USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 971 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 39 CYS SG : rot 180:sc= -2.87! USER MOD Set 1.2: A 42 GLN : amide:sc= -1.09 X(o=-4,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0525 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.972 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-0.23) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.0715 K(o=0.072,f=-5.9!) USER MOD Single : A 30 ASN : amide:sc= -0.0926 K(o=-0.093,f=-1.3!) USER MOD Single : A 31 MET CE :methyl -117:sc= -5.55! (180deg=-14.3!) USER MOD Single : A 34 TYR OH : rot -34:sc= 0.261 USER MOD Single : A 36 GLN : amide:sc= -1.31 K(o=-1.3,f=-8.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.15 X(o=0.15,f=-0.27) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -110:sc= -1.41 USER MOD Single : A 47 ASN : amide:sc= -0.761 K(o=-0.76,f=-1.6) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -9.84! C(o=-9.8!,f=-5.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -52:sc= 0.915 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.869 USER MOD Single : A 71 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 32:sc= 0.0844 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.174! C(o=0.17!,f=-7.9!) USER MOD Single : A 114 LYS NZ :NH3+ 148:sc= 0.152 (180deg=0.00295) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -139:sc= 0.455 (180deg=0.0342) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 37:sc= 0.685 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.491 22.273 -15.353 1.00 0.00 N ATOM 2 CA GLY A 1 -20.347 21.119 -14.482 1.00 0.00 C ATOM 3 C GLY A 1 -19.438 21.439 -13.294 1.00 0.00 C ATOM 4 O GLY A 1 -19.315 22.597 -12.896 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.500 22.440 -15.544 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.083 23.110 -14.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.994 22.096 -16.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.327 20.807 -14.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.934 20.283 -15.046 1.00 0.00 H new ATOM 8 N SER A 2 -18.825 20.393 -12.761 1.00 0.00 N ATOM 9 CA SER A 2 -17.931 20.548 -11.626 1.00 0.00 C ATOM 10 C SER A 2 -16.752 21.446 -12.007 1.00 0.00 C ATOM 11 O SER A 2 -16.006 21.136 -12.934 1.00 0.00 O ATOM 12 CB SER A 2 -17.426 19.190 -11.133 1.00 0.00 C ATOM 13 OG SER A 2 -17.226 19.175 -9.722 1.00 0.00 O ATOM 0 H SER A 2 -18.930 19.435 -13.094 1.00 0.00 H new ATOM 0 HA SER A 2 -18.488 21.015 -10.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.143 18.416 -11.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.489 18.948 -11.635 1.00 0.00 H new ATOM 0 HG SER A 2 -16.905 18.291 -9.446 1.00 0.00 H new ATOM 19 N SER A 3 -16.622 22.541 -11.272 1.00 0.00 N ATOM 20 CA SER A 3 -15.547 23.486 -11.521 1.00 0.00 C ATOM 21 C SER A 3 -15.101 24.129 -10.207 1.00 0.00 C ATOM 22 O SER A 3 -15.562 25.214 -9.854 1.00 0.00 O ATOM 23 CB SER A 3 -15.980 24.562 -12.519 1.00 0.00 C ATOM 24 OG SER A 3 -17.054 25.354 -12.017 1.00 0.00 O ATOM 0 H SER A 3 -17.243 22.795 -10.504 1.00 0.00 H new ATOM 0 HA SER A 3 -14.708 22.943 -11.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.131 25.206 -12.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.284 24.089 -13.453 1.00 0.00 H new ATOM 0 HG SER A 3 -16.880 25.585 -11.081 1.00 0.00 H new ATOM 30 N GLY A 4 -14.208 23.433 -9.518 1.00 0.00 N ATOM 31 CA GLY A 4 -13.694 23.923 -8.250 1.00 0.00 C ATOM 32 C GLY A 4 -12.888 22.840 -7.530 1.00 0.00 C ATOM 33 O GLY A 4 -11.683 22.715 -7.741 1.00 0.00 O ATOM 0 H GLY A 4 -13.828 22.534 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.065 24.796 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.522 24.246 -7.618 1.00 0.00 H new ATOM 37 N SER A 5 -13.586 22.085 -6.694 1.00 0.00 N ATOM 38 CA SER A 5 -12.951 21.017 -5.942 1.00 0.00 C ATOM 39 C SER A 5 -11.768 21.571 -5.144 1.00 0.00 C ATOM 40 O SER A 5 -10.706 21.837 -5.705 1.00 0.00 O ATOM 41 CB SER A 5 -12.486 19.892 -6.868 1.00 0.00 C ATOM 42 OG SER A 5 -11.606 18.986 -6.208 1.00 0.00 O ATOM 0 H SER A 5 -14.586 22.192 -6.521 1.00 0.00 H new ATOM 0 HA SER A 5 -13.685 20.602 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.354 19.348 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.982 20.321 -7.734 1.00 0.00 H new ATOM 0 HG SER A 5 -11.333 18.282 -6.832 1.00 0.00 H new ATOM 48 N SER A 6 -11.992 21.728 -3.848 1.00 0.00 N ATOM 49 CA SER A 6 -10.958 22.246 -2.968 1.00 0.00 C ATOM 50 C SER A 6 -10.083 21.099 -2.457 1.00 0.00 C ATOM 51 O SER A 6 -10.594 20.047 -2.075 1.00 0.00 O ATOM 52 CB SER A 6 -11.568 23.011 -1.792 1.00 0.00 C ATOM 53 OG SER A 6 -11.113 24.361 -1.740 1.00 0.00 O ATOM 0 H SER A 6 -12.874 21.506 -3.386 1.00 0.00 H new ATOM 0 HA SER A 6 -10.341 22.940 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.655 22.998 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.313 22.506 -0.860 1.00 0.00 H new ATOM 0 HG SER A 6 -11.526 24.816 -0.977 1.00 0.00 H new ATOM 59 N GLY A 7 -8.781 21.341 -2.468 1.00 0.00 N ATOM 60 CA GLY A 7 -7.830 20.341 -2.011 1.00 0.00 C ATOM 61 C GLY A 7 -6.669 20.198 -2.996 1.00 0.00 C ATOM 62 O GLY A 7 -6.567 20.960 -3.957 1.00 0.00 O ATOM 0 H GLY A 7 -8.362 22.215 -2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.447 20.620 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.334 19.381 -1.895 1.00 0.00 H new ATOM 66 N PRO A 8 -5.799 19.190 -2.717 1.00 0.00 N ATOM 67 CA PRO A 8 -4.649 18.937 -3.568 1.00 0.00 C ATOM 68 C PRO A 8 -5.070 18.259 -4.873 1.00 0.00 C ATOM 69 O PRO A 8 -6.250 17.975 -5.077 1.00 0.00 O ATOM 70 CB PRO A 8 -3.718 18.079 -2.727 1.00 0.00 C ATOM 71 CG PRO A 8 -4.578 17.498 -1.616 1.00 0.00 C ATOM 72 CD PRO A 8 -5.888 18.268 -1.589 1.00 0.00 C ATOM 0 HA PRO A 8 -4.150 19.853 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.267 17.288 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.901 18.674 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.762 16.438 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.068 17.579 -0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.743 17.599 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.013 18.804 -0.648 1.00 0.00 H new ATOM 80 N HIS A 9 -4.083 18.018 -5.724 1.00 0.00 N ATOM 81 CA HIS A 9 -4.337 17.379 -7.003 1.00 0.00 C ATOM 82 C HIS A 9 -3.027 17.253 -7.783 1.00 0.00 C ATOM 83 O HIS A 9 -2.380 18.255 -8.084 1.00 0.00 O ATOM 84 CB HIS A 9 -5.419 18.130 -7.781 1.00 0.00 C ATOM 85 CG HIS A 9 -5.287 19.633 -7.722 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.237 20.447 -7.129 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.307 20.461 -8.185 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.837 21.705 -7.238 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.641 21.712 -7.893 1.00 0.00 N ATOM 0 H HIS A 9 -3.106 18.254 -5.552 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.721 16.372 -6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.388 17.814 -8.824 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.396 17.846 -7.390 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.411 20.151 -8.702 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.365 22.573 -6.872 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.093 22.542 -8.121 1.00 0.00 H new ATOM 97 N GLY A 10 -2.674 16.012 -8.087 1.00 0.00 N ATOM 98 CA GLY A 10 -1.452 15.742 -8.826 1.00 0.00 C ATOM 99 C GLY A 10 -1.234 14.237 -8.993 1.00 0.00 C ATOM 100 O GLY A 10 -2.188 13.487 -9.195 1.00 0.00 O ATOM 0 H GLY A 10 -3.212 15.183 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.503 16.217 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.602 16.180 -8.303 1.00 0.00 H new ATOM 104 N THR A 11 0.027 13.840 -8.902 1.00 0.00 N ATOM 105 CA THR A 11 0.382 12.438 -9.041 1.00 0.00 C ATOM 106 C THR A 11 0.864 11.875 -7.703 1.00 0.00 C ATOM 107 O THR A 11 1.516 12.575 -6.929 1.00 0.00 O ATOM 108 CB THR A 11 1.421 12.322 -10.158 1.00 0.00 C ATOM 109 OG1 THR A 11 0.718 12.727 -11.330 1.00 0.00 O ATOM 110 CG2 THR A 11 1.814 10.871 -10.444 1.00 0.00 C ATOM 0 H THR A 11 0.815 14.465 -8.734 1.00 0.00 H new ATOM 0 HA THR A 11 -0.484 11.837 -9.318 1.00 0.00 H new ATOM 0 HB THR A 11 2.309 12.893 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.319 12.683 -12.103 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.553 10.845 -11.244 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.238 10.425 -9.544 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.931 10.308 -10.747 1.00 0.00 H new ATOM 118 N LEU A 12 0.524 10.615 -7.470 1.00 0.00 N ATOM 119 CA LEU A 12 0.914 9.950 -6.239 1.00 0.00 C ATOM 120 C LEU A 12 1.981 8.899 -6.548 1.00 0.00 C ATOM 121 O LEU A 12 1.968 8.291 -7.617 1.00 0.00 O ATOM 122 CB LEU A 12 -0.315 9.386 -5.522 1.00 0.00 C ATOM 123 CG LEU A 12 -0.042 8.313 -4.466 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.378 6.995 -5.120 1.00 0.00 C ATOM 125 CD2 LEU A 12 0.986 8.800 -3.443 1.00 0.00 C ATOM 0 H LEU A 12 -0.017 10.038 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 12 1.360 10.663 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.843 10.211 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.988 8.968 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.968 8.122 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.566 6.249 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.418 6.645 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.286 7.151 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.162 8.019 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.921 9.036 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.608 9.693 -2.944 1.00 0.00 H new ATOM 137 N GLU A 13 2.881 8.717 -5.592 1.00 0.00 N ATOM 138 CA GLU A 13 3.954 7.750 -5.749 1.00 0.00 C ATOM 139 C GLU A 13 4.014 6.822 -4.533 1.00 0.00 C ATOM 140 O GLU A 13 4.339 7.258 -3.430 1.00 0.00 O ATOM 141 CB GLU A 13 5.296 8.451 -5.970 1.00 0.00 C ATOM 142 CG GLU A 13 6.239 7.579 -6.802 1.00 0.00 C ATOM 143 CD GLU A 13 7.681 7.705 -6.307 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.297 8.749 -6.611 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.135 6.753 -5.635 1.00 0.00 O ATOM 0 H GLU A 13 2.889 9.223 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 13 3.747 7.147 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.134 9.403 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.756 8.675 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.921 6.538 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.183 7.874 -7.850 1.00 0.00 H new ATOM 152 N VAL A 14 3.694 5.559 -4.777 1.00 0.00 N ATOM 153 CA VAL A 14 3.708 4.566 -3.716 1.00 0.00 C ATOM 154 C VAL A 14 4.939 3.672 -3.876 1.00 0.00 C ATOM 155 O VAL A 14 5.034 2.906 -4.834 1.00 0.00 O ATOM 156 CB VAL A 14 2.394 3.781 -3.718 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.500 2.533 -2.839 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.226 4.665 -3.276 1.00 0.00 C ATOM 0 H VAL A 14 3.424 5.201 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 14 3.782 5.049 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 14 2.200 3.456 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.553 1.993 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.293 1.888 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.729 2.828 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.305 4.083 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.411 5.034 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.130 5.509 -3.959 1.00 0.00 H new ATOM 168 N VAL A 15 5.850 3.799 -2.923 1.00 0.00 N ATOM 169 CA VAL A 15 7.072 3.012 -2.946 1.00 0.00 C ATOM 170 C VAL A 15 6.902 1.788 -2.044 1.00 0.00 C ATOM 171 O VAL A 15 7.213 1.841 -0.855 1.00 0.00 O ATOM 172 CB VAL A 15 8.265 3.885 -2.552 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.550 3.058 -2.484 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.422 5.065 -3.512 1.00 0.00 C ATOM 0 H VAL A 15 5.767 4.435 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 15 7.273 2.648 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 15 8.072 4.287 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.383 3.702 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.435 2.268 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.749 2.614 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.277 5.669 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.581 4.692 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.520 5.676 -3.488 1.00 0.00 H new ATOM 184 N LEU A 16 6.408 0.714 -2.643 1.00 0.00 N ATOM 185 CA LEU A 16 6.193 -0.521 -1.908 1.00 0.00 C ATOM 186 C LEU A 16 7.543 -1.085 -1.462 1.00 0.00 C ATOM 187 O LEU A 16 8.284 -1.644 -2.269 1.00 0.00 O ATOM 188 CB LEU A 16 5.362 -1.500 -2.739 1.00 0.00 C ATOM 189 CG LEU A 16 4.971 -2.806 -2.043 1.00 0.00 C ATOM 190 CD1 LEU A 16 5.024 -3.984 -3.019 1.00 0.00 C ATOM 191 CD2 LEU A 16 5.838 -3.048 -0.806 1.00 0.00 C ATOM 0 H LEU A 16 6.150 0.674 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 16 5.612 -0.332 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.451 -0.994 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.921 -1.746 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 16 3.940 -2.716 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.742 -4.900 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.332 -3.806 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.036 -4.086 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.540 -3.982 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.885 -3.110 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.707 -2.225 -0.103 1.00 0.00 H new ATOM 203 N VAL A 17 7.823 -0.919 -0.177 1.00 0.00 N ATOM 204 CA VAL A 17 9.070 -1.405 0.386 1.00 0.00 C ATOM 205 C VAL A 17 8.910 -2.875 0.778 1.00 0.00 C ATOM 206 O VAL A 17 9.221 -3.768 -0.009 1.00 0.00 O ATOM 207 CB VAL A 17 9.496 -0.517 1.558 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.605 -1.183 2.375 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.931 0.866 1.069 1.00 0.00 C ATOM 0 H VAL A 17 7.207 -0.454 0.490 1.00 0.00 H new ATOM 0 HA VAL A 17 9.869 -1.351 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 17 8.632 -0.385 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.889 -0.532 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.246 -2.134 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.471 -1.359 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.228 1.476 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.774 0.762 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.101 1.346 0.551 1.00 0.00 H new ATOM 219 N SER A 18 8.425 -3.081 1.993 1.00 0.00 N ATOM 220 CA SER A 18 8.219 -4.428 2.498 1.00 0.00 C ATOM 221 C SER A 18 7.159 -4.417 3.601 1.00 0.00 C ATOM 222 O SER A 18 6.535 -3.389 3.857 1.00 0.00 O ATOM 223 CB SER A 18 9.527 -5.025 3.023 1.00 0.00 C ATOM 224 OG SER A 18 9.889 -4.484 4.291 1.00 0.00 O ATOM 0 H SER A 18 8.169 -2.338 2.643 1.00 0.00 H new ATOM 0 HA SER A 18 7.871 -5.053 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.424 -6.107 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.326 -4.835 2.306 1.00 0.00 H new ATOM 0 HG SER A 18 10.728 -4.891 4.593 1.00 0.00 H new ATOM 230 N ALA A 19 6.989 -5.574 4.225 1.00 0.00 N ATOM 231 CA ALA A 19 6.015 -5.710 5.295 1.00 0.00 C ATOM 232 C ALA A 19 6.502 -6.766 6.290 1.00 0.00 C ATOM 233 O ALA A 19 6.845 -7.881 5.899 1.00 0.00 O ATOM 234 CB ALA A 19 4.648 -6.055 4.701 1.00 0.00 C ATOM 0 H ALA A 19 7.509 -6.425 4.010 1.00 0.00 H new ATOM 0 HA ALA A 19 5.907 -4.771 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.918 -6.157 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.334 -5.260 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.717 -6.994 4.151 1.00 0.00 H new ATOM 240 N LYS A 20 6.516 -6.378 7.557 1.00 0.00 N ATOM 241 CA LYS A 20 6.954 -7.277 8.610 1.00 0.00 C ATOM 242 C LYS A 20 5.761 -7.638 9.497 1.00 0.00 C ATOM 243 O LYS A 20 4.805 -6.871 9.599 1.00 0.00 O ATOM 244 CB LYS A 20 8.130 -6.670 9.379 1.00 0.00 C ATOM 245 CG LYS A 20 9.346 -6.491 8.468 1.00 0.00 C ATOM 246 CD LYS A 20 9.721 -5.014 8.338 1.00 0.00 C ATOM 247 CE LYS A 20 11.216 -4.850 8.054 1.00 0.00 C ATOM 248 NZ LYS A 20 11.944 -4.500 9.294 1.00 0.00 N ATOM 0 H LYS A 20 6.231 -5.453 7.878 1.00 0.00 H new ATOM 0 HA LYS A 20 7.328 -8.208 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.838 -5.706 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.392 -7.314 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.191 -7.050 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.130 -6.903 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.143 -4.558 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.462 -4.487 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.617 -5.775 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.367 -4.073 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.957 -4.392 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.573 -3.606 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.815 -5.255 9.997 1.00 0.00 H new ATOM 262 N GLY A 21 5.855 -8.806 10.115 1.00 0.00 N ATOM 263 CA GLY A 21 4.795 -9.278 10.989 1.00 0.00 C ATOM 264 C GLY A 21 5.224 -9.211 12.456 1.00 0.00 C ATOM 265 O GLY A 21 6.335 -8.782 12.763 1.00 0.00 O ATOM 0 H GLY A 21 6.649 -9.440 10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.900 -8.674 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.534 -10.304 10.729 1.00 0.00 H new ATOM 269 N LEU A 22 4.320 -9.642 13.324 1.00 0.00 N ATOM 270 CA LEU A 22 4.591 -9.637 14.752 1.00 0.00 C ATOM 271 C LEU A 22 5.494 -10.822 15.100 1.00 0.00 C ATOM 272 O LEU A 22 5.644 -11.748 14.303 1.00 0.00 O ATOM 273 CB LEU A 22 3.283 -9.606 15.545 1.00 0.00 C ATOM 274 CG LEU A 22 2.405 -8.369 15.344 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.199 -7.087 15.601 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.758 -8.375 13.958 1.00 0.00 C ATOM 0 H LEU A 22 3.399 -9.997 13.066 1.00 0.00 H new ATOM 0 HA LEU A 22 5.130 -8.732 15.035 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.700 -10.488 15.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.522 -9.689 16.605 1.00 0.00 H new ATOM 0 HG LEU A 22 1.597 -8.400 16.075 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.552 -6.222 15.451 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.571 -7.089 16.625 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.040 -7.035 14.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.139 -7.485 13.841 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.535 -8.380 13.194 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.138 -9.265 13.850 1.00 0.00 H new ATOM 288 N GLU A 23 6.071 -10.755 16.290 1.00 0.00 N ATOM 289 CA GLU A 23 6.955 -11.811 16.753 1.00 0.00 C ATOM 290 C GLU A 23 6.313 -13.181 16.523 1.00 0.00 C ATOM 291 O GLU A 23 6.939 -14.078 15.962 1.00 0.00 O ATOM 292 CB GLU A 23 7.318 -11.616 18.227 1.00 0.00 C ATOM 293 CG GLU A 23 6.085 -11.235 19.049 1.00 0.00 C ATOM 294 CD GLU A 23 5.720 -12.345 20.036 1.00 0.00 C ATOM 295 OE1 GLU A 23 6.665 -12.919 20.620 1.00 0.00 O ATOM 296 OE2 GLU A 23 4.504 -12.594 20.186 1.00 0.00 O ATOM 0 H GLU A 23 5.944 -9.986 16.948 1.00 0.00 H new ATOM 0 HA GLU A 23 7.878 -11.763 16.176 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.754 -12.533 18.622 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.076 -10.838 18.319 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.277 -10.309 19.592 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.244 -11.045 18.383 1.00 0.00 H new ATOM 303 N ASP A 24 5.071 -13.298 16.969 1.00 0.00 N ATOM 304 CA ASP A 24 4.336 -14.543 16.819 1.00 0.00 C ATOM 305 C ASP A 24 3.146 -14.318 15.884 1.00 0.00 C ATOM 306 O ASP A 24 1.995 -14.437 16.300 1.00 0.00 O ATOM 307 CB ASP A 24 3.795 -15.029 18.165 1.00 0.00 C ATOM 308 CG ASP A 24 3.504 -16.529 18.241 1.00 0.00 C ATOM 309 OD1 ASP A 24 4.256 -17.287 17.592 1.00 0.00 O ATOM 310 OD2 ASP A 24 2.535 -16.883 18.948 1.00 0.00 O ATOM 0 H ASP A 24 4.555 -12.551 17.434 1.00 0.00 H new ATOM 0 HA ASP A 24 5.018 -15.291 16.414 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.515 -14.774 18.942 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.878 -14.484 18.389 1.00 0.00 H new ATOM 315 N ALA A 25 3.465 -13.997 14.639 1.00 0.00 N ATOM 316 CA ALA A 25 2.436 -13.755 13.641 1.00 0.00 C ATOM 317 C ALA A 25 2.755 -14.561 12.380 1.00 0.00 C ATOM 318 O ALA A 25 3.770 -14.325 11.728 1.00 0.00 O ATOM 319 CB ALA A 25 2.338 -12.254 13.364 1.00 0.00 C ATOM 0 H ALA A 25 4.421 -13.899 14.298 1.00 0.00 H new ATOM 0 HA ALA A 25 1.463 -14.084 14.005 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.567 -12.072 12.616 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.081 -11.730 14.285 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.296 -11.889 12.994 1.00 0.00 H new ATOM 325 N ASP A 26 1.867 -15.496 12.075 1.00 0.00 N ATOM 326 CA ASP A 26 2.041 -16.339 10.904 1.00 0.00 C ATOM 327 C ASP A 26 1.604 -15.567 9.657 1.00 0.00 C ATOM 328 O ASP A 26 0.753 -16.033 8.901 1.00 0.00 O ATOM 329 CB ASP A 26 1.184 -17.602 11.002 1.00 0.00 C ATOM 330 CG ASP A 26 1.170 -18.474 9.745 1.00 0.00 C ATOM 331 OD1 ASP A 26 2.228 -18.528 9.080 1.00 0.00 O ATOM 332 OD2 ASP A 26 0.103 -19.066 9.477 1.00 0.00 O ATOM 0 H ASP A 26 1.025 -15.688 12.618 1.00 0.00 H new ATOM 0 HA ASP A 26 3.092 -16.621 10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.543 -18.202 11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.160 -17.311 11.235 1.00 0.00 H new ATOM 337 N PHE A 27 2.205 -14.400 9.481 1.00 0.00 N ATOM 338 CA PHE A 27 1.889 -13.560 8.339 1.00 0.00 C ATOM 339 C PHE A 27 3.092 -13.432 7.402 1.00 0.00 C ATOM 340 O PHE A 27 4.157 -12.976 7.813 1.00 0.00 O ATOM 341 CB PHE A 27 1.534 -12.176 8.886 1.00 0.00 C ATOM 342 CG PHE A 27 1.327 -11.113 7.805 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.547 -11.385 6.725 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.924 -9.896 7.924 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.355 -10.399 5.721 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.732 -8.910 6.921 1.00 0.00 C ATOM 347 CZ PHE A 27 0.951 -9.182 5.840 1.00 0.00 C ATOM 0 H PHE A 27 2.910 -14.016 10.111 1.00 0.00 H new ATOM 0 HA PHE A 27 1.067 -13.997 7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.625 -12.255 9.482 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.328 -11.847 9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.073 -12.351 6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.544 -9.680 8.782 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.264 -10.615 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.206 -7.944 7.016 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.805 -8.432 5.077 1.00 0.00 H new ATOM 357 N LEU A 28 2.880 -13.842 6.160 1.00 0.00 N ATOM 358 CA LEU A 28 3.934 -13.779 5.161 1.00 0.00 C ATOM 359 C LEU A 28 4.976 -14.859 5.458 1.00 0.00 C ATOM 360 O LEU A 28 6.136 -14.732 5.068 1.00 0.00 O ATOM 361 CB LEU A 28 4.517 -12.367 5.086 1.00 0.00 C ATOM 362 CG LEU A 28 3.501 -11.227 4.981 1.00 0.00 C ATOM 363 CD1 LEU A 28 4.191 -9.866 5.096 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.675 -11.345 3.699 1.00 0.00 C ATOM 0 H LEU A 28 1.994 -14.219 5.823 1.00 0.00 H new ATOM 0 HA LEU A 28 3.532 -13.986 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.130 -12.201 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.182 -12.315 4.224 1.00 0.00 H new ATOM 0 HG LEU A 28 2.808 -11.308 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.447 -9.073 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.698 -9.795 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.921 -9.759 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.961 -10.523 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.337 -11.303 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.137 -12.293 3.699 1.00 0.00 H new ATOM 376 N ASN A 29 4.526 -15.899 6.145 1.00 0.00 N ATOM 377 CA ASN A 29 5.405 -17.001 6.497 1.00 0.00 C ATOM 378 C ASN A 29 5.946 -17.646 5.220 1.00 0.00 C ATOM 379 O ASN A 29 6.162 -16.963 4.219 1.00 0.00 O ATOM 380 CB ASN A 29 4.654 -18.074 7.288 1.00 0.00 C ATOM 381 CG ASN A 29 5.579 -18.762 8.294 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.554 -19.404 7.941 1.00 0.00 O ATOM 383 ND2 ASN A 29 5.218 -18.593 9.563 1.00 0.00 N ATOM 0 H ASN A 29 3.564 -16.002 6.467 1.00 0.00 H new ATOM 0 HA ASN A 29 6.215 -16.603 7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.812 -17.622 7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.242 -18.814 6.602 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.770 -19.014 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.389 -18.043 9.789 1.00 0.00 H new ATOM 390 N ASN A 30 6.147 -18.953 5.294 1.00 0.00 N ATOM 391 CA ASN A 30 6.658 -19.698 4.156 1.00 0.00 C ATOM 392 C ASN A 30 5.631 -19.657 3.023 1.00 0.00 C ATOM 393 O ASN A 30 4.958 -20.651 2.755 1.00 0.00 O ATOM 394 CB ASN A 30 6.902 -21.163 4.521 1.00 0.00 C ATOM 395 CG ASN A 30 8.244 -21.334 5.237 1.00 0.00 C ATOM 396 OD1 ASN A 30 9.203 -20.623 4.989 1.00 0.00 O ATOM 397 ND2 ASN A 30 8.257 -22.316 6.134 1.00 0.00 N ATOM 0 H ASN A 30 5.965 -19.516 6.125 1.00 0.00 H new ATOM 0 HA ASN A 30 7.599 -19.242 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.096 -21.521 5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.887 -21.774 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.106 -22.512 6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.418 -22.873 6.292 1.00 0.00 H new ATOM 404 N MET A 31 5.542 -18.497 2.389 1.00 0.00 N ATOM 405 CA MET A 31 4.608 -18.314 1.291 1.00 0.00 C ATOM 406 C MET A 31 5.154 -17.317 0.267 1.00 0.00 C ATOM 407 O MET A 31 6.300 -16.883 0.368 1.00 0.00 O ATOM 408 CB MET A 31 3.272 -17.806 1.837 1.00 0.00 C ATOM 409 CG MET A 31 3.486 -16.884 3.038 1.00 0.00 C ATOM 410 SD MET A 31 1.910 -16.374 3.705 1.00 0.00 S ATOM 411 CE MET A 31 1.297 -15.401 2.340 1.00 0.00 C ATOM 0 H MET A 31 6.101 -17.674 2.615 1.00 0.00 H new ATOM 0 HA MET A 31 4.466 -19.274 0.795 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.735 -17.271 1.054 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.649 -18.652 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.065 -17.400 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.063 -16.010 2.737 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.175 -14.365 2.657 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.006 -15.446 1.514 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.335 -15.797 2.014 1.00 0.00 H new ATOM 421 N ASP A 32 4.307 -16.983 -0.696 1.00 0.00 N ATOM 422 CA ASP A 32 4.691 -16.046 -1.737 1.00 0.00 C ATOM 423 C ASP A 32 3.573 -15.018 -1.929 1.00 0.00 C ATOM 424 O ASP A 32 2.939 -14.975 -2.982 1.00 0.00 O ATOM 425 CB ASP A 32 4.907 -16.762 -3.072 1.00 0.00 C ATOM 426 CG ASP A 32 5.887 -17.937 -3.023 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.484 -18.133 -1.943 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.016 -18.611 -4.067 1.00 0.00 O ATOM 0 H ASP A 32 3.357 -17.345 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 32 5.620 -15.565 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.945 -17.125 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.268 -16.037 -3.802 1.00 0.00 H new ATOM 433 N PRO A 33 3.361 -14.195 -0.867 1.00 0.00 N ATOM 434 CA PRO A 33 2.332 -13.171 -0.908 1.00 0.00 C ATOM 435 C PRO A 33 2.766 -11.991 -1.781 1.00 0.00 C ATOM 436 O PRO A 33 3.955 -11.811 -2.040 1.00 0.00 O ATOM 437 CB PRO A 33 2.104 -12.783 0.544 1.00 0.00 C ATOM 438 CG PRO A 33 3.331 -13.264 1.301 1.00 0.00 C ATOM 439 CD PRO A 33 4.094 -14.217 0.396 1.00 0.00 C ATOM 0 HA PRO A 33 1.406 -13.524 -1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.980 -11.705 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.198 -13.246 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.960 -12.420 1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.038 -13.766 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.126 -13.894 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.127 -15.222 0.817 1.00 0.00 H new ATOM 447 N TYR A 34 1.779 -11.217 -2.208 1.00 0.00 N ATOM 448 CA TYR A 34 2.045 -10.060 -3.046 1.00 0.00 C ATOM 449 C TYR A 34 1.135 -8.890 -2.668 1.00 0.00 C ATOM 450 O TYR A 34 -0.003 -9.094 -2.247 1.00 0.00 O ATOM 451 CB TYR A 34 1.729 -10.495 -4.478 1.00 0.00 C ATOM 452 CG TYR A 34 0.269 -10.893 -4.700 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.173 -12.141 -4.310 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.607 -10.005 -5.290 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.547 -12.517 -4.519 1.00 0.00 C ATOM 456 CE2 TYR A 34 -1.981 -10.380 -5.499 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.384 -11.617 -5.103 1.00 0.00 C ATOM 458 OH TYR A 34 -3.682 -11.972 -5.300 1.00 0.00 O ATOM 0 H TYR A 34 0.794 -11.368 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 34 3.077 -9.729 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.980 -9.681 -5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.368 -11.338 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.512 -12.836 -3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.262 -9.028 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.905 -13.491 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.676 -9.694 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.732 -12.930 -5.500 1.00 0.00 H new ATOM 468 N VAL A 35 1.670 -7.689 -2.833 1.00 0.00 N ATOM 469 CA VAL A 35 0.920 -6.485 -2.515 1.00 0.00 C ATOM 470 C VAL A 35 0.199 -5.992 -3.771 1.00 0.00 C ATOM 471 O VAL A 35 0.689 -6.175 -4.884 1.00 0.00 O ATOM 472 CB VAL A 35 1.850 -5.434 -1.907 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.091 -4.141 -1.601 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.543 -5.973 -0.654 1.00 0.00 C ATOM 0 H VAL A 35 2.614 -7.524 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 35 0.158 -6.697 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 35 2.621 -5.204 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.776 -3.411 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.667 -3.741 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.289 -4.349 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.198 -5.206 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.793 -6.246 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.133 -6.852 -0.914 1.00 0.00 H new ATOM 484 N GLN A 36 -0.953 -5.375 -3.550 1.00 0.00 N ATOM 485 CA GLN A 36 -1.745 -4.853 -4.650 1.00 0.00 C ATOM 486 C GLN A 36 -2.304 -3.474 -4.295 1.00 0.00 C ATOM 487 O GLN A 36 -3.346 -3.369 -3.650 1.00 0.00 O ATOM 488 CB GLN A 36 -2.871 -5.821 -5.022 1.00 0.00 C ATOM 489 CG GLN A 36 -3.900 -5.143 -5.928 1.00 0.00 C ATOM 490 CD GLN A 36 -5.090 -6.067 -6.194 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.385 -6.976 -5.435 1.00 0.00 O ATOM 492 NE2 GLN A 36 -5.754 -5.786 -7.311 1.00 0.00 N ATOM 0 H GLN A 36 -1.356 -5.225 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.097 -4.748 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.454 -6.692 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.360 -6.181 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.248 -4.221 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.432 -4.866 -6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.454 -5.010 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.564 -6.346 -7.577 1.00 0.00 H new ATOM 501 N LEU A 37 -1.585 -2.450 -4.731 1.00 0.00 N ATOM 502 CA LEU A 37 -1.996 -1.081 -4.467 1.00 0.00 C ATOM 503 C LEU A 37 -3.294 -0.788 -5.222 1.00 0.00 C ATOM 504 O LEU A 37 -3.371 -0.987 -6.433 1.00 0.00 O ATOM 505 CB LEU A 37 -0.861 -0.109 -4.795 1.00 0.00 C ATOM 506 CG LEU A 37 0.333 -0.124 -3.838 1.00 0.00 C ATOM 507 CD1 LEU A 37 0.009 -0.915 -2.570 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.588 -0.650 -4.537 1.00 0.00 C ATOM 0 H LEU A 37 -0.721 -2.541 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.206 -0.944 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.499 -0.330 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.270 0.901 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 37 0.540 0.902 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.874 -0.910 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.840 -0.457 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.239 -1.943 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.422 -0.651 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.409 -1.666 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.828 -0.009 -5.385 1.00 0.00 H new ATOM 520 N THR A 38 -4.283 -0.320 -4.474 1.00 0.00 N ATOM 521 CA THR A 38 -5.574 0.002 -5.057 1.00 0.00 C ATOM 522 C THR A 38 -5.903 1.481 -4.842 1.00 0.00 C ATOM 523 O THR A 38 -5.649 2.027 -3.769 1.00 0.00 O ATOM 524 CB THR A 38 -6.614 -0.945 -4.456 1.00 0.00 C ATOM 525 OG1 THR A 38 -5.997 -2.228 -4.527 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.859 -1.082 -5.335 1.00 0.00 C ATOM 0 H THR A 38 -4.216 -0.156 -3.469 1.00 0.00 H new ATOM 0 HA THR A 38 -5.567 -0.143 -6.137 1.00 0.00 H new ATOM 0 HB THR A 38 -6.904 -0.585 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.603 -2.903 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.565 -1.765 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.327 -0.105 -5.458 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.574 -1.474 -6.311 1.00 0.00 H new ATOM 534 N CYS A 39 -6.462 2.087 -5.879 1.00 0.00 N ATOM 535 CA CYS A 39 -6.828 3.492 -5.816 1.00 0.00 C ATOM 536 C CYS A 39 -8.211 3.657 -6.450 1.00 0.00 C ATOM 537 O CYS A 39 -8.322 3.893 -7.652 1.00 0.00 O ATOM 538 CB CYS A 39 -5.781 4.380 -6.492 1.00 0.00 C ATOM 539 SG CYS A 39 -6.349 6.119 -6.503 1.00 0.00 S ATOM 0 H CYS A 39 -6.670 1.631 -6.767 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.865 3.814 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.831 4.302 -5.964 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.607 4.039 -7.513 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.452 6.865 -7.077 1.00 0.00 H new ATOM 545 N ARG A 40 -9.230 3.526 -5.613 1.00 0.00 N ATOM 546 CA ARG A 40 -10.600 3.658 -6.077 1.00 0.00 C ATOM 547 C ARG A 40 -10.949 2.516 -7.034 1.00 0.00 C ATOM 548 O ARG A 40 -11.446 1.475 -6.608 1.00 0.00 O ATOM 549 CB ARG A 40 -10.815 4.995 -6.790 1.00 0.00 C ATOM 550 CG ARG A 40 -11.456 6.020 -5.852 1.00 0.00 C ATOM 551 CD ARG A 40 -10.472 6.458 -4.765 1.00 0.00 C ATOM 552 NE ARG A 40 -10.888 7.762 -4.203 1.00 0.00 N ATOM 553 CZ ARG A 40 -11.906 7.921 -3.346 1.00 0.00 C ATOM 554 NH1 ARG A 40 -12.618 6.858 -2.947 1.00 0.00 N ATOM 555 NH2 ARG A 40 -12.212 9.143 -2.887 1.00 0.00 N ATOM 0 H ARG A 40 -9.134 3.330 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.251 3.617 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.860 5.376 -7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.451 4.848 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.782 6.889 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.345 5.590 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.432 5.708 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.468 6.536 -5.182 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.367 8.592 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.385 5.928 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.393 6.979 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.670 9.952 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.987 9.264 -2.235 1.00 0.00 H new ATOM 569 N THR A 41 -10.675 2.750 -8.309 1.00 0.00 N ATOM 570 CA THR A 41 -10.953 1.754 -9.329 1.00 0.00 C ATOM 571 C THR A 41 -9.650 1.252 -9.955 1.00 0.00 C ATOM 572 O THR A 41 -9.588 0.129 -10.451 1.00 0.00 O ATOM 573 CB THR A 41 -11.915 2.374 -10.345 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.123 3.341 -11.028 1.00 0.00 O ATOM 575 CG2 THR A 41 -13.018 3.199 -9.679 1.00 0.00 C ATOM 0 H THR A 41 -10.263 3.615 -8.659 1.00 0.00 H new ATOM 0 HA THR A 41 -11.431 0.873 -8.901 1.00 0.00 H new ATOM 0 HB THR A 41 -12.365 1.585 -10.947 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.669 3.790 -11.707 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.673 3.616 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.599 2.560 -9.014 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.570 4.009 -9.104 1.00 0.00 H new ATOM 583 N GLN A 42 -8.641 2.110 -9.910 1.00 0.00 N ATOM 584 CA GLN A 42 -7.343 1.767 -10.465 1.00 0.00 C ATOM 585 C GLN A 42 -6.454 1.138 -9.390 1.00 0.00 C ATOM 586 O GLN A 42 -6.237 1.731 -8.334 1.00 0.00 O ATOM 587 CB GLN A 42 -6.670 2.995 -11.084 1.00 0.00 C ATOM 588 CG GLN A 42 -6.114 3.920 -9.999 1.00 0.00 C ATOM 589 CD GLN A 42 -5.664 5.255 -10.596 1.00 0.00 C ATOM 590 OE1 GLN A 42 -6.193 6.311 -10.290 1.00 0.00 O ATOM 591 NE2 GLN A 42 -4.660 5.149 -11.462 1.00 0.00 N ATOM 0 H GLN A 42 -8.696 3.041 -9.498 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.491 1.035 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.863 2.678 -11.745 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.389 3.538 -11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.876 4.095 -9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.273 3.438 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.263 4.233 -11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.287 5.983 -11.915 1.00 0.00 H new ATOM 600 N ASP A 43 -5.964 -0.054 -9.696 1.00 0.00 N ATOM 601 CA ASP A 43 -5.104 -0.770 -8.769 1.00 0.00 C ATOM 602 C ASP A 43 -3.895 -1.324 -9.526 1.00 0.00 C ATOM 603 O ASP A 43 -3.831 -1.234 -10.751 1.00 0.00 O ATOM 604 CB ASP A 43 -5.842 -1.947 -8.130 1.00 0.00 C ATOM 605 CG ASP A 43 -6.864 -2.638 -9.035 1.00 0.00 C ATOM 606 OD1 ASP A 43 -6.479 -2.968 -10.177 1.00 0.00 O ATOM 607 OD2 ASP A 43 -8.008 -2.820 -8.564 1.00 0.00 O ATOM 0 H ASP A 43 -6.146 -0.542 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.794 -0.073 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.107 -2.685 -7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.353 -1.593 -7.235 1.00 0.00 H new ATOM 612 N GLN A 44 -2.967 -1.885 -8.765 1.00 0.00 N ATOM 613 CA GLN A 44 -1.765 -2.454 -9.348 1.00 0.00 C ATOM 614 C GLN A 44 -1.159 -3.496 -8.405 1.00 0.00 C ATOM 615 O GLN A 44 -1.142 -3.304 -7.191 1.00 0.00 O ATOM 616 CB GLN A 44 -0.748 -1.361 -9.682 1.00 0.00 C ATOM 617 CG GLN A 44 -1.359 -0.309 -10.610 1.00 0.00 C ATOM 618 CD GLN A 44 -0.298 0.686 -11.085 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.800 0.324 -11.473 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.686 1.957 -11.032 1.00 0.00 N ATOM 0 H GLN A 44 -3.024 -1.957 -7.749 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.037 -2.950 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.405 -0.885 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.127 -1.806 -10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.815 -0.799 -11.471 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.154 0.223 -10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.620 2.191 -10.696 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.049 2.697 -11.327 1.00 0.00 H new ATOM 629 N LYS A 45 -0.677 -4.577 -9.001 1.00 0.00 N ATOM 630 CA LYS A 45 -0.072 -5.650 -8.230 1.00 0.00 C ATOM 631 C LYS A 45 1.448 -5.593 -8.391 1.00 0.00 C ATOM 632 O LYS A 45 1.953 -5.022 -9.356 1.00 0.00 O ATOM 633 CB LYS A 45 -0.681 -6.998 -8.619 1.00 0.00 C ATOM 634 CG LYS A 45 -2.175 -6.859 -8.920 1.00 0.00 C ATOM 635 CD LYS A 45 -2.864 -8.225 -8.924 1.00 0.00 C ATOM 636 CE LYS A 45 -2.628 -8.954 -10.248 1.00 0.00 C ATOM 637 NZ LYS A 45 -3.312 -10.267 -10.245 1.00 0.00 N ATOM 0 H LYS A 45 -0.693 -4.733 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.286 -5.524 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.166 -7.395 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.534 -7.714 -7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.641 -6.215 -8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.311 -6.376 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.486 -8.829 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.934 -8.097 -8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.996 -8.347 -11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.559 -9.094 -10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.142 -10.749 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.941 -10.850 -9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.334 -10.126 -10.115 1.00 0.00 H new ATOM 651 N SER A 46 2.136 -6.193 -7.430 1.00 0.00 N ATOM 652 CA SER A 46 3.588 -6.218 -7.452 1.00 0.00 C ATOM 653 C SER A 46 4.084 -7.653 -7.641 1.00 0.00 C ATOM 654 O SER A 46 3.295 -8.595 -7.609 1.00 0.00 O ATOM 655 CB SER A 46 4.170 -5.620 -6.170 1.00 0.00 C ATOM 656 OG SER A 46 5.379 -4.908 -6.413 1.00 0.00 O ATOM 0 H SER A 46 1.714 -6.666 -6.631 1.00 0.00 H new ATOM 0 HA SER A 46 3.927 -5.609 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.439 -4.949 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.357 -6.417 -5.451 1.00 0.00 H new ATOM 0 HG SER A 46 6.133 -5.402 -6.027 1.00 0.00 H new ATOM 662 N ASN A 47 5.390 -7.773 -7.835 1.00 0.00 N ATOM 663 CA ASN A 47 6.000 -9.077 -8.029 1.00 0.00 C ATOM 664 C ASN A 47 5.598 -10.001 -6.877 1.00 0.00 C ATOM 665 O ASN A 47 5.086 -9.540 -5.858 1.00 0.00 O ATOM 666 CB ASN A 47 7.527 -8.974 -8.041 1.00 0.00 C ATOM 667 CG ASN A 47 8.040 -8.285 -6.776 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.050 -7.070 -6.660 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.464 -9.125 -5.836 1.00 0.00 N ATOM 0 H ASN A 47 6.042 -6.989 -7.862 1.00 0.00 H new ATOM 0 HA ASN A 47 5.657 -9.470 -8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.962 -9.971 -8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.850 -8.416 -8.920 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.825 -8.763 -4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.428 -10.131 -5.998 1.00 0.00 H new ATOM 676 N VAL A 48 5.843 -11.287 -7.079 1.00 0.00 N ATOM 677 CA VAL A 48 5.513 -12.279 -6.070 1.00 0.00 C ATOM 678 C VAL A 48 6.734 -12.522 -5.181 1.00 0.00 C ATOM 679 O VAL A 48 7.788 -12.933 -5.665 1.00 0.00 O ATOM 680 CB VAL A 48 4.998 -13.554 -6.739 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.097 -14.750 -5.790 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.564 -13.370 -7.241 1.00 0.00 C ATOM 0 H VAL A 48 6.266 -11.665 -7.927 1.00 0.00 H new ATOM 0 HA VAL A 48 4.710 -11.918 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 48 5.631 -13.758 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.724 -15.644 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.138 -14.902 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.500 -14.558 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.222 -14.292 -7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.913 -13.129 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.534 -12.558 -7.968 1.00 0.00 H new ATOM 692 N ALA A 49 6.552 -12.258 -3.895 1.00 0.00 N ATOM 693 CA ALA A 49 7.626 -12.442 -2.934 1.00 0.00 C ATOM 694 C ALA A 49 7.985 -13.928 -2.856 1.00 0.00 C ATOM 695 O ALA A 49 7.503 -14.641 -1.976 1.00 0.00 O ATOM 696 CB ALA A 49 7.202 -11.873 -1.579 1.00 0.00 C ATOM 0 H ALA A 49 5.677 -11.918 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 49 8.519 -11.903 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.008 -12.011 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.986 -10.810 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.310 -12.392 -1.229 1.00 0.00 H new ATOM 702 N GLU A 50 8.827 -14.350 -3.787 1.00 0.00 N ATOM 703 CA GLU A 50 9.256 -15.738 -3.835 1.00 0.00 C ATOM 704 C GLU A 50 10.282 -16.014 -2.734 1.00 0.00 C ATOM 705 O GLU A 50 11.341 -15.389 -2.696 1.00 0.00 O ATOM 706 CB GLU A 50 9.821 -16.090 -5.212 1.00 0.00 C ATOM 707 CG GLU A 50 8.714 -16.115 -6.268 1.00 0.00 C ATOM 708 CD GLU A 50 9.297 -15.973 -7.676 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.986 -16.924 -8.104 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.041 -14.916 -8.292 1.00 0.00 O ATOM 0 H GLU A 50 9.224 -13.755 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 50 8.387 -16.373 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.581 -15.362 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.311 -17.063 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.156 -17.049 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.008 -15.306 -6.079 1.00 0.00 H new ATOM 717 N GLY A 51 9.932 -16.951 -1.865 1.00 0.00 N ATOM 718 CA GLY A 51 10.809 -17.318 -0.766 1.00 0.00 C ATOM 719 C GLY A 51 11.548 -16.094 -0.222 1.00 0.00 C ATOM 720 O GLY A 51 12.743 -15.929 -0.459 1.00 0.00 O ATOM 0 H GLY A 51 9.053 -17.467 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.226 -17.779 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.530 -18.062 -1.104 1.00 0.00 H new ATOM 724 N MET A 52 10.805 -15.266 0.498 1.00 0.00 N ATOM 725 CA MET A 52 11.374 -14.062 1.078 1.00 0.00 C ATOM 726 C MET A 52 11.345 -14.123 2.607 1.00 0.00 C ATOM 727 O MET A 52 12.225 -13.576 3.270 1.00 0.00 O ATOM 728 CB MET A 52 10.583 -12.842 0.601 1.00 0.00 C ATOM 729 CG MET A 52 10.880 -12.536 -0.868 1.00 0.00 C ATOM 730 SD MET A 52 12.570 -11.991 -1.049 1.00 0.00 S ATOM 731 CE MET A 52 12.371 -10.793 -2.357 1.00 0.00 C ATOM 0 H MET A 52 9.814 -15.406 0.693 1.00 0.00 H new ATOM 0 HA MET A 52 12.412 -13.982 0.756 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.516 -13.023 0.730 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.836 -11.977 1.215 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.709 -13.425 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.200 -11.766 -1.232 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.339 -10.352 -2.597 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.967 -11.284 -3.242 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.686 -10.010 -2.032 1.00 0.00 H new ATOM 741 N GLY A 53 10.325 -14.793 3.121 1.00 0.00 N ATOM 742 CA GLY A 53 10.170 -14.933 4.559 1.00 0.00 C ATOM 743 C GLY A 53 8.995 -14.096 5.068 1.00 0.00 C ATOM 744 O GLY A 53 8.132 -13.692 4.289 1.00 0.00 O ATOM 0 H GLY A 53 9.597 -15.245 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.010 -15.981 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.087 -14.621 5.059 1.00 0.00 H new ATOM 748 N THR A 54 8.998 -13.860 6.372 1.00 0.00 N ATOM 749 CA THR A 54 7.943 -13.078 6.994 1.00 0.00 C ATOM 750 C THR A 54 8.194 -11.583 6.786 1.00 0.00 C ATOM 751 O THR A 54 7.445 -10.748 7.292 1.00 0.00 O ATOM 752 CB THR A 54 7.863 -13.481 8.468 1.00 0.00 C ATOM 753 OG1 THR A 54 9.224 -13.598 8.871 1.00 0.00 O ATOM 754 CG2 THR A 54 7.295 -14.889 8.659 1.00 0.00 C ATOM 0 H THR A 54 9.715 -14.197 7.015 1.00 0.00 H new ATOM 0 HA THR A 54 6.976 -13.281 6.533 1.00 0.00 H new ATOM 0 HB THR A 54 7.245 -12.763 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.264 -13.855 9.816 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.259 -15.126 9.722 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.288 -14.935 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.932 -15.611 8.148 1.00 0.00 H new ATOM 762 N THR A 55 9.249 -11.291 6.040 1.00 0.00 N ATOM 763 CA THR A 55 9.608 -9.911 5.759 1.00 0.00 C ATOM 764 C THR A 55 9.948 -9.740 4.277 1.00 0.00 C ATOM 765 O THR A 55 11.084 -9.419 3.930 1.00 0.00 O ATOM 766 CB THR A 55 10.753 -9.520 6.694 1.00 0.00 C ATOM 767 OG1 THR A 55 11.639 -10.635 6.644 1.00 0.00 O ATOM 768 CG2 THR A 55 10.317 -9.458 8.160 1.00 0.00 C ATOM 0 H THR A 55 9.867 -11.986 5.621 1.00 0.00 H new ATOM 0 HA THR A 55 8.771 -9.238 5.948 1.00 0.00 H new ATOM 0 HB THR A 55 11.153 -8.552 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.412 -10.465 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.167 -9.176 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.524 -8.718 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.948 -10.435 8.472 1.00 0.00 H new ATOM 776 N PRO A 56 8.917 -9.968 3.420 1.00 0.00 N ATOM 777 CA PRO A 56 9.095 -9.843 1.984 1.00 0.00 C ATOM 778 C PRO A 56 9.163 -8.372 1.566 1.00 0.00 C ATOM 779 O PRO A 56 8.273 -7.589 1.893 1.00 0.00 O ATOM 780 CB PRO A 56 7.914 -10.580 1.375 1.00 0.00 C ATOM 781 CG PRO A 56 6.876 -10.690 2.480 1.00 0.00 C ATOM 782 CD PRO A 56 7.558 -10.350 3.795 1.00 0.00 C ATOM 0 HA PRO A 56 10.035 -10.272 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.515 -10.038 0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.211 -11.566 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.046 -10.009 2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.460 -11.697 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.045 -9.536 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.559 -11.204 4.473 1.00 0.00 H new ATOM 790 N GLU A 57 10.227 -8.042 0.849 1.00 0.00 N ATOM 791 CA GLU A 57 10.422 -6.680 0.383 1.00 0.00 C ATOM 792 C GLU A 57 10.222 -6.603 -1.132 1.00 0.00 C ATOM 793 O GLU A 57 10.891 -7.309 -1.886 1.00 0.00 O ATOM 794 CB GLU A 57 11.803 -6.157 0.781 1.00 0.00 C ATOM 795 CG GLU A 57 12.093 -6.441 2.257 1.00 0.00 C ATOM 796 CD GLU A 57 13.354 -7.293 2.414 1.00 0.00 C ATOM 797 OE1 GLU A 57 13.325 -8.444 1.928 1.00 0.00 O ATOM 798 OE2 GLU A 57 14.319 -6.773 3.016 1.00 0.00 O ATOM 0 H GLU A 57 10.963 -8.695 0.579 1.00 0.00 H new ATOM 0 HA GLU A 57 9.677 -6.043 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.566 -6.626 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.857 -5.084 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.216 -5.501 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.244 -6.956 2.706 1.00 0.00 H new ATOM 805 N TRP A 58 9.300 -5.740 -1.532 1.00 0.00 N ATOM 806 CA TRP A 58 9.004 -5.563 -2.944 1.00 0.00 C ATOM 807 C TRP A 58 9.858 -4.404 -3.463 1.00 0.00 C ATOM 808 O TRP A 58 10.446 -4.496 -4.540 1.00 0.00 O ATOM 809 CB TRP A 58 7.506 -5.348 -3.167 1.00 0.00 C ATOM 810 CG TRP A 58 6.659 -6.605 -2.959 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.375 -7.565 -3.849 1.00 0.00 C ATOM 812 CD2 TRP A 58 5.995 -7.003 -1.741 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.579 -8.548 -3.297 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.341 -8.195 -1.974 1.00 0.00 C ATOM 815 CE3 TRP A 58 5.949 -6.375 -0.483 1.00 0.00 C ATOM 816 CZ2 TRP A 58 4.593 -8.863 -0.997 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.197 -7.055 0.482 1.00 0.00 C ATOM 818 CH2 TRP A 58 4.532 -8.256 0.264 1.00 0.00 C ATOM 0 H TRP A 58 8.748 -5.156 -0.904 1.00 0.00 H new ATOM 0 HA TRP A 58 9.256 -6.462 -3.507 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.156 -4.570 -2.488 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.349 -4.980 -4.181 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.725 -7.569 -4.871 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.230 -9.380 -3.772 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.454 -5.442 -0.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.090 -9.796 -1.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.129 -6.615 1.466 1.00 0.00 H new ATOM 0 HH2 TRP A 58 3.971 -8.719 1.063 1.00 0.00 H new ATOM 829 N ASN A 59 9.898 -3.340 -2.674 1.00 0.00 N ATOM 830 CA ASN A 59 10.670 -2.165 -3.041 1.00 0.00 C ATOM 831 C ASN A 59 10.244 -1.695 -4.433 1.00 0.00 C ATOM 832 O ASN A 59 11.080 -1.289 -5.239 1.00 0.00 O ATOM 833 CB ASN A 59 12.167 -2.482 -3.087 1.00 0.00 C ATOM 834 CG ASN A 59 12.424 -3.959 -2.783 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.929 -4.709 -3.603 1.00 0.00 O ATOM 836 ND2 ASN A 59 12.051 -4.333 -1.563 1.00 0.00 N ATOM 0 H ASN A 59 9.408 -3.267 -1.782 1.00 0.00 H new ATOM 0 HA ASN A 59 10.487 -1.394 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.565 -2.235 -4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.696 -1.861 -2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.182 -5.299 -1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.634 -3.654 -0.926 1.00 0.00 H new ATOM 843 N GLU A 60 8.943 -1.765 -4.674 1.00 0.00 N ATOM 844 CA GLU A 60 8.395 -1.351 -5.954 1.00 0.00 C ATOM 845 C GLU A 60 7.919 0.102 -5.883 1.00 0.00 C ATOM 846 O GLU A 60 7.888 0.697 -4.807 1.00 0.00 O ATOM 847 CB GLU A 60 7.260 -2.279 -6.391 1.00 0.00 C ATOM 848 CG GLU A 60 7.779 -3.380 -7.319 1.00 0.00 C ATOM 849 CD GLU A 60 8.495 -2.783 -8.532 1.00 0.00 C ATOM 850 OE1 GLU A 60 7.779 -2.416 -9.489 1.00 0.00 O ATOM 851 OE2 GLU A 60 9.741 -2.707 -8.475 1.00 0.00 O ATOM 0 H GLU A 60 8.252 -2.103 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 60 9.184 -1.418 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.794 -2.728 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.489 -1.702 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.463 -4.029 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.948 -4.001 -7.652 1.00 0.00 H new ATOM 858 N THR A 61 7.560 0.631 -7.044 1.00 0.00 N ATOM 859 CA THR A 61 7.087 2.002 -7.127 1.00 0.00 C ATOM 860 C THR A 61 5.869 2.091 -8.049 1.00 0.00 C ATOM 861 O THR A 61 5.955 1.759 -9.231 1.00 0.00 O ATOM 862 CB THR A 61 8.256 2.879 -7.578 1.00 0.00 C ATOM 863 OG1 THR A 61 9.015 3.084 -6.389 1.00 0.00 O ATOM 864 CG2 THR A 61 7.811 4.286 -7.983 1.00 0.00 C ATOM 0 H THR A 61 7.587 0.135 -7.935 1.00 0.00 H new ATOM 0 HA THR A 61 6.747 2.363 -6.156 1.00 0.00 H new ATOM 0 HB THR A 61 8.763 2.403 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.795 3.642 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.679 4.867 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.103 4.220 -8.809 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.333 4.775 -7.134 1.00 0.00 H new ATOM 872 N PHE A 62 4.763 2.541 -7.475 1.00 0.00 N ATOM 873 CA PHE A 62 3.530 2.678 -8.231 1.00 0.00 C ATOM 874 C PHE A 62 3.067 4.136 -8.265 1.00 0.00 C ATOM 875 O PHE A 62 3.278 4.881 -7.309 1.00 0.00 O ATOM 876 CB PHE A 62 2.471 1.836 -7.515 1.00 0.00 C ATOM 877 CG PHE A 62 2.874 0.375 -7.307 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.642 0.027 -6.240 1.00 0.00 C ATOM 879 CD2 PHE A 62 2.465 -0.575 -8.190 1.00 0.00 C ATOM 880 CE1 PHE A 62 4.016 -1.329 -6.047 1.00 0.00 C ATOM 881 CE2 PHE A 62 2.839 -1.931 -7.997 1.00 0.00 C ATOM 882 CZ PHE A 62 3.607 -2.280 -6.930 1.00 0.00 C ATOM 0 H PHE A 62 4.695 2.815 -6.495 1.00 0.00 H new ATOM 0 HA PHE A 62 3.685 2.350 -9.259 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.259 2.285 -6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.546 1.869 -8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.967 0.782 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.856 -0.298 -9.038 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.625 -1.606 -5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.514 -2.686 -8.698 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.892 -3.311 -6.784 1.00 0.00 H new ATOM 892 N ILE A 63 2.445 4.500 -9.377 1.00 0.00 N ATOM 893 CA ILE A 63 1.951 5.855 -9.549 1.00 0.00 C ATOM 894 C ILE A 63 0.431 5.822 -9.721 1.00 0.00 C ATOM 895 O ILE A 63 -0.105 4.912 -10.352 1.00 0.00 O ATOM 896 CB ILE A 63 2.685 6.552 -10.697 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.169 6.182 -10.704 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.472 8.066 -10.646 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.888 6.775 -9.490 1.00 0.00 C ATOM 0 H ILE A 63 2.272 3.879 -10.168 1.00 0.00 H new ATOM 0 HA ILE A 63 2.159 6.451 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 63 2.261 6.199 -11.637 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.277 5.097 -10.701 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.634 6.546 -11.620 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.004 8.536 -11.473 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.408 8.287 -10.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.852 8.455 -9.701 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.941 6.497 -9.519 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.799 7.861 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.436 6.390 -8.576 1.00 0.00 H new ATOM 911 N PHE A 64 -0.219 6.824 -9.149 1.00 0.00 N ATOM 912 CA PHE A 64 -1.667 6.920 -9.231 1.00 0.00 C ATOM 913 C PHE A 64 -2.113 8.378 -9.365 1.00 0.00 C ATOM 914 O PHE A 64 -1.614 9.251 -8.657 1.00 0.00 O ATOM 915 CB PHE A 64 -2.228 6.345 -7.929 1.00 0.00 C ATOM 916 CG PHE A 64 -2.239 4.816 -7.878 1.00 0.00 C ATOM 917 CD1 PHE A 64 -3.057 4.114 -8.707 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.431 4.159 -7.003 1.00 0.00 C ATOM 919 CE1 PHE A 64 -3.067 2.695 -8.659 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.441 2.740 -6.955 1.00 0.00 C ATOM 921 CZ PHE A 64 -2.259 2.038 -7.784 1.00 0.00 C ATOM 0 H PHE A 64 0.230 7.577 -8.627 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.027 6.376 -10.104 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.638 6.722 -7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.246 6.710 -7.791 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.699 4.636 -9.402 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.782 4.717 -6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.716 2.137 -9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.799 2.218 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.267 0.959 -7.748 1.00 0.00 H new ATOM 931 N THR A 65 -3.047 8.595 -10.279 1.00 0.00 N ATOM 932 CA THR A 65 -3.566 9.932 -10.515 1.00 0.00 C ATOM 933 C THR A 65 -4.623 10.287 -9.467 1.00 0.00 C ATOM 934 O THR A 65 -5.594 9.554 -9.287 1.00 0.00 O ATOM 935 CB THR A 65 -4.091 9.989 -11.951 1.00 0.00 C ATOM 936 OG1 THR A 65 -2.913 10.091 -12.747 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.853 11.282 -12.245 1.00 0.00 C ATOM 0 H THR A 65 -3.458 7.868 -10.865 1.00 0.00 H new ATOM 0 HA THR A 65 -2.784 10.684 -10.409 1.00 0.00 H new ATOM 0 HB THR A 65 -4.743 9.135 -12.133 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.161 10.132 -13.694 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.204 11.271 -13.277 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.707 11.362 -11.572 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.192 12.136 -12.095 1.00 0.00 H new ATOM 945 N VAL A 66 -4.398 11.411 -8.803 1.00 0.00 N ATOM 946 CA VAL A 66 -5.319 11.872 -7.778 1.00 0.00 C ATOM 947 C VAL A 66 -6.015 13.146 -8.260 1.00 0.00 C ATOM 948 O VAL A 66 -5.405 13.974 -8.934 1.00 0.00 O ATOM 949 CB VAL A 66 -4.576 12.061 -6.454 1.00 0.00 C ATOM 950 CG1 VAL A 66 -5.541 12.461 -5.336 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.795 10.800 -6.078 1.00 0.00 C ATOM 0 H VAL A 66 -3.591 12.016 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.094 11.127 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.860 12.872 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.987 12.589 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.033 13.398 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.292 11.681 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.276 10.962 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.485 9.962 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.067 10.577 -6.858 1.00 0.00 H new ATOM 961 N SER A 67 -7.284 13.263 -7.894 1.00 0.00 N ATOM 962 CA SER A 67 -8.070 14.422 -8.281 1.00 0.00 C ATOM 963 C SER A 67 -9.560 14.077 -8.252 1.00 0.00 C ATOM 964 O SER A 67 -10.299 14.422 -9.173 1.00 0.00 O ATOM 965 CB SER A 67 -7.668 14.922 -9.670 1.00 0.00 C ATOM 966 OG SER A 67 -8.693 15.706 -10.272 1.00 0.00 O ATOM 0 H SER A 67 -7.786 12.574 -7.334 1.00 0.00 H new ATOM 0 HA SER A 67 -7.874 15.222 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.757 15.515 -9.592 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.440 14.070 -10.310 1.00 0.00 H new ATOM 0 HG SER A 67 -9.539 15.212 -10.249 1.00 0.00 H new ATOM 972 N GLU A 68 -9.958 13.401 -7.184 1.00 0.00 N ATOM 973 CA GLU A 68 -11.346 13.006 -7.023 1.00 0.00 C ATOM 974 C GLU A 68 -11.602 12.537 -5.589 1.00 0.00 C ATOM 975 O GLU A 68 -12.273 11.530 -5.371 1.00 0.00 O ATOM 976 CB GLU A 68 -11.728 11.920 -8.030 1.00 0.00 C ATOM 977 CG GLU A 68 -10.948 10.630 -7.768 1.00 0.00 C ATOM 978 CD GLU A 68 -11.543 9.460 -8.554 1.00 0.00 C ATOM 979 OE1 GLU A 68 -12.780 9.294 -8.476 1.00 0.00 O ATOM 980 OE2 GLU A 68 -10.748 8.757 -9.215 1.00 0.00 O ATOM 0 H GLU A 68 -9.343 13.117 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.975 13.875 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.798 11.721 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.528 12.271 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.904 10.768 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.963 10.402 -6.702 1.00 0.00 H new ATOM 987 N GLY A 69 -11.053 13.291 -4.647 1.00 0.00 N ATOM 988 CA GLY A 69 -11.213 12.965 -3.240 1.00 0.00 C ATOM 989 C GLY A 69 -10.111 12.014 -2.768 1.00 0.00 C ATOM 990 O GLY A 69 -9.736 12.025 -1.597 1.00 0.00 O ATOM 0 H GLY A 69 -10.497 14.126 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.188 13.879 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.188 12.506 -3.078 1.00 0.00 H new ATOM 994 N THR A 70 -9.623 11.214 -3.705 1.00 0.00 N ATOM 995 CA THR A 70 -8.572 10.259 -3.400 1.00 0.00 C ATOM 996 C THR A 70 -7.573 10.863 -2.411 1.00 0.00 C ATOM 997 O THR A 70 -6.820 11.771 -2.760 1.00 0.00 O ATOM 998 CB THR A 70 -7.932 9.823 -4.720 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.028 9.347 -5.497 1.00 0.00 O ATOM 1000 CG2 THR A 70 -7.031 8.597 -4.557 1.00 0.00 C ATOM 0 H THR A 70 -9.936 11.208 -4.676 1.00 0.00 H new ATOM 0 HA THR A 70 -8.973 9.373 -2.908 1.00 0.00 H new ATOM 0 HB THR A 70 -7.351 10.648 -5.132 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.703 9.046 -6.371 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.602 8.330 -5.523 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.229 8.825 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.619 7.761 -4.177 1.00 0.00 H new ATOM 1008 N THR A 71 -7.599 10.334 -1.196 1.00 0.00 N ATOM 1009 CA THR A 71 -6.705 10.810 -0.154 1.00 0.00 C ATOM 1010 C THR A 71 -6.186 9.636 0.679 1.00 0.00 C ATOM 1011 O THR A 71 -5.939 9.781 1.876 1.00 0.00 O ATOM 1012 CB THR A 71 -7.456 11.856 0.671 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.766 11.313 0.811 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.673 13.162 -0.096 1.00 0.00 C ATOM 0 H THR A 71 -8.225 9.581 -0.910 1.00 0.00 H new ATOM 0 HA THR A 71 -5.820 11.284 -0.577 1.00 0.00 H new ATOM 0 HB THR A 71 -6.902 12.062 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.315 11.582 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.210 13.870 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.708 13.585 -0.375 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.256 12.963 -0.996 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.036 8.500 0.014 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.550 7.303 0.679 1.00 0.00 C ATOM 1024 C GLU A 72 -5.420 6.155 -0.324 1.00 0.00 C ATOM 1025 O GLU A 72 -6.120 6.127 -1.335 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.464 6.913 1.843 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.603 6.009 1.367 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.908 6.345 2.091 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -8.892 6.300 3.340 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.893 6.639 1.379 1.00 0.00 O ATOM 0 H GLU A 72 -6.242 8.383 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.563 7.514 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.884 6.400 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.876 7.811 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.739 6.125 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.343 4.966 1.545 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.520 5.235 -0.009 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.289 4.088 -0.871 1.00 0.00 C ATOM 1039 C LEU A 73 -4.610 2.805 -0.101 1.00 0.00 C ATOM 1040 O LEU A 73 -4.321 2.704 1.091 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.871 4.124 -1.443 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.405 2.856 -2.162 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.734 2.920 -3.654 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.917 2.600 -1.913 1.00 0.00 C ATOM 0 H LEU A 73 -3.942 5.260 0.831 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.955 4.119 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.803 4.959 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.177 4.332 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.951 2.008 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.392 2.007 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.811 3.020 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.233 3.779 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.611 1.693 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.336 3.445 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.742 2.479 -0.844 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.202 1.858 -0.813 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.564 0.586 -0.211 1.00 0.00 C ATOM 1058 C LYS A 74 -4.565 -0.486 -0.653 1.00 0.00 C ATOM 1059 O LYS A 74 -4.433 -0.763 -1.844 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.020 0.238 -0.530 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.942 0.628 0.626 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.875 2.132 0.899 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.268 2.762 0.845 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.996 2.519 2.110 1.00 0.00 N ATOM 0 H LYS A 74 -5.440 1.946 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.505 0.648 0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.331 0.755 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.108 -0.831 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.967 0.343 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.657 0.079 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.430 2.308 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.227 2.610 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.182 3.834 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.830 2.345 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.940 2.953 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.094 1.495 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.467 2.938 2.901 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.887 -1.059 0.331 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.904 -2.093 0.059 1.00 0.00 C ATOM 1080 C ALA A 75 -3.383 -3.416 0.659 1.00 0.00 C ATOM 1081 O ALA A 75 -3.430 -3.568 1.878 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.543 -1.662 0.609 1.00 0.00 C ATOM 0 H ALA A 75 -3.999 -0.826 1.318 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.789 -2.240 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.806 -2.438 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.234 -0.733 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.618 -1.507 1.685 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.726 -4.341 -0.226 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.200 -5.646 0.201 1.00 0.00 C ATOM 1090 C LYS A 76 -3.161 -6.707 -0.167 1.00 0.00 C ATOM 1091 O LYS A 76 -2.606 -6.683 -1.265 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.592 -5.925 -0.371 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.677 -5.257 0.476 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.021 -5.966 0.304 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.693 -6.204 1.658 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.448 -5.003 2.080 1.00 0.00 N ATOM 0 H LYS A 76 -3.685 -4.212 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.315 -5.673 1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.648 -5.558 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.765 -7.001 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.385 -5.273 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.775 -4.210 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.674 -5.366 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.871 -6.919 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.366 -7.059 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.940 -6.449 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.898 -5.181 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.798 -4.196 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.180 -4.787 1.373 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.927 -7.612 0.772 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.964 -8.679 0.561 1.00 0.00 C ATOM 1112 C ILE A 77 -2.706 -10.010 0.420 1.00 0.00 C ATOM 1113 O ILE A 77 -3.695 -10.249 1.111 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.910 -8.677 1.669 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.233 -7.309 1.780 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.104 -9.803 1.464 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.973 -6.410 2.772 1.00 0.00 C ATOM 0 H ILE A 77 -3.388 -7.628 1.682 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.416 -8.519 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.412 -8.866 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.801 -7.436 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.207 -6.832 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.842 -9.778 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.412 -10.763 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.605 -9.671 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.471 -5.444 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.000 -6.265 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.976 -6.879 3.756 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.200 -10.841 -0.479 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.802 -12.141 -0.719 1.00 0.00 C ATOM 1131 C PHE A 78 -1.731 -13.204 -0.969 1.00 0.00 C ATOM 1132 O PHE A 78 -0.559 -12.995 -0.657 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.673 -12.007 -1.970 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.666 -10.845 -1.915 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -4.246 -9.578 -2.175 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -5.970 -11.079 -1.606 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -5.168 -8.499 -2.124 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -6.892 -10.000 -1.555 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.472 -8.733 -1.815 1.00 0.00 C ATOM 0 H PHE A 78 -1.379 -10.639 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.383 -12.448 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.027 -11.878 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.224 -12.936 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.211 -9.392 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.304 -12.085 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.834 -7.493 -2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.927 -10.186 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.173 -7.913 -1.776 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.170 -14.321 -1.531 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.263 -15.417 -1.827 1.00 0.00 C ATOM 1151 C ASP A 79 -1.217 -15.641 -3.340 1.00 0.00 C ATOM 1152 O ASP A 79 -2.254 -15.645 -4.002 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.736 -16.715 -1.171 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.955 -17.967 -1.577 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.214 -17.798 -1.987 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.545 -19.064 -1.469 1.00 0.00 O ATOM 0 H ASP A 79 -3.142 -14.490 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.279 -15.155 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.674 -16.601 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.787 -16.866 -1.415 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.005 -15.822 -3.842 1.00 0.00 N ATOM 1162 CA LYS A 80 0.189 -16.046 -5.265 1.00 0.00 C ATOM 1163 C LYS A 80 -0.847 -17.055 -5.764 1.00 0.00 C ATOM 1164 O LYS A 80 -1.231 -17.029 -6.932 1.00 0.00 O ATOM 1165 CB LYS A 80 1.635 -16.458 -5.550 1.00 0.00 C ATOM 1166 CG LYS A 80 1.776 -17.981 -5.581 1.00 0.00 C ATOM 1167 CD LYS A 80 3.230 -18.393 -5.815 1.00 0.00 C ATOM 1168 CE LYS A 80 3.338 -19.393 -6.968 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.748 -19.789 -7.180 1.00 0.00 N ATOM 0 H LYS A 80 0.852 -15.818 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 80 0.029 -15.122 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.954 -16.040 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.292 -16.044 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.422 -18.402 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.146 -18.392 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.830 -17.511 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.637 -18.835 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.735 -20.275 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.937 -18.950 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.804 -20.468 -7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.314 -18.947 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.118 -20.231 -6.314 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.270 -17.920 -4.854 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.255 -18.935 -5.187 1.00 0.00 C ATOM 1185 C ASP A 81 -3.630 -18.489 -4.688 1.00 0.00 C ATOM 1186 O ASP A 81 -4.379 -19.287 -4.125 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.918 -20.269 -4.518 1.00 0.00 C ATOM 1188 CG ASP A 81 -0.556 -20.855 -4.892 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -0.252 -20.855 -6.104 1.00 0.00 O ATOM 1190 OD2 ASP A 81 0.151 -21.290 -3.957 1.00 0.00 O ATOM 0 H ASP A 81 -0.949 -17.939 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.254 -19.064 -6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.954 -20.135 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.691 -20.993 -4.776 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.922 -17.216 -4.912 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.194 -16.655 -4.491 1.00 0.00 C ATOM 1197 C VAL A 82 -5.547 -15.470 -5.394 1.00 0.00 C ATOM 1198 O VAL A 82 -4.659 -14.796 -5.914 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.137 -16.281 -3.009 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.373 -15.478 -2.598 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.976 -17.526 -2.135 1.00 0.00 C ATOM 0 H VAL A 82 -3.299 -16.557 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.990 -17.392 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.262 -15.650 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.307 -15.225 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.425 -14.563 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.269 -16.074 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.938 -17.232 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.822 -18.194 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.053 -18.040 -2.401 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.844 -15.253 -5.551 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.325 -14.161 -6.381 1.00 0.00 C ATOM 1213 C GLY A 83 -7.582 -12.907 -5.543 1.00 0.00 C ATOM 1214 O GLY A 83 -8.169 -12.987 -4.465 1.00 0.00 O ATOM 0 H GLY A 83 -7.577 -15.814 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.593 -13.940 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.244 -14.460 -6.885 1.00 0.00 H new ATOM 1218 N THR A 84 -7.131 -11.779 -6.071 1.00 0.00 N ATOM 1219 CA THR A 84 -7.305 -10.510 -5.385 1.00 0.00 C ATOM 1220 C THR A 84 -8.673 -10.456 -4.701 1.00 0.00 C ATOM 1221 O THR A 84 -8.820 -9.841 -3.647 1.00 0.00 O ATOM 1222 CB THR A 84 -7.090 -9.389 -6.404 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.856 -9.796 -7.535 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.653 -9.338 -6.925 1.00 0.00 C ATOM 0 H THR A 84 -6.645 -11.717 -6.966 1.00 0.00 H new ATOM 0 HA THR A 84 -6.573 -10.388 -4.587 1.00 0.00 H new ATOM 0 HB THR A 84 -7.344 -8.432 -5.949 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.775 -9.124 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.555 -8.525 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.970 -9.170 -6.092 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.408 -10.283 -7.410 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.639 -11.109 -5.330 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.990 -11.144 -4.796 1.00 0.00 C ATOM 1234 C GLU A 85 -11.297 -12.528 -4.220 1.00 0.00 C ATOM 1235 O GLU A 85 -12.273 -13.165 -4.614 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.012 -10.755 -5.865 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.772 -9.328 -6.360 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.975 -8.812 -7.153 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -14.101 -8.951 -6.628 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -12.742 -8.291 -8.264 1.00 0.00 O ATOM 0 H GLU A 85 -9.513 -11.618 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.061 -10.413 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.949 -11.450 -6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.019 -10.838 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.584 -8.672 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.881 -9.302 -6.987 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.447 -12.952 -3.297 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.616 -14.248 -2.663 1.00 0.00 C ATOM 1249 C ASP A 86 -10.402 -14.105 -1.154 1.00 0.00 C ATOM 1250 O ASP A 86 -11.342 -14.248 -0.374 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.594 -15.257 -3.191 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.588 -16.608 -2.473 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -9.137 -16.629 -1.308 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -10.036 -17.589 -3.105 1.00 0.00 O ATOM 0 H ASP A 86 -9.639 -12.421 -2.973 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.622 -14.603 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.787 -15.426 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.599 -14.818 -3.115 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.160 -13.825 -0.789 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.811 -13.661 0.612 1.00 0.00 C ATOM 1261 C ASP A 87 -7.431 -13.008 0.716 1.00 0.00 C ATOM 1262 O ASP A 87 -6.428 -13.602 0.325 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.749 -15.013 1.326 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.175 -14.988 2.795 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.006 -13.917 3.417 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -9.659 -16.041 3.264 1.00 0.00 O ATOM 0 H ASP A 87 -8.383 -13.707 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.576 -13.041 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.384 -15.719 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.729 -15.393 1.265 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.425 -11.794 1.246 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.185 -11.054 1.407 1.00 0.00 C ATOM 1273 C ALA A 88 -5.618 -11.315 2.804 1.00 0.00 C ATOM 1274 O ALA A 88 -6.248 -10.979 3.806 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.441 -9.567 1.150 1.00 0.00 C ATOM 0 H ALA A 88 -8.259 -11.304 1.570 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.442 -11.387 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.511 -9.012 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.815 -9.432 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.180 -9.197 1.861 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.435 -11.910 2.826 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.776 -12.220 4.083 1.00 0.00 C ATOM 1283 C VAL A 89 -3.956 -11.048 5.050 1.00 0.00 C ATOM 1284 O VAL A 89 -3.991 -11.241 6.265 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.307 -12.568 3.832 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.137 -14.063 3.554 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.732 -11.729 2.689 1.00 0.00 C ATOM 0 H VAL A 89 -3.915 -12.186 1.993 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.229 -13.097 4.546 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.747 -12.330 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.084 -14.283 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.490 -14.635 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.716 -14.337 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.687 -11.996 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.297 -11.921 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.802 -10.671 2.943 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.064 -9.859 4.476 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.240 -8.657 5.272 1.00 0.00 C ATOM 1299 C GLY A 90 -4.272 -7.411 4.384 1.00 0.00 C ATOM 1300 O GLY A 90 -4.085 -7.504 3.171 1.00 0.00 O ATOM 0 H GLY A 90 -4.033 -9.703 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.167 -8.726 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.428 -8.573 5.994 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.511 -6.275 5.021 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.570 -5.012 4.305 1.00 0.00 C ATOM 1306 C GLU A 91 -4.048 -3.876 5.187 1.00 0.00 C ATOM 1307 O GLU A 91 -3.818 -4.067 6.380 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.992 -4.722 3.821 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.844 -4.131 4.946 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.164 -2.659 4.677 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.316 -2.003 4.034 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -8.248 -2.224 5.120 1.00 0.00 O ATOM 0 H GLU A 91 -4.666 -6.202 6.026 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.930 -5.085 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.960 -4.028 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.451 -5.641 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.771 -4.697 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.315 -4.224 5.895 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.877 -2.718 4.565 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.387 -1.551 5.279 1.00 0.00 C ATOM 1321 C ALA A 92 -3.855 -0.285 4.559 1.00 0.00 C ATOM 1322 O ALA A 92 -3.866 -0.233 3.330 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.863 -1.627 5.395 1.00 0.00 C ATOM 0 H ALA A 92 -4.069 -2.563 3.575 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.790 -1.522 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.495 -0.752 5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.584 -2.529 5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.423 -1.654 4.398 1.00 0.00 H new ATOM 1329 N THR A 93 -4.230 0.705 5.355 1.00 0.00 N ATOM 1330 CA THR A 93 -4.698 1.968 4.809 1.00 0.00 C ATOM 1331 C THR A 93 -3.558 2.989 4.774 1.00 0.00 C ATOM 1332 O THR A 93 -3.044 3.386 5.818 1.00 0.00 O ATOM 1333 CB THR A 93 -5.899 2.426 5.639 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.922 1.490 5.315 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.459 3.769 5.166 1.00 0.00 C ATOM 0 H THR A 93 -4.219 0.659 6.374 1.00 0.00 H new ATOM 0 HA THR A 93 -5.024 1.856 3.775 1.00 0.00 H new ATOM 0 HB THR A 93 -5.608 2.503 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.737 1.712 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.309 4.048 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.686 4.533 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.781 3.684 4.128 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.197 3.384 3.562 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.128 4.350 3.377 1.00 0.00 C ATOM 1345 C ILE A 94 -2.725 5.684 2.924 1.00 0.00 C ATOM 1346 O ILE A 94 -3.046 5.857 1.749 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.065 3.797 2.426 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.439 2.518 2.987 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.010 4.859 2.107 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.572 1.362 1.993 1.00 0.00 C ATOM 0 H ILE A 94 -3.626 3.052 2.698 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.614 4.535 4.320 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.551 3.532 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.614 2.691 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.924 2.253 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.734 4.441 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.489 5.717 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.477 5.177 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.119 0.465 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.627 1.176 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.065 1.621 1.064 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.860 6.617 3.904 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.412 7.929 3.618 1.00 0.00 C ATOM 1364 C PRO A 95 -2.396 8.803 2.879 1.00 0.00 C ATOM 1365 O PRO A 95 -1.224 8.847 3.249 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.807 8.494 4.972 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.040 7.681 6.003 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.490 6.447 5.306 1.00 0.00 C ATOM 0 HA PRO A 95 -4.274 7.886 2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.554 9.552 5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.882 8.412 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.229 8.272 6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.694 7.395 6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.409 6.374 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.918 5.534 5.721 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.883 9.476 1.846 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.032 10.346 1.052 1.00 0.00 C ATOM 1378 C LEU A 96 -2.185 11.787 1.541 1.00 0.00 C ATOM 1379 O LEU A 96 -1.643 12.712 0.938 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.326 10.167 -0.439 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.530 8.727 -0.914 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.264 8.692 -2.256 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.200 7.973 -0.968 1.00 0.00 C ATOM 0 H LEU A 96 -3.856 9.436 1.541 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.984 10.076 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.221 10.740 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.503 10.603 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.161 8.214 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.396 7.657 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.240 9.167 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.680 9.227 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.374 6.952 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.524 8.476 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.753 7.953 0.026 1.00 0.00 H new ATOM 1395 N GLU A 97 -2.927 11.934 2.628 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.159 13.247 3.205 1.00 0.00 C ATOM 1397 C GLU A 97 -1.840 13.859 3.680 1.00 0.00 C ATOM 1398 O GLU A 97 -1.612 15.056 3.516 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.173 13.173 4.349 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.305 14.181 4.144 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.299 14.133 5.307 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -6.798 13.021 5.581 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -6.535 15.210 5.895 1.00 0.00 O ATOM 0 H GLU A 97 -3.376 11.165 3.125 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.579 13.892 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.585 12.166 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.672 13.371 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.891 15.185 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.823 13.967 3.209 1.00 0.00 H new ATOM 1410 N PRO A 98 -0.983 12.986 4.275 1.00 0.00 N ATOM 1411 CA PRO A 98 0.308 13.428 4.775 1.00 0.00 C ATOM 1412 C PRO A 98 1.290 13.662 3.626 1.00 0.00 C ATOM 1413 O PRO A 98 2.223 14.454 3.754 1.00 0.00 O ATOM 1414 CB PRO A 98 0.757 12.330 5.726 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.071 11.106 5.371 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.219 11.561 4.486 1.00 0.00 C ATOM 0 HA PRO A 98 0.254 14.387 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.822 12.127 5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.596 12.622 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.541 10.368 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.451 10.627 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.230 11.017 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.182 11.386 4.966 1.00 0.00 H new ATOM 1424 N VAL A 99 1.047 12.960 2.529 1.00 0.00 N ATOM 1425 CA VAL A 99 1.899 13.082 1.358 1.00 0.00 C ATOM 1426 C VAL A 99 1.380 14.215 0.471 1.00 0.00 C ATOM 1427 O VAL A 99 1.989 14.541 -0.546 1.00 0.00 O ATOM 1428 CB VAL A 99 1.979 11.740 0.627 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.814 11.579 -0.352 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.322 11.584 -0.088 1.00 0.00 C ATOM 0 H VAL A 99 0.272 12.305 2.426 1.00 0.00 H new ATOM 0 HA VAL A 99 2.917 13.339 1.651 1.00 0.00 H new ATOM 0 HB VAL A 99 1.903 10.948 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.895 10.617 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.129 11.624 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.845 12.381 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.352 10.622 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.442 12.386 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.130 11.633 0.642 1.00 0.00 H new ATOM 1440 N PHE A 100 0.259 14.786 0.890 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.348 15.876 0.147 1.00 0.00 C ATOM 1442 C PHE A 100 0.032 17.230 0.749 1.00 0.00 C ATOM 1443 O PHE A 100 0.146 18.223 0.032 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.864 15.695 0.246 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.415 14.564 -0.625 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.572 13.836 -1.406 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.746 14.286 -0.618 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.083 12.786 -2.214 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.257 13.236 -1.426 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.414 12.508 -2.207 1.00 0.00 C ATOM 0 H PHE A 100 -0.244 14.513 1.735 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.002 15.859 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.129 15.501 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.350 16.628 -0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.515 14.056 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.415 14.864 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.414 12.208 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.314 13.016 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.802 11.709 -2.822 1.00 0.00 H new ATOM 1460 N VAL A 101 0.219 17.226 2.061 1.00 0.00 N ATOM 1461 CA VAL A 101 0.584 18.442 2.768 1.00 0.00 C ATOM 1462 C VAL A 101 2.108 18.516 2.892 1.00 0.00 C ATOM 1463 O VAL A 101 2.685 19.602 2.849 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.128 18.494 4.121 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.588 18.057 3.989 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.607 17.646 5.161 1.00 0.00 C ATOM 0 H VAL A 101 0.125 16.400 2.653 1.00 0.00 H new ATOM 0 HA VAL A 101 0.259 19.320 2.210 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.118 19.528 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.071 18.103 4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.105 18.721 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.629 17.035 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.080 17.701 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.644 16.610 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.622 18.023 5.286 1.00 0.00 H new ATOM 1476 N GLU A 102 2.715 17.349 3.041 1.00 0.00 N ATOM 1477 CA GLU A 102 4.160 17.268 3.171 1.00 0.00 C ATOM 1478 C GLU A 102 4.818 17.278 1.790 1.00 0.00 C ATOM 1479 O GLU A 102 5.809 17.974 1.575 1.00 0.00 O ATOM 1480 CB GLU A 102 4.571 16.027 3.966 1.00 0.00 C ATOM 1481 CG GLU A 102 3.926 16.026 5.353 1.00 0.00 C ATOM 1482 CD GLU A 102 4.929 16.459 6.424 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.479 17.571 6.270 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.123 15.669 7.373 1.00 0.00 O ATOM 0 H GLU A 102 2.233 16.451 3.075 1.00 0.00 H new ATOM 0 HA GLU A 102 4.505 18.142 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.276 15.129 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.656 15.997 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.068 16.699 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.551 15.029 5.583 1.00 0.00 H new ATOM 1491 N GLY A 103 4.241 16.496 0.889 1.00 0.00 N ATOM 1492 CA GLY A 103 4.759 16.406 -0.466 1.00 0.00 C ATOM 1493 C GLY A 103 5.614 15.150 -0.643 1.00 0.00 C ATOM 1494 O GLY A 103 5.942 14.772 -1.766 1.00 0.00 O ATOM 0 H GLY A 103 3.420 15.919 1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.932 16.390 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.355 17.291 -0.691 1.00 0.00 H new ATOM 1498 N SER A 104 5.951 14.539 0.483 1.00 0.00 N ATOM 1499 CA SER A 104 6.762 13.333 0.466 1.00 0.00 C ATOM 1500 C SER A 104 6.741 12.669 1.844 1.00 0.00 C ATOM 1501 O SER A 104 6.990 13.322 2.856 1.00 0.00 O ATOM 1502 CB SER A 104 8.201 13.643 0.049 1.00 0.00 C ATOM 1503 OG SER A 104 8.781 14.667 0.852 1.00 0.00 O ATOM 0 H SER A 104 5.677 14.856 1.413 1.00 0.00 H new ATOM 0 HA SER A 104 6.339 12.647 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.803 12.738 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.217 13.950 -0.997 1.00 0.00 H new ATOM 0 HG SER A 104 8.413 14.620 1.759 1.00 0.00 H new ATOM 1509 N ILE A 105 6.440 11.378 1.839 1.00 0.00 N ATOM 1510 CA ILE A 105 6.383 10.618 3.076 1.00 0.00 C ATOM 1511 C ILE A 105 7.394 9.472 3.013 1.00 0.00 C ATOM 1512 O ILE A 105 7.535 8.820 1.979 1.00 0.00 O ATOM 1513 CB ILE A 105 4.950 10.160 3.357 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.998 11.354 3.440 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.890 9.290 4.614 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.484 12.371 4.475 1.00 0.00 C ATOM 0 H ILE A 105 6.233 10.840 0.998 1.00 0.00 H new ATOM 0 HA ILE A 105 6.665 11.245 3.922 1.00 0.00 H new ATOM 0 HB ILE A 105 4.619 9.543 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.922 11.832 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.998 11.009 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.861 8.978 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.518 8.410 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.248 9.862 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.790 13.210 4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.536 11.896 5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.473 12.732 4.194 1.00 0.00 H new ATOM 1528 N PRO A 106 8.090 9.256 4.161 1.00 0.00 N ATOM 1529 CA PRO A 106 9.084 8.200 4.246 1.00 0.00 C ATOM 1530 C PRO A 106 8.418 6.826 4.350 1.00 0.00 C ATOM 1531 O PRO A 106 7.206 6.733 4.537 1.00 0.00 O ATOM 1532 CB PRO A 106 9.924 8.546 5.464 1.00 0.00 C ATOM 1533 CG PRO A 106 9.089 9.518 6.283 1.00 0.00 C ATOM 1534 CD PRO A 106 7.949 10.008 5.404 1.00 0.00 C ATOM 0 HA PRO A 106 9.707 8.137 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.162 7.652 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.872 8.997 5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.700 9.029 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.699 10.356 6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 106 6.981 9.823 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.018 11.081 5.227 1.00 0.00 H new ATOM 1542 N PRO A 107 9.261 5.767 4.222 1.00 0.00 N ATOM 1543 CA PRO A 107 8.767 4.403 4.299 1.00 0.00 C ATOM 1544 C PRO A 107 8.447 4.017 5.745 1.00 0.00 C ATOM 1545 O PRO A 107 9.353 3.801 6.549 1.00 0.00 O ATOM 1546 CB PRO A 107 9.866 3.550 3.687 1.00 0.00 C ATOM 1547 CG PRO A 107 11.122 4.407 3.713 1.00 0.00 C ATOM 1548 CD PRO A 107 10.703 5.840 4.000 1.00 0.00 C ATOM 0 HA PRO A 107 7.829 4.265 3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.009 2.631 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.613 3.259 2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.812 4.050 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.645 4.346 2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.219 6.236 4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.942 6.498 3.164 1.00 0.00 H new ATOM 1556 N THR A 108 7.156 3.943 6.032 1.00 0.00 N ATOM 1557 CA THR A 108 6.705 3.587 7.367 1.00 0.00 C ATOM 1558 C THR A 108 5.823 2.338 7.317 1.00 0.00 C ATOM 1559 O THR A 108 5.088 2.131 6.352 1.00 0.00 O ATOM 1560 CB THR A 108 6.001 4.804 7.968 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.064 5.605 8.476 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.176 4.451 9.207 1.00 0.00 C ATOM 0 H THR A 108 6.408 4.123 5.363 1.00 0.00 H new ATOM 0 HA THR A 108 7.545 3.328 8.012 1.00 0.00 H new ATOM 0 HB THR A 108 5.353 5.255 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.696 6.417 8.883 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.697 5.351 9.594 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.413 3.720 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.829 4.030 9.971 1.00 0.00 H new ATOM 1570 N ALA A 109 5.925 1.537 8.367 1.00 0.00 N ATOM 1571 CA ALA A 109 5.146 0.314 8.455 1.00 0.00 C ATOM 1572 C ALA A 109 3.716 0.655 8.880 1.00 0.00 C ATOM 1573 O ALA A 109 3.468 0.969 10.043 1.00 0.00 O ATOM 1574 CB ALA A 109 5.825 -0.656 9.423 1.00 0.00 C ATOM 0 H ALA A 109 6.536 1.711 9.165 1.00 0.00 H new ATOM 0 HA ALA A 109 5.094 -0.178 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.240 -1.573 9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.827 -0.889 9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.893 -0.198 10.410 1.00 0.00 H new ATOM 1580 N TYR A 110 2.812 0.583 7.914 1.00 0.00 N ATOM 1581 CA TYR A 110 1.414 0.880 8.173 1.00 0.00 C ATOM 1582 C TYR A 110 0.701 -0.328 8.786 1.00 0.00 C ATOM 1583 O TYR A 110 0.823 -1.445 8.286 1.00 0.00 O ATOM 1584 CB TYR A 110 0.789 1.188 6.811 1.00 0.00 C ATOM 1585 CG TYR A 110 1.317 2.469 6.160 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.025 3.697 6.717 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.084 2.395 5.016 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.522 4.902 6.105 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.581 3.600 4.403 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.275 4.794 4.978 1.00 0.00 C ATOM 1591 OH TYR A 110 2.744 5.931 4.399 1.00 0.00 O ATOM 0 H TYR A 110 3.021 0.323 6.950 1.00 0.00 H new ATOM 0 HA TYR A 110 1.322 1.710 8.873 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.973 0.349 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.291 1.271 6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.424 3.755 7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.312 1.434 4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.302 5.869 6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.183 3.556 3.507 1.00 0.00 H new ATOM 0 HH TYR A 110 3.267 5.701 3.603 1.00 0.00 H new ATOM 1601 N ASN A 111 -0.028 -0.062 9.860 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.760 -1.113 10.546 1.00 0.00 C ATOM 1603 C ASN A 111 -1.472 -1.990 9.514 1.00 0.00 C ATOM 1604 O ASN A 111 -2.255 -1.492 8.706 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.820 -0.526 11.480 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.247 0.632 12.300 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.172 1.143 12.034 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -2.024 1.017 13.308 1.00 0.00 N ATOM 0 H ASN A 111 -0.127 0.866 10.272 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.047 -1.695 11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.671 -0.176 10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.190 -1.302 12.150 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.731 1.784 13.914 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.913 0.546 13.475 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.176 -3.280 9.575 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.778 -4.230 8.656 1.00 0.00 C ATOM 1617 C VAL A 112 -2.743 -5.136 9.425 1.00 0.00 C ATOM 1618 O VAL A 112 -2.316 -5.952 10.241 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.687 -5.009 7.919 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.262 -6.260 7.251 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.025 -4.120 6.897 1.00 0.00 C ATOM 0 H VAL A 112 -0.527 -3.689 10.247 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.358 -3.709 7.894 1.00 0.00 H new ATOM 0 HB VAL A 112 0.050 -5.331 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.465 -6.795 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.702 -6.908 8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.029 -5.969 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.796 -4.698 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.697 -3.754 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.484 -3.274 7.408 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.024 -4.961 9.138 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.052 -5.752 9.792 1.00 0.00 C ATOM 1633 C VAL A 113 -5.703 -6.683 8.767 1.00 0.00 C ATOM 1634 O VAL A 113 -5.469 -6.551 7.567 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.058 -4.832 10.488 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.696 -4.639 11.962 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.158 -3.486 9.767 1.00 0.00 C ATOM 0 H VAL A 113 -4.374 -4.283 8.461 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.614 -6.379 10.569 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.037 -5.310 10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.427 -3.981 12.433 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.699 -5.605 12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.704 -4.193 12.038 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.879 -2.851 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.182 -3.000 9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.484 -3.647 8.739 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.508 -7.603 9.278 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.195 -8.555 8.422 1.00 0.00 C ATOM 1649 C LYS A 114 -8.590 -8.830 8.987 1.00 0.00 C ATOM 1650 O LYS A 114 -8.771 -9.753 9.780 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.348 -9.815 8.235 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.170 -10.940 7.601 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.863 -10.460 6.324 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.661 -11.592 5.675 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.444 -11.082 4.527 1.00 0.00 N ATOM 0 H LYS A 114 -6.700 -7.709 10.274 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.332 -8.139 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.488 -9.589 7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.960 -10.143 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.521 -11.785 7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.916 -11.296 8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.528 -9.629 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.119 -10.085 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.983 -12.377 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.331 -12.040 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.527 -11.826 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.393 -10.805 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.963 -10.256 4.118 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.539 -8.012 8.558 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.912 -8.155 9.012 1.00 0.00 C ATOM 1671 C ASP A 115 -11.100 -7.368 10.310 1.00 0.00 C ATOM 1672 O ASP A 115 -12.220 -6.995 10.658 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.249 -9.620 9.294 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.708 -10.008 9.045 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.541 -9.671 9.913 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.957 -10.634 7.991 1.00 0.00 O ATOM 0 H ASP A 115 -9.385 -7.248 7.901 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.568 -7.779 8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.611 -10.250 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.002 -9.840 10.333 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.988 -7.139 10.992 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.016 -6.403 12.245 1.00 0.00 C ATOM 1683 C GLU A 116 -8.806 -6.773 13.105 1.00 0.00 C ATOM 1684 O GLU A 116 -8.420 -6.019 13.997 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.322 -6.656 13.000 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.717 -8.133 12.934 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.849 -8.728 14.337 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.828 -8.713 15.058 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.967 -9.186 14.657 1.00 0.00 O ATOM 0 H GLU A 116 -9.061 -7.450 10.701 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.965 -5.338 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.209 -6.352 14.041 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.117 -6.044 12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.662 -8.237 12.401 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.969 -8.688 12.368 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.240 -7.933 12.806 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.081 -8.412 13.541 1.00 0.00 C ATOM 1698 C GLU A 117 -5.795 -7.870 12.915 1.00 0.00 C ATOM 1699 O GLU A 117 -5.661 -7.836 11.693 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.061 -9.941 13.598 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.967 -10.460 14.716 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.896 -11.562 14.202 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -8.411 -12.380 13.390 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -10.070 -11.562 14.632 1.00 0.00 O ATOM 0 H GLU A 117 -8.562 -8.555 12.065 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.147 -8.044 14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.388 -10.348 12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.041 -10.289 13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.358 -10.845 15.533 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.559 -9.639 15.120 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.881 -7.458 13.782 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.610 -6.919 13.330 1.00 0.00 C ATOM 1713 C TYR A 118 -2.669 -8.038 12.879 1.00 0.00 C ATOM 1714 O TYR A 118 -2.236 -8.855 13.690 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.997 -6.211 14.540 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.732 -5.412 14.219 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.829 -4.195 13.575 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.495 -5.908 14.574 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.639 -3.444 13.273 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.696 -5.157 14.272 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.565 -3.961 13.636 1.00 0.00 C ATOM 1722 OH TYR A 118 1.689 -3.251 13.351 1.00 0.00 O ATOM 0 H TYR A 118 -4.996 -7.487 14.795 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.758 -6.248 12.484 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.740 -5.539 14.969 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.761 -6.954 15.302 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.798 -3.806 13.298 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.420 -6.860 15.079 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.701 -2.491 12.769 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.671 -5.534 14.544 1.00 0.00 H new ATOM 0 HH TYR A 118 2.475 -3.742 13.669 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.380 -8.040 11.586 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.498 -9.045 11.017 1.00 0.00 C ATOM 1734 C LYS A 119 -0.048 -8.575 11.143 1.00 0.00 C ATOM 1735 O LYS A 119 0.866 -9.391 11.256 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.916 -9.374 9.582 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.387 -9.787 9.521 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.612 -11.123 10.233 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.376 -10.923 11.544 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.025 -11.984 12.514 1.00 0.00 N ATOM 0 H LYS A 119 -2.741 -7.361 10.916 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.579 -9.981 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.751 -8.506 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.292 -10.179 9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.004 -9.016 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.703 -9.867 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.169 -11.797 9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.652 -11.597 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.140 -9.945 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.449 -10.937 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.552 -11.834 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.272 -12.913 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.004 -11.952 12.709 1.00 0.00 H new ATOM 1754 N GLY A 120 0.119 -7.261 11.118 1.00 0.00 N ATOM 1755 CA GLY A 120 1.443 -6.672 11.228 1.00 0.00 C ATOM 1756 C GLY A 120 1.454 -5.241 10.687 1.00 0.00 C ATOM 1757 O GLY A 120 0.544 -4.462 10.965 1.00 0.00 O ATOM 0 H GLY A 120 -0.641 -6.587 11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.759 -6.673 12.271 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.162 -7.278 10.677 1.00 0.00 H new ATOM 1761 N GLU A 121 2.494 -4.939 9.924 1.00 0.00 N ATOM 1762 CA GLU A 121 2.636 -3.615 9.342 1.00 0.00 C ATOM 1763 C GLU A 121 3.240 -3.714 7.940 1.00 0.00 C ATOM 1764 O GLU A 121 4.023 -4.620 7.660 1.00 0.00 O ATOM 1765 CB GLU A 121 3.479 -2.708 10.240 1.00 0.00 C ATOM 1766 CG GLU A 121 4.772 -3.407 10.664 1.00 0.00 C ATOM 1767 CD GLU A 121 5.422 -2.685 11.847 1.00 0.00 C ATOM 1768 OE1 GLU A 121 4.664 -2.298 12.762 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.663 -2.538 11.810 1.00 0.00 O ATOM 0 H GLU A 121 3.247 -5.588 9.695 1.00 0.00 H new ATOM 0 HA GLU A 121 1.645 -3.168 9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.717 -1.785 9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.905 -2.430 11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.559 -4.441 10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.467 -3.436 9.824 1.00 0.00 H new ATOM 1776 N ILE A 122 2.853 -2.769 7.095 1.00 0.00 N ATOM 1777 CA ILE A 122 3.346 -2.739 5.729 1.00 0.00 C ATOM 1778 C ILE A 122 4.151 -1.456 5.511 1.00 0.00 C ATOM 1779 O ILE A 122 3.630 -0.355 5.680 1.00 0.00 O ATOM 1780 CB ILE A 122 2.194 -2.918 4.739 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.720 -3.184 3.327 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.245 -1.718 4.779 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.569 -3.323 2.329 1.00 0.00 C ATOM 0 H ILE A 122 2.204 -2.019 7.331 1.00 0.00 H new ATOM 0 HA ILE A 122 4.022 -3.575 5.549 1.00 0.00 H new ATOM 0 HB ILE A 122 1.619 -3.794 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.375 -2.369 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.320 -4.094 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.435 -1.871 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.831 -1.615 5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.792 -0.812 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.971 -3.511 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.929 -4.154 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.985 -2.402 2.316 1.00 0.00 H new ATOM 1795 N TRP A 123 5.409 -1.641 5.138 1.00 0.00 N ATOM 1796 CA TRP A 123 6.291 -0.513 4.895 1.00 0.00 C ATOM 1797 C TRP A 123 6.047 -0.021 3.467 1.00 0.00 C ATOM 1798 O TRP A 123 6.164 -0.789 2.513 1.00 0.00 O ATOM 1799 CB TRP A 123 7.751 -0.891 5.155 1.00 0.00 C ATOM 1800 CG TRP A 123 8.074 -1.147 6.629 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.617 -2.133 7.414 1.00 0.00 C ATOM 1802 CD2 TRP A 123 8.948 -0.362 7.467 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.131 -2.040 8.692 1.00 0.00 N ATOM 1804 CE2 TRP A 123 8.965 -0.929 8.725 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.698 0.790 7.171 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.717 -0.413 9.787 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.444 1.293 8.244 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.473 0.734 9.516 1.00 0.00 C ATOM 0 H TRP A 123 5.838 -2.556 4.998 1.00 0.00 H new ATOM 0 HA TRP A 123 6.074 0.301 5.586 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.992 -1.785 4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.394 -0.092 4.786 1.00 0.00 H new ATOM 0 HD1 TRP A 123 6.933 -2.903 7.088 1.00 0.00 H new ATOM 0 HE1 TRP A 123 7.935 -2.671 9.469 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.699 1.250 6.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.714 -0.875 10.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.039 2.178 8.071 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.076 1.182 10.292 1.00 0.00 H new ATOM 1819 N VAL A 124 5.713 1.257 3.364 1.00 0.00 N ATOM 1820 CA VAL A 124 5.451 1.861 2.068 1.00 0.00 C ATOM 1821 C VAL A 124 5.711 3.366 2.150 1.00 0.00 C ATOM 1822 O VAL A 124 5.266 4.026 3.088 1.00 0.00 O ATOM 1823 CB VAL A 124 4.031 1.523 1.611 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.758 2.081 0.213 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.785 0.013 1.657 1.00 0.00 C ATOM 0 H VAL A 124 5.618 1.891 4.157 1.00 0.00 H new ATOM 0 HA VAL A 124 6.126 1.456 1.314 1.00 0.00 H new ATOM 0 HB VAL A 124 3.334 1.997 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.742 1.827 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.872 3.165 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.465 1.649 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.768 -0.200 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.493 -0.491 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.918 -0.346 2.677 1.00 0.00 H new ATOM 1835 N ALA A 125 6.429 3.865 1.155 1.00 0.00 N ATOM 1836 CA ALA A 125 6.753 5.281 1.103 1.00 0.00 C ATOM 1837 C ALA A 125 5.840 5.971 0.087 1.00 0.00 C ATOM 1838 O ALA A 125 5.582 5.433 -0.988 1.00 0.00 O ATOM 1839 CB ALA A 125 8.235 5.453 0.765 1.00 0.00 C ATOM 0 H ALA A 125 6.796 3.315 0.378 1.00 0.00 H new ATOM 0 HA ALA A 125 6.583 5.750 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.478 6.515 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.841 4.970 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.443 4.997 -0.203 1.00 0.00 H new ATOM 1845 N LEU A 126 5.375 7.153 0.465 1.00 0.00 N ATOM 1846 CA LEU A 126 4.497 7.923 -0.399 1.00 0.00 C ATOM 1847 C LEU A 126 5.212 9.202 -0.839 1.00 0.00 C ATOM 1848 O LEU A 126 5.855 9.867 -0.028 1.00 0.00 O ATOM 1849 CB LEU A 126 3.154 8.176 0.291 1.00 0.00 C ATOM 1850 CG LEU A 126 2.462 6.946 0.882 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.446 7.350 1.952 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.827 6.092 -0.218 1.00 0.00 C ATOM 0 H LEU A 126 5.590 7.596 1.358 1.00 0.00 H new ATOM 0 HA LEU A 126 4.265 7.361 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.310 8.900 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.479 8.637 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 126 3.218 6.331 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.968 6.457 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.955 7.884 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.689 7.997 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.342 5.224 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.087 6.684 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.599 5.759 -0.911 1.00 0.00 H new ATOM 1864 N SER A 127 5.077 9.506 -2.121 1.00 0.00 N ATOM 1865 CA SER A 127 5.703 10.693 -2.678 1.00 0.00 C ATOM 1866 C SER A 127 4.765 11.353 -3.690 1.00 0.00 C ATOM 1867 O SER A 127 4.721 10.955 -4.853 1.00 0.00 O ATOM 1868 CB SER A 127 7.041 10.353 -3.338 1.00 0.00 C ATOM 1869 OG SER A 127 8.143 10.606 -2.471 1.00 0.00 O ATOM 0 H SER A 127 4.543 8.951 -2.790 1.00 0.00 H new ATOM 0 HA SER A 127 5.898 11.391 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.044 9.303 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.155 10.939 -4.250 1.00 0.00 H new ATOM 0 HG SER A 127 8.979 10.375 -2.928 1.00 0.00 H new ATOM 1875 N PHE A 128 4.037 12.352 -3.211 1.00 0.00 N ATOM 1876 CA PHE A 128 3.103 13.071 -4.060 1.00 0.00 C ATOM 1877 C PHE A 128 3.836 14.057 -4.972 1.00 0.00 C ATOM 1878 O PHE A 128 4.936 14.504 -4.650 1.00 0.00 O ATOM 1879 CB PHE A 128 2.166 13.850 -3.135 1.00 0.00 C ATOM 1880 CG PHE A 128 0.998 14.525 -3.856 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.114 13.775 -4.567 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.843 15.874 -3.786 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.971 14.402 -5.237 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.241 16.501 -4.456 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.125 15.751 -5.167 1.00 0.00 C ATOM 0 H PHE A 128 4.076 12.680 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 128 2.560 12.369 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.770 13.170 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.742 14.610 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.237 12.703 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.545 16.469 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.673 13.807 -5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.363 17.573 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.950 16.227 -5.676 1.00 0.00 H new ATOM 1895 N LYS A 129 3.198 14.367 -6.091 1.00 0.00 N ATOM 1896 CA LYS A 129 3.776 15.291 -7.051 1.00 0.00 C ATOM 1897 C LYS A 129 2.682 16.221 -7.579 1.00 0.00 C ATOM 1898 O LYS A 129 2.010 15.901 -8.558 1.00 0.00 O ATOM 1899 CB LYS A 129 4.518 14.528 -8.150 1.00 0.00 C ATOM 1900 CG LYS A 129 5.897 14.074 -7.667 1.00 0.00 C ATOM 1901 CD LYS A 129 6.321 12.777 -8.359 1.00 0.00 C ATOM 1902 CE LYS A 129 7.793 12.465 -8.084 1.00 0.00 C ATOM 1903 NZ LYS A 129 7.941 11.753 -6.795 1.00 0.00 N ATOM 0 H LYS A 129 2.286 13.994 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 129 4.526 15.920 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.932 13.661 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.628 15.164 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.631 14.854 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.877 13.925 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.699 11.953 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.158 12.864 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.198 11.855 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.369 13.390 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.771 12.122 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.089 11.900 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.067 10.736 -6.973 1.00 0.00 H new ATOM 1917 N PRO A 130 2.534 17.385 -6.890 1.00 0.00 N ATOM 1918 CA PRO A 130 1.534 18.363 -7.279 1.00 0.00 C ATOM 1919 C PRO A 130 1.969 19.122 -8.535 1.00 0.00 C ATOM 1920 O PRO A 130 3.158 19.363 -8.738 1.00 0.00 O ATOM 1921 CB PRO A 130 1.372 19.265 -6.066 1.00 0.00 C ATOM 1922 CG PRO A 130 2.613 19.047 -5.216 1.00 0.00 C ATOM 1923 CD PRO A 130 3.313 17.797 -5.726 1.00 0.00 C ATOM 0 HA PRO A 130 0.582 17.906 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.282 20.309 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.469 19.014 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.276 19.909 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.342 18.931 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.348 18.005 -5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.333 17.016 -4.966 1.00 0.00 H new ATOM 1931 N SER A 131 0.982 19.478 -9.344 1.00 0.00 N ATOM 1932 CA SER A 131 1.248 20.204 -10.574 1.00 0.00 C ATOM 1933 C SER A 131 1.511 21.679 -10.264 1.00 0.00 C ATOM 1934 O SER A 131 0.596 22.500 -10.311 1.00 0.00 O ATOM 1935 CB SER A 131 0.083 20.068 -11.557 1.00 0.00 C ATOM 1936 OG SER A 131 0.403 20.597 -12.841 1.00 0.00 O ATOM 0 H SER A 131 -0.003 19.277 -9.172 1.00 0.00 H new ATOM 0 HA SER A 131 2.134 19.773 -11.041 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.188 19.017 -11.655 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.790 20.586 -11.159 1.00 0.00 H new ATOM 0 HG SER A 131 -0.365 20.490 -13.440 1.00 0.00 H new ATOM 1942 N GLY A 132 2.766 21.971 -9.955 1.00 0.00 N ATOM 1943 CA GLY A 132 3.161 23.333 -9.637 1.00 0.00 C ATOM 1944 C GLY A 132 3.159 24.211 -10.890 1.00 0.00 C ATOM 1945 O GLY A 132 2.358 23.999 -11.799 1.00 0.00 O ATOM 0 H GLY A 132 3.523 21.288 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.479 23.750 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 132 4.155 23.332 -9.191 1.00 0.00 H new ATOM 1949 N PRO A 133 4.088 25.203 -10.898 1.00 0.00 N ATOM 1950 CA PRO A 133 4.201 26.114 -12.025 1.00 0.00 C ATOM 1951 C PRO A 133 4.871 25.430 -13.218 1.00 0.00 C ATOM 1952 O PRO A 133 5.954 25.831 -13.640 1.00 0.00 O ATOM 1953 CB PRO A 133 4.995 27.297 -11.496 1.00 0.00 C ATOM 1954 CG PRO A 133 5.693 26.803 -10.239 1.00 0.00 C ATOM 1955 CD PRO A 133 5.053 25.484 -9.839 1.00 0.00 C ATOM 0 HA PRO A 133 3.231 26.439 -12.402 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.719 27.643 -12.234 1.00 0.00 H new ATOM 0 HB3 PRO A 133 4.340 28.139 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 133 6.759 26.670 -10.422 1.00 0.00 H new ATOM 0 HG3 PRO A 133 5.596 27.534 -9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 133 5.797 24.691 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 133 4.564 25.560 -8.868 1.00 0.00 H new ATOM 1963 N SER A 134 4.198 24.409 -13.728 1.00 0.00 N ATOM 1964 CA SER A 134 4.714 23.665 -14.865 1.00 0.00 C ATOM 1965 C SER A 134 6.000 22.935 -14.471 1.00 0.00 C ATOM 1966 O SER A 134 7.095 23.355 -14.841 1.00 0.00 O ATOM 1967 CB SER A 134 4.973 24.590 -16.056 1.00 0.00 C ATOM 1968 OG SER A 134 3.789 25.262 -16.477 1.00 0.00 O ATOM 0 H SER A 134 3.300 24.079 -13.375 1.00 0.00 H new ATOM 0 HA SER A 134 3.964 22.933 -15.164 1.00 0.00 H new ATOM 0 HB2 SER A 134 5.731 25.325 -15.786 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.375 24.009 -16.886 1.00 0.00 H new ATOM 0 HG SER A 134 3.996 25.844 -17.238 1.00 0.00 H new ATOM 1974 N SER A 135 5.824 21.853 -13.727 1.00 0.00 N ATOM 1975 CA SER A 135 6.956 21.060 -13.279 1.00 0.00 C ATOM 1976 C SER A 135 8.017 21.969 -12.655 1.00 0.00 C ATOM 1977 O SER A 135 8.835 22.552 -13.365 1.00 0.00 O ATOM 1978 CB SER A 135 7.557 20.257 -14.435 1.00 0.00 C ATOM 1979 OG SER A 135 7.813 21.073 -15.575 1.00 0.00 O ATOM 0 H SER A 135 4.914 21.507 -13.423 1.00 0.00 H new ATOM 0 HA SER A 135 6.604 20.354 -12.527 1.00 0.00 H new ATOM 0 HB2 SER A 135 8.486 19.790 -14.108 1.00 0.00 H new ATOM 0 HB3 SER A 135 6.875 19.452 -14.711 1.00 0.00 H new ATOM 0 HG SER A 135 8.125 21.955 -15.283 1.00 0.00 H new ATOM 1985 N GLY A 136 7.970 22.060 -11.334 1.00 0.00 N ATOM 1986 CA GLY A 136 8.918 22.887 -10.607 1.00 0.00 C ATOM 1987 C GLY A 136 8.706 24.369 -10.922 1.00 0.00 C ATOM 1988 O GLY A 136 9.290 24.896 -11.867 1.00 0.00 O ATOM 0 H GLY A 136 7.290 21.575 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 136 8.806 22.719 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 136 9.935 22.597 -10.870 1.00 0.00 H new TER 1992 GLY A 136