USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 732 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 64 TYR OH : rot 160:sc= 0.143 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -177:sc= 0.51 (180deg=0.218) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 162:sc= 0.944 (180deg=-0.0058) USER MOD Set 2.2: B 42 GLN : amide:sc= 1.05 K(o=2,f=-4.5!) USER MOD Single : A 31 THR OG1 : rot -114:sc= 1.15 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.504 K(o=-0.5,f=-3.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.432! X(o=-0.43!,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.08) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 178:sc= -0.234 (180deg=-0.245) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 1.12 (180deg=0.802) USER MOD Single : B 31 THR OG1 : rot 140:sc=-0.000634 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0.0457 USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.0763 X(o=0.076,f=0) USER MOD Single : B 45 LYS NZ :NH3+ -150:sc= 0.537 (180deg=-0.114) USER MOD Single : B 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0249) USER MOD Single : B 49 MET CE :methyl -177:sc= -0.412 (180deg=-0.473) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.215) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ -158:sc= 0.154 (180deg=-0.122) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -6.649 14.422 -13.002 1.00 0.00 N ATOM 2 CA THR A 31 -7.066 13.062 -12.598 1.00 0.00 C ATOM 3 C THR A 31 -6.328 12.534 -11.356 1.00 0.00 C ATOM 4 O THR A 31 -5.558 13.255 -10.714 1.00 0.00 O ATOM 5 CB THR A 31 -6.998 12.086 -13.786 1.00 0.00 C ATOM 6 OG1 THR A 31 -7.929 11.058 -13.550 1.00 0.00 O ATOM 7 CG2 THR A 31 -5.623 11.493 -14.092 1.00 0.00 C ATOM 0 HA THR A 31 -8.109 13.137 -12.290 1.00 0.00 H new ATOM 0 HB THR A 31 -7.231 12.670 -14.677 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.455 10.209 -13.428 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.698 10.822 -14.947 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.923 12.296 -14.322 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.265 10.937 -13.225 1.00 0.00 H new ATOM 15 N ARG A 32 -6.571 11.267 -10.990 1.00 0.00 N ATOM 16 CA ARG A 32 -5.950 10.554 -9.859 1.00 0.00 C ATOM 17 C ARG A 32 -4.514 10.155 -10.196 1.00 0.00 C ATOM 18 O ARG A 32 -4.216 9.023 -10.577 1.00 0.00 O ATOM 19 CB ARG A 32 -6.844 9.377 -9.424 1.00 0.00 C ATOM 20 CG ARG A 32 -7.910 9.761 -8.382 1.00 0.00 C ATOM 21 CD ARG A 32 -8.539 11.153 -8.530 1.00 0.00 C ATOM 22 NE ARG A 32 -9.820 11.229 -7.806 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.037 11.479 -6.529 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.086 11.774 -5.689 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.256 11.422 -6.087 1.00 0.00 N ATOM 0 H ARG A 32 -7.236 10.683 -11.496 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.875 11.216 -8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.340 8.965 -10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.215 8.587 -9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.708 9.020 -8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.460 9.693 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.854 11.909 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.699 11.374 -9.585 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.654 11.066 -8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.119 11.820 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.309 11.959 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.019 11.188 -6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.451 11.611 -5.104 1.00 0.00 H new ATOM 39 N ALA A 33 -3.639 11.139 -10.053 1.00 0.00 N ATOM 40 CA ALA A 33 -2.190 11.035 -10.022 1.00 0.00 C ATOM 41 C ALA A 33 -1.725 10.197 -8.811 1.00 0.00 C ATOM 42 O ALA A 33 -2.011 10.545 -7.661 1.00 0.00 O ATOM 43 CB ALA A 33 -1.667 12.473 -9.975 1.00 0.00 C ATOM 0 H ALA A 33 -3.949 12.105 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.799 10.518 -10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.577 12.463 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.005 13.012 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.046 12.969 -9.081 1.00 0.00 H new ATOM 49 N VAL A 34 -1.030 9.084 -9.061 1.00 0.00 N ATOM 50 CA VAL A 34 -0.578 8.096 -8.072 1.00 0.00 C ATOM 51 C VAL A 34 0.883 7.758 -8.327 1.00 0.00 C ATOM 52 O VAL A 34 1.203 6.980 -9.222 1.00 0.00 O ATOM 53 CB VAL A 34 -1.468 6.837 -8.048 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.987 5.825 -7.001 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.922 7.181 -7.690 1.00 0.00 C ATOM 0 H VAL A 34 -0.751 8.832 -10.009 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.669 8.537 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.406 6.413 -9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.638 4.951 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.034 5.520 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.014 6.284 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.520 6.270 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.954 7.644 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.325 7.873 -8.429 1.00 0.00 H new ATOM 65 N SER A 35 1.758 8.396 -7.548 1.00 0.00 N ATOM 66 CA SER A 35 3.220 8.335 -7.649 1.00 0.00 C ATOM 67 C SER A 35 3.855 7.547 -6.500 1.00 0.00 C ATOM 68 O SER A 35 3.655 7.877 -5.328 1.00 0.00 O ATOM 69 CB SER A 35 3.782 9.754 -7.703 1.00 0.00 C ATOM 70 OG SER A 35 5.179 9.744 -7.953 1.00 0.00 O ATOM 0 H SER A 35 1.451 9.003 -6.788 1.00 0.00 H new ATOM 0 HA SER A 35 3.470 7.802 -8.566 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.274 10.319 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.582 10.263 -6.760 1.00 0.00 H new ATOM 0 HG SER A 35 5.512 10.665 -7.984 1.00 0.00 H new ATOM 76 N LEU A 36 4.623 6.508 -6.837 1.00 0.00 N ATOM 77 CA LEU A 36 5.328 5.613 -5.916 1.00 0.00 C ATOM 78 C LEU A 36 6.840 5.568 -6.194 1.00 0.00 C ATOM 79 O LEU A 36 7.334 6.013 -7.235 1.00 0.00 O ATOM 80 CB LEU A 36 4.716 4.192 -5.987 1.00 0.00 C ATOM 81 CG LEU A 36 3.404 3.927 -5.226 1.00 0.00 C ATOM 82 CD1 LEU A 36 3.485 4.365 -3.761 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.171 4.548 -5.876 1.00 0.00 C ATOM 0 H LEU A 36 4.778 6.255 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 36 5.202 6.009 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.546 3.955 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.463 3.489 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 36 3.283 2.845 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.536 4.158 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.283 3.816 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.694 5.434 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.289 4.316 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.296 5.629 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.046 4.143 -6.880 1.00 0.00 H new ATOM 95 N TYR A 37 7.559 4.973 -5.241 1.00 0.00 N ATOM 96 CA TYR A 37 9.018 4.915 -5.147 1.00 0.00 C ATOM 97 C TYR A 37 9.486 3.453 -5.098 1.00 0.00 C ATOM 98 O TYR A 37 9.772 2.893 -4.036 1.00 0.00 O ATOM 99 CB TYR A 37 9.468 5.767 -3.949 1.00 0.00 C ATOM 100 CG TYR A 37 9.136 7.239 -4.117 1.00 0.00 C ATOM 101 CD1 TYR A 37 9.957 8.053 -4.922 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.980 7.782 -3.518 1.00 0.00 C ATOM 103 CE1 TYR A 37 9.630 9.408 -5.125 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.644 9.135 -3.727 1.00 0.00 C ATOM 105 CZ TYR A 37 8.471 9.952 -4.530 1.00 0.00 C ATOM 106 OH TYR A 37 8.157 11.261 -4.735 1.00 0.00 O ATOM 0 H TYR A 37 7.109 4.488 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 37 9.492 5.339 -6.032 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.991 5.393 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.544 5.655 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.840 7.637 -5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.351 7.160 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.266 10.031 -5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.755 9.547 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 37 7.329 11.478 -4.257 1.00 0.00 H new ATOM 116 N PHE A 38 9.488 2.810 -6.269 1.00 0.00 N ATOM 117 CA PHE A 38 9.998 1.468 -6.512 1.00 0.00 C ATOM 118 C PHE A 38 11.534 1.413 -6.366 1.00 0.00 C ATOM 119 O PHE A 38 12.208 2.445 -6.365 1.00 0.00 O ATOM 120 CB PHE A 38 9.564 1.091 -7.940 1.00 0.00 C ATOM 121 CG PHE A 38 8.142 0.566 -8.099 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.027 1.337 -7.708 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.929 -0.687 -8.706 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.722 0.854 -7.910 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.624 -1.179 -8.888 1.00 0.00 C ATOM 126 CZ PHE A 38 5.520 -0.409 -8.489 1.00 0.00 C ATOM 0 H PHE A 38 9.113 3.239 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 38 9.600 0.764 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.677 1.970 -8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.252 0.335 -8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.177 2.304 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.774 -1.274 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.874 1.456 -7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.471 -2.150 -9.335 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.518 -0.787 -8.627 1.00 0.00 H new ATOM 136 N SER A 39 12.097 0.203 -6.328 1.00 0.00 N ATOM 137 CA SER A 39 13.548 -0.038 -6.373 1.00 0.00 C ATOM 138 C SER A 39 13.938 -0.844 -7.609 1.00 0.00 C ATOM 139 O SER A 39 13.075 -1.341 -8.333 1.00 0.00 O ATOM 140 CB SER A 39 14.037 -0.692 -5.071 1.00 0.00 C ATOM 141 OG SER A 39 13.872 0.194 -3.973 1.00 0.00 O ATOM 0 H SER A 39 11.550 -0.655 -6.264 1.00 0.00 H new ATOM 0 HA SER A 39 14.051 0.925 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.482 -1.612 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.087 -0.967 -5.168 1.00 0.00 H new ATOM 0 HG SER A 39 14.187 -0.240 -3.153 1.00 0.00 H new ATOM 147 N ASP A 40 15.238 -0.919 -7.898 1.00 0.00 N ATOM 148 CA ASP A 40 15.749 -1.382 -9.190 1.00 0.00 C ATOM 149 C ASP A 40 15.254 -2.781 -9.587 1.00 0.00 C ATOM 150 O ASP A 40 14.880 -2.973 -10.740 1.00 0.00 O ATOM 151 CB ASP A 40 17.281 -1.268 -9.243 1.00 0.00 C ATOM 152 CG ASP A 40 18.015 -2.301 -8.371 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.972 -2.180 -7.125 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.648 -3.223 -8.937 1.00 0.00 O ATOM 0 H ASP A 40 15.971 -0.659 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 40 15.332 -0.715 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.608 -1.382 -10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.572 -0.267 -8.925 1.00 0.00 H new ATOM 159 N GLU A 41 15.195 -3.751 -8.673 1.00 0.00 N ATOM 160 CA GLU A 41 14.649 -5.092 -8.931 1.00 0.00 C ATOM 161 C GLU A 41 13.171 -5.066 -9.316 1.00 0.00 C ATOM 162 O GLU A 41 12.787 -5.607 -10.352 1.00 0.00 O ATOM 163 CB GLU A 41 14.820 -5.940 -7.670 1.00 0.00 C ATOM 164 CG GLU A 41 16.287 -6.291 -7.427 1.00 0.00 C ATOM 165 CD GLU A 41 16.712 -7.591 -8.143 1.00 0.00 C ATOM 166 OE1 GLU A 41 16.188 -7.888 -9.249 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.579 -8.322 -7.609 1.00 0.00 O ATOM 0 H GLU A 41 15.529 -3.629 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 41 15.195 -5.514 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.427 -5.398 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.236 -6.856 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.915 -5.469 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.459 -6.397 -6.356 1.00 0.00 H new ATOM 174 N GLN A 42 12.352 -4.419 -8.487 1.00 0.00 N ATOM 175 CA GLN A 42 10.916 -4.206 -8.705 1.00 0.00 C ATOM 176 C GLN A 42 10.662 -3.549 -10.075 1.00 0.00 C ATOM 177 O GLN A 42 9.845 -4.029 -10.858 1.00 0.00 O ATOM 178 CB GLN A 42 10.309 -3.371 -7.559 1.00 0.00 C ATOM 179 CG GLN A 42 10.240 -4.062 -6.183 1.00 0.00 C ATOM 180 CD GLN A 42 11.590 -4.470 -5.595 1.00 0.00 C ATOM 181 OE1 GLN A 42 12.576 -3.753 -5.670 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.700 -5.639 -5.001 1.00 0.00 N ATOM 0 H GLN A 42 12.680 -4.012 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 42 10.421 -5.177 -8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.892 -2.456 -7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.300 -3.076 -7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.743 -3.392 -5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.616 -4.951 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.888 -6.252 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.597 -5.932 -4.613 1.00 0.00 H new ATOM 191 N TYR A 43 11.406 -2.489 -10.400 1.00 0.00 N ATOM 192 CA TYR A 43 11.333 -1.770 -11.677 1.00 0.00 C ATOM 193 C TYR A 43 11.673 -2.677 -12.860 1.00 0.00 C ATOM 194 O TYR A 43 10.954 -2.746 -13.856 1.00 0.00 O ATOM 195 CB TYR A 43 12.328 -0.607 -11.626 1.00 0.00 C ATOM 196 CG TYR A 43 11.994 0.538 -12.561 1.00 0.00 C ATOM 197 CD1 TYR A 43 11.117 1.556 -12.140 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.559 0.581 -13.850 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.818 2.632 -13.001 1.00 0.00 C ATOM 200 CE2 TYR A 43 12.261 1.654 -14.712 1.00 0.00 C ATOM 201 CZ TYR A 43 11.390 2.683 -14.291 1.00 0.00 C ATOM 202 OH TYR A 43 11.110 3.717 -15.130 1.00 0.00 O ATOM 0 H TYR A 43 12.098 -2.094 -9.763 1.00 0.00 H new ATOM 0 HA TYR A 43 10.314 -1.412 -11.821 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.373 -0.227 -10.606 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.322 -0.983 -11.870 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.673 1.513 -11.157 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.220 -0.208 -14.177 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.152 3.417 -12.674 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.700 1.690 -15.698 1.00 0.00 H new ATOM 0 HH TYR A 43 11.590 3.592 -15.975 1.00 0.00 H new ATOM 212 N GLN A 44 12.789 -3.389 -12.723 1.00 0.00 N ATOM 213 CA GLN A 44 13.336 -4.295 -13.732 1.00 0.00 C ATOM 214 C GLN A 44 12.408 -5.473 -14.021 1.00 0.00 C ATOM 215 O GLN A 44 12.198 -5.798 -15.184 1.00 0.00 O ATOM 216 CB GLN A 44 14.724 -4.809 -13.333 1.00 0.00 C ATOM 217 CG GLN A 44 15.823 -3.791 -13.681 1.00 0.00 C ATOM 218 CD GLN A 44 17.172 -4.182 -13.085 1.00 0.00 C ATOM 219 OE1 GLN A 44 18.109 -4.576 -13.770 1.00 0.00 O ATOM 220 NE2 GLN A 44 17.314 -4.076 -11.783 1.00 0.00 N ATOM 0 H GLN A 44 13.358 -3.350 -11.877 1.00 0.00 H new ATOM 0 HA GLN A 44 13.428 -3.710 -14.647 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.743 -5.015 -12.263 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.925 -5.751 -13.843 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.914 -3.712 -14.764 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.535 -2.806 -13.313 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.536 -3.748 -11.210 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.202 -4.321 -11.345 1.00 0.00 H new ATOM 229 N LYS A 45 11.817 -6.102 -12.998 1.00 0.00 N ATOM 230 CA LYS A 45 10.800 -7.144 -13.147 1.00 0.00 C ATOM 231 C LYS A 45 9.579 -6.628 -13.917 1.00 0.00 C ATOM 232 O LYS A 45 9.116 -7.309 -14.830 1.00 0.00 O ATOM 233 CB LYS A 45 10.413 -7.676 -11.761 1.00 0.00 C ATOM 234 CG LYS A 45 10.975 -9.066 -11.407 1.00 0.00 C ATOM 235 CD LYS A 45 12.401 -9.091 -10.831 1.00 0.00 C ATOM 236 CE LYS A 45 13.491 -8.807 -11.872 1.00 0.00 C ATOM 237 NZ LYS A 45 14.850 -9.111 -11.347 1.00 0.00 N ATOM 0 H LYS A 45 12.039 -5.895 -12.024 1.00 0.00 H new ATOM 0 HA LYS A 45 11.213 -7.964 -13.734 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.752 -6.963 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.326 -7.715 -11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.305 -9.534 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.957 -9.683 -12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.473 -8.354 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.585 -10.067 -10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.305 -9.403 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.443 -7.760 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.553 -8.971 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.065 -8.477 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.884 -10.098 -11.021 1.00 0.00 H new ATOM 251 N LEU A 46 9.085 -5.421 -13.612 1.00 0.00 N ATOM 252 CA LEU A 46 7.987 -4.812 -14.366 1.00 0.00 C ATOM 253 C LEU A 46 8.364 -4.522 -15.824 1.00 0.00 C ATOM 254 O LEU A 46 7.600 -4.835 -16.733 1.00 0.00 O ATOM 255 CB LEU A 46 7.538 -3.549 -13.632 1.00 0.00 C ATOM 256 CG LEU A 46 6.470 -3.757 -12.546 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.049 -3.818 -13.119 1.00 0.00 C ATOM 258 CD2 LEU A 46 6.642 -4.969 -11.633 1.00 0.00 C ATOM 0 H LEU A 46 9.432 -4.846 -12.844 1.00 0.00 H new ATOM 0 HA LEU A 46 7.159 -5.519 -14.418 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.412 -3.087 -13.173 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.152 -2.842 -14.366 1.00 0.00 H new ATOM 0 HG LEU A 46 6.622 -2.869 -11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.336 -3.966 -12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.824 -2.884 -13.634 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.976 -4.647 -13.823 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.824 -5.001 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.634 -5.880 -12.232 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.591 -4.893 -11.102 1.00 0.00 H new ATOM 270 N GLU A 47 9.557 -3.985 -16.071 1.00 0.00 N ATOM 271 CA GLU A 47 10.083 -3.789 -17.427 1.00 0.00 C ATOM 272 C GLU A 47 10.276 -5.113 -18.187 1.00 0.00 C ATOM 273 O GLU A 47 9.963 -5.193 -19.375 1.00 0.00 O ATOM 274 CB GLU A 47 11.375 -2.964 -17.357 1.00 0.00 C ATOM 275 CG GLU A 47 11.894 -2.556 -18.741 1.00 0.00 C ATOM 276 CD GLU A 47 13.140 -1.657 -18.619 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.268 -2.193 -18.480 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.005 -0.410 -18.674 1.00 0.00 O ATOM 0 H GLU A 47 10.191 -3.671 -15.336 1.00 0.00 H new ATOM 0 HA GLU A 47 9.343 -3.235 -18.005 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.197 -2.068 -16.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.142 -3.542 -16.842 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.139 -3.447 -19.319 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.112 -2.028 -19.286 1.00 0.00 H new ATOM 285 N LYS A 48 10.728 -6.175 -17.512 1.00 0.00 N ATOM 286 CA LYS A 48 10.938 -7.511 -18.080 1.00 0.00 C ATOM 287 C LYS A 48 9.621 -8.196 -18.452 1.00 0.00 C ATOM 288 O LYS A 48 9.564 -8.894 -19.464 1.00 0.00 O ATOM 289 CB LYS A 48 11.783 -8.363 -17.115 1.00 0.00 C ATOM 290 CG LYS A 48 12.295 -9.652 -17.776 1.00 0.00 C ATOM 291 CD LYS A 48 13.231 -10.426 -16.835 1.00 0.00 C ATOM 292 CE LYS A 48 13.923 -11.607 -17.535 1.00 0.00 C ATOM 293 NZ LYS A 48 12.971 -12.682 -17.928 1.00 0.00 N ATOM 0 H LYS A 48 10.966 -6.127 -16.521 1.00 0.00 H new ATOM 0 HA LYS A 48 11.489 -7.402 -19.014 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.631 -7.776 -16.762 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.186 -8.618 -16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.450 -10.283 -18.052 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.823 -9.406 -18.697 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.987 -9.747 -16.441 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.660 -10.796 -15.983 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.441 -11.244 -18.423 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.681 -12.024 -16.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.491 -13.452 -18.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.494 -13.050 -17.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.262 -12.295 -18.584 1.00 0.00 H new ATOM 307 N MET A 49 8.548 -7.949 -17.696 1.00 0.00 N ATOM 308 CA MET A 49 7.193 -8.311 -18.070 1.00 0.00 C ATOM 309 C MET A 49 6.727 -7.493 -19.285 1.00 0.00 C ATOM 310 O MET A 49 6.270 -8.050 -20.281 1.00 0.00 O ATOM 311 CB MET A 49 6.289 -8.033 -16.871 1.00 0.00 C ATOM 312 CG MET A 49 6.292 -9.111 -15.782 1.00 0.00 C ATOM 313 SD MET A 49 4.732 -9.161 -14.855 1.00 0.00 S ATOM 314 CE MET A 49 4.745 -7.492 -14.152 1.00 0.00 C ATOM 0 H MET A 49 8.606 -7.482 -16.791 1.00 0.00 H new ATOM 0 HA MET A 49 7.151 -9.365 -18.346 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.590 -7.086 -16.422 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.268 -7.905 -17.229 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.472 -10.084 -16.238 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.116 -8.925 -15.093 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.834 -7.333 -13.575 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.611 -7.378 -13.501 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.797 -6.759 -14.957 1.00 0.00 H new ATOM 324 N ALA A 50 6.884 -6.169 -19.226 1.00 0.00 N ATOM 325 CA ALA A 50 6.461 -5.232 -20.261 1.00 0.00 C ATOM 326 C ALA A 50 7.166 -5.432 -21.610 1.00 0.00 C ATOM 327 O ALA A 50 6.564 -5.178 -22.648 1.00 0.00 O ATOM 328 CB ALA A 50 6.642 -3.814 -19.721 1.00 0.00 C ATOM 0 H ALA A 50 7.324 -5.708 -18.430 1.00 0.00 H new ATOM 0 HA ALA A 50 5.411 -5.420 -20.484 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.332 -3.094 -20.478 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.033 -3.685 -18.826 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.691 -3.650 -19.473 1.00 0.00 H new ATOM 334 N ASN A 51 8.395 -5.948 -21.632 1.00 0.00 N ATOM 335 CA ASN A 51 9.119 -6.355 -22.840 1.00 0.00 C ATOM 336 C ASN A 51 8.340 -7.390 -23.682 1.00 0.00 C ATOM 337 O ASN A 51 8.459 -7.406 -24.906 1.00 0.00 O ATOM 338 CB ASN A 51 10.495 -6.869 -22.390 1.00 0.00 C ATOM 339 CG ASN A 51 11.367 -7.364 -23.534 1.00 0.00 C ATOM 340 OD1 ASN A 51 12.069 -6.609 -24.191 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.388 -8.655 -23.786 1.00 0.00 N ATOM 0 H ASN A 51 8.934 -6.100 -20.780 1.00 0.00 H new ATOM 0 HA ASN A 51 9.239 -5.504 -23.510 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.018 -6.069 -21.866 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.354 -7.680 -21.675 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.988 -9.021 -24.526 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.805 -9.290 -23.242 1.00 0.00 H new ATOM 348 N GLU A 52 7.490 -8.209 -23.053 1.00 0.00 N ATOM 349 CA GLU A 52 6.594 -9.153 -23.730 1.00 0.00 C ATOM 350 C GLU A 52 5.451 -8.444 -24.493 1.00 0.00 C ATOM 351 O GLU A 52 5.017 -8.904 -25.550 1.00 0.00 O ATOM 352 CB GLU A 52 6.032 -10.150 -22.700 1.00 0.00 C ATOM 353 CG GLU A 52 5.462 -11.438 -23.311 1.00 0.00 C ATOM 354 CD GLU A 52 6.562 -12.331 -23.920 1.00 0.00 C ATOM 355 OE1 GLU A 52 7.211 -13.101 -23.171 1.00 0.00 O ATOM 356 OE2 GLU A 52 6.780 -12.281 -25.155 1.00 0.00 O ATOM 0 H GLU A 52 7.404 -8.235 -22.037 1.00 0.00 H new ATOM 0 HA GLU A 52 7.175 -9.688 -24.481 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.823 -10.414 -21.999 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.248 -9.657 -22.125 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.927 -11.997 -22.543 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.736 -11.182 -24.083 1.00 0.00 H new ATOM 363 N GLU A 53 4.993 -7.291 -23.990 1.00 0.00 N ATOM 364 CA GLU A 53 4.029 -6.379 -24.614 1.00 0.00 C ATOM 365 C GLU A 53 4.705 -5.283 -25.472 1.00 0.00 C ATOM 366 O GLU A 53 4.021 -4.455 -26.076 1.00 0.00 O ATOM 367 CB GLU A 53 3.182 -5.759 -23.493 1.00 0.00 C ATOM 368 CG GLU A 53 2.093 -6.700 -22.956 1.00 0.00 C ATOM 369 CD GLU A 53 0.987 -6.971 -23.998 1.00 0.00 C ATOM 370 OE1 GLU A 53 0.111 -6.096 -24.204 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.974 -8.067 -24.610 1.00 0.00 O ATOM 0 H GLU A 53 5.305 -6.950 -23.081 1.00 0.00 H new ATOM 0 HA GLU A 53 3.404 -6.943 -25.306 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.837 -5.468 -22.672 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.713 -4.848 -23.864 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.547 -7.645 -22.658 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.648 -6.264 -22.062 1.00 0.00 H new ATOM 378 N GLU A 54 6.041 -5.299 -25.554 1.00 0.00 N ATOM 379 CA GLU A 54 6.923 -4.389 -26.306 1.00 0.00 C ATOM 380 C GLU A 54 7.118 -3.026 -25.598 1.00 0.00 C ATOM 381 O GLU A 54 6.972 -1.948 -26.177 1.00 0.00 O ATOM 382 CB GLU A 54 6.520 -4.312 -27.794 1.00 0.00 C ATOM 383 CG GLU A 54 7.715 -3.955 -28.684 1.00 0.00 C ATOM 384 CD GLU A 54 7.283 -3.805 -30.156 1.00 0.00 C ATOM 385 OE1 GLU A 54 7.267 -4.820 -30.896 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.966 -2.671 -30.594 1.00 0.00 O ATOM 0 H GLU A 54 6.581 -6.007 -25.056 1.00 0.00 H new ATOM 0 HA GLU A 54 7.926 -4.816 -26.311 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.104 -5.269 -28.109 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.735 -3.566 -27.921 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.166 -3.025 -28.337 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.478 -4.729 -28.602 1.00 0.00 H new ATOM 393 N GLU A 55 7.477 -3.102 -24.313 1.00 0.00 N ATOM 394 CA GLU A 55 7.787 -2.022 -23.363 1.00 0.00 C ATOM 395 C GLU A 55 6.673 -0.969 -23.205 1.00 0.00 C ATOM 396 O GLU A 55 6.702 0.135 -23.753 1.00 0.00 O ATOM 397 CB GLU A 55 9.157 -1.379 -23.619 1.00 0.00 C ATOM 398 CG GLU A 55 10.338 -2.354 -23.750 1.00 0.00 C ATOM 399 CD GLU A 55 10.583 -2.790 -25.211 1.00 0.00 C ATOM 400 OE1 GLU A 55 11.159 -1.993 -25.993 1.00 0.00 O ATOM 401 OE2 GLU A 55 10.235 -3.937 -25.577 1.00 0.00 O ATOM 0 H GLU A 55 7.568 -4.013 -23.864 1.00 0.00 H new ATOM 0 HA GLU A 55 7.843 -2.523 -22.397 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.095 -0.788 -24.533 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.370 -0.686 -22.805 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.240 -1.883 -23.358 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.147 -3.235 -23.138 1.00 0.00 H new ATOM 408 N SER A 56 5.704 -1.320 -22.364 1.00 0.00 N ATOM 409 CA SER A 56 4.506 -0.557 -21.988 1.00 0.00 C ATOM 410 C SER A 56 4.472 -0.230 -20.485 1.00 0.00 C ATOM 411 O SER A 56 3.402 -0.068 -19.904 1.00 0.00 O ATOM 412 CB SER A 56 3.268 -1.355 -22.421 1.00 0.00 C ATOM 413 OG SER A 56 3.261 -2.639 -21.810 1.00 0.00 O ATOM 0 H SER A 56 5.734 -2.220 -21.885 1.00 0.00 H new ATOM 0 HA SER A 56 4.521 0.406 -22.499 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.364 -0.811 -22.147 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.259 -1.462 -23.506 1.00 0.00 H new ATOM 0 HG SER A 56 2.464 -3.133 -22.096 1.00 0.00 H new ATOM 419 N VAL A 57 5.639 -0.176 -19.828 1.00 0.00 N ATOM 420 CA VAL A 57 5.834 -0.382 -18.374 1.00 0.00 C ATOM 421 C VAL A 57 4.815 0.342 -17.481 1.00 0.00 C ATOM 422 O VAL A 57 4.175 -0.294 -16.645 1.00 0.00 O ATOM 423 CB VAL A 57 7.270 -0.033 -17.912 1.00 0.00 C ATOM 424 CG1 VAL A 57 7.585 -0.738 -16.587 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.363 -0.422 -18.920 1.00 0.00 C ATOM 0 H VAL A 57 6.516 0.021 -20.311 1.00 0.00 H new ATOM 0 HA VAL A 57 5.665 -1.451 -18.244 1.00 0.00 H new ATOM 0 HB VAL A 57 7.283 1.052 -17.808 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.597 -0.485 -16.272 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.876 -0.414 -15.825 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.506 -1.817 -16.721 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.339 -0.145 -18.523 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.333 -1.498 -19.092 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.192 0.100 -19.861 1.00 0.00 H new ATOM 435 N GLY A 58 4.622 1.651 -17.674 1.00 0.00 N ATOM 436 CA GLY A 58 3.690 2.491 -16.901 1.00 0.00 C ATOM 437 C GLY A 58 2.232 2.023 -16.973 1.00 0.00 C ATOM 438 O GLY A 58 1.508 2.049 -15.976 1.00 0.00 O ATOM 0 H GLY A 58 5.123 2.174 -18.392 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.007 2.504 -15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.751 3.516 -17.266 1.00 0.00 H new ATOM 442 N SER A 59 1.808 1.547 -18.144 1.00 0.00 N ATOM 443 CA SER A 59 0.525 0.890 -18.371 1.00 0.00 C ATOM 444 C SER A 59 0.512 -0.538 -17.836 1.00 0.00 C ATOM 445 O SER A 59 -0.505 -0.960 -17.298 1.00 0.00 O ATOM 446 CB SER A 59 0.240 0.825 -19.870 1.00 0.00 C ATOM 447 OG SER A 59 0.244 2.113 -20.472 1.00 0.00 O ATOM 0 H SER A 59 2.372 1.612 -18.991 1.00 0.00 H new ATOM 0 HA SER A 59 -0.231 1.474 -17.846 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.988 0.197 -20.354 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.728 0.352 -20.034 1.00 0.00 H new ATOM 0 HG SER A 59 0.059 2.027 -21.431 1.00 0.00 H new ATOM 453 N TYR A 60 1.618 -1.285 -17.941 1.00 0.00 N ATOM 454 CA TYR A 60 1.721 -2.661 -17.434 1.00 0.00 C ATOM 455 C TYR A 60 1.493 -2.728 -15.918 1.00 0.00 C ATOM 456 O TYR A 60 0.760 -3.583 -15.427 1.00 0.00 O ATOM 457 CB TYR A 60 3.078 -3.280 -17.802 1.00 0.00 C ATOM 458 CG TYR A 60 3.016 -4.792 -17.941 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.850 -5.613 -16.806 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.077 -5.380 -19.220 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.717 -7.009 -16.951 1.00 0.00 C ATOM 462 CE2 TYR A 60 2.993 -6.777 -19.364 1.00 0.00 C ATOM 463 CZ TYR A 60 2.796 -7.596 -18.232 1.00 0.00 C ATOM 464 OH TYR A 60 2.698 -8.945 -18.384 1.00 0.00 O ATOM 0 H TYR A 60 2.474 -0.950 -18.383 1.00 0.00 H new ATOM 0 HA TYR A 60 0.932 -3.242 -17.913 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.428 -2.847 -18.739 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.810 -3.019 -17.038 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.825 -5.170 -15.821 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.189 -4.755 -20.094 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.555 -7.629 -16.082 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.080 -7.224 -20.343 1.00 0.00 H new ATOM 0 HH TYR A 60 2.773 -9.173 -19.334 1.00 0.00 H new ATOM 474 N ILE A 61 2.068 -1.770 -15.185 1.00 0.00 N ATOM 475 CA ILE A 61 1.838 -1.541 -13.747 1.00 0.00 C ATOM 476 C ILE A 61 0.337 -1.448 -13.466 1.00 0.00 C ATOM 477 O ILE A 61 -0.214 -2.229 -12.686 1.00 0.00 O ATOM 478 CB ILE A 61 2.566 -0.251 -13.291 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.098 -0.420 -13.322 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.141 0.191 -11.877 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.822 0.917 -13.478 1.00 0.00 C ATOM 0 H ILE A 61 2.731 -1.107 -15.587 1.00 0.00 H new ATOM 0 HA ILE A 61 2.242 -2.380 -13.181 1.00 0.00 H new ATOM 0 HB ILE A 61 2.273 0.521 -14.002 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.427 -0.905 -12.403 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.373 -1.079 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.678 1.099 -11.603 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.069 0.386 -11.864 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.375 -0.599 -11.163 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.899 0.748 -13.495 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.515 1.391 -14.410 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.570 1.567 -12.640 1.00 0.00 H new ATOM 493 N LYS A 62 -0.331 -0.503 -14.137 1.00 0.00 N ATOM 494 CA LYS A 62 -1.764 -0.249 -13.984 1.00 0.00 C ATOM 495 C LYS A 62 -2.597 -1.480 -14.369 1.00 0.00 C ATOM 496 O LYS A 62 -3.476 -1.894 -13.621 1.00 0.00 O ATOM 497 CB LYS A 62 -2.123 1.005 -14.802 1.00 0.00 C ATOM 498 CG LYS A 62 -3.452 1.636 -14.367 1.00 0.00 C ATOM 499 CD LYS A 62 -3.726 2.906 -15.189 1.00 0.00 C ATOM 500 CE LYS A 62 -4.955 3.675 -14.689 1.00 0.00 C ATOM 501 NZ LYS A 62 -6.233 2.974 -14.986 1.00 0.00 N ATOM 0 H LYS A 62 0.118 0.116 -14.812 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.004 -0.059 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.326 1.741 -14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.179 0.741 -15.858 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.265 0.922 -14.503 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.417 1.881 -13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.853 3.557 -15.148 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.872 2.634 -16.234 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.870 3.826 -13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.972 4.663 -15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.988 3.357 -14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.483 3.117 -15.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.123 1.957 -14.799 1.00 0.00 H new ATOM 515 N ARG A 63 -2.266 -2.130 -15.488 1.00 0.00 N ATOM 516 CA ARG A 63 -2.862 -3.383 -15.981 1.00 0.00 C ATOM 517 C ARG A 63 -2.777 -4.502 -14.945 1.00 0.00 C ATOM 518 O ARG A 63 -3.750 -5.226 -14.782 1.00 0.00 O ATOM 519 CB ARG A 63 -2.189 -3.774 -17.311 1.00 0.00 C ATOM 520 CG ARG A 63 -2.752 -5.030 -17.998 1.00 0.00 C ATOM 521 CD ARG A 63 -4.195 -4.851 -18.484 1.00 0.00 C ATOM 522 NE ARG A 63 -4.628 -6.017 -19.282 1.00 0.00 N ATOM 523 CZ ARG A 63 -5.334 -6.025 -20.401 1.00 0.00 C ATOM 524 NH1 ARG A 63 -5.792 -4.934 -20.947 1.00 0.00 N ATOM 525 NH2 ARG A 63 -5.597 -7.149 -21.004 1.00 0.00 N ATOM 0 H ARG A 63 -1.537 -1.781 -16.110 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.925 -3.222 -16.159 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.275 -2.935 -18.001 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.126 -3.928 -17.128 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.118 -5.288 -18.846 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.710 -5.868 -17.302 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.858 -4.723 -17.629 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.271 -3.945 -19.085 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.347 -6.930 -18.925 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.610 -4.030 -20.511 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.332 -4.984 -21.811 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.258 -8.028 -20.614 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.142 -7.150 -21.866 1.00 0.00 H new ATOM 539 N TYR A 64 -1.674 -4.628 -14.206 1.00 0.00 N ATOM 540 CA TYR A 64 -1.495 -5.669 -13.186 1.00 0.00 C ATOM 541 C TYR A 64 -2.408 -5.473 -11.969 1.00 0.00 C ATOM 542 O TYR A 64 -3.019 -6.409 -11.454 1.00 0.00 O ATOM 543 CB TYR A 64 -0.027 -5.732 -12.746 1.00 0.00 C ATOM 544 CG TYR A 64 0.343 -7.140 -12.325 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.038 -7.618 -11.056 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.928 -8.015 -13.258 1.00 0.00 C ATOM 547 CE1 TYR A 64 0.123 -8.979 -10.737 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.117 -9.372 -12.934 1.00 0.00 C ATOM 549 CZ TYR A 64 0.700 -9.859 -11.677 1.00 0.00 C ATOM 550 OH TYR A 64 0.763 -11.194 -11.419 1.00 0.00 O ATOM 0 H TYR A 64 -0.871 -4.006 -14.297 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.781 -6.616 -13.645 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.618 -5.410 -13.564 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.140 -5.043 -11.918 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.454 -6.939 -10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.233 -7.645 -14.226 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.195 -9.350 -9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.580 -10.039 -13.646 1.00 0.00 H new ATOM 0 HH TYR A 64 0.881 -11.684 -12.259 1.00 0.00 H new ATOM 560 N ILE A 65 -2.542 -4.221 -11.549 1.00 0.00 N ATOM 561 CA ILE A 65 -3.482 -3.771 -10.512 1.00 0.00 C ATOM 562 C ILE A 65 -4.919 -4.036 -10.952 1.00 0.00 C ATOM 563 O ILE A 65 -5.718 -4.537 -10.168 1.00 0.00 O ATOM 564 CB ILE A 65 -3.255 -2.283 -10.176 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.890 -2.066 -9.494 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.391 -1.663 -9.342 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.762 -2.649 -8.078 1.00 0.00 C ATOM 0 H ILE A 65 -1.982 -3.458 -11.931 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.300 -4.341 -9.601 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.256 -1.758 -11.131 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.115 -2.506 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.692 -0.995 -9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.166 -0.615 -9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.328 -1.734 -9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.484 -2.200 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.765 -2.442 -7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.508 -2.192 -7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.922 -3.727 -8.112 1.00 0.00 H new ATOM 579 N LEU A 66 -5.244 -3.764 -12.217 1.00 0.00 N ATOM 580 CA LEU A 66 -6.579 -3.986 -12.782 1.00 0.00 C ATOM 581 C LEU A 66 -6.872 -5.484 -12.931 1.00 0.00 C ATOM 582 O LEU A 66 -7.985 -5.925 -12.645 1.00 0.00 O ATOM 583 CB LEU A 66 -6.679 -3.219 -14.109 1.00 0.00 C ATOM 584 CG LEU A 66 -7.123 -1.745 -13.967 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.650 -0.991 -12.717 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.609 -0.957 -15.168 1.00 0.00 C ATOM 0 H LEU A 66 -4.580 -3.378 -12.888 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.345 -3.604 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.708 -3.246 -14.604 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.383 -3.736 -14.760 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.209 -1.808 -13.892 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.031 0.030 -12.742 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.022 -1.495 -11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.560 -0.971 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.917 0.085 -15.078 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.521 -1.013 -15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.022 -1.380 -16.084 1.00 0.00 H new ATOM 598 N LYS A 67 -5.852 -6.278 -13.274 1.00 0.00 N ATOM 599 CA LYS A 67 -5.885 -7.744 -13.300 1.00 0.00 C ATOM 600 C LYS A 67 -6.216 -8.317 -11.920 1.00 0.00 C ATOM 601 O LYS A 67 -7.063 -9.201 -11.807 1.00 0.00 O ATOM 602 CB LYS A 67 -4.547 -8.263 -13.853 1.00 0.00 C ATOM 603 CG LYS A 67 -4.569 -9.776 -14.121 1.00 0.00 C ATOM 604 CD LYS A 67 -3.308 -10.261 -14.860 1.00 0.00 C ATOM 605 CE LYS A 67 -2.023 -10.247 -14.013 1.00 0.00 C ATOM 606 NZ LYS A 67 -1.984 -11.356 -13.021 1.00 0.00 N ATOM 0 H LYS A 67 -4.945 -5.902 -13.552 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.683 -8.083 -13.961 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.311 -7.737 -14.778 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.751 -8.034 -13.144 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.659 -10.308 -13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.451 -10.025 -14.712 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.480 -11.276 -15.218 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.155 -9.635 -15.739 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.157 -10.321 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.946 -9.293 -13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.124 -11.273 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.822 -11.302 -12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.979 -12.268 -13.520 1.00 0.00 H new ATOM 620 N ALA A 68 -5.595 -7.772 -10.872 1.00 0.00 N ATOM 621 CA ALA A 68 -5.915 -8.097 -9.483 1.00 0.00 C ATOM 622 C ALA A 68 -7.324 -7.630 -9.061 1.00 0.00 C ATOM 623 O ALA A 68 -8.036 -8.360 -8.373 1.00 0.00 O ATOM 624 CB ALA A 68 -4.838 -7.491 -8.579 1.00 0.00 C ATOM 0 H ALA A 68 -4.847 -7.085 -10.966 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.926 -9.182 -9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.063 -7.725 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.866 -7.907 -8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.818 -6.409 -8.712 1.00 0.00 H new ATOM 630 N LEU A 69 -7.757 -6.440 -9.497 1.00 0.00 N ATOM 631 CA LEU A 69 -9.004 -5.779 -9.083 1.00 0.00 C ATOM 632 C LEU A 69 -10.254 -6.577 -9.461 1.00 0.00 C ATOM 633 O LEU A 69 -11.267 -6.512 -8.763 1.00 0.00 O ATOM 634 CB LEU A 69 -9.073 -4.364 -9.702 1.00 0.00 C ATOM 635 CG LEU A 69 -9.472 -3.260 -8.714 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.304 -2.873 -7.805 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.895 -2.002 -9.477 1.00 0.00 C ATOM 0 H LEU A 69 -7.229 -5.889 -10.174 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.988 -5.714 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.100 -4.119 -10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.788 -4.375 -10.525 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.293 -3.650 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.622 -2.089 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.981 -3.745 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.475 -2.509 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.177 -1.224 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.064 -1.651 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.746 -2.234 -10.118 1.00 0.00 H new ATOM 649 N ARG A 70 -10.159 -7.368 -10.537 1.00 0.00 N ATOM 650 CA ARG A 70 -11.191 -8.314 -10.979 1.00 0.00 C ATOM 651 C ARG A 70 -11.601 -9.303 -9.879 1.00 0.00 C ATOM 652 O ARG A 70 -12.782 -9.644 -9.787 1.00 0.00 O ATOM 653 CB ARG A 70 -10.740 -9.066 -12.244 1.00 0.00 C ATOM 654 CG ARG A 70 -10.693 -8.153 -13.481 1.00 0.00 C ATOM 655 CD ARG A 70 -10.219 -8.902 -14.732 1.00 0.00 C ATOM 656 NE ARG A 70 -11.202 -9.911 -15.179 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.010 -10.889 -16.046 1.00 0.00 C ATOM 658 NH1 ARG A 70 -9.866 -11.074 -16.644 1.00 0.00 N ATOM 659 NH2 ARG A 70 -11.978 -11.710 -16.337 1.00 0.00 N ATOM 0 H ARG A 70 -9.338 -7.367 -11.142 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.075 -7.722 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.753 -9.497 -12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.421 -9.895 -12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.684 -7.737 -13.662 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.025 -7.314 -13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.041 -8.188 -15.536 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.267 -9.391 -14.523 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.135 -9.845 -14.772 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.082 -10.452 -16.448 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.756 -11.841 -17.308 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.890 -11.600 -15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.824 -12.463 -17.007 1.00 0.00 H new ATOM 673 N LYS A 71 -10.646 -9.737 -9.042 1.00 0.00 N ATOM 674 CA LYS A 71 -10.867 -10.589 -7.859 1.00 0.00 C ATOM 675 C LYS A 71 -9.752 -10.439 -6.802 1.00 0.00 C ATOM 676 O LYS A 71 -8.911 -11.325 -6.641 1.00 0.00 O ATOM 677 CB LYS A 71 -11.098 -12.044 -8.301 1.00 0.00 C ATOM 678 CG LYS A 71 -11.792 -12.876 -7.211 1.00 0.00 C ATOM 679 CD LYS A 71 -12.020 -14.323 -7.671 1.00 0.00 C ATOM 680 CE LYS A 71 -12.976 -15.094 -6.748 1.00 0.00 C ATOM 681 NZ LYS A 71 -12.453 -15.238 -5.367 1.00 0.00 N ATOM 0 H LYS A 71 -9.663 -9.497 -9.173 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.771 -10.250 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.705 -12.055 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.142 -12.502 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.185 -12.872 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.748 -12.419 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.423 -14.319 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.063 -14.842 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.936 -14.579 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.159 -16.083 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.009 -15.954 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.457 -15.534 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.526 -14.327 -4.871 1.00 0.00 H new ATOM 695 N ILE A 72 -9.768 -9.325 -6.057 1.00 0.00 N ATOM 696 CA ILE A 72 -8.881 -9.081 -4.896 1.00 0.00 C ATOM 697 C ILE A 72 -8.910 -10.217 -3.851 1.00 0.00 C ATOM 698 O ILE A 72 -7.869 -10.546 -3.276 1.00 0.00 O ATOM 699 CB ILE A 72 -9.220 -7.713 -4.254 1.00 0.00 C ATOM 700 CG1 ILE A 72 -8.850 -6.539 -5.187 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.591 -7.496 -2.865 1.00 0.00 C ATOM 702 CD1 ILE A 72 -7.354 -6.384 -5.511 1.00 0.00 C ATOM 0 H ILE A 72 -10.406 -8.551 -6.242 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.858 -9.060 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.300 -7.735 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.394 -6.659 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.201 -5.613 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.877 -6.515 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.945 -8.267 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.505 -7.552 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.212 -5.529 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.796 -6.225 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.993 -7.287 -6.002 1.00 0.00 H new ATOM 714 N GLU A 73 -10.078 -10.832 -3.616 1.00 0.00 N ATOM 715 CA GLU A 73 -10.302 -11.923 -2.644 1.00 0.00 C ATOM 716 C GLU A 73 -11.031 -13.116 -3.283 1.00 0.00 C ATOM 717 O GLU A 73 -12.177 -12.953 -3.760 1.00 0.00 O ATOM 718 CB GLU A 73 -11.024 -11.355 -1.405 1.00 0.00 C ATOM 719 CG GLU A 73 -10.925 -12.229 -0.142 1.00 0.00 C ATOM 720 CD GLU A 73 -11.857 -13.465 -0.137 1.00 0.00 C ATOM 721 OE1 GLU A 73 -13.104 -13.302 -0.159 1.00 0.00 O ATOM 722 OE2 GLU A 73 -11.357 -14.613 -0.029 1.00 0.00 O ATOM 0 H GLU A 73 -10.930 -10.576 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.343 -12.324 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.612 -10.371 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.077 -11.212 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.895 -12.567 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.155 -11.614 0.728 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.585 5.330 -5.615 1.00 0.00 N ATOM 731 CA THR B 31 15.191 4.925 -5.869 1.00 0.00 C ATOM 732 C THR B 31 14.810 5.091 -7.343 1.00 0.00 C ATOM 733 O THR B 31 15.613 5.537 -8.169 1.00 0.00 O ATOM 734 CB THR B 31 14.256 5.725 -4.942 1.00 0.00 C ATOM 735 OG1 THR B 31 12.989 5.119 -4.870 1.00 0.00 O ATOM 736 CG2 THR B 31 14.065 7.195 -5.329 1.00 0.00 C ATOM 0 HA THR B 31 15.085 3.863 -5.647 1.00 0.00 H new ATOM 0 HB THR B 31 14.760 5.714 -3.976 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.658 5.160 -3.948 1.00 0.00 H new ATOM 0 HG21 THR B 31 13.391 7.674 -4.618 1.00 0.00 H new ATOM 0 HG22 THR B 31 15.029 7.703 -5.314 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.638 7.255 -6.330 1.00 0.00 H new ATOM 744 N ARG B 32 13.567 4.739 -7.672 1.00 0.00 N ATOM 745 CA ARG B 32 12.889 4.952 -8.961 1.00 0.00 C ATOM 746 C ARG B 32 11.623 5.802 -8.784 1.00 0.00 C ATOM 747 O ARG B 32 11.179 6.045 -7.662 1.00 0.00 O ATOM 748 CB ARG B 32 12.576 3.590 -9.614 1.00 0.00 C ATOM 749 CG ARG B 32 13.799 2.683 -9.832 1.00 0.00 C ATOM 750 CD ARG B 32 14.768 3.265 -10.865 1.00 0.00 C ATOM 751 NE ARG B 32 16.007 2.470 -10.938 1.00 0.00 N ATOM 752 CZ ARG B 32 16.411 1.673 -11.912 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.662 1.391 -12.940 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.595 1.134 -11.870 1.00 0.00 N ATOM 0 H ARG B 32 12.961 4.265 -7.002 1.00 0.00 H new ATOM 0 HA ARG B 32 13.552 5.506 -9.625 1.00 0.00 H new ATOM 0 HB2 ARG B 32 11.855 3.061 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG B 32 12.096 3.766 -10.576 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.320 2.543 -8.885 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.466 1.699 -10.161 1.00 0.00 H new ATOM 0 HD2 ARG B 32 14.289 3.289 -11.844 1.00 0.00 H new ATOM 0 HD3 ARG B 32 15.008 4.295 -10.603 1.00 0.00 H new ATOM 0 HE ARG B 32 16.632 2.544 -10.135 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.726 1.790 -13.014 1.00 0.00 H new ATOM 0 HH12 ARG B 32 16.011 0.771 -13.671 1.00 0.00 H new ATOM 0 HH21 ARG B 32 18.215 1.326 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.903 0.520 -12.624 1.00 0.00 H new ATOM 768 N ALA B 33 11.032 6.236 -9.895 1.00 0.00 N ATOM 769 CA ALA B 33 9.831 7.071 -9.941 1.00 0.00 C ATOM 770 C ALA B 33 8.747 6.409 -10.807 1.00 0.00 C ATOM 771 O ALA B 33 8.938 6.200 -12.008 1.00 0.00 O ATOM 772 CB ALA B 33 10.214 8.468 -10.445 1.00 0.00 C ATOM 0 H ALA B 33 11.389 6.008 -10.823 1.00 0.00 H new ATOM 0 HA ALA B 33 9.407 7.176 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.325 9.098 -10.483 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.944 8.911 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.645 8.389 -11.443 1.00 0.00 H new ATOM 778 N VAL B 34 7.621 6.047 -10.186 1.00 0.00 N ATOM 779 CA VAL B 34 6.517 5.287 -10.790 1.00 0.00 C ATOM 780 C VAL B 34 5.203 6.024 -10.562 1.00 0.00 C ATOM 781 O VAL B 34 4.537 5.823 -9.551 1.00 0.00 O ATOM 782 CB VAL B 34 6.490 3.835 -10.270 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.298 3.060 -10.837 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.764 3.094 -10.702 1.00 0.00 C ATOM 0 H VAL B 34 7.444 6.284 -9.210 1.00 0.00 H new ATOM 0 HA VAL B 34 6.672 5.216 -11.867 1.00 0.00 H new ATOM 0 HB VAL B 34 6.415 3.887 -9.184 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.309 2.041 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.371 3.550 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.364 3.036 -11.925 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.734 2.070 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.827 3.082 -11.790 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.637 3.603 -10.294 1.00 0.00 H new ATOM 794 N SER B 35 4.848 6.907 -11.497 1.00 0.00 N ATOM 795 CA SER B 35 3.639 7.736 -11.429 1.00 0.00 C ATOM 796 C SER B 35 2.661 7.473 -12.559 1.00 0.00 C ATOM 797 O SER B 35 3.035 7.460 -13.737 1.00 0.00 O ATOM 798 CB SER B 35 3.997 9.218 -11.352 1.00 0.00 C ATOM 799 OG SER B 35 2.836 9.990 -11.100 1.00 0.00 O ATOM 0 H SER B 35 5.401 7.070 -12.338 1.00 0.00 H new ATOM 0 HA SER B 35 3.126 7.448 -10.511 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.730 9.382 -10.562 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.459 9.537 -12.286 1.00 0.00 H new ATOM 0 HG SER B 35 3.078 10.938 -11.051 1.00 0.00 H new ATOM 805 N LEU B 36 1.401 7.238 -12.181 1.00 0.00 N ATOM 806 CA LEU B 36 0.324 6.861 -13.058 1.00 0.00 C ATOM 807 C LEU B 36 -0.973 7.628 -12.780 1.00 0.00 C ATOM 808 O LEU B 36 -1.088 8.394 -11.825 1.00 0.00 O ATOM 809 CB LEU B 36 0.162 5.336 -13.014 1.00 0.00 C ATOM 810 CG LEU B 36 0.220 4.545 -11.687 1.00 0.00 C ATOM 811 CD1 LEU B 36 -0.464 3.190 -11.909 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.640 4.214 -11.215 1.00 0.00 C ATOM 0 H LEU B 36 1.106 7.313 -11.207 1.00 0.00 H new ATOM 0 HA LEU B 36 0.578 7.149 -14.078 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.800 5.108 -13.474 1.00 0.00 H new ATOM 0 HB3 LEU B 36 0.932 4.919 -13.663 1.00 0.00 H new ATOM 0 HG LEU B 36 -0.257 5.178 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.436 2.612 -10.985 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.501 3.350 -12.205 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.058 2.643 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.592 3.659 -10.278 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.143 3.609 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.197 5.138 -11.061 1.00 0.00 H new ATOM 824 N TYR B 37 -1.934 7.421 -13.675 1.00 0.00 N ATOM 825 CA TYR B 37 -3.113 8.267 -13.898 1.00 0.00 C ATOM 826 C TYR B 37 -4.381 7.406 -13.915 1.00 0.00 C ATOM 827 O TYR B 37 -4.850 6.955 -14.962 1.00 0.00 O ATOM 828 CB TYR B 37 -2.888 9.085 -15.179 1.00 0.00 C ATOM 829 CG TYR B 37 -1.676 9.998 -15.087 1.00 0.00 C ATOM 830 CD1 TYR B 37 -1.745 11.185 -14.331 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.460 9.623 -15.694 1.00 0.00 C ATOM 832 CE1 TYR B 37 -0.606 12.003 -14.189 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.683 10.431 -15.543 1.00 0.00 C ATOM 834 CZ TYR B 37 0.613 11.626 -14.793 1.00 0.00 C ATOM 835 OH TYR B 37 1.722 12.406 -14.661 1.00 0.00 O ATOM 0 H TYR B 37 -1.915 6.616 -14.301 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.257 8.978 -13.084 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.763 8.405 -16.022 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.775 9.685 -15.383 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -2.674 11.469 -13.859 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.405 8.715 -16.276 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.666 12.918 -13.618 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.615 10.137 -16.002 1.00 0.00 H new ATOM 0 HH TYR B 37 2.471 11.994 -15.140 1.00 0.00 H new ATOM 845 N PHE B 38 -4.896 7.121 -12.720 1.00 0.00 N ATOM 846 CA PHE B 38 -6.122 6.382 -12.457 1.00 0.00 C ATOM 847 C PHE B 38 -7.370 7.249 -12.678 1.00 0.00 C ATOM 848 O PHE B 38 -7.270 8.422 -13.039 1.00 0.00 O ATOM 849 CB PHE B 38 -6.020 5.892 -11.008 1.00 0.00 C ATOM 850 CG PHE B 38 -5.208 4.626 -10.841 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.748 3.385 -11.221 1.00 0.00 C ATOM 852 CD2 PHE B 38 -3.937 4.671 -10.250 1.00 0.00 C ATOM 853 CE1 PHE B 38 -5.072 2.185 -10.939 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.244 3.475 -10.011 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.802 2.234 -10.351 1.00 0.00 C ATOM 0 H PHE B 38 -4.437 7.420 -11.859 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.229 5.545 -13.147 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.575 6.679 -10.400 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.025 5.720 -10.622 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.696 3.353 -11.737 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.495 5.619 -9.981 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.528 1.234 -11.174 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.264 3.510 -9.558 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.256 1.322 -10.161 1.00 0.00 H new ATOM 865 N SER B 39 -8.549 6.682 -12.421 1.00 0.00 N ATOM 866 CA SER B 39 -9.806 7.415 -12.256 1.00 0.00 C ATOM 867 C SER B 39 -10.519 7.004 -10.967 1.00 0.00 C ATOM 868 O SER B 39 -10.069 6.104 -10.255 1.00 0.00 O ATOM 869 CB SER B 39 -10.680 7.233 -13.505 1.00 0.00 C ATOM 870 OG SER B 39 -11.735 8.182 -13.538 1.00 0.00 O ATOM 0 H SER B 39 -8.660 5.673 -12.319 1.00 0.00 H new ATOM 0 HA SER B 39 -9.594 8.479 -12.156 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.066 7.337 -14.400 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.094 6.225 -13.518 1.00 0.00 H new ATOM 0 HG SER B 39 -12.274 8.044 -14.345 1.00 0.00 H new ATOM 876 N ASP B 40 -11.611 7.692 -10.636 1.00 0.00 N ATOM 877 CA ASP B 40 -12.282 7.617 -9.337 1.00 0.00 C ATOM 878 C ASP B 40 -12.697 6.194 -8.946 1.00 0.00 C ATOM 879 O ASP B 40 -12.619 5.844 -7.775 1.00 0.00 O ATOM 880 CB ASP B 40 -13.497 8.555 -9.321 1.00 0.00 C ATOM 881 CG ASP B 40 -13.082 10.031 -9.393 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.513 10.539 -8.397 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.316 10.683 -10.437 1.00 0.00 O ATOM 0 H ASP B 40 -12.067 8.336 -11.282 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.556 7.937 -8.589 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.148 8.320 -10.163 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.075 8.384 -8.413 1.00 0.00 H new ATOM 888 N GLU B 41 -13.112 5.346 -9.888 1.00 0.00 N ATOM 889 CA GLU B 41 -13.510 3.953 -9.627 1.00 0.00 C ATOM 890 C GLU B 41 -12.353 3.101 -9.091 1.00 0.00 C ATOM 891 O GLU B 41 -12.476 2.427 -8.064 1.00 0.00 O ATOM 892 CB GLU B 41 -14.038 3.333 -10.929 1.00 0.00 C ATOM 893 CG GLU B 41 -15.306 4.015 -11.454 1.00 0.00 C ATOM 894 CD GLU B 41 -16.586 3.304 -10.971 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.842 3.280 -9.742 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.344 2.765 -11.814 1.00 0.00 O ATOM 0 H GLU B 41 -13.184 5.607 -10.871 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.284 3.968 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.261 3.389 -11.691 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.245 2.276 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.322 5.054 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.287 4.027 -12.544 1.00 0.00 H new ATOM 903 N GLN B 42 -11.222 3.154 -9.793 1.00 0.00 N ATOM 904 CA GLN B 42 -9.943 2.541 -9.417 1.00 0.00 C ATOM 905 C GLN B 42 -9.424 3.108 -8.088 1.00 0.00 C ATOM 906 O GLN B 42 -9.054 2.351 -7.189 1.00 0.00 O ATOM 907 CB GLN B 42 -8.933 2.755 -10.541 1.00 0.00 C ATOM 908 CG GLN B 42 -9.364 2.122 -11.881 1.00 0.00 C ATOM 909 CD GLN B 42 -9.462 3.139 -13.015 1.00 0.00 C ATOM 910 OE1 GLN B 42 -8.485 3.760 -13.412 1.00 0.00 O ATOM 911 NE2 GLN B 42 -10.624 3.343 -13.595 1.00 0.00 N ATOM 0 H GLN B 42 -11.167 3.649 -10.683 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.091 1.471 -9.270 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.782 3.825 -10.685 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.973 2.335 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.650 1.346 -12.157 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -10.330 1.635 -11.752 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -11.449 2.834 -13.277 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -10.701 4.010 -14.363 1.00 0.00 H new ATOM 920 N TYR B 43 -9.432 4.436 -7.931 1.00 0.00 N ATOM 921 CA TYR B 43 -8.895 5.096 -6.737 1.00 0.00 C ATOM 922 C TYR B 43 -9.731 4.807 -5.483 1.00 0.00 C ATOM 923 O TYR B 43 -9.188 4.567 -4.404 1.00 0.00 O ATOM 924 CB TYR B 43 -8.805 6.598 -7.000 1.00 0.00 C ATOM 925 CG TYR B 43 -8.004 7.340 -5.947 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.596 7.285 -5.975 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.662 8.068 -4.936 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.845 7.957 -4.992 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.912 8.738 -3.948 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.500 8.683 -3.974 1.00 0.00 C ATOM 931 OH TYR B 43 -5.765 9.323 -3.023 1.00 0.00 O ATOM 0 H TYR B 43 -9.809 5.081 -8.625 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.901 4.694 -6.539 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.350 6.763 -7.977 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.811 7.014 -7.042 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -6.093 6.727 -6.751 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.741 8.113 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.766 7.917 -5.017 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -8.417 9.293 -3.171 1.00 0.00 H new ATOM 0 HH TYR B 43 -6.366 9.777 -2.396 1.00 0.00 H new ATOM 941 N GLN B 44 -11.055 4.756 -5.635 1.00 0.00 N ATOM 942 CA GLN B 44 -11.984 4.368 -4.574 1.00 0.00 C ATOM 943 C GLN B 44 -11.794 2.910 -4.160 1.00 0.00 C ATOM 944 O GLN B 44 -11.841 2.601 -2.973 1.00 0.00 O ATOM 945 CB GLN B 44 -13.438 4.587 -5.003 1.00 0.00 C ATOM 946 CG GLN B 44 -13.867 6.056 -4.870 1.00 0.00 C ATOM 947 CD GLN B 44 -15.235 6.299 -5.501 1.00 0.00 C ATOM 948 OE1 GLN B 44 -16.237 6.526 -4.835 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.322 6.254 -6.812 1.00 0.00 N ATOM 0 H GLN B 44 -11.519 4.987 -6.513 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.763 5.005 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.562 4.266 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -14.092 3.963 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.897 6.333 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.126 6.697 -5.347 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.491 6.065 -7.372 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -16.221 6.408 -7.269 1.00 0.00 H new ATOM 958 N LYS B 45 -11.546 2.009 -5.119 1.00 0.00 N ATOM 959 CA LYS B 45 -11.193 0.610 -4.838 1.00 0.00 C ATOM 960 C LYS B 45 -9.906 0.497 -4.012 1.00 0.00 C ATOM 961 O LYS B 45 -9.874 -0.249 -3.034 1.00 0.00 O ATOM 962 CB LYS B 45 -11.103 -0.202 -6.142 1.00 0.00 C ATOM 963 CG LYS B 45 -11.766 -1.581 -6.008 1.00 0.00 C ATOM 964 CD LYS B 45 -13.305 -1.575 -5.933 1.00 0.00 C ATOM 965 CE LYS B 45 -14.003 -1.208 -7.256 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.265 0.251 -7.404 1.00 0.00 N ATOM 0 H LYS B 45 -11.584 2.229 -6.114 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.992 0.184 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.581 0.353 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.056 -0.328 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.464 -2.194 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -11.378 -2.065 -5.112 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.645 -2.561 -5.618 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.617 -0.869 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.386 -1.545 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.948 -1.747 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.118 0.394 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.408 0.675 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -13.452 0.704 -7.868 1.00 0.00 H new ATOM 980 N LEU B 46 -8.873 1.275 -4.349 1.00 0.00 N ATOM 981 CA LEU B 46 -7.649 1.375 -3.559 1.00 0.00 C ATOM 982 C LEU B 46 -7.904 1.904 -2.143 1.00 0.00 C ATOM 983 O LEU B 46 -7.448 1.307 -1.172 1.00 0.00 O ATOM 984 CB LEU B 46 -6.646 2.237 -4.327 1.00 0.00 C ATOM 985 CG LEU B 46 -5.685 1.440 -5.213 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.558 0.829 -4.363 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.311 0.352 -6.084 1.00 0.00 C ATOM 0 H LEU B 46 -8.866 1.857 -5.186 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.235 0.377 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.193 2.945 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.065 2.822 -3.614 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.303 2.179 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.882 0.265 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -4.005 1.626 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.987 0.163 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.532 -0.142 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.810 -0.380 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.039 0.801 -6.760 1.00 0.00 H new ATOM 999 N GLU B 47 -8.670 2.985 -2.008 1.00 0.00 N ATOM 1000 CA GLU B 47 -9.098 3.526 -0.712 1.00 0.00 C ATOM 1001 C GLU B 47 -9.900 2.510 0.124 1.00 0.00 C ATOM 1002 O GLU B 47 -9.680 2.372 1.328 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.874 4.829 -0.949 1.00 0.00 C ATOM 1004 CG GLU B 47 -10.180 5.593 0.343 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.934 6.903 0.043 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -12.179 6.868 -0.119 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -10.292 7.980 -0.028 1.00 0.00 O ATOM 0 H GLU B 47 -9.017 3.519 -2.804 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.212 3.742 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.298 5.471 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.810 4.599 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.778 4.968 1.006 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -9.251 5.816 0.867 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.786 1.734 -0.514 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.613 0.714 0.144 1.00 0.00 C ATOM 1016 C LYS B 48 -10.767 -0.401 0.772 1.00 0.00 C ATOM 1017 O LYS B 48 -11.084 -0.878 1.862 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.663 0.184 -0.848 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.702 -0.726 -0.171 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.908 -1.045 -1.075 1.00 0.00 C ATOM 1021 CE LYS B 48 -16.124 -0.126 -0.857 1.00 0.00 C ATOM 1022 NZ LYS B 48 -15.900 1.277 -1.303 1.00 0.00 N ATOM 0 H LYS B 48 -10.951 1.798 -1.519 1.00 0.00 H new ATOM 0 HA LYS B 48 -12.141 1.174 0.979 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.172 1.025 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.162 -0.369 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.221 -1.658 0.125 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.056 -0.246 0.741 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.595 -0.973 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.212 -2.078 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -16.980 -0.536 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -16.382 -0.125 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.779 1.822 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -15.149 1.708 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -15.616 1.282 -2.303 1.00 0.00 H new ATOM 1036 N MET B 49 -9.662 -0.776 0.125 1.00 0.00 N ATOM 1037 CA MET B 49 -8.654 -1.690 0.633 1.00 0.00 C ATOM 1038 C MET B 49 -7.757 -1.043 1.701 1.00 0.00 C ATOM 1039 O MET B 49 -7.470 -1.660 2.725 1.00 0.00 O ATOM 1040 CB MET B 49 -7.807 -2.115 -0.564 1.00 0.00 C ATOM 1041 CG MET B 49 -8.503 -3.116 -1.492 1.00 0.00 C ATOM 1042 SD MET B 49 -7.391 -3.908 -2.689 1.00 0.00 S ATOM 1043 CE MET B 49 -6.632 -2.452 -3.449 1.00 0.00 C ATOM 0 H MET B 49 -9.441 -0.431 -0.809 1.00 0.00 H new ATOM 0 HA MET B 49 -9.142 -2.537 1.115 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.537 -1.229 -1.138 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.878 -2.555 -0.202 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.978 -3.888 -0.886 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.297 -2.602 -2.034 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.959 -2.767 -4.247 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.410 -1.810 -3.863 1.00 0.00 H new ATOM 0 HE3 MET B 49 -6.069 -1.900 -2.696 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.336 0.208 1.496 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.450 0.971 2.376 1.00 0.00 C ATOM 1055 C ALA B 50 -7.003 1.198 3.787 1.00 0.00 C ATOM 1056 O ALA B 50 -6.217 1.395 4.707 1.00 0.00 O ATOM 1057 CB ALA B 50 -6.090 2.294 1.700 1.00 0.00 C ATOM 0 H ALA B 50 -7.618 0.740 0.673 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.555 0.368 2.526 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.430 2.867 2.351 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.584 2.094 0.755 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.999 2.865 1.511 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.309 1.075 4.014 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.872 1.012 5.364 1.00 0.00 C ATOM 1065 C ASN B 51 -8.307 -0.161 6.202 1.00 0.00 C ATOM 1066 O ASN B 51 -8.266 -0.065 7.427 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.398 0.981 5.239 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.095 0.981 6.591 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.006 1.926 7.364 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.816 -0.066 6.922 1.00 0.00 N ATOM 0 H ASN B 51 -9.006 1.016 3.271 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.574 1.899 5.922 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.729 1.845 4.663 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.695 0.093 4.681 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.299 -0.089 7.820 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -11.893 -0.856 6.281 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.787 -1.225 5.574 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.047 -2.297 6.252 1.00 0.00 C ATOM 1079 C GLU B 52 -5.656 -1.844 6.751 1.00 0.00 C ATOM 1080 O GLU B 52 -5.224 -2.238 7.836 1.00 0.00 O ATOM 1081 CB GLU B 52 -6.939 -3.532 5.339 1.00 0.00 C ATOM 1082 CG GLU B 52 -6.538 -4.786 6.129 1.00 0.00 C ATOM 1083 CD GLU B 52 -6.535 -6.049 5.245 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -7.629 -6.577 4.928 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -5.436 -6.547 4.898 1.00 0.00 O ATOM 0 H GLU B 52 -7.870 -1.366 4.567 1.00 0.00 H new ATOM 0 HA GLU B 52 -7.614 -2.566 7.143 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -7.895 -3.704 4.844 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.204 -3.344 4.557 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -5.547 -4.642 6.559 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -7.229 -4.927 6.960 1.00 0.00 H new ATOM 1092 N GLU B 53 -4.970 -0.963 6.010 1.00 0.00 N ATOM 1093 CA GLU B 53 -3.785 -0.213 6.446 1.00 0.00 C ATOM 1094 C GLU B 53 -4.125 0.958 7.394 1.00 0.00 C ATOM 1095 O GLU B 53 -3.225 1.651 7.875 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.061 0.336 5.208 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.527 -0.737 4.255 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.650 -0.104 3.154 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -2.135 0.795 2.426 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -0.469 -0.508 3.021 1.00 0.00 O ATOM 0 H GLU B 53 -5.237 -0.745 5.050 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.152 -0.903 7.004 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.746 0.982 4.659 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -2.229 0.959 5.536 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.945 -1.469 4.814 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -3.360 -1.273 3.800 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.414 1.173 7.673 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.984 2.274 8.465 1.00 0.00 C ATOM 1109 C GLU B 54 -5.861 3.634 7.737 1.00 0.00 C ATOM 1110 O GLU B 54 -5.586 4.675 8.335 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.437 2.237 9.907 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.455 2.785 10.912 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.875 2.798 12.340 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -5.983 1.770 13.055 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.316 3.838 12.769 1.00 0.00 O ATOM 0 H GLU B 54 -6.138 0.542 7.330 1.00 0.00 H new ATOM 0 HA GLU B 54 -7.061 2.134 8.562 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.179 1.212 10.172 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.519 2.822 9.963 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.746 3.796 10.625 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.358 2.175 10.889 1.00 0.00 H new ATOM 1122 N GLU B 55 -6.100 3.594 6.420 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.969 4.635 5.393 1.00 0.00 C ATOM 1124 C GLU B 55 -4.526 5.123 5.140 1.00 0.00 C ATOM 1125 O GLU B 55 -3.882 5.729 6.000 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.932 5.809 5.628 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.418 5.446 5.815 1.00 0.00 C ATOM 1128 CD GLU B 55 -9.140 5.030 4.516 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.472 4.708 3.505 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -10.396 5.040 4.508 1.00 0.00 O ATOM 0 H GLU B 55 -6.430 2.725 5.999 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.262 4.137 4.469 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.599 6.353 6.512 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.851 6.493 4.783 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.493 4.631 6.535 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.937 6.302 6.247 1.00 0.00 H new ATOM 1137 N SER B 56 -4.021 4.884 3.922 1.00 0.00 N ATOM 1138 CA SER B 56 -2.732 5.394 3.423 1.00 0.00 C ATOM 1139 C SER B 56 -2.834 5.722 1.927 1.00 0.00 C ATOM 1140 O SER B 56 -2.636 6.870 1.528 1.00 0.00 O ATOM 1141 CB SER B 56 -1.623 4.366 3.701 1.00 0.00 C ATOM 1142 OG SER B 56 -0.361 4.843 3.263 1.00 0.00 O ATOM 0 H SER B 56 -4.512 4.313 3.234 1.00 0.00 H new ATOM 0 HA SER B 56 -2.479 6.316 3.947 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.583 4.150 4.769 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.856 3.429 3.195 1.00 0.00 H new ATOM 0 HG SER B 56 0.327 4.171 3.453 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.252 4.724 1.134 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.526 4.731 -0.317 1.00 0.00 C ATOM 1150 C VAL B 57 -2.251 4.902 -1.164 1.00 0.00 C ATOM 1151 O VAL B 57 -1.304 5.591 -0.788 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.622 5.753 -0.710 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.153 5.511 -2.129 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.844 5.710 0.219 1.00 0.00 C ATOM 0 H VAL B 57 -3.425 3.799 1.529 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.921 3.742 -0.548 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.125 6.720 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -5.919 6.251 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.335 5.599 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.583 4.511 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.576 6.448 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.291 4.717 0.186 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.533 5.934 1.239 1.00 0.00 H new ATOM 1164 N GLY B 58 -2.180 4.200 -2.300 1.00 0.00 N ATOM 1165 CA GLY B 58 -1.009 4.122 -3.188 1.00 0.00 C ATOM 1166 C GLY B 58 0.053 3.152 -2.662 1.00 0.00 C ATOM 1167 O GLY B 58 0.597 2.343 -3.411 1.00 0.00 O ATOM 0 H GLY B 58 -2.966 3.648 -2.642 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -1.329 3.805 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -0.571 5.114 -3.296 1.00 0.00 H new ATOM 1171 N SER B 59 0.280 3.147 -1.349 1.00 0.00 N ATOM 1172 CA SER B 59 1.128 2.156 -0.671 1.00 0.00 C ATOM 1173 C SER B 59 0.596 0.733 -0.877 1.00 0.00 C ATOM 1174 O SER B 59 1.362 -0.172 -1.213 1.00 0.00 O ATOM 1175 CB SER B 59 1.235 2.489 0.818 1.00 0.00 C ATOM 1176 OG SER B 59 2.312 1.771 1.397 1.00 0.00 O ATOM 0 H SER B 59 -0.123 3.837 -0.715 1.00 0.00 H new ATOM 0 HA SER B 59 2.124 2.198 -1.112 1.00 0.00 H new ATOM 0 HB2 SER B 59 1.388 3.560 0.950 1.00 0.00 H new ATOM 0 HB3 SER B 59 0.304 2.235 1.324 1.00 0.00 H new ATOM 0 HG SER B 59 2.376 1.990 2.350 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.733 0.553 -0.812 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.418 -0.705 -1.135 1.00 0.00 C ATOM 1184 C TYR B 60 -1.122 -1.186 -2.565 1.00 0.00 C ATOM 1185 O TYR B 60 -0.903 -2.374 -2.787 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.934 -0.536 -0.940 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.625 -1.778 -0.404 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.823 -2.905 -1.228 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -4.055 -1.811 0.935 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.439 -4.061 -0.707 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.661 -2.966 1.463 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.854 -4.098 0.642 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.463 -5.204 1.149 1.00 0.00 O ATOM 0 H TYR B 60 -1.373 1.295 -0.527 1.00 0.00 H new ATOM 0 HA TYR B 60 -1.037 -1.467 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -3.113 0.292 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.386 -0.263 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.502 -2.883 -2.259 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.919 -0.943 1.563 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.594 -4.921 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.978 -2.986 2.495 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.679 -5.054 2.093 1.00 0.00 H new ATOM 1203 N ILE B 61 -1.070 -0.256 -3.528 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.717 -0.508 -4.940 1.00 0.00 C ATOM 1205 C ILE B 61 0.658 -1.163 -5.011 1.00 0.00 C ATOM 1206 O ILE B 61 0.811 -2.252 -5.569 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.827 0.803 -5.783 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -1.925 0.701 -6.858 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.449 1.311 -6.492 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.624 2.048 -7.047 1.00 0.00 C ATOM 0 H ILE B 61 -1.278 0.725 -3.344 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.428 -1.204 -5.384 1.00 0.00 H new ATOM 0 HB ILE B 61 -1.058 1.530 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.487 0.377 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.655 -0.055 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.222 2.227 -7.037 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.222 1.513 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE B 61 0.804 0.552 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.396 1.953 -7.811 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -3.080 2.356 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.895 2.796 -7.359 1.00 0.00 H new ATOM 1222 N LYS B 62 1.648 -0.534 -4.369 1.00 0.00 N ATOM 1223 CA LYS B 62 3.022 -1.024 -4.340 1.00 0.00 C ATOM 1224 C LYS B 62 3.081 -2.389 -3.659 1.00 0.00 C ATOM 1225 O LYS B 62 3.580 -3.348 -4.235 1.00 0.00 O ATOM 1226 CB LYS B 62 3.926 0.034 -3.673 1.00 0.00 C ATOM 1227 CG LYS B 62 5.329 0.035 -4.300 1.00 0.00 C ATOM 1228 CD LYS B 62 6.288 1.101 -3.739 1.00 0.00 C ATOM 1229 CE LYS B 62 7.123 0.663 -2.524 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.342 0.591 -1.257 1.00 0.00 N ATOM 0 H LYS B 62 1.513 0.335 -3.853 1.00 0.00 H new ATOM 0 HA LYS B 62 3.396 -1.174 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.476 1.021 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.002 -0.169 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.777 -0.948 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.231 0.185 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.968 1.408 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.705 1.979 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.560 -0.315 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.950 1.360 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 6.994 0.491 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.783 1.461 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 5.704 -0.229 -1.289 1.00 0.00 H new ATOM 1244 N ARG B 63 2.485 -2.509 -2.472 1.00 0.00 N ATOM 1245 CA ARG B 63 2.398 -3.741 -1.670 1.00 0.00 C ATOM 1246 C ARG B 63 1.851 -4.915 -2.484 1.00 0.00 C ATOM 1247 O ARG B 63 2.413 -6.003 -2.422 1.00 0.00 O ATOM 1248 CB ARG B 63 1.550 -3.465 -0.412 1.00 0.00 C ATOM 1249 CG ARG B 63 1.652 -4.548 0.676 1.00 0.00 C ATOM 1250 CD ARG B 63 3.010 -4.523 1.392 1.00 0.00 C ATOM 1251 NE ARG B 63 3.037 -5.456 2.535 1.00 0.00 N ATOM 1252 CZ ARG B 63 3.913 -5.480 3.525 1.00 0.00 C ATOM 1253 NH1 ARG B 63 4.916 -4.649 3.586 1.00 0.00 N ATOM 1254 NH2 ARG B 63 3.799 -6.351 4.486 1.00 0.00 N ATOM 0 H ARG B 63 2.028 -1.718 -2.019 1.00 0.00 H new ATOM 0 HA ARG B 63 3.401 -4.034 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.856 -2.510 0.014 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.506 -3.363 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG B 63 0.855 -4.404 1.406 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.498 -5.529 0.226 1.00 0.00 H new ATOM 0 HD2 ARG B 63 3.799 -4.787 0.687 1.00 0.00 H new ATOM 0 HD3 ARG B 63 3.220 -3.512 1.741 1.00 0.00 H new ATOM 0 HE ARG B 63 2.299 -6.159 2.565 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.045 -3.950 2.854 1.00 0.00 H new ATOM 0 HH12 ARG B 63 5.572 -4.698 4.366 1.00 0.00 H new ATOM 0 HH21 ARG B 63 3.030 -7.021 4.478 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.479 -6.363 5.246 1.00 0.00 H new ATOM 1268 N TYR B 64 0.814 -4.699 -3.292 1.00 0.00 N ATOM 1269 CA TYR B 64 0.176 -5.735 -4.108 1.00 0.00 C ATOM 1270 C TYR B 64 1.082 -6.246 -5.232 1.00 0.00 C ATOM 1271 O TYR B 64 1.211 -7.448 -5.454 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.131 -5.202 -4.708 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.182 -6.291 -4.826 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.089 -7.272 -5.833 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.206 -6.376 -3.861 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.009 -8.337 -5.868 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.138 -7.431 -3.902 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.045 -8.414 -4.911 1.00 0.00 C ATOM 1279 OH TYR B 64 -4.908 -9.464 -4.938 1.00 0.00 O ATOM 0 H TYR B 64 0.384 -3.781 -3.401 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.028 -6.576 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.514 -4.393 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.933 -4.779 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.311 -7.207 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.276 -5.628 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -2.922 -9.098 -6.629 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.923 -7.488 -3.162 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.561 -9.369 -4.213 1.00 0.00 H new ATOM 1289 N ILE B 65 1.731 -5.313 -5.923 1.00 0.00 N ATOM 1290 CA ILE B 65 2.692 -5.551 -7.007 1.00 0.00 C ATOM 1291 C ILE B 65 3.935 -6.262 -6.463 1.00 0.00 C ATOM 1292 O ILE B 65 4.448 -7.186 -7.089 1.00 0.00 O ATOM 1293 CB ILE B 65 3.031 -4.210 -7.695 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.806 -3.688 -8.479 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.238 -4.326 -8.639 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.921 -2.202 -8.842 1.00 0.00 C ATOM 0 H ILE B 65 1.597 -4.319 -5.736 1.00 0.00 H new ATOM 0 HA ILE B 65 2.255 -6.208 -7.759 1.00 0.00 H new ATOM 0 HB ILE B 65 3.295 -3.504 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.689 -4.272 -9.392 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.906 -3.843 -7.884 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.436 -3.357 -9.098 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.113 -4.645 -8.073 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.022 -5.058 -9.417 1.00 0.00 H new ATOM 0 HD11 ILE B 65 1.032 -1.892 -9.391 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.009 -1.611 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.804 -2.046 -9.462 1.00 0.00 H new ATOM 1308 N LEU B 66 4.386 -5.882 -5.268 1.00 0.00 N ATOM 1309 CA LEU B 66 5.547 -6.472 -4.598 1.00 0.00 C ATOM 1310 C LEU B 66 5.212 -7.873 -4.060 1.00 0.00 C ATOM 1311 O LEU B 66 6.053 -8.772 -4.109 1.00 0.00 O ATOM 1312 CB LEU B 66 6.013 -5.504 -3.497 1.00 0.00 C ATOM 1313 CG LEU B 66 6.944 -4.362 -3.974 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.668 -3.750 -5.356 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.886 -3.228 -2.953 1.00 0.00 C ATOM 0 H LEU B 66 3.945 -5.139 -4.726 1.00 0.00 H new ATOM 0 HA LEU B 66 6.367 -6.612 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.134 -5.062 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.531 -6.076 -2.728 1.00 0.00 H new ATOM 0 HG LEU B 66 7.918 -4.842 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.396 -2.964 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.749 -4.524 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.663 -3.327 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.537 -2.415 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.862 -2.863 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.217 -3.596 -1.982 1.00 0.00 H new ATOM 1327 N LYS B 67 3.960 -8.091 -3.639 1.00 0.00 N ATOM 1328 CA LYS B 67 3.401 -9.404 -3.297 1.00 0.00 C ATOM 1329 C LYS B 67 3.345 -10.330 -4.516 1.00 0.00 C ATOM 1330 O LYS B 67 3.814 -11.463 -4.452 1.00 0.00 O ATOM 1331 CB LYS B 67 2.024 -9.214 -2.641 1.00 0.00 C ATOM 1332 CG LYS B 67 1.504 -10.524 -2.027 1.00 0.00 C ATOM 1333 CD LYS B 67 0.159 -10.376 -1.292 1.00 0.00 C ATOM 1334 CE LYS B 67 -1.076 -10.660 -2.164 1.00 0.00 C ATOM 1335 NZ LYS B 67 -1.380 -9.575 -3.136 1.00 0.00 N ATOM 0 H LYS B 67 3.287 -7.334 -3.523 1.00 0.00 H new ATOM 0 HA LYS B 67 4.058 -9.897 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS B 67 2.092 -8.450 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.313 -8.852 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS B 67 1.395 -11.267 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS B 67 2.248 -10.908 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS B 67 0.149 -11.053 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS B 67 0.084 -9.363 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -0.920 -11.591 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -1.941 -10.810 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -2.380 -9.630 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.195 -8.652 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -0.778 -9.684 -3.977 1.00 0.00 H new ATOM 1349 N ALA B 68 2.824 -9.833 -5.640 1.00 0.00 N ATOM 1350 CA ALA B 68 2.793 -10.535 -6.927 1.00 0.00 C ATOM 1351 C ALA B 68 4.199 -10.856 -7.467 1.00 0.00 C ATOM 1352 O ALA B 68 4.402 -11.881 -8.125 1.00 0.00 O ATOM 1353 CB ALA B 68 2.005 -9.680 -7.923 1.00 0.00 C ATOM 0 H ALA B 68 2.400 -8.906 -5.682 1.00 0.00 H new ATOM 0 HA ALA B 68 2.305 -11.499 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.970 -10.185 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.990 -9.533 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.493 -8.712 -8.037 1.00 0.00 H new ATOM 1359 N LEU B 69 5.194 -10.020 -7.145 1.00 0.00 N ATOM 1360 CA LEU B 69 6.567 -10.176 -7.624 1.00 0.00 C ATOM 1361 C LEU B 69 7.206 -11.488 -7.163 1.00 0.00 C ATOM 1362 O LEU B 69 8.028 -12.057 -7.877 1.00 0.00 O ATOM 1363 CB LEU B 69 7.437 -8.972 -7.231 1.00 0.00 C ATOM 1364 CG LEU B 69 8.204 -8.451 -8.456 1.00 0.00 C ATOM 1365 CD1 LEU B 69 7.314 -7.523 -9.285 1.00 0.00 C ATOM 1366 CD2 LEU B 69 9.445 -7.681 -8.033 1.00 0.00 C ATOM 0 H LEU B 69 5.064 -9.210 -6.539 1.00 0.00 H new ATOM 0 HA LEU B 69 6.512 -10.217 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.811 -8.180 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.139 -9.261 -6.449 1.00 0.00 H new ATOM 0 HG LEU B 69 8.500 -9.315 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.871 -7.162 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.434 -8.069 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.003 -6.676 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU B 69 9.970 -7.323 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU B 69 9.153 -6.831 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU B 69 10.102 -8.336 -7.461 1.00 0.00 H new ATOM 1378 N ARG B 70 6.754 -12.009 -6.018 1.00 0.00 N ATOM 1379 CA ARG B 70 7.148 -13.303 -5.442 1.00 0.00 C ATOM 1380 C ARG B 70 6.902 -14.504 -6.372 1.00 0.00 C ATOM 1381 O ARG B 70 7.535 -15.547 -6.192 1.00 0.00 O ATOM 1382 CB ARG B 70 6.450 -13.521 -4.087 1.00 0.00 C ATOM 1383 CG ARG B 70 6.790 -12.428 -3.060 1.00 0.00 C ATOM 1384 CD ARG B 70 6.085 -12.695 -1.726 1.00 0.00 C ATOM 1385 NE ARG B 70 6.422 -11.659 -0.730 1.00 0.00 N ATOM 1386 CZ ARG B 70 6.128 -11.666 0.558 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.448 -12.633 1.108 1.00 0.00 N ATOM 1388 NH2 ARG B 70 6.518 -10.692 1.329 1.00 0.00 N ATOM 0 H ARG B 70 6.072 -11.519 -5.439 1.00 0.00 H new ATOM 0 HA ARG B 70 8.227 -13.252 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.371 -13.547 -4.239 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.739 -14.493 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.868 -12.391 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.490 -11.454 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.006 -12.719 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG B 70 6.375 -13.675 -1.348 1.00 0.00 H new ATOM 0 HE ARG B 70 6.938 -10.849 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG B 70 5.125 -13.417 0.540 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.239 -12.606 2.106 1.00 0.00 H new ATOM 0 HH21 ARG B 70 7.054 -9.917 0.940 1.00 0.00 H new ATOM 0 HH22 ARG B 70 6.287 -10.704 2.322 1.00 0.00 H new ATOM 1402 N LYS B 71 6.020 -14.355 -7.372 1.00 0.00 N ATOM 1403 CA LYS B 71 5.690 -15.359 -8.403 1.00 0.00 C ATOM 1404 C LYS B 71 6.075 -14.931 -9.833 1.00 0.00 C ATOM 1405 O LYS B 71 6.341 -15.787 -10.676 1.00 0.00 O ATOM 1406 CB LYS B 71 4.208 -15.724 -8.272 1.00 0.00 C ATOM 1407 CG LYS B 71 3.886 -17.129 -8.802 1.00 0.00 C ATOM 1408 CD LYS B 71 2.412 -17.483 -8.561 1.00 0.00 C ATOM 1409 CE LYS B 71 2.142 -18.936 -8.966 1.00 0.00 C ATOM 1410 NZ LYS B 71 0.726 -19.319 -8.719 1.00 0.00 N ATOM 0 H LYS B 71 5.491 -13.491 -7.492 1.00 0.00 H new ATOM 0 HA LYS B 71 6.299 -16.245 -8.226 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.916 -15.661 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.610 -14.991 -8.814 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.106 -17.179 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS B 71 4.525 -17.862 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS B 71 2.163 -17.339 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS B 71 1.771 -16.813 -9.135 1.00 0.00 H new ATOM 0 HE2 LYS B 71 2.377 -19.070 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS B 71 2.802 -19.599 -8.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 0.579 -20.308 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 0.510 -19.215 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 0.098 -18.702 -9.273 1.00 0.00 H new ATOM 1424 N ILE B 72 6.139 -13.622 -10.098 1.00 0.00 N ATOM 1425 CA ILE B 72 6.602 -13.025 -11.367 1.00 0.00 C ATOM 1426 C ILE B 72 8.132 -13.125 -11.555 1.00 0.00 C ATOM 1427 O ILE B 72 8.593 -13.323 -12.682 1.00 0.00 O ATOM 1428 CB ILE B 72 6.084 -11.570 -11.451 1.00 0.00 C ATOM 1429 CG1 ILE B 72 4.549 -11.513 -11.643 1.00 0.00 C ATOM 1430 CG2 ILE B 72 6.777 -10.678 -12.493 1.00 0.00 C ATOM 1431 CD1 ILE B 72 4.009 -12.218 -12.898 1.00 0.00 C ATOM 0 H ILE B 72 5.861 -12.919 -9.413 1.00 0.00 H new ATOM 0 HA ILE B 72 6.187 -13.598 -12.196 1.00 0.00 H new ATOM 0 HB ILE B 72 6.351 -11.150 -10.481 1.00 0.00 H new ATOM 0 HG12 ILE B 72 4.075 -11.956 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE B 72 4.244 -10.467 -11.676 1.00 0.00 H new ATOM 0 HG21 ILE B 72 6.338 -9.681 -12.468 1.00 0.00 H new ATOM 0 HG22 ILE B 72 7.841 -10.612 -12.265 1.00 0.00 H new ATOM 0 HG23 ILE B 72 6.645 -11.108 -13.486 1.00 0.00 H new ATOM 0 HD11 ILE B 72 2.924 -12.117 -12.934 1.00 0.00 H new ATOM 0 HD12 ILE B 72 4.445 -11.763 -13.787 1.00 0.00 H new ATOM 0 HD13 ILE B 72 4.274 -13.275 -12.864 1.00 0.00 H new ATOM 1443 N GLU B 73 8.923 -13.027 -10.478 1.00 0.00 N ATOM 1444 CA GLU B 73 10.386 -13.242 -10.458 1.00 0.00 C ATOM 1445 C GLU B 73 10.805 -14.662 -10.906 1.00 0.00 C ATOM 1446 O GLU B 73 11.658 -14.769 -11.816 1.00 0.00 O ATOM 1447 CB GLU B 73 10.922 -12.907 -9.052 1.00 0.00 C ATOM 1448 CG GLU B 73 12.449 -13.029 -8.929 1.00 0.00 C ATOM 1449 CD GLU B 73 12.932 -12.609 -7.522 1.00 0.00 C ATOM 1450 OE1 GLU B 73 13.005 -13.474 -6.612 1.00 0.00 O ATOM 1451 OE2 GLU B 73 13.261 -11.415 -7.316 1.00 0.00 O ATOM 0 H GLU B 73 8.552 -12.787 -9.559 1.00 0.00 H new ATOM 0 HA GLU B 73 10.833 -12.572 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU B 73 10.625 -11.891 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU B 73 10.453 -13.572 -8.326 1.00 0.00 H new ATOM 0 HG2 GLU B 73 12.751 -14.057 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU B 73 12.928 -12.404 -9.682 1.00 0.00 H new TER 1458 GLU B 73