591 O SER A 48 0.737 -3.102 -9.343 1.00 0.00 O ATOM 592 CB SER A 48 0.240 -3.110 -12.561 1.00 0.00 C ATOM 593 OG SER A 48 1.639 -2.935 -12.466 1.00 0.00 O ATOM 0 H SER A 48 0.921 -1.116 -11.253 1.00 0.00 H new ATOM 0 HA SER A 48 -1.575 -2.749 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.024 -4.165 -12.730 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.128 -2.566 -13.431 1.00 0.00 H new ATOM 0 HG SER A 48 2.065 -3.257 -13.288 1.00 0.00 H new ATOM 599 N GLU A 49 -0.825 -4.585 -9.813 1.00 0.00 N ATOM 600 CA GLU A 49 -0.471 -5.419 -8.674 1.00 0.00 C ATOM 601 C GLU A 49 0.907 -6.074 -8.752 1.00 0.00 C ATOM 602 O GLU A 49 1.384 -6.472 -7.683 1.00 0.00 O ATOM 603 CB GLU A 49 -1.534 -6.516 -8.558 1.00 0.00 C ATOM 604 CG GLU A 49 -2.746 -5.987 -7.815 1.00 0.00 C ATOM 605 CD GLU A 49 -3.844 -7.028 -7.993 1.00 0.00 C ATOM 606 OE1 GLU A 49 -4.405 -7.221 -9.099 1.00 0.00 O ATOM 607 OE2 GLU A 49 -4.066 -7.793 -7.029 1.00 0.00 O ATOM 0 H GLU A 49 -1.586 -4.956 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.431 -4.763 -7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.826 -6.857 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.123 -7.378 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.520 -5.837 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.057 -5.022 -8.215 1.00 0.00 H new ATOM 614 N ASN A 50 1.587 -6.155 -9.898 1.00 0.00 N ATOM 615 CA ASN A 50 3.020 -6.289 -10.018 1.00 0.00 C ATOM 616 C ASN A 50 3.811 -5.289 -9.186 1.00 0.00 C ATOM 617 O ASN A 50 4.723 -5.692 -8.436 1.00 0.00 O ATOM 618 CB ASN A 50 3.330 -6.227 -11.512 1.00 0.00 C ATOM 619 CG ASN A 50 4.830 -6.349 -11.784 1.00 0.00 C ATOM 620 OD1 ASN A 50 5.580 -5.381 -11.902 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.325 -7.580 -11.954 1.00 0.00 N ATOM 0 H ASN A 50 1.120 -6.126 -10.805 1.00 0.00 H new ATOM 0 HA ASN A 50 3.345 -7.241 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.800 -7.028 -12.027 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.961 -5.287 -11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.312 -7.706 -12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.715 -8.392 -11.859 1.00 0.00 H new ATOM 628 N ILE A 51 3.456 -4.005 -9.231 1.00 0.00 N ATOM 629 CA ILE A 51 4.191 -2.959 -8.564 1.00 0.00 C ATOM 630 C ILE A 51 3.913 -2.934 -7.061 1.00 0.00 C ATOM 631 O ILE A 51 4.791 -2.561 -6.299 1.00 0.00 O ATOM 632 CB ILE A 51 3.835 -1.705 -9.349 1.00 0.00 C ATOM 633 CG1 ILE A 51 4.592 -1.650 -10.669 1.00 0.00 C ATOM 634 CG2 ILE A 51 4.242 -0.479 -8.533 1.00 0.00 C ATOM 635 CD1 ILE A 51 4.342 -0.487 -11.626 1.00 0.00 C ATOM 0 H ILE A 51 2.639 -3.670 -9.741 1.00 0.00 H new ATOM 0 HA ILE A 51 5.273 -3.093 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 51 2.763 -1.720 -9.546 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.657 -1.660 -10.437 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.375 -2.571 -11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.991 0.426 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.710 -0.482 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.316 -0.505 -8.348 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.963 -0.607 -12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.292 -0.474 -11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.593 0.451 -11.132 1.00 0.00 H new ATOM 647 N VAL A 52 2.728 -3.396 -6.635 1.00 0.00 N ATOM 648 CA VAL A 52 2.328 -3.396 -5.248 1.00 0.00 C ATOM 649 C VAL A 52 2.967 -4.570 -4.508 1.00 0.00 C ATOM 650 O VAL A 52 3.437 -4.372 -3.388 1.00 0.00 O ATOM 651 CB VAL A 52 0.839 -3.285 -4.991 1.00 0.00 C ATOM 652 CG1 VAL A 52 0.126 -2.331 -5.964 1.00 0.00 C ATOM 653 CG2 VAL A 52 0.054 -4.583 -4.828 1.00 0.00 C ATOM 0 H VAL A 52 2.023 -3.782 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 52 2.714 -2.463 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 52 0.832 -2.849 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.937 -2.296 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.551 -1.332 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.258 -2.688 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.996 -4.353 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.146 -5.180 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.451 -5.145 -3.982 1.00 0.00 H new ATOM 663 N LYS A 53 2.942 -5.810 -5.008 1.00 0.00 N ATOM 664 CA LYS A 53 3.255 -6.972 -4.208 1.00 0.00 C ATOM 665 C LYS A 53 4.596 -6.868 -3.514 1.00 0.00 C ATOM 666 O LYS A 53 4.820 -7.416 -2.430 1.00 0.00 O ATOM 667 CB LYS A 53 3.043 -8.164 -5.141 1.00 0.00 C ATOM 668 CG LYS A 53 2.875 -9.459 -4.331 1.00 0.00 C ATOM 669 CD LYS A 53 2.689 -10.678 -5.248 1.00 0.00 C ATOM 670 CE LYS A 53 2.553 -11.995 -4.489 1.00 0.00 C ATOM 671 NZ LYS A 53 2.855 -13.136 -5.362 1.00 0.00 N ATOM 0 H LYS A 53 2.704 -6.023 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 53 2.603 -7.086 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.160 -7.997 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.892 -8.259 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.749 -9.609 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.014 -9.366 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.801 -10.528 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.539 -10.745 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.228 -11.998 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.541 -12.090 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.756 -14.021 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.194 -13.143 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.829 -13.054 -5.716 1.00 0.00 H new ATOM 685 N ARG A 54 5.510 -6.114 -4.123 1.00 0.00 N ATOM 686 CA ARG A 54 6.845 -5.820 -3.643 1.00 0.00 C ATOM 687 C ARG A 54 7.026 -5.447 -2.179 1.00 0.00 C ATOM 688 O ARG A 54 7.780 -6.116 -1.475 1.00 0.00 O ATOM 689 CB ARG A 54 7.572 -4.772 -4.470 1.00 0.00 C ATOM 690 CG ARG A 54 7.594 -5.210 -5.938 1.00 0.00 C ATOM 691 CD ARG A 54 7.939 -4.049 -6.865 1.00 0.00 C ATOM 692 NE ARG A 54 7.824 -4.570 -8.227 1.00 0.00 N ATOM 693 CZ ARG A 54 8.176 -3.883 -9.327 1.00 0.00 C ATOM 694 NH1 ARG A 54 8.626 -2.621 -9.296 1.00 0.00 N ATOM 695 NH2 ARG A 54 7.987 -4.509 -10.496 1.00 0.00 N ATOM 0 H ARG A 54 5.319 -5.668 -5.020 1.00 0.00 H new ATOM 0 HA ARG A 54 7.284 -6.811 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.074 -3.807 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.590 -4.644 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.323 -6.010 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.621 -5.618 -6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.260 -3.211 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.947 -3.682 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 54 7.454 -5.513 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.716 -2.133 -8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.879 -2.148 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.597 -5.451 -10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.233 -4.043 -11.369 1.00 0.00 H new ATOM 709 N PHE A 55 6.363 -4.403 -1.678 1.00 0.00 N ATOM 710 CA PHE A 55 6.436 -3.989 -0.291 1.00 0.00 C ATOM 711 C PHE A 55 5.273 -4.570 0.508 1.00 0.00 C ATOM 712 O PHE A 55 5.367 -4.816 1.720 1.00 0.00 O ATOM 713 CB PHE A 55 6.225 -2.484 -0.225 1.00 0.00 C ATOM 714 CG PHE A 55 5.097 -1.832 -0.992 1.00 0.00 C ATOM 715 CD1 PHE A 55 5.293 -1.504 -2.338 1.00 0.00 C ATOM 716 CD2 PHE A 55 3.926 -1.493 -0.329 1.00 0.00 C ATOM 717 CE1 PHE A 55 4.439 -0.633 -3.020 1.00 0.00 C ATOM 718 CE2 PHE A 55 3.041 -0.615 -0.979 1.00 0.00 C ATOM 719 CZ PHE A 55 3.326 -0.204 -2.281 1.00 0.00 C ATOM 0 H PHE A 55 5.750 -3.815 -2.243 1.00 0.00 H new ATOM 0 HA PHE A 55 7.398 -4.316 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.092 -2.224 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.152 -2.015 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.130 -1.937 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.703 -1.889 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.621 -0.315 -4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.152 -0.263 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.645 0.490 -2.751 1.00 0.00 H new ATOM 729 N GLU A 56 4.163 -4.842 -0.168 1.00 0.00 N ATOM 730 CA GLU A 56 3.026 -5.532 0.416 1.00 0.00 C ATOM 731 C GLU A 56 3.493 -6.813 1.088 1.00 0.00 C ATOM 732 O GLU A 56 3.029 -7.135 2.179 1.00 0.00 O ATOM 733 CB GLU A 56 1.910 -5.760 -0.601 1.00 0.00 C ATOM 734 CG GLU A 56 0.939 -4.580 -0.621 1.00 0.00 C ATOM 735 CD GLU A 56 -0.089 -4.560 0.515 1.00 0.00 C ATOM 736 OE1 GLU A 56 0.202 -4.228 1.682 1.00 0.00 O ATOM 737 OE2 GLU A 56 -1.273 -4.669 0.187 1.00 0.00 O ATOM 0 H GLU A 56 4.029 -4.586 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 56 2.585 -4.897 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.340 -5.899 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.371 -6.675 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.515 -3.656 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.406 -4.585 -1.572 1.00 0.00 H new ATOM 744 N SER A 57 4.603 -7.387 0.596 1.00 0.00 N ATOM 745 CA SER A 57 5.120 -8.608 1.186 1.00 0.00 C ATOM 746 C SER A 57 6.260 -8.465 2.175 1.00 0.00 C ATOM 747 O SER A 57 6.678 -9.411 2.850 1.00 0.00 O ATOM 748 CB SER A 57 5.710 -9.522 0.116 1.00 0.00 C ATOM 749 OG SER A 57 6.545 -8.776 -0.741 1.00 0.00 O ATOM 0 H SER A 57 5.142 -7.026 -0.192 1.00 0.00 H new ATOM 0 HA SER A 57 4.237 -8.988 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.279 -10.326 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.910 -9.990 -0.457 1.00 0.00 H new ATOM 0 HG SER A 57 5.998 -8.317 -1.412 1.00 0.00 H new ATOM 755 N GLY A 58 6.710 -7.238 2.454 1.00 0.00 N ATOM 756 CA GLY A 58 7.876 -6.897 3.253 1.00 0.00 C ATOM 757 C GLY A 58 9.221 -6.985 2.539 1.00 0.00 C ATOM 758 O GLY A 58 10.224 -6.815 3.225 1.00 0.00 O ATOM 0 H GLY A 58 6.234 -6.407 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.751 -5.881 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.903 -7.556 4.121 1.00 0.00 H new ATOM 762 N LYS A 59 9.255 -7.223 1.229 1.00 0.00 N ATOM 763 CA LYS A 59 10.498 -7.554 0.555 1.00 0.00 C ATOM 764 C LYS A 59 11.187 -6.360 -0.111 1.00 0.00 C ATOM 765 O LYS A 59 12.257 -6.491 -0.678 1.00 0.00 O ATOM 766 CB LYS A 59 10.103 -8.604 -0.479 1.00 0.00 C ATOM 767 CG LYS A 59 9.948 -10.002 0.115 1.00 0.00 C ATOM 768 CD LYS A 59 9.365 -10.932 -0.939 1.00 0.00 C ATOM 769 CE LYS A 59 8.505 -12.117 -0.489 1.00 0.00 C ATOM 770 NZ LYS A 59 9.327 -13.061 0.273 1.00 0.00 N ATOM 0 H LYS A 59 8.437 -7.192 0.620 1.00 0.00 H new ATOM 0 HA LYS A 59 11.236 -7.909 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.164 -8.309 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.857 -8.632 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.915 -10.376 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.297 -9.969 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.762 -10.326 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.195 -11.330 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.675 -11.765 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.072 -12.615 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.741 -13.864 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.104 -13.406 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.720 -12.583 1.109 1.00 0.00 H new ATOM 784 N LEU A 60 10.595 -5.170 -0.072 1.00 0.00 N ATOM 785 CA LEU A 60 11.043 -3.952 -0.743 1.00 0.00 C ATOM 786 C LEU A 60 10.686 -2.787 0.175 1.00 0.00 C ATOM 787 O LEU A 60 9.525 -2.543 0.474 1.00 0.00 O ATOM 788 CB LEU A 60 10.320 -3.686 -2.053 1.00 0.00 C ATOM 789 CG LEU A 60 10.904 -2.415 -2.659 1.00 0.00 C ATOM 790 CD1 LEU A 60 12.320 -2.546 -3.191 1.00 0.00 C ATOM 791 CD2 LEU A 60 10.094 -2.175 -3.937 1.00 0.00 C ATOM 0 H LEU A 60 9.738 -5.020 0.461 1.00 0.00 H new ATOM 0 HA LEU A 60 12.107 -4.062 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.445 -4.527 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.250 -3.571 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 60 10.883 -1.656 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.645 -1.590 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.988 -2.839 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.346 -3.304 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.455 -1.274 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.208 -3.028 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.041 -2.052 -3.683 1.00 0.00 H new ATOM 803 N LYS A 61 11.666 -1.906 0.433 1.00 0.00 N ATOM 804 CA LYS A 61 11.387 -0.610 1.034 1.00 0.00 C ATOM 805 C LYS A 61 10.920 0.380 -0.017 1.00 0.00 C ATOM 806 O LYS A 61 11.678 0.522 -0.963 1.00 0.00 O ATOM 807 CB LYS A 61 12.664 -0.168 1.765 1.00 0.00 C ATOM 808 CG LYS A 61 12.684 1.252 2.326 1.00 0.00 C ATOM 809 CD LYS A 61 13.643 1.330 3.500 1.00 0.00 C ATOM 810 CE LYS A 61 13.919 2.768 3.952 1.00 0.00 C ATOM 811 NZ LYS A 61 14.796 2.748 5.132 1.00 0.00 N ATOM 0 H LYS A 61 12.652 -2.075 0.233 1.00 0.00 H new ATOM 0 HA LYS A 61 10.570 -0.667 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.840 -0.860 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.502 -0.272 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.987 1.955 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.682 1.541 2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.232 0.765 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.584 0.854 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.389 3.331 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.982 3.273 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.985 3.723 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.331 2.225 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.693 2.282 4.890 1.00 0.00 H new ATOM 825 N PRO A 62 9.788 1.075 0.102 1.00 0.00 N ATOM 826 CA PRO A 62 9.289 2.014 -0.891 1.00 0.00 C ATOM 827 C PRO A 62 10.015 3.325 -0.644 1.00 0.00 C ATOM 828 O PRO A 62 10.838 3.415 0.267 1.00 0.00 O ATOM 829 CB PRO A 62 7.785 2.098 -0.653 1.00 0.00 C ATOM 830 CG PRO A 62 7.683 1.782 0.830 1.00 0.00 C ATOM 831 CD PRO A 62 8.845 0.848 1.186 1.00 0.00 C ATOM 0 HA PRO A 62 9.460 1.731 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.389 3.086 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.235 1.381 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.732 2.697 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.728 1.308 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.278 1.093 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.527 -0.193 1.233 1.00 0.00 H new ATOM 839 N THR A 63 9.761 4.359 -1.462 1.00 0.00 N ATOM 840 CA THR A 63 10.712 5.445 -1.556 1.00 0.00 C ATOM 841 C THR A 63 10.384 6.640 -0.672 1.00 0.00 C ATOM 842 O THR A 63 9.288 6.718 -0.130 1.00 0.00 O ATOM 843 CB THR A 63 10.847 5.747 -3.049 1.00 0.00 C ATOM 844 OG1 THR A 63 9.670 6.287 -3.598 1.00 0.00 O ATOM 845 CG2 THR A 63 11.406 4.610 -3.898 1.00 0.00 C ATOM 0 H THR A 63 8.929 4.454 -2.045 1.00 0.00 H new ATOM 0 HA THR A 63 11.681 5.159 -1.148 1.00 0.00 H new ATOM 0 HB THR A 63 11.617 6.518 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.806 6.465 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.461 4.927 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.404 4.349 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.753 3.741 -3.817 1.00 0.00 H new ATOM 853 N ILE A 64 11.339 7.579 -0.506 1.00 0.00 N ATOM 854 CA ILE A 64 11.136 8.845 0.157 1.00 0.00 C ATOM 855 C ILE A 64 9.938 9.637 -0.355 1.00 0.00 C ATOM 856 O ILE A 64 9.118 10.071 0.453 1.00 0.00 O ATOM 857 CB ILE A 64 12.473 9.567 0.285 1.00 0.00 C ATOM 858 CG1 ILE A 64 12.423 10.578 1.423 1.00 0.00 C ATOM 859 CG2 ILE A 64 12.876 10.209 -1.035 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.504 11.633 1.476 1.00 0.00 C ATOM 0 H ILE A 64 12.293 7.455 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 64 10.802 8.678 1.181 1.00 0.00 H new ATOM 0 HB ILE A 64 13.244 8.836 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.460 11.087 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.447 10.026 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.833 10.717 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.967 9.439 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.117 10.931 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.339 12.280 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.478 11.152 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.476 12.229 0.564 1.00 0.00 H new ATOM 872 N SER A 65 9.765 9.837 -1.659 1.00 0.00 N ATOM 873 CA SER A 65 8.491 10.239 -2.215 1.00 0.00 C ATOM 874 C SER A 65 7.360 9.289 -1.827 1.00 0.00 C ATOM 875 O SER A 65 6.316 9.731 -1.367 1.00 0.00 O ATOM 876 CB SER A 65 8.642 10.605 -3.693 1.00 0.00 C ATOM 877 OG SER A 65 9.025 9.479 -4.454 1.00 0.00 O ATOM 0 H SER A 65 10.505 9.724 -2.351 1.00 0.00 H new ATOM 0 HA SER A 65 8.156 11.168 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.700 11.002 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.387 11.393 -3.802 1.00 0.00 H new ATOM 0 HG SER A 65 9.114 9.736 -5.396 1.00 0.00 H new ATOM 883 N GLN A 66 7.513 7.993 -2.112 1.00 0.00 N ATOM 884 CA GLN A 66 6.362 7.106 -2.104 1.00 0.00 C ATOM 885 C GLN A 66 5.837 6.838 -0.708 1.00 0.00 C ATOM 886 O GLN A 66 4.611 6.925 -0.663 1.00 0.00 O ATOM 887 CB GLN A 66 6.734 5.847 -2.881 1.00 0.00 C ATOM 888 CG GLN A 66 5.663 4.752 -2.848 1.00 0.00 C ATOM 889 CD GLN A 66 6.295 3.700 -3.748 1.00 0.00 C ATOM 890 OE1 GLN A 66 7.408 3.252 -3.434 1.00 0.00 O ATOM 891 NE2 GLN A 66 5.710 3.130 -4.795 1.00 0.00 N ATOM 0 H GLN A 66 8.401 7.549 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 66 5.519 7.585 -2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.929 6.118 -3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.663 5.444 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.486 4.379 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.704 5.101 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.793 3.452 -5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.177 2.370 -5.289 1.00 0.00 H new ATOM 900 N ALA A 67 6.588 6.729 0.391 1.00 0.00 N ATOM 901 CA ALA A 67 6.141 6.684 1.764 1.00 0.00 C ATOM 902 C ALA A 67 5.426 7.982 2.097 1.00 0.00 C ATOM 903 O ALA A 67 4.373 7.927 2.731 1.00 0.00 O ATOM 904 CB ALA A 67 7.382 6.494 2.636 1.00 0.00 C ATOM 0 H ALA A 67 7.604 6.666 0.326 1.00 0.00 H new ATOM 0 HA ALA A 67 5.442 5.866 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.087 6.455 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.879 5.563 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.066 7.329 2.482 1.00 0.00 H new ATOM 910 N ARG A 68 5.862 9.180 1.740 1.00 0.00 N ATOM 911 CA ARG A 68 5.164 10.442 1.941 1.00 0.00 C ATOM 912 C ARG A 68 3.870 10.342 1.145 1.00 0.00 C ATOM 913 O ARG A 68 2.907 10.972 1.553 1.00 0.00 O ATOM 914 CB ARG A 68 6.096 11.556 1.495 1.00 0.00 C ATOM 915 CG ARG A 68 5.692 13.010 1.786 1.00 0.00 C ATOM 916 CD ARG A 68 5.361 13.349 3.246 1.00 0.00 C ATOM 917 NE ARG A 68 4.901 14.721 3.477 1.00 0.00 N ATOM 918 CZ ARG A 68 5.443 15.725 4.186 1.00 0.00 C ATOM 919 NH1 ARG A 68 6.387 15.452 5.085 1.00 0.00 N ATOM 920 NH2 ARG A 68 5.082 17.011 4.129 1.00 0.00 N ATOM 0 H ARG A 68 6.762 9.306 1.277 1.00 0.00 H new ATOM 0 HA ARG A 68 4.901 10.658 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.067 11.382 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.236 11.460 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.503 13.661 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.823 13.252 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.592 12.661 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.248 13.173 3.854 1.00 0.00 H new ATOM 0 HE ARG A 68 4.018 14.953 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.691 14.489 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.806 16.206 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.331 17.303 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.558 17.701 4.711 1.00 0.00 H new ATOM 934 N GLN A 69 3.758 9.832 -0.083 1.00 0.00 N ATOM 935 CA GLN A 69 2.465 9.701 -0.733 1.00 0.00 C ATOM 936 C GLN A 69 1.571 8.605 -0.185 1.00 0.00 C ATOM 937 O GLN A 69 0.357 8.728 -0.245 1.00 0.00 O ATOM 938 CB GLN A 69 2.784 9.470 -2.207 1.00 0.00 C ATOM 939 CG GLN A 69 2.996 10.799 -2.916 1.00 0.00 C ATOM 940 CD GLN A 69 4.016 10.660 -4.037 1.00 0.00 C ATOM 941 OE1 GLN A 69 5.265 10.334 -3.715 1.00 0.00 O flip ATOM 942 NE2 GLN A 69 3.863 10.810 -5.246 1.00 0.00 N flip ATOM 0 H GLN A 69 4.547 9.506 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 69 1.879 10.602 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.678 8.854 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.969 8.923 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.049 11.154 -3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.336 11.547 -2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.947 11.062 -5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.652 10.683 -5.880 1.00 0.00 H new ATOM 951 N LEU A 70 2.122 7.503 0.337 1.00 0.00 N ATOM 952 CA LEU A 70 1.512 6.250 0.736 1.00 0.00 C ATOM 953 C LEU A 70 0.384 6.518 1.710 1.00 0.00 C ATOM 954 O LEU A 70 -0.796 6.267 1.412 1.00 0.00 O ATOM 955 CB LEU A 70 2.505 5.184 1.185 1.00 0.00 C ATOM 956 CG LEU A 70 2.794 4.171 0.087 1.00 0.00 C ATOM 957 CD1 LEU A 70 3.912 3.268 0.611 1.00 0.00 C ATOM 958 CD2 LEU A 70 1.574 3.369 -0.322 1.00 0.00 C ATOM 0 H LEU A 70 3.128 7.476 0.506 1.00 0.00 H new ATOM 0 HA LEU A 70 1.074 5.792 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.436 5.662 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.110 4.667 2.060 1.00 0.00 H new ATOM 0 HG LEU A 70 3.096 4.690 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.159 2.520 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.795 3.870 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.581 2.770 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.848 2.665 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.194 2.820 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.802 4.044 -0.692 1.00 0.00 H new ATOM 970 N GLU A 71 0.801 6.813 2.938 1.00 0.00 N ATOM 971 CA GLU A 71 0.019 7.073 4.129 1.00 0.00 C ATOM 972 C GLU A 71 -1.082 8.072 3.790 1.00 0.00 C ATOM 973 O GLU A 71 -2.073 8.199 4.515 1.00 0.00 O ATOM 974 CB GLU A 71 0.943 7.400 5.300 1.00 0.00 C ATOM 975 CG GLU A 71 1.687 8.726 5.128 1.00 0.00 C ATOM 976 CD GLU A 71 2.355 9.064 6.458 1.00 0.00 C ATOM 977 OE1 GLU A 71 3.490 8.632 6.762 1.00 0.00 O ATOM 978 OE2 GLU A 71 1.773 9.932 7.155 1.00 0.00 O ATOM 0 H GLU A 71 1.799 6.881 3.137 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.520 6.194 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.357 7.436 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.669 6.596 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.432 8.646 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.996 9.517 4.836 1.00 0.00 H new ATOM 985 N LYS A 72 -0.811 8.883 2.782 1.00 0.00 N ATOM 986 CA LYS A 72 -1.539 10.086 2.430 1.00 0.00 C ATOM 987 C LYS A 72 -2.698 9.780 1.489 1.00 0.00 C ATOM 988 O LYS A 72 -3.750 10.337 1.799 1.00 0.00 O ATOM 989 CB LYS A 72 -0.550 11.143 1.934 1.00 0.00 C ATOM 990 CG LYS A 72 -1.264 12.446 1.594 1.00 0.00 C ATOM 991 CD LYS A 72 -0.232 13.525 1.261 1.00 0.00 C ATOM 992 CE LYS A 72 0.419 14.271 2.421 1.00 0.00 C ATOM 993 NZ LYS A 72 -0.296 15.410 3.006 1.00 0.00 N ATOM 0 H LYS A 72 -0.029 8.707 2.151 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.026 10.513 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.204 11.327 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.027 10.771 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.934 12.295 0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.880 12.765 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.561 13.060 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.714 14.261 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.604 13.550 3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.392 14.628 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.268 15.813 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.450 16.135 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.214 15.091 3.376 1.00 0.00 H new ATOM 1007 N ILE A 73 -2.485 8.889 0.529 1.00 0.00 N ATOM 1008 CA ILE A 73 -3.547 8.409 -0.352 1.00 0.00 C ATOM 1009 C ILE A 73 -4.517 7.557 0.458 1.00 0.00 C ATOM 1010 O ILE A 73 -5.736 7.630 0.299 1.00 0.00 O ATOM 1011 CB ILE A 73 -2.953 7.776 -1.608 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -2.185 6.472 -1.406 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -2.279 8.816 -2.490 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -2.016 5.530 -2.580 1.00 0.00 C ATOM 0 H ILE A 73 -1.572 8.477 0.338 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.153 9.225 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.803 7.403 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.189 6.729 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.681 5.918 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.867 8.331 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.011 9.565 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.475 9.299 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.448 4.655 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.996 5.217 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.482 6.040 -3.382 1.00 0.00 H new ATOM 1026 N LEU A 74 -4.008 6.731 1.362 1.00 0.00 N ATOM 1027 CA LEU A 74 -4.836 5.779 2.075 1.00 0.00 C ATOM 1028 C LEU A 74 -5.773 6.493 3.026 1.00 0.00 C ATOM 1029 O LEU A 74 -6.958 6.151 3.109 1.00 0.00 O ATOM 1030 CB LEU A 74 -3.974 4.753 2.792 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.404 3.864 1.694 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -2.425 2.874 2.333 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -4.374 3.013 0.871 1.00 0.00 C ATOM 0 H LEU A 74 -3.021 6.704 1.617 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.452 5.241 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.178 5.236 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.563 4.172 3.501 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.975 4.583 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.006 2.228 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.621 3.423 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.951 2.266 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.816 2.438 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.911 2.332 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.087 3.663 0.363 1.00 0.00 H new ATOM 1045 N GLY A 75 -5.354 7.682 3.452 1.00 0.00 N ATOM 1046 CA GLY A 75 -5.989 8.486 4.486 1.00 0.00 C ATOM 1047 C GLY A 75 -6.005 7.792 5.847 1.00 0.00 C ATOM 1048 O GLY A 75 -6.367 8.502 6.775 1.00 0.00 O ATOM 0 H GLY A 75 -4.523 8.130 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.464 9.437 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.012 8.713 4.187 1.00 0.00 H new ATOM 1052 N ILE A 76 -5.827 6.467 5.927 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.113 5.688 7.111 1.00 0.00 C ATOM 1054 C ILE A 76 -4.872 5.050 7.729 1.00 0.00 C ATOM 1055 O ILE A 76 -3.789 5.135 7.155 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.952 4.494 6.710 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -6.349 3.540 5.669 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.326 4.956 6.195 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -7.093 2.207 5.673 1.00 0.00 C ATOM 0 H ILE A 76 -5.473 5.908 5.150 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.584 6.377 7.812 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.019 3.917 7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.404 3.991 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.294 3.375 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.919 4.087 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.843 5.506 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.191 5.603 5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.653 1.542 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.015 1.750 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.143 2.376 5.433 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.910 4.559 8.972 1.00 0.00 N ATOM 1072 CA LYS A 77 -3.938 3.867 9.804 1.00 0.00 C ATOM 1073 C LYS A 77 -4.554 3.442 11.126 1.00 0.00 C ATOM 1074 O LYS A 77 -5.584 4.024 11.468 1.00 0.00 O ATOM 1075 CB LYS A 77 -2.736 4.758 10.081 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.968 6.229 10.391 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.731 6.987 10.874 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.013 8.484 11.045 1.00 0.00 C ATOM 1079 NZ LYS A 77 -2.357 9.163 9.790 1.00 0.00 N ATOM 0 H LYS A 77 -5.778 4.662 9.498 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.616 2.980 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.192 4.326 10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.078 4.704 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.350 6.719 9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.744 6.307 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.396 6.569 11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.918 6.849 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.831 8.613 11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.136 8.963 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.319 10.193 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.679 8.889 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.317 8.889 9.499 1.00 0.00 H new ATOM 1093 N LEU A 78 -3.931 2.630 11.976 1.00 0.00 N ATOM 1094 CA LEU A 78 -4.094 2.526 13.416 1.00 0.00 C ATOM 1095 C LEU A 78 -2.745 2.409 14.099 1.00 0.00 C ATOM 1096 O LEU A 78 -1.774 1.826 13.613 1.00 0.00 O ATOM 1097 CB LEU A 78 -5.061 1.419 13.856 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.512 1.786 13.631 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -7.475 0.620 13.912 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -6.891 2.868 14.638 1.00 0.00 C ATOM 0 H LEU A 78 -3.234 1.967 11.637 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.568 3.453 13.740 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.833 0.505 13.308 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.905 1.205 14.913 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.601 2.092 12.589 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.500 0.944 13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.238 -0.215 13.252 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.370 0.303 14.950 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.934 3.149 14.495 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.753 2.487 15.650 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.256 3.742 14.490 1.00 0.00 H new ATOM 1112 N VAL A 79 -2.543 3.065 15.242 1.00 0.00 N ATOM 1113 CA VAL A 79 -3.440 3.288 16.359 1.00 0.00 C ATOM 1114 C VAL A 79 -4.108 4.641 16.303 1.00 0.00 C ATOM 1115 O VAL A 79 -3.850 5.436 15.411 1.00 0.00 O ATOM 1116 CB VAL A 79 -2.751 3.037 17.704 1.00 0.00 C ATOM 1117 CG1 VAL A 79 -2.136 1.654 17.823 1.00 0.00 C ATOM 1118 CG2 VAL A 79 -1.733 4.058 18.188 1.00 0.00 C ATOM 0 H VAL A 79 -1.638 3.501 15.420 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.238 2.551 16.269 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.610 3.141 18.366 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.666 1.548 18.801 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.914 0.899 17.710 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.386 1.521 17.044 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.332 3.744 19.152 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.921 4.133 17.465 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.215 5.030 18.295 1.00 0.00 H new ATOM 1128 N THR A 80 -5.030 4.925 17.225 1.00 0.00 N ATOM 1129 CA THR A 80 -5.731 6.184 17.238 1.00 0.00 C ATOM 1130 C THR A 80 -4.870 7.260 17.884 1.00 0.00 C ATOM 1131 O THR A 80 -3.984 6.977 18.692 1.00 0.00 O ATOM 1132 CB THR A 80 -7.013 6.015 18.052 1.00 0.00 C ATOM 1133 OG1 THR A 80 -6.762 5.708 19.401 1.00 0.00 O ATOM 1134 CG2 THR A 80 -7.892 4.952 17.407 1.00 0.00 C ATOM 0 H THR A 80 -5.301 4.286 17.972 1.00 0.00 H new ATOM 0 HA THR A 80 -5.961 6.483 16.215 1.00 0.00 H new ATOM 0 HB THR A 80 -7.536 6.972 18.048 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.601 5.456 19.841 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.806 4.833 17.989 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.146 5.257 16.392 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.355 4.004 17.378 1.00 0.00 H new ATOM 1142 N PRO A 81 -5.226 8.518 17.592 1.00 0.00 N ATOM 1143 CA PRO A 81 -4.747 9.595 18.428 1.00 0.00 C ATOM 1144 C PRO A 81 -5.033 9.579 19.931 1.00 0.00 C ATOM 1145 O PRO A 81 -4.583 10.442 20.680 1.00 0.00 O ATOM 1146 CB PRO A 81 -5.336 10.866 17.824 1.00 0.00 C ATOM 1147 CG PRO A 81 -5.592 10.514 16.352 1.00 0.00 C ATOM 1148 CD PRO A 81 -6.069 9.075 16.546 1.00 0.00 C ATOM 0 HA PRO A 81 -3.661 9.502 18.419 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.258 11.154 18.329 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.646 11.705 17.917 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.345 11.151 15.889 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.694 10.584 15.738 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.120 9.046 16.834 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.976 8.504 15.622 1.00 0.00 H new ATOM 1156 N LEU A 82 -5.862 8.607 20.317 1.00 0.00 N ATOM 1157 CA LEU A 82 -6.177 8.308 21.693 1.00 0.00 C ATOM 1158 C LEU A 82 -5.345 7.118 22.162 1.00 0.00 C ATOM 1159 O LEU A 82 -5.548 6.759 23.326 1.00 0.00 O ATOM 1160 CB LEU A 82 -7.644 7.922 21.887 1.00 0.00 C ATOM 1161 CG LEU A 82 -8.754 8.888 21.492 1.00 0.00 C ATOM 1162 CD1 LEU A 82 -10.148 8.356 21.825 1.00 0.00 C ATOM 1163 CD2 LEU A 82 -8.448 10.221 22.164 1.00 0.00 C ATOM 0 H LEU A 82 -6.340 7.996 19.654 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.962 9.212 22.262 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.810 6.997 21.334 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.779 7.690 22.943 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.775 9.014 20.410 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.898 9.086 21.521 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.317 7.420 21.293 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.224 8.182 22.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.222 10.944 21.906 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.423 10.086 23.245 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.480 10.587 21.822 1.00 0.00 H new ATOM 1175 N GLU A 83 -4.596 6.446 21.300 1.00 0.00 N ATOM 1176 CA GLU A 83 -3.460 5.708 21.801 1.00 0.00 C ATOM 1177 C GLU A 83 -2.071 6.268 21.482 1.00 0.00 C ATOM 1178 O GLU A 83 -1.101 5.811 22.079 1.00 0.00 O ATOM 1179 CB GLU A 83 -3.588 4.326 21.139 1.00 0.00 C ATOM 1180 CG GLU A 83 -4.514 3.433 21.962 1.00 0.00 C ATOM 1181 CD GLU A 83 -4.564 2.120 21.206 1.00 0.00 C ATOM 1182 OE1 GLU A 83 -5.311 1.994 20.215 1.00 0.00 O ATOM 1183 OE2 GLU A 83 -3.737 1.237 21.535 1.00 0.00 O ATOM 0 H GLU A 83 -4.749 6.399 20.293 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.501 5.732 22.890 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.979 4.434 20.127 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.605 3.863 21.053 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.131 3.292 22.973 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.507 3.873 22.055 1.00 0.00 H new ATOM 1190 N ASN A 84 -1.930 7.238 20.596 1.00 0.00 N ATOM 1191 CA ASN A 84 -0.625 7.734 20.162 1.00 0.00 C ATOM 1192 C ASN A 84 -0.721 9.233 19.940 1.00 0.00 C ATOM 1193 O ASN A 84 -1.781 9.846 19.999 1.00 0.00 O ATOM 1194 CB ASN A 84 -0.137 7.024 18.918 1.00 0.00 C ATOM 1195 CG ASN A 84 -0.515 7.530 17.526 1.00 0.00 C ATOM 1196 OD1 ASN A 84 0.356 7.858 16.733 1.00 0.00 O ATOM 1197 ND2 ASN A 84 -1.822 7.691 17.262 1.00 0.00 N ATOM 0 H ASN A 84 -2.718 7.710 20.152 1.00 0.00 H new ATOM 0 HA ASN A 84 0.109 7.527 20.940 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.952 7.006 18.967 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.477 5.990 18.986 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.117 8.099 16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.520 7.405 17.949 1.00 0.00 H new ATOM 1204 N ASN A 85 0.336 9.972 19.583 1.00 0.00 N ATOM 1205 CA ASN A 85 0.422 11.363 19.188 1.00 0.00 C ATOM 1206 C ASN A 85 -0.383 11.703 17.943 1.00 0.00 C ATOM 1207 O ASN A 85 -0.538 10.870 17.044 1.00 0.00 O ATOM 1208 CB ASN A 85 1.872 11.823 18.996 1.00 0.00 C ATOM 1209 CG ASN A 85 2.076 13.328 18.951 1.00 0.00 C ATOM 1210 OD1 ASN A 85 1.847 13.965 19.980 1.00 0.00 O ATOM 1211 ND2 ASN A 85 2.544 13.894 17.829 1.00 0.00 N ATOM 0 H ASN A 85 1.262 9.544 19.566 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.022 11.906 20.022 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.475 11.415 19.807 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.252 11.394 18.069 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.727 14.897 17.802 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.717 13.321 17.003 1.00 0.00 H new ATOM 1218 N GLU A 86 -0.688 12.983 17.699 1.00 0.00 N ATOM 1219 CA GLU A 86 -1.172 13.601 16.490 1.00 0.00 C ATOM 1220 C GLU A 86 -0.760 15.067 16.410 1.00 0.00 C ATOM 1221 O GLU A 86 -0.420 15.683 17.417 1.00 0.00 O ATOM 1222 CB GLU A 86 -2.688 13.372 16.487 1.00 0.00 C ATOM 1223 CG GLU A 86 -3.557 13.972 15.387 1.00 0.00 C ATOM 1224 CD GLU A 86 -3.271 13.614 13.940 1.00 0.00 C ATOM 1225 OE1 GLU A 86 -2.126 13.295 13.561 1.00 0.00 O ATOM 1226 OE2 GLU A 86 -4.237 13.606 13.141 1.00 0.00 O ATOM 0 H GLU A 86 -0.584 13.678 18.439 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.734 13.163 15.593 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.851 12.294 16.475 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.072 13.741 17.438 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.590 13.693 15.596 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.495 15.057 15.475 1.00 0.00 H new ATOM 1233 N GLU A 87 -0.659 15.545 15.166 1.00 0.00 N ATOM 1234 CA GLU A 87 0.087 16.673 14.632 1.00 0.00 C ATOM 1235 C GLU A 87 -0.872 17.625 13.931 1.00 0.00 C ATOM 1236 O GLU A 87 -1.746 17.202 13.178 1.00 0.00 O ATOM 1237 CB GLU A 87 1.076 16.091 13.637 1.00 0.00 C ATOM 1238 CG GLU A 87 2.120 15.195 14.285 1.00 0.00 C ATOM 1239 CD GLU A 87 3.187 14.649 13.343 1.00 0.00 C ATOM 1240 OE1 GLU A 87 3.491 15.324 12.329 1.00 0.00 O ATOM 1241 OE2 GLU A 87 3.796 13.598 13.628 1.00 0.00 O ATOM 0 H GLU A 87 -1.171 15.082 14.415 1.00 0.00 H new ATOM 0 HA GLU A 87 0.601 17.231 15.414 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.532 15.519 12.886 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.579 16.905 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.613 15.755 15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.611 14.354 14.757 1.00 0.00 H new ATOM 1248 N SER A 88 -0.696 18.948 14.096 1.00 0.00 N ATOM 1249 CA SER A 88 -1.504 19.896 13.376 1.00 0.00 C ATOM 1250 C SER A 88 -0.952 20.198 11.994 1.00 0.00 C ATOM 1251 O SER A 88 -1.724 20.422 11.068 1.00 0.00 O ATOM 1252 CB SER A 88 -1.604 21.170 14.234 1.00 0.00 C ATOM 1253 OG SER A 88 -0.355 21.578 14.729 1.00 0.00 O ATOM 0 H SER A 88 -0.004 19.363 14.720 1.00 0.00 H new ATOM 0 HA SER A 88 -2.494 19.473 13.206 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.036 21.974 13.638 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.282 20.991 15.068 1.00 0.00 H new ATOM 0 HG SER A 88 -0.465 22.390 15.266 1.00 0.00 H new ATOM 1259 N GLU A 89 0.378 20.141 11.805 1.00 0.00 N ATOM 1260 CA GLU A 89 1.128 20.482 10.614 1.00 0.00 C ATOM 1261 C GLU A 89 1.113 19.408 9.541 1.00 0.00 C ATOM 1262 O GLU A 89 1.790 18.391 9.652 1.00 0.00 O ATOM 1263 CB GLU A 89 2.529 20.866 11.079 1.00 0.00 C ATOM 1264 CG GLU A 89 3.267 21.589 9.951 1.00 0.00 C ATOM 1265 CD GLU A 89 4.621 22.091 10.420 1.00 0.00 C ATOM 1266 OE1 GLU A 89 5.614 21.343 10.364 1.00 0.00 O ATOM 1267 OE2 GLU A 89 4.659 23.260 10.873 1.00 0.00 O ATOM 0 H GLU A 89 0.995 19.827 12.554 1.00 0.00 H new ATOM 0 HA GLU A 89 0.654 21.320 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.468 21.509 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.081 19.974 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.399 20.913 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.667 22.428 9.598 1.00 0.00 H new ATOM 1274 N LYS A 90 0.153 19.492 8.606 1.00 0.00 N ATOM 1275 CA LYS A 90 -0.305 18.510 7.651 1.00 0.00 C ATOM 1276 C LYS A 90 -0.694 19.118 6.323 1.00 0.00 C ATOM 1277 O LYS A 90 -1.076 18.348 5.432 1.00 0.00 O ATOM 1278 CB LYS A 90 -1.513 17.820 8.286 1.00 0.00 C ATOM 1279 CG LYS A 90 -1.382 16.305 8.100 1.00 0.00 C ATOM 1280 CD LYS A 90 -2.547 15.521 8.696 1.00 0.00 C ATOM 1281 CE LYS A 90 -2.387 15.261 10.198 1.00 0.00 C ATOM 1282 NZ LYS A 90 -3.375 14.281 10.654 1.00 0.00 N ATOM 0 H LYS A 90 -0.373 20.360 8.502 1.00 0.00 H new ATOM 0 HA LYS A 90 0.503 17.812 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.571 18.065 9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.434 18.177 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.309 16.082 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.453 15.968 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.473 16.070 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.640 14.568 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.381 14.896 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.508 16.193 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.579 14.437 11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.250 14.388 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.998 13.321 10.522 1.00 0.00 H new ATOM 1296 N GLU A 91 -0.554 20.439 6.219 1.00 0.00 N ATOM 1297 CA GLU A 91 -0.765 21.109 4.961 1.00 0.00 C ATOM 1298 C GLU A 91 0.370 20.855 3.960 1.00 0.00 C ATOM 1299 O GLU A 91 0.011 20.864 2.783 1.00 0.00 O ATOM 1300 CB GLU A 91 -1.003 22.597 5.220 1.00 0.00 C ATOM 1301 CG GLU A 91 -1.646 23.166 3.966 1.00 0.00 C ATOM 1302 CD GLU A 91 -2.061 24.612 4.261 1.00 0.00 C ATOM 1303 OE1 GLU A 91 -1.214 25.509 4.096 1.00 0.00 O ATOM 1304 OE2 GLU A 91 -3.186 24.917 4.708 1.00 0.00 O ATOM 0 H GLU A 91 -0.297 21.053 6.992 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.653 20.692 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.651 22.740 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.064 23.106 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.947 23.133 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.513 22.572 3.679 1.00 0.00 H new ATOM 1311 N PHE A 92 1.622 20.887 4.429 1.00 0.00 N ATOM 1312 CA PHE A 92 2.674 20.601 3.482 1.00 0.00 C ATOM 1313 C PHE A 92 2.414 19.236 2.864 1.00 0.00 C ATOM 1314 O PHE A 92 2.077 18.254 3.529 1.00 0.00 O ATOM 1315 CB PHE A 92 4.054 20.597 4.107 1.00 0.00 C ATOM 1316 CG PHE A 92 4.416 21.913 4.749 1.00 0.00 C ATOM 1317 CD1 PHE A 92 4.458 23.107 4.015 1.00 0.00 C ATOM 1318 CD2 PHE A 92 4.621 21.955 6.134 1.00 0.00 C ATOM 1319 CE1 PHE A 92 4.761 24.325 4.636 1.00 0.00 C ATOM 1320 CE2 PHE A 92 5.143 23.108 6.743 1.00 0.00 C ATOM 1321 CZ PHE A 92 5.229 24.269 5.968 1.00 0.00 C ATOM 0 H PHE A 92 1.907 21.093 5.386 1.00 0.00 H new ATOM 0 HA PHE A 92 2.661 21.394 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.105 19.808 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.792 20.357 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.254 23.087 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.376 21.094 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.642 25.266 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.467 23.098 7.773 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.669 25.154 6.403 1.00 0.00 H new ATOM 1331 N ASP A 93 2.601 19.125 1.547 1.00 0.00 N ATOM 1332 CA ASP A 93 2.384 17.894 0.803 1.00 0.00 C ATOM 1333 C ASP A 93 3.589 16.966 0.893 1.00 0.00 C ATOM 1334 O ASP A 93 3.423 15.760 1.132 1.00 0.00 O ATOM 1335 CB ASP A 93 2.298 18.359 -0.651 1.00 0.00 C ATOM 1336 CG ASP A 93 1.583 17.400 -1.604 1.00 0.00 C ATOM 1337 OD1 ASP A 93 0.579 16.796 -1.171 1.00 0.00 O ATOM 1338 OD2 ASP A 93 2.017 17.245 -2.762 1.00 0.00 O ATOM 0 H ASP A 93 2.912 19.902 0.964 1.00 0.00 H new ATOM 0 HA ASP A 93 1.511 17.360 1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.785 19.321 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.309 18.526 -1.022 1.00 0.00 H new ATOM 1343 N ASP A 94 4.783 17.526 0.884 1.00 0.00 N ATOM 1344 CA ASP A 94 6.001 16.754 0.747 1.00 0.00 C ATOM 1345 C ASP A 94 7.041 17.125 1.785 1.00 0.00 C ATOM 1346 O ASP A 94 7.758 16.203 2.180 1.00 0.00 O ATOM 1347 CB ASP A 94 6.523 16.889 -0.686 1.00 0.00 C ATOM 1348 CG ASP A 94 7.759 16.059 -0.990 1.00 0.00 C ATOM 1349 OD1 ASP A 94 7.699 14.814 -0.965 1.00 0.00 O ATOM 1350 OD2 ASP A 94 8.825 16.643 -1.312 1.00 0.00 O ATOM 0 H ASP A 94 4.935 18.531 0.972 1.00 0.00 H new ATOM 0 HA ASP A 94 5.775 15.705 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.730 16.602 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.749 17.938 -0.879 1.00 0.00 H new ATOM 1355 N THR A 95 7.205 18.397 2.188 1.00 0.00 N ATOM 1356 CA THR A 95 8.378 18.985 2.795 1.00 0.00 C ATOM 1357 C THR A 95 8.035 20.378 3.303 1.00 0.00 C ATOM 1358 O THR A 95 7.032 21.008 2.930 1.00 0.00 O ATOM 1359 CB THR A 95 9.606 18.959 1.907 1.00 0.00 C ATOM 1360 OG1 THR A 95 10.699 19.291 2.717 1.00 0.00 O ATOM 1361 CG2 THR A 95 9.534 19.818 0.647 1.00 0.00 C ATOM 0 H THR A 95 6.455 19.080 2.083 1.00 0.00 H new ATOM 0 HA THR A 95 8.664 18.364 3.644 1.00 0.00 H new ATOM 0 HB THR A 95 9.700 17.956 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.518 19.284 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.465 19.723 0.088 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.703 19.484 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.383 20.861 0.926 1.00 0.00 H new ATOM 1369 N GLY A 96 8.839 20.886 4.235 1.00 0.00 N ATOM 1370 CA GLY A 96 8.693 22.118 4.976 1.00 0.00 C ATOM 1371 C GLY A 96 9.063 23.263 4.035 1.00 0.00 C ATOM 1372 O GLY A 96 10.021 23.103 3.283 1.00 0.00 O ATOM 0 H GLY A 96 9.687 20.391 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.670 22.231 5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.340 22.117 5.853 1.00 0.00 H new ATOM 1376 N LEU A 97 8.291 24.343 3.874 1.00 0.00 N ATOM 1377 CA LEU A 97 8.432 25.447 2.954 1.00 0.00 C ATOM 1378 C LEU A 97 8.154 26.763 3.659 1.00 0.00 C ATOM 1379 O LEU A 97 7.256 26.832 4.484 1.00 0.00 O ATOM 1380 CB LEU A 97 7.451 25.353 1.789 1.00 0.00 C ATOM 1381 CG LEU A 97 7.710 24.201 0.818 1.00 0.00 C ATOM 1382 CD1 LEU A 97 6.436 23.662 0.186 1.00 0.00 C ATOM 1383 CD2 LEU A 97 8.621 24.615 -0.326 1.00 0.00 C ATOM 0 H LEU A 97 7.463 24.466 4.457 1.00 0.00 H new ATOM 0 HA LEU A 97 9.455 25.402 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.443 25.251 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.479 26.290 1.233 1.00 0.00 H new ATOM 0 HG LEU A 97 8.178 23.430 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.684 22.846 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.770 23.294 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.940 24.458 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.778 23.766 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.159 25.431 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.580 24.945 0.074 1.00 0.00 H new ATOM 1395 N THR A 98 8.888 27.843 3.387 1.00 0.00 N ATOM 1396 CA THR A 98 8.849 29.171 3.976 1.00 0.00 C ATOM 1397 C THR A 98 8.966 30.246 2.906 1.00 0.00 C ATOM 1398 O THR A 98 9.909 30.200 2.118 1.00 0.00 O ATOM 1399 CB THR A 98 9.919 29.365 5.044 1.00 0.00 C ATOM 1400 OG1 THR A 98 10.166 28.172 5.762 1.00 0.00 O ATOM 1401 CG2 THR A 98 9.654 30.433 6.097 1.00 0.00 C ATOM 0 H THR A 98 9.606 27.796 2.664 1.00 0.00 H new ATOM 0 HA THR A 98 7.880 29.267 4.466 1.00 0.00 H new ATOM 0 HB THR A 98 10.767 29.691 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.858 28.334 6.437 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.490 30.470 6.796 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.543 31.403 5.612 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.739 30.192 6.638 1.00 0.00 H new ATOM 1409 N LEU A 99 8.089 31.263 2.846 1.00 0.00 N ATOM 1410 CA LEU A 99 8.037 32.276 1.814 1.00 0.00 C ATOM 1411 C LEU A 99 7.362 33.585 2.176 1.00 0.00 C ATOM 1412 O LEU A 99 7.899 34.677 1.963 1.00 0.00 O ATOM 1413 CB LEU A 99 7.409 31.603 0.595 1.00 0.00 C ATOM 1414 CG LEU A 99 7.800 32.257 -0.710 1.00 0.00 C ATOM 1415 CD1 LEU A 99 9.078 31.682 -1.331 1.00 0.00 C ATOM 1416 CD2 LEU A 99 6.714 32.100 -1.774 1.00 0.00 C ATOM 0 H LEU A 99 7.369 31.394 3.556 1.00 0.00 H new ATOM 0 HA LEU A 99 9.054 32.620 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.707 30.555 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.324 31.624 0.694 1.00 0.00 H new ATOM 0 HG LEU A 99 7.955 33.301 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.294 32.201 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.910 31.816 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.939 30.619 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.035 32.584 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.539 31.041 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.792 32.563 -1.423 1.00 0.00 H new ATOM 1428 N GLY A 100 6.132 33.501 2.689 1.00 0.00 N ATOM 1429 CA GLY A 100 5.290 34.586 3.165 1.00 0.00 C ATOM 1430 C GLY A 100 4.679 35.336 1.993 1.00 0.00 C ATOM 1431 O GLY A 100 3.748 36.082 2.240 1.00 0.00 O ATOM 0 H GLY A 100 5.668 32.598 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.500 34.189 3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.879 35.270 3.776 1.00 0.00 H new ATOM 1435 N ASP A 101 4.986 35.045 0.717 1.00 0.00 N ATOM 1436 CA ASP A 101 4.768 35.874 -0.458 1.00 0.00 C ATOM 1437 C ASP A 101 3.472 35.540 -1.184 1.00 0.00 C ATOM 1438 O ASP A 101 3.545 35.283 -2.388 1.00 0.00 O ATOM 1439 CB ASP A 101 5.990 35.849 -1.359 1.00 0.00 C ATOM 1440 CG ASP A 101 5.999 37.112 -2.228 1.00 0.00 C ATOM 1441 OD1 ASP A 101 5.357 38.124 -1.866 1.00 0.00 O ATOM 1442 OD2 ASP A 101 6.618 37.121 -3.318 1.00 0.00 O ATOM 0 H ASP A 101 5.425 34.157 0.473 1.00 0.00 H new ATOM 0 HA ASP A 101 4.636 36.903 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.899 35.799 -0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.975 34.959 -1.989 1.00 0.00 H new ATOM 1447 N VAL A 102 2.395 35.648 -0.410 1.00 0.00 N ATOM 1448 CA VAL A 102 1.128 34.963 -0.593 1.00 0.00 C ATOM 1449 C VAL A 102 -0.099 35.812 -0.323 1.00 0.00 C ATOM 1450 O VAL A 102 0.120 36.864 0.290 1.00 0.00 O ATOM 1451 CB VAL A 102 0.913 33.840 0.425 1.00 0.00 C ATOM 1452 CG1 VAL A 102 1.328 32.465 -0.053 1.00 0.00 C ATOM 1453 CG2 VAL A 102 1.615 33.969 1.779 1.00 0.00 C ATOM 0 H VAL A 102 2.388 36.254 0.410 1.00 0.00 H new ATOM 0 HA VAL A 102 1.211 34.643 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.165 33.952 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.139 31.734 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.754 32.200 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.390 32.470 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.374 33.105 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.693 34.017 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.279 34.878 2.278 1.00 0.00 H new ATOM 1463 N VAL A 103 -1.371 35.664 -0.708 1.00 0.00 N ATOM 1464 CA VAL A 103 -1.808 34.477 -1.418 1.00 0.00 C ATOM 1465 C VAL A 103 -1.083 34.284 -2.741 1.00 0.00 C ATOM 1466 O VAL A 103 -0.751 35.170 -3.540 1.00 0.00 O ATOM 1467 CB VAL A 103 -3.327 34.451 -1.605 1.00 0.00 C ATOM 1468 CG1 VAL A 103 -3.986 35.502 -2.498 1.00 0.00 C ATOM 1469 CG2 VAL A 103 -4.009 33.140 -1.945 1.00 0.00 C ATOM 0 H VAL A 103 -2.105 36.351 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.539 33.630 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.497 34.695 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.063 35.338 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.778 36.497 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.587 35.422 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.082 33.303 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.614 32.758 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.822 32.416 -1.152 1.00 0.00 H new ATOM 1479 N ASN A 104 -1.001 33.007 -3.115 1.00 0.00 N ATOM 1480 CA ASN A 104 -0.401 32.595 -4.367 1.00 0.00 C ATOM 1481 C ASN A 104 -1.202 31.331 -4.691 1.00 0.00 C ATOM 1482 O ASN A 104 -0.932 30.249 -4.163 1.00 0.00 O ATOM 1483 CB ASN A 104 1.110 32.455 -4.202 1.00 0.00 C ATOM 1484 CG ASN A 104 1.748 31.790 -5.404 1.00 0.00 C ATOM 1485 OD1 ASN A 104 1.587 32.319 -6.505 1.00 0.00 O ATOM 1486 ND2 ASN A 104 2.457 30.710 -5.085 1.00 0.00 N ATOM 0 H ASN A 104 -1.352 32.233 -2.551 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.459 33.291 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.552 33.440 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 104 1.325 31.871 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.964 30.201 -5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.494 30.392 -4.117 1.00 0.00 H new ATOM 1493 N ILE A 105 -2.094 31.447 -5.672 1.00 0.00 N ATOM 1494 CA ILE A 105 -2.852 30.300 -6.108 1.00 0.00 C ATOM 1495 C ILE A 105 -2.118 29.544 -7.217 1.00 0.00 C ATOM 1496 O ILE A 105 -1.054 29.918 -7.688 1.00 0.00 O ATOM 1497 CB ILE A 105 -4.257 30.757 -6.529 1.00 0.00 C ATOM 1498 CG1 ILE A 105 -4.235 31.670 -7.758 1.00 0.00 C ATOM 1499 CG2 ILE A 105 -4.979 31.542 -5.447 1.00 0.00 C ATOM 1500 CD1 ILE A 105 -5.590 31.876 -8.430 1.00 0.00 C ATOM 0 H ILE A 105 -2.301 32.314 -6.168 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.959 29.593 -5.285 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.777 29.822 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.840 32.642 -7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.543 31.254 -8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.965 31.835 -5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.087 30.921 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.403 32.434 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.473 32.536 -9.289 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.982 30.914 -8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.284 32.325 -7.719 1.00 0.00 H new ATOM 1512 N LYS A 106 -2.770 28.489 -7.704 1.00 0.00 N ATOM 1513 CA LYS A 106 -2.113 27.547 -8.572 1.00 0.00 C ATOM 1514 C LYS A 106 -1.877 28.072 -9.989 1.00 0.00 C ATOM 1515 O LYS A 106 -0.993 27.550 -10.664 1.00 0.00 O ATOM 1516 CB LYS A 106 -2.906 26.253 -8.618 1.00 0.00 C ATOM 1517 CG LYS A 106 -2.092 25.014 -8.986 1.00 0.00 C ATOM 1518 CD LYS A 106 -2.805 23.683 -9.195 1.00 0.00 C ATOM 1519 CE LYS A 106 -1.821 22.502 -9.276 1.00 0.00 C ATOM 1520 NZ LYS A 106 -0.758 22.577 -10.293 1.00 0.00 N ATOM 0 H LYS A 106 -3.748 28.276 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 106 -1.124 27.373 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.367 26.091 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.716 26.365 -9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -1.548 25.241 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.349 24.867 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -3.505 23.515 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.392 23.728 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.347 22.390 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.397 21.595 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.167 21.723 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.186 22.645 -11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.169 23.416 -10.118 1.00 0.00 H new ATOM 1534 N GLU A 107 -2.751 28.997 -10.401 1.00 0.00 N ATOM 1535 CA GLU A 107 -2.708 29.792 -11.606 1.00 0.00 C ATOM 1536 C GLU A 107 -1.849 31.046 -11.518 1.00 0.00 C ATOM 1537 O GLU A 107 -1.376 31.590 -12.510 1.00 0.00 O ATOM 1538 CB GLU A 107 -4.133 30.190 -11.936 1.00 0.00 C ATOM 1539 CG GLU A 107 -5.056 29.090 -12.484 1.00 0.00 C ATOM 1540 CD GLU A 107 -4.648 28.797 -13.922 1.00 0.00 C ATOM 1541 OE1 GLU A 107 -4.902 29.712 -14.745 1.00 0.00 O ATOM 1542 OE2 GLU A 107 -4.172 27.667 -14.158 1.00 0.00 O ATOM 0 H GLU A 107 -3.574 29.218 -9.841 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.244 29.179 -12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.589 30.596 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.098 30.998 -12.667 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.976 28.189 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.097 29.412 -12.442 1.00 0.00 H new ATOM 1549 N GLY A 108 -1.647 31.666 -10.347 1.00 0.00 N ATOM 1550 CA GLY A 108 -0.969 32.932 -10.208 1.00 0.00 C ATOM 1551 C GLY A 108 -0.953 33.597 -8.830 1.00 0.00 C ATOM 1552 O GLY A 108 -1.373 32.943 -7.882 1.00 0.00 O ATOM 0 H GLY A 108 -1.964 31.280 -9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.065 32.792 -10.522 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.423 33.632 -10.910 1.00 0.00 H new ATOM 1556 N LYS A 109 -0.426 34.819 -8.707 1.00 0.00 N ATOM 1557 CA LYS A 109 -0.014 35.332 -7.422 1.00 0.00 C ATOM 1558 C LYS A 109 -1.134 36.161 -6.819 1.00 0.00 C ATOM 1559 O LYS A 109 -1.000 36.943 -5.883 1.00 0.00 O ATOM 1560 CB LYS A 109 1.285 36.086 -7.683 1.00 0.00 C ATOM 1561 CG LYS A 109 2.038 36.401 -6.390 1.00 0.00 C ATOM 1562 CD LYS A 109 3.264 37.263 -6.660 1.00 0.00 C ATOM 1563 CE LYS A 109 3.872 37.626 -5.297 1.00 0.00 C ATOM 1564 NZ LYS A 109 5.220 38.208 -5.324 1.00 0.00 N ATOM 0 H LYS A 109 -0.280 35.460 -9.487 1.00 0.00 H new ATOM 0 HA LYS A 109 0.178 34.562 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.923 35.492 -8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.065 37.015 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.374 36.917 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.343 35.472 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.987 36.723 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.988 38.163 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.204 38.330 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.899 36.726 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.878 37.585 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.535 38.310 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.204 39.142 -4.868 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.376 35.956 -7.297 1.00 0.00 N ATOM 1579 CA LYS A 110 -3.646 36.520 -6.854 1.00 0.00 C ATOM 1580 C LYS A 110 -4.889 35.918 -7.499 1.00 0.00 C ATOM 1581 O LYS A 110 -4.849 35.372 -8.600 1.00 0.00 O ATOM 1582 CB LYS A 110 -3.644 38.043 -6.931 1.00 0.00 C ATOM 1583 CG LYS A 110 -3.500 38.713 -8.294 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.208 40.199 -8.162 1.00 0.00 C ATOM 1585 CE LYS A 110 -4.199 40.976 -7.296 1.00 0.00 C ATOM 1586 NZ LYS A 110 -3.875 42.412 -7.241 1.00 0.00 N ATOM 0 H LYS A 110 -2.519 35.324 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.722 36.228 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.575 38.396 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.832 38.404 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.697 38.233 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.416 38.572 -8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.209 40.322 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.194 40.641 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.206 40.846 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.198 40.565 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.571 42.902 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.924 42.538 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.901 42.811 -8.201 1.00 0.00 H new ATOM 1600 N LEU A 111 -6.012 36.112 -6.796 1.00 0.00 N ATOM 1601 CA LEU A 111 -7.377 36.150 -7.234 1.00 0.00 C ATOM 1602 C LEU A 111 -7.654 37.354 -8.119 1.00 0.00 C ATOM 1603 O LEU A 111 -7.169 38.425 -7.761 1.00 0.00 O ATOM 1604 CB LEU A 111 -8.391 35.941 -6.113 1.00 0.00 C ATOM 1605 CG LEU A 111 -8.608 34.531 -5.577 1.00 0.00 C ATOM 1606 CD1 LEU A 111 -7.377 33.911 -4.928 1.00 0.00 C ATOM 1607 CD2 LEU A 111 -9.816 34.309 -4.678 1.00 0.00 C ATOM 0 H LEU A 111 -5.957 36.262 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.523 35.277 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.092 36.571 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.353 36.313 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.828 34.009 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.618 32.909 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.570 33.853 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.060 34.527 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.852 33.265 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.736 34.947 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.726 34.557 -5.224 1.00 0.00 H new ATOM 1619 N GLU A 112 -8.429 37.200 -9.202 1.00 0.00 N ATOM 1620 CA GLU A 112 -8.584 38.103 -10.321 1.00 0.00 C ATOM 1621 C GLU A 112 -10.011 38.227 -10.822 1.00 0.00 C ATOM 1622 O GLU A 112 -10.698 39.125 -10.324 1.00 0.00 O ATOM 1623 CB GLU A 112 -7.481 37.858 -11.360 1.00 0.00 C ATOM 1624 CG GLU A 112 -6.070 38.136 -10.856 1.00 0.00 C ATOM 1625 CD GLU A 112 -5.153 38.613 -11.965 1.00 0.00 C ATOM 1626 OE1 GLU A 112 -4.940 37.915 -12.984 1.00 0.00 O ATOM 1627 OE2 GLU A 112 -4.551 39.689 -11.760 1.00 0.00 O ATOM 0 H GLU A 112 -9.006 36.367 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.417 39.125 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.537 36.822 -11.694 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.673 38.485 -12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.108 38.889 -10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.659 37.230 -10.411 1.00 0.00 H new ATOM 1634 N HIS A 113 -10.461 37.443 -11.808 1.00 0.00 N ATOM 1635 CA HIS A 113 -11.852 37.377 -12.205 1.00 0.00 C ATOM 1636 C HIS A 113 -12.704 36.370 -11.447 1.00 0.00 C ATOM 1637 O HIS A 113 -13.855 36.069 -11.765 1.00 0.00 O ATOM 1638 CB HIS A 113 -11.909 37.126 -13.709 1.00 0.00 C ATOM 1639 CG HIS A 113 -11.784 35.653 -14.014 1.00 0.00 C ATOM 1640 ND1 HIS A 113 -10.598 34.945 -14.114 1.00 0.00 N ATOM 1641 CD2 HIS A 113 -12.785 34.971 -14.661 1.00 0.00 C ATOM 1642 CE1 HIS A 113 -10.897 33.859 -14.849 1.00 0.00 C ATOM 1643 NE2 HIS A 113 -12.189 33.862 -15.216 1.00 0.00 N ATOM 0 H HIS A 113 -9.853 36.832 -12.353 1.00 0.00 H new ATOM 0 HA HIS A 113 -12.298 38.336 -11.943 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.849 37.506 -14.110 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -11.107 37.673 -14.204 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.827 35.248 -14.722 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -10.190 33.085 -15.110 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -12.648 33.165 -15.803 1.00 0.00 H new ATOM 1651 N HIS A 114 -12.032 35.813 -10.435 1.00 0.00 N ATOM 1652 CA HIS A 114 -12.599 34.922 -9.433 1.00 0.00 C ATOM 1653 C HIS A 114 -13.935 35.372 -8.859 1.00 0.00 C ATOM 1654 O HIS A 114 -14.886 34.561 -8.815 1.00 0.00 O ATOM 1655 CB HIS A 114 -11.479 34.634 -8.425 1.00 0.00 C ATOM 1656 CG HIS A 114 -10.208 33.986 -8.901 1.00 0.00 C ATOM 1657 ND1 HIS A 114 -9.236 34.513 -9.746 1.00 0.00 N ATOM 1658 CD2 HIS A 114 -9.906 32.668 -8.690 1.00 0.00 C ATOM 1659 CE1 HIS A 114 -8.329 33.536 -9.902 1.00 0.00 C ATOM 1660 NE2 HIS A 114 -8.732 32.377 -9.350 1.00 0.00 N ATOM 0 H HIS A 114 -11.036 35.981 -10.291 1.00 0.00 H new ATOM 0 HA HIS A 114 -12.915 33.982 -9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.209 35.580 -7.957 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.897 34.000 -7.643 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.490 31.973 -8.105 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -7.385 33.665 -10.411 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -8.266 31.472 -9.408 1.00 0.00 H new TER 1668 HIS A 114