USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 589 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 5 CYS SG : rot 130:sc= -1.08 USER MOD Set 1.2: A 10 CYS SG : rot -162:sc= 0.0365 USER MOD Set 1.3: A 54 CYS SG : rot -65:sc= -1.66 USER MOD Set 1.4: A 57 HIS : no HD1:sc= -2.16 K(o=-4.9,f=-10!) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -117:sc= 0.0676 (180deg=-0.2) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 21 SER OG : rot 163:sc= 0.113 USER MOD Set 3.2: A 23 HIS :FLIP no HD1:sc= -1.32 F(o=-2.6,f=-1.2) USER MOD Single : A 3 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 6 SER OG : rot 130:sc= -3.87! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -7.82! C(o=-11!,f=-7.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= -0.312 (180deg=-1.38!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0928 USER MOD Single : A 33 CYS SG : rot 126:sc= -0.0317 USER MOD Single : A 34 LYS NZ :NH3+ -109:sc= -2.88 (180deg=-5.76!) USER MOD Single : A 44 ASN : amide:sc= -0.0215 K(o=-0.021,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.517 (180deg=-0.99) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -0.324 (180deg=-1.61!) USER MOD Single : A 51 SER OG : rot 24:sc= 0.543 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 100:sc= -0.669 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00966 USER MOD Single : A 62 CYS SG : rot 38:sc= -0.158 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.225 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.150 10.097 10.289 1.00 0.00 N ATOM 21 CA VAL A 2 -9.016 9.177 11.416 1.00 0.00 C ATOM 22 C VAL A 2 -7.772 8.299 11.272 1.00 0.00 C ATOM 23 O VAL A 2 -7.654 7.261 11.922 1.00 0.00 O ATOM 24 CB VAL A 2 -10.266 8.285 11.575 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.202 7.503 12.878 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.531 9.127 11.518 1.00 0.00 C ATOM 0 HA VAL A 2 -8.913 9.790 12.311 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.289 7.573 10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.091 6.880 12.973 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.314 6.871 12.880 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.154 8.197 13.717 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.403 8.482 11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.516 9.862 12.323 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.583 9.641 10.558 1.00 0.00 H new ATOM 36 N GLN A 3 -6.843 8.725 10.414 1.00 0.00 N ATOM 37 CA GLN A 3 -5.610 7.988 10.182 1.00 0.00 C ATOM 38 C GLN A 3 -4.753 8.737 9.174 1.00 0.00 C ATOM 39 O GLN A 3 -5.259 9.284 8.195 1.00 0.00 O ATOM 40 CB GLN A 3 -5.914 6.573 9.673 1.00 0.00 C ATOM 41 CG GLN A 3 -4.688 5.764 9.254 1.00 0.00 C ATOM 42 CD GLN A 3 -4.062 5.014 10.414 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.076 3.783 10.451 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.507 5.751 11.369 1.00 0.00 N ATOM 0 H GLN A 3 -6.927 9.582 9.868 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.067 7.901 11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.442 6.027 10.455 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.591 6.646 8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.973 5.054 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.947 6.433 8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.517 6.769 11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.070 5.300 12.173 1.00 0.00 H new ATOM 53 N SER A 4 -3.459 8.773 9.429 1.00 0.00 N ATOM 54 CA SER A 4 -2.534 9.478 8.551 1.00 0.00 C ATOM 55 C SER A 4 -1.866 8.548 7.547 1.00 0.00 C ATOM 56 O SER A 4 -1.957 7.323 7.637 1.00 0.00 O ATOM 57 CB SER A 4 -1.461 10.210 9.354 1.00 0.00 C ATOM 58 OG SER A 4 -1.602 9.960 10.743 1.00 0.00 O ATOM 0 H SER A 4 -3.022 8.325 10.234 1.00 0.00 H new ATOM 0 HA SER A 4 -3.131 10.203 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.473 9.890 9.022 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.529 11.281 9.166 1.00 0.00 H new ATOM 0 HG SER A 4 -0.902 10.439 11.234 1.00 0.00 H new ATOM 64 N CYS A 5 -1.197 9.171 6.587 1.00 0.00 N ATOM 65 CA CYS A 5 -0.492 8.472 5.524 1.00 0.00 C ATOM 66 C CYS A 5 0.914 9.066 5.381 1.00 0.00 C ATOM 67 O CYS A 5 1.241 10.041 6.058 1.00 0.00 O ATOM 68 CB CYS A 5 -1.342 8.561 4.238 1.00 0.00 C ATOM 69 SG CYS A 5 -0.509 9.171 2.763 1.00 0.00 S ATOM 0 H CYS A 5 -1.128 10.187 6.524 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.357 7.414 5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.736 7.568 4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.197 9.207 4.438 1.00 0.00 H new ATOM 0 HG CYS A 5 -0.727 8.357 1.773 1.00 0.00 H new ATOM 74 N SER A 6 1.758 8.477 4.534 1.00 0.00 N ATOM 75 CA SER A 6 3.124 8.975 4.376 1.00 0.00 C ATOM 76 C SER A 6 3.135 10.312 3.656 1.00 0.00 C ATOM 77 O SER A 6 3.827 11.247 4.061 1.00 0.00 O ATOM 78 CB SER A 6 3.986 7.965 3.622 1.00 0.00 C ATOM 79 OG SER A 6 5.358 8.302 3.723 1.00 0.00 O ATOM 0 H SER A 6 1.526 7.669 3.956 1.00 0.00 H new ATOM 0 HA SER A 6 3.544 9.116 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.821 6.966 4.026 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.690 7.938 2.573 1.00 0.00 H new ATOM 0 HG SER A 6 5.868 7.514 4.005 1.00 0.00 H new ATOM 85 N ALA A 7 2.359 10.391 2.587 1.00 0.00 N ATOM 86 CA ALA A 7 2.261 11.616 1.790 1.00 0.00 C ATOM 87 C ALA A 7 2.133 12.853 2.682 1.00 0.00 C ATOM 88 O ALA A 7 1.320 12.884 3.606 1.00 0.00 O ATOM 89 CB ALA A 7 1.084 11.527 0.830 1.00 0.00 C ATOM 0 H ALA A 7 1.783 9.621 2.245 1.00 0.00 H new ATOM 0 HA ALA A 7 3.180 11.717 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.023 12.444 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.223 10.677 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.162 11.396 1.396 1.00 0.00 H new ATOM 95 N TYR A 8 2.948 13.868 2.400 1.00 0.00 N ATOM 96 CA TYR A 8 2.938 15.106 3.178 1.00 0.00 C ATOM 97 C TYR A 8 1.554 15.750 3.186 1.00 0.00 C ATOM 98 O TYR A 8 0.956 15.970 2.132 1.00 0.00 O ATOM 99 CB TYR A 8 3.962 16.092 2.614 1.00 0.00 C ATOM 100 CG TYR A 8 4.244 17.262 3.530 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.525 17.063 4.876 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.226 18.564 3.048 1.00 0.00 C ATOM 103 CE1 TYR A 8 4.781 18.130 5.716 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.479 19.637 3.883 1.00 0.00 C ATOM 105 CZ TYR A 8 4.756 19.415 5.216 1.00 0.00 C ATOM 106 OH TYR A 8 5.008 20.480 6.049 1.00 0.00 O ATOM 0 H TYR A 8 3.625 13.857 1.637 1.00 0.00 H new ATOM 0 HA TYR A 8 3.202 14.854 4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.894 15.562 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.602 16.469 1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.544 16.058 5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.011 18.742 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.000 17.958 6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.460 20.644 3.493 1.00 0.00 H new ATOM 0 HH TYR A 8 4.952 21.315 5.539 1.00 0.00 H new ATOM 116 N GLY A 9 1.056 16.057 4.388 1.00 0.00 N ATOM 117 CA GLY A 9 -0.254 16.682 4.529 1.00 0.00 C ATOM 118 C GLY A 9 -1.269 16.132 3.554 1.00 0.00 C ATOM 119 O GLY A 9 -1.816 16.863 2.729 1.00 0.00 O ATOM 0 H GLY A 9 1.540 15.883 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.616 16.533 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.157 17.757 4.379 1.00 0.00 H new ATOM 123 N CYS A 10 -1.497 14.838 3.642 1.00 0.00 N ATOM 124 CA CYS A 10 -2.426 14.162 2.763 1.00 0.00 C ATOM 125 C CYS A 10 -3.880 14.400 3.183 1.00 0.00 C ATOM 126 O CYS A 10 -4.162 14.718 4.337 1.00 0.00 O ATOM 127 CB CYS A 10 -2.104 12.672 2.739 1.00 0.00 C ATOM 128 SG CYS A 10 -2.951 11.777 1.428 1.00 0.00 S ATOM 0 H CYS A 10 -1.045 14.228 4.323 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.315 14.573 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.028 12.543 2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.374 12.234 3.700 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.947 10.505 1.698 1.00 0.00 H new ATOM 133 N LYS A 11 -4.792 14.258 2.221 1.00 0.00 N ATOM 134 CA LYS A 11 -6.220 14.471 2.453 1.00 0.00 C ATOM 135 C LYS A 11 -6.890 13.249 3.079 1.00 0.00 C ATOM 136 O LYS A 11 -7.948 13.360 3.697 1.00 0.00 O ATOM 137 CB LYS A 11 -6.913 14.808 1.126 1.00 0.00 C ATOM 138 CG LYS A 11 -8.404 15.073 1.258 1.00 0.00 C ATOM 139 CD LYS A 11 -8.674 16.544 1.489 1.00 0.00 C ATOM 140 CE LYS A 11 -10.107 16.786 1.934 1.00 0.00 C ATOM 141 NZ LYS A 11 -11.010 17.054 0.781 1.00 0.00 N ATOM 0 H LYS A 11 -4.563 13.993 1.263 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.319 15.300 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.435 15.686 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.761 13.984 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.917 14.743 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.809 14.491 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.988 16.926 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.479 17.099 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.468 15.916 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.136 17.631 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.977 17.214 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.681 17.899 0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.003 16.237 0.138 1.00 0.00 H new ATOM 155 N ASN A 12 -6.271 12.091 2.892 1.00 0.00 N ATOM 156 CA ASN A 12 -6.776 10.819 3.403 1.00 0.00 C ATOM 157 C ASN A 12 -7.565 10.943 4.705 1.00 0.00 C ATOM 158 O ASN A 12 -7.417 11.903 5.461 1.00 0.00 O ATOM 159 CB ASN A 12 -5.614 9.867 3.620 1.00 0.00 C ATOM 160 CG ASN A 12 -4.858 10.161 4.898 1.00 0.00 C ATOM 161 OD1 ASN A 12 -3.932 9.290 5.230 1.00 0.00 O flip ATOM 162 ND2 ASN A 12 -5.094 11.166 5.568 1.00 0.00 N flip ATOM 0 H ASN A 12 -5.395 12.005 2.376 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.469 10.441 2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.987 8.843 3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.931 9.933 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.822 11.816 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.561 11.349 6.418 1.00 0.00 H new ATOM 169 N ARG A 13 -8.386 9.933 4.960 1.00 0.00 N ATOM 170 CA ARG A 13 -9.193 9.885 6.178 1.00 0.00 C ATOM 171 C ARG A 13 -9.876 8.532 6.335 1.00 0.00 C ATOM 172 O ARG A 13 -10.704 8.146 5.511 1.00 0.00 O ATOM 173 CB ARG A 13 -10.243 10.998 6.182 1.00 0.00 C ATOM 174 CG ARG A 13 -10.717 11.407 4.796 1.00 0.00 C ATOM 175 CD ARG A 13 -11.732 12.537 4.862 1.00 0.00 C ATOM 176 NE ARG A 13 -13.075 12.050 5.170 1.00 0.00 N ATOM 177 CZ ARG A 13 -14.070 12.830 5.583 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.878 14.134 5.740 1.00 0.00 N ATOM 179 NH2 ARG A 13 -15.262 12.306 5.839 1.00 0.00 N ATOM 0 H ARG A 13 -8.513 9.133 4.340 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.518 10.033 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.103 10.670 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.829 11.872 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.862 11.720 4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.161 10.547 4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.425 13.256 5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.748 13.066 3.909 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.260 11.053 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.964 14.542 5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.644 14.728 6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.415 11.305 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.025 12.904 6.156 1.00 0.00 H new ATOM 193 N TYR A 14 -9.530 7.816 7.403 1.00 0.00 N ATOM 194 CA TYR A 14 -10.120 6.512 7.662 1.00 0.00 C ATOM 195 C TYR A 14 -11.562 6.660 8.136 1.00 0.00 C ATOM 196 O TYR A 14 -11.841 6.605 9.333 1.00 0.00 O ATOM 197 CB TYR A 14 -9.293 5.769 8.708 1.00 0.00 C ATOM 198 CG TYR A 14 -9.753 4.348 8.945 1.00 0.00 C ATOM 199 CD1 TYR A 14 -9.300 3.309 8.142 1.00 0.00 C ATOM 200 CD2 TYR A 14 -10.637 4.046 9.973 1.00 0.00 C ATOM 201 CE1 TYR A 14 -9.717 2.009 8.356 1.00 0.00 C ATOM 202 CE2 TYR A 14 -11.058 2.748 10.193 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.595 1.734 9.383 1.00 0.00 C ATOM 204 OH TYR A 14 -11.012 0.441 9.599 1.00 0.00 O ATOM 0 H TYR A 14 -8.847 8.118 8.098 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.122 5.938 6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.250 5.757 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.335 6.317 9.649 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.611 3.521 7.338 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.001 4.838 10.611 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.357 1.212 7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.747 2.530 10.996 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.628 0.419 10.361 1.00 0.00 H new ATOM 214 N ASP A 15 -12.473 6.852 7.187 1.00 0.00 N ATOM 215 CA ASP A 15 -13.887 7.013 7.506 1.00 0.00 C ATOM 216 C ASP A 15 -14.721 5.898 6.888 1.00 0.00 C ATOM 217 O ASP A 15 -14.334 5.304 5.882 1.00 0.00 O ATOM 218 CB ASP A 15 -14.388 8.367 7.011 1.00 0.00 C ATOM 219 CG ASP A 15 -15.711 8.761 7.639 1.00 0.00 C ATOM 220 OD1 ASP A 15 -15.828 8.674 8.879 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.629 9.157 6.890 1.00 0.00 O ATOM 0 H ASP A 15 -12.257 6.900 6.191 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.994 6.962 8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.642 9.130 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.499 8.336 5.927 1.00 0.00 H new ATOM 226 N LYS A 16 -15.873 5.625 7.490 1.00 0.00 N ATOM 227 CA LYS A 16 -16.768 4.588 6.992 1.00 0.00 C ATOM 228 C LYS A 16 -17.270 4.937 5.596 1.00 0.00 C ATOM 229 O LYS A 16 -17.598 4.057 4.800 1.00 0.00 O ATOM 230 CB LYS A 16 -17.954 4.411 7.940 1.00 0.00 C ATOM 231 CG LYS A 16 -18.921 3.319 7.510 1.00 0.00 C ATOM 232 CD LYS A 16 -20.337 3.605 7.987 1.00 0.00 C ATOM 233 CE LYS A 16 -21.374 2.947 7.089 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.129 3.240 5.649 1.00 0.00 N ATOM 0 H LYS A 16 -16.209 6.108 8.324 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.211 3.653 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.580 4.181 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.494 5.355 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.913 3.232 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.589 2.360 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.457 3.244 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.504 4.682 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.359 1.869 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.368 3.297 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.032 3.228 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.689 4.178 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.494 2.519 5.251 1.00 0.00 H new ATOM 248 N ASP A 17 -17.324 6.230 5.314 1.00 0.00 N ATOM 249 CA ASP A 17 -17.781 6.721 4.026 1.00 0.00 C ATOM 250 C ASP A 17 -16.643 6.722 3.014 1.00 0.00 C ATOM 251 O ASP A 17 -16.755 6.142 1.935 1.00 0.00 O ATOM 252 CB ASP A 17 -18.331 8.136 4.187 1.00 0.00 C ATOM 253 CG ASP A 17 -19.827 8.204 3.949 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.537 7.259 4.353 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.290 9.202 3.359 1.00 0.00 O ATOM 0 H ASP A 17 -17.053 6.964 5.969 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.567 6.061 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.109 8.498 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.824 8.802 3.489 1.00 0.00 H new ATOM 260 N LYS A 18 -15.549 7.385 3.374 1.00 0.00 N ATOM 261 CA LYS A 18 -14.382 7.480 2.508 1.00 0.00 C ATOM 262 C LYS A 18 -13.651 6.138 2.425 1.00 0.00 C ATOM 263 O LYS A 18 -13.027 5.707 3.395 1.00 0.00 O ATOM 264 CB LYS A 18 -13.442 8.555 3.046 1.00 0.00 C ATOM 265 CG LYS A 18 -12.323 8.929 2.083 1.00 0.00 C ATOM 266 CD LYS A 18 -12.630 10.225 1.323 1.00 0.00 C ATOM 267 CE LYS A 18 -13.435 10.012 0.034 1.00 0.00 C ATOM 268 NZ LYS A 18 -13.999 11.294 -0.472 1.00 0.00 N ATOM 0 H LYS A 18 -15.447 7.868 4.267 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.711 7.747 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.022 9.448 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.003 8.206 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.391 9.045 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.171 8.118 1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.183 10.897 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.691 10.721 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.794 9.569 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.244 9.305 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.537 11.116 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.629 11.704 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.225 11.959 -0.673 1.00 0.00 H new ATOM 282 N PRO A 19 -13.724 5.446 1.268 1.00 0.00 N ATOM 283 CA PRO A 19 -13.076 4.141 1.075 1.00 0.00 C ATOM 284 C PRO A 19 -11.571 4.221 0.849 1.00 0.00 C ATOM 285 O PRO A 19 -10.999 3.433 0.096 1.00 0.00 O ATOM 286 CB PRO A 19 -13.737 3.620 -0.184 1.00 0.00 C ATOM 287 CG PRO A 19 -14.050 4.861 -0.957 1.00 0.00 C ATOM 288 CD PRO A 19 -14.463 5.860 0.061 1.00 0.00 C ATOM 0 HA PRO A 19 -13.191 3.518 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.074 2.958 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.639 3.051 0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.181 5.206 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.846 4.684 -1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.201 6.874 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.541 5.844 0.225 1.00 0.00 H new ATOM 296 N VAL A 20 -10.950 5.172 1.498 1.00 0.00 N ATOM 297 CA VAL A 20 -9.515 5.384 1.384 1.00 0.00 C ATOM 298 C VAL A 20 -8.729 4.367 2.216 1.00 0.00 C ATOM 299 O VAL A 20 -8.360 4.631 3.360 1.00 0.00 O ATOM 300 CB VAL A 20 -9.147 6.816 1.820 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.448 7.037 3.296 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.689 7.116 1.508 1.00 0.00 C ATOM 0 H VAL A 20 -11.419 5.827 2.124 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.244 5.246 0.337 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.765 7.510 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.178 8.056 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.511 6.881 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.870 6.333 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.451 8.132 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.050 6.411 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.519 7.020 0.436 1.00 0.00 H new ATOM 312 N SER A 21 -8.477 3.200 1.630 1.00 0.00 N ATOM 313 CA SER A 21 -7.736 2.145 2.318 1.00 0.00 C ATOM 314 C SER A 21 -6.290 2.561 2.565 1.00 0.00 C ATOM 315 O SER A 21 -5.790 3.505 1.954 1.00 0.00 O ATOM 316 CB SER A 21 -7.771 0.850 1.506 1.00 0.00 C ATOM 317 OG SER A 21 -7.884 1.118 0.119 1.00 0.00 O ATOM 0 H SER A 21 -8.773 2.961 0.684 1.00 0.00 H new ATOM 0 HA SER A 21 -8.216 1.975 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.865 0.274 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.612 0.237 1.830 1.00 0.00 H new ATOM 0 HG SER A 21 -7.635 0.319 -0.390 1.00 0.00 H new ATOM 323 N PHE A 22 -5.628 1.852 3.475 1.00 0.00 N ATOM 324 CA PHE A 22 -4.242 2.144 3.818 1.00 0.00 C ATOM 325 C PHE A 22 -3.378 0.891 3.701 1.00 0.00 C ATOM 326 O PHE A 22 -3.858 -0.226 3.895 1.00 0.00 O ATOM 327 CB PHE A 22 -4.175 2.716 5.233 1.00 0.00 C ATOM 328 CG PHE A 22 -4.632 4.147 5.309 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.932 4.492 4.974 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.759 5.148 5.700 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.353 5.810 5.028 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.172 6.467 5.750 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.472 6.800 5.414 1.00 0.00 C ATOM 0 H PHE A 22 -6.032 1.069 3.989 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.853 2.882 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.791 2.108 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.151 2.647 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.625 3.723 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.744 4.896 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.370 6.063 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.479 7.238 6.052 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.796 7.830 5.454 1.00 0.00 H new ATOM 343 N HIS A 23 -2.105 1.084 3.364 1.00 0.00 N ATOM 344 CA HIS A 23 -1.180 -0.037 3.197 1.00 0.00 C ATOM 345 C HIS A 23 0.199 0.274 3.780 1.00 0.00 C ATOM 346 O HIS A 23 0.815 1.275 3.430 1.00 0.00 O ATOM 347 CB HIS A 23 -1.036 -0.371 1.712 1.00 0.00 C ATOM 348 CG HIS A 23 -2.328 -0.314 0.957 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.164 0.723 0.712 1.00 0.00 N flip ATOM 350 CD2 HIS A 23 -2.899 -1.415 0.355 1.00 0.00 C flip ATOM 351 CE1 HIS A 23 -4.214 0.233 -0.025 1.00 0.00 C flip ATOM 352 NE2 HIS A 23 -4.030 -1.058 -0.227 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.691 2.002 3.201 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.593 -0.889 3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.329 0.324 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.610 -1.369 1.612 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.486 -2.413 0.359 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.054 0.811 -0.381 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.655 -1.676 -0.745 1.00 0.00 H new ATOM 361 N LYS A 24 0.685 -0.605 4.652 1.00 0.00 N ATOM 362 CA LYS A 24 2.004 -0.432 5.265 1.00 0.00 C ATOM 363 C LYS A 24 3.104 -0.707 4.246 1.00 0.00 C ATOM 364 O LYS A 24 2.862 -1.356 3.228 1.00 0.00 O ATOM 365 CB LYS A 24 2.159 -1.372 6.463 1.00 0.00 C ATOM 366 CG LYS A 24 1.688 -0.767 7.776 1.00 0.00 C ATOM 367 CD LYS A 24 2.798 -0.755 8.816 1.00 0.00 C ATOM 368 CE LYS A 24 2.677 -1.929 9.774 1.00 0.00 C ATOM 369 NZ LYS A 24 1.665 -1.676 10.837 1.00 0.00 N ATOM 0 H LYS A 24 0.188 -1.444 4.951 1.00 0.00 H new ATOM 0 HA LYS A 24 2.092 0.599 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.597 -2.286 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.207 -1.656 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.339 0.251 7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.839 -1.335 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.766 -0.790 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.762 0.179 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.403 -2.825 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.646 -2.124 10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.613 -2.500 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.940 -0.836 11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.735 -1.515 10.400 1.00 0.00 H new ATOM 383 N PHE A 25 4.316 -0.218 4.513 1.00 0.00 N ATOM 384 CA PHE A 25 5.425 -0.439 3.591 1.00 0.00 C ATOM 385 C PHE A 25 5.701 -1.932 3.451 1.00 0.00 C ATOM 386 O PHE A 25 5.772 -2.659 4.442 1.00 0.00 O ATOM 387 CB PHE A 25 6.678 0.328 4.024 1.00 0.00 C ATOM 388 CG PHE A 25 7.003 1.461 3.084 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.437 2.715 3.267 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.851 1.265 2.003 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.717 3.752 2.392 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.129 2.297 1.122 1.00 0.00 C ATOM 393 CZ PHE A 25 7.563 3.542 1.318 1.00 0.00 C ATOM 0 H PHE A 25 4.550 0.324 5.345 1.00 0.00 H new ATOM 0 HA PHE A 25 5.141 -0.050 2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.532 0.723 5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.524 -0.358 4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.771 2.884 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.300 0.295 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.275 4.725 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.788 2.129 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.781 4.349 0.634 1.00 0.00 H new ATOM 403 N PRO A 26 5.812 -2.414 2.203 1.00 0.00 N ATOM 404 CA PRO A 26 6.024 -3.828 1.910 1.00 0.00 C ATOM 405 C PRO A 26 7.495 -4.222 1.825 1.00 0.00 C ATOM 406 O PRO A 26 8.360 -3.389 1.554 1.00 0.00 O ATOM 407 CB PRO A 26 5.347 -3.940 0.551 1.00 0.00 C ATOM 408 CG PRO A 26 5.724 -2.674 -0.125 1.00 0.00 C ATOM 409 CD PRO A 26 5.695 -1.624 0.956 1.00 0.00 C ATOM 0 HA PRO A 26 5.636 -4.488 2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.698 -4.811 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.266 -4.038 0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.714 -2.748 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.026 -2.433 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.516 -0.915 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.771 -1.047 0.931 1.00 0.00 H new ATOM 417 N LEU A 27 7.764 -5.504 2.058 1.00 0.00 N ATOM 418 CA LEU A 27 9.117 -6.029 2.010 1.00 0.00 C ATOM 419 C LEU A 27 9.301 -6.950 0.807 1.00 0.00 C ATOM 420 O LEU A 27 10.400 -7.067 0.265 1.00 0.00 O ATOM 421 CB LEU A 27 9.446 -6.784 3.302 1.00 0.00 C ATOM 422 CG LEU A 27 8.678 -8.095 3.503 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.637 -9.241 3.788 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.666 -7.956 4.630 1.00 0.00 C ATOM 0 H LEU A 27 7.053 -6.200 2.283 1.00 0.00 H new ATOM 0 HA LEU A 27 9.801 -5.186 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.514 -7.001 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.243 -6.129 4.149 1.00 0.00 H new ATOM 0 HG LEU A 27 8.139 -8.318 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.072 -10.162 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.322 -9.359 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.205 -9.024 4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.131 -8.897 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.184 -7.706 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.956 -7.165 4.386 1.00 0.00 H new ATOM 436 N THR A 28 8.216 -7.596 0.388 1.00 0.00 N ATOM 437 CA THR A 28 8.261 -8.497 -0.758 1.00 0.00 C ATOM 438 C THR A 28 8.605 -7.719 -2.022 1.00 0.00 C ATOM 439 O THR A 28 9.160 -8.267 -2.973 1.00 0.00 O ATOM 440 CB THR A 28 6.921 -9.217 -0.927 1.00 0.00 C ATOM 441 OG1 THR A 28 5.864 -8.284 -1.065 1.00 0.00 O ATOM 442 CG2 THR A 28 6.584 -10.129 0.233 1.00 0.00 C ATOM 0 H THR A 28 7.298 -7.512 0.824 1.00 0.00 H new ATOM 0 HA THR A 28 9.034 -9.245 -0.583 1.00 0.00 H new ATOM 0 HB THR A 28 7.029 -9.824 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.016 -8.764 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.622 -10.609 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.357 -10.891 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.530 -9.545 1.151 1.00 0.00 H new ATOM 450 N ARG A 29 8.267 -6.434 -2.015 1.00 0.00 N ATOM 451 CA ARG A 29 8.528 -5.552 -3.130 1.00 0.00 C ATOM 452 C ARG A 29 9.623 -4.556 -2.750 1.00 0.00 C ATOM 453 O ARG A 29 9.340 -3.540 -2.125 1.00 0.00 O ATOM 454 CB ARG A 29 7.228 -4.831 -3.473 1.00 0.00 C ATOM 455 CG ARG A 29 7.347 -3.889 -4.648 1.00 0.00 C ATOM 456 CD ARG A 29 7.202 -2.450 -4.196 1.00 0.00 C ATOM 457 NE ARG A 29 5.839 -1.954 -4.407 1.00 0.00 N ATOM 458 CZ ARG A 29 5.519 -0.791 -4.994 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.451 0.087 -5.375 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.247 -0.497 -5.183 1.00 0.00 N ATOM 0 H ARG A 29 7.802 -5.980 -1.229 1.00 0.00 H new ATOM 0 HA ARG A 29 8.873 -6.113 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.458 -5.572 -3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.894 -4.269 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.312 -4.027 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.581 -4.123 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.459 -2.372 -3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.907 -1.823 -4.743 1.00 0.00 H new ATOM 0 HE ARG A 29 5.071 -2.541 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.438 -0.119 -5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.175 0.963 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.523 -1.150 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.988 0.383 -5.628 1.00 0.00 H new ATOM 474 N PRO A 30 10.900 -4.866 -3.080 1.00 0.00 N ATOM 475 CA PRO A 30 12.053 -4.025 -2.739 1.00 0.00 C ATOM 476 C PRO A 30 12.481 -3.031 -3.826 1.00 0.00 C ATOM 477 O PRO A 30 12.308 -1.826 -3.667 1.00 0.00 O ATOM 478 CB PRO A 30 13.128 -5.059 -2.500 1.00 0.00 C ATOM 479 CG PRO A 30 12.804 -6.196 -3.423 1.00 0.00 C ATOM 480 CD PRO A 30 11.334 -6.088 -3.777 1.00 0.00 C ATOM 0 HA PRO A 30 11.833 -3.369 -1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.117 -4.652 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.133 -5.387 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.420 -6.148 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.014 -7.152 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.185 -6.010 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.775 -6.961 -3.441 1.00 0.00 H new ATOM 488 N SER A 31 13.051 -3.518 -4.929 1.00 0.00 N ATOM 489 CA SER A 31 13.490 -2.626 -6.003 1.00 0.00 C ATOM 490 C SER A 31 12.359 -1.694 -6.385 1.00 0.00 C ATOM 491 O SER A 31 12.502 -0.472 -6.378 1.00 0.00 O ATOM 492 CB SER A 31 13.949 -3.432 -7.219 1.00 0.00 C ATOM 493 OG SER A 31 13.375 -4.729 -7.218 1.00 0.00 O ATOM 0 H SER A 31 13.218 -4.509 -5.101 1.00 0.00 H new ATOM 0 HA SER A 31 14.335 -2.036 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.670 -2.908 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.036 -3.512 -7.217 1.00 0.00 H new ATOM 0 HG SER A 31 13.683 -5.223 -8.006 1.00 0.00 H new ATOM 499 N LEU A 32 11.219 -2.292 -6.658 1.00 0.00 N ATOM 500 CA LEU A 32 10.020 -1.551 -6.987 1.00 0.00 C ATOM 501 C LEU A 32 9.694 -0.618 -5.823 1.00 0.00 C ATOM 502 O LEU A 32 9.209 0.496 -6.005 1.00 0.00 O ATOM 503 CB LEU A 32 8.879 -2.532 -7.204 1.00 0.00 C ATOM 504 CG LEU A 32 7.498 -1.917 -7.463 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.604 -0.558 -8.135 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.661 -2.848 -8.314 1.00 0.00 C ATOM 0 H LEU A 32 11.097 -3.305 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 32 10.165 -0.965 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.133 -3.172 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.809 -3.175 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 32 7.015 -1.776 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.605 -0.156 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.167 0.121 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.116 -0.664 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.683 -2.399 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.160 -3.016 -9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.536 -3.799 -7.797 1.00 0.00 H new ATOM 518 N CYS A 33 9.981 -1.104 -4.611 1.00 0.00 N ATOM 519 CA CYS A 33 9.738 -0.352 -3.383 1.00 0.00 C ATOM 520 C CYS A 33 10.324 1.048 -3.460 1.00 0.00 C ATOM 521 O CYS A 33 9.797 1.985 -2.865 1.00 0.00 O ATOM 522 CB CYS A 33 10.350 -1.085 -2.198 1.00 0.00 C ATOM 523 SG CYS A 33 9.500 -0.802 -0.628 1.00 0.00 S ATOM 0 H CYS A 33 10.387 -2.027 -4.457 1.00 0.00 H new ATOM 0 HA CYS A 33 8.659 -0.267 -3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.352 -2.154 -2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.391 -0.779 -2.095 1.00 0.00 H new ATOM 0 HG CYS A 33 9.179 -1.944 -0.097 1.00 0.00 H new ATOM 529 N LYS A 34 11.406 1.194 -4.215 1.00 0.00 N ATOM 530 CA LYS A 34 12.036 2.481 -4.386 1.00 0.00 C ATOM 531 C LYS A 34 10.973 3.465 -4.847 1.00 0.00 C ATOM 532 O LYS A 34 10.934 4.620 -4.424 1.00 0.00 O ATOM 533 CB LYS A 34 13.163 2.334 -5.421 1.00 0.00 C ATOM 534 CG LYS A 34 13.543 3.616 -6.155 1.00 0.00 C ATOM 535 CD LYS A 34 14.013 3.329 -7.578 1.00 0.00 C ATOM 536 CE LYS A 34 13.240 2.177 -8.212 1.00 0.00 C ATOM 537 NZ LYS A 34 11.767 2.359 -8.099 1.00 0.00 N ATOM 0 H LYS A 34 11.860 0.431 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 34 12.472 2.849 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.049 1.947 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.863 1.588 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.685 4.288 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.333 4.130 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.893 4.225 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.076 3.090 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.514 2.093 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.527 1.241 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.384 1.675 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.560 3.325 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.326 2.204 -9.028 1.00 0.00 H new ATOM 551 N GLU A 35 10.085 2.963 -5.695 1.00 0.00 N ATOM 552 CA GLU A 35 8.990 3.738 -6.215 1.00 0.00 C ATOM 553 C GLU A 35 8.174 4.301 -5.076 1.00 0.00 C ATOM 554 O GLU A 35 7.765 5.463 -5.084 1.00 0.00 O ATOM 555 CB GLU A 35 8.095 2.865 -7.093 1.00 0.00 C ATOM 556 CG GLU A 35 8.823 2.281 -8.269 1.00 0.00 C ATOM 557 CD GLU A 35 7.902 1.965 -9.432 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.813 2.572 -9.508 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.269 1.110 -10.264 1.00 0.00 O ATOM 0 H GLU A 35 10.113 2.002 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 35 9.394 4.554 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.680 2.057 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.254 3.459 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.591 2.981 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.334 1.370 -7.958 1.00 0.00 H new ATOM 566 N TRP A 36 7.968 3.454 -4.080 1.00 0.00 N ATOM 567 CA TRP A 36 7.212 3.843 -2.902 1.00 0.00 C ATOM 568 C TRP A 36 7.860 5.043 -2.252 1.00 0.00 C ATOM 569 O TRP A 36 7.171 5.935 -1.753 1.00 0.00 O ATOM 570 CB TRP A 36 7.056 2.690 -1.934 1.00 0.00 C ATOM 571 CG TRP A 36 5.764 1.960 -2.102 1.00 0.00 C ATOM 572 CD1 TRP A 36 5.165 1.582 -3.265 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.902 1.541 -1.052 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.981 0.933 -2.994 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.803 0.897 -1.632 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.958 1.645 0.328 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.774 0.362 -0.853 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.935 1.117 1.071 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.870 0.487 0.487 1.00 0.00 C ATOM 0 H TRP A 36 8.313 2.494 -4.064 1.00 0.00 H new ATOM 0 HA TRP A 36 6.205 4.123 -3.210 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.882 1.992 -2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.124 3.067 -0.914 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.560 1.764 -4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.343 0.544 -3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.792 2.133 0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.930 -0.135 -1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.970 1.200 2.147 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.089 0.081 1.113 1.00 0.00 H new ATOM 590 N GLU A 37 9.185 5.106 -2.311 1.00 0.00 N ATOM 591 CA GLU A 37 9.888 6.252 -1.761 1.00 0.00 C ATOM 592 C GLU A 37 9.330 7.524 -2.378 1.00 0.00 C ATOM 593 O GLU A 37 9.114 8.527 -1.697 1.00 0.00 O ATOM 594 CB GLU A 37 11.379 6.139 -2.050 1.00 0.00 C ATOM 595 CG GLU A 37 12.003 4.859 -1.523 1.00 0.00 C ATOM 596 CD GLU A 37 13.318 5.096 -0.806 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.860 6.217 -0.909 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.807 4.158 -0.142 1.00 0.00 O ATOM 0 H GLU A 37 9.782 4.391 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 37 9.746 6.281 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.537 6.194 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.892 6.993 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.305 4.375 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.166 4.172 -2.353 1.00 0.00 H new ATOM 605 N ALA A 38 9.067 7.452 -3.675 1.00 0.00 N ATOM 606 CA ALA A 38 8.502 8.577 -4.403 1.00 0.00 C ATOM 607 C ALA A 38 7.127 8.902 -3.852 1.00 0.00 C ATOM 608 O ALA A 38 6.734 10.065 -3.756 1.00 0.00 O ATOM 609 CB ALA A 38 8.427 8.269 -5.891 1.00 0.00 C ATOM 0 H ALA A 38 9.237 6.624 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 38 9.149 9.445 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.002 9.123 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.428 8.069 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.797 7.394 -6.050 1.00 0.00 H new ATOM 615 N ALA A 39 6.417 7.856 -3.459 1.00 0.00 N ATOM 616 CA ALA A 39 5.095 7.992 -2.879 1.00 0.00 C ATOM 617 C ALA A 39 5.140 8.934 -1.688 1.00 0.00 C ATOM 618 O ALA A 39 4.137 9.550 -1.326 1.00 0.00 O ATOM 619 CB ALA A 39 4.578 6.627 -2.444 1.00 0.00 C ATOM 0 H ALA A 39 6.742 6.892 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 39 4.421 8.406 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.584 6.736 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.525 5.966 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.254 6.201 -1.702 1.00 0.00 H new ATOM 625 N VAL A 40 6.312 9.018 -1.066 1.00 0.00 N ATOM 626 CA VAL A 40 6.490 9.855 0.100 1.00 0.00 C ATOM 627 C VAL A 40 7.086 11.215 -0.254 1.00 0.00 C ATOM 628 O VAL A 40 6.506 12.254 0.063 1.00 0.00 O ATOM 629 CB VAL A 40 7.391 9.144 1.130 1.00 0.00 C ATOM 630 CG1 VAL A 40 7.589 9.990 2.375 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.811 7.787 1.490 1.00 0.00 C ATOM 0 H VAL A 40 7.150 8.513 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 40 5.503 10.027 0.529 1.00 0.00 H new ATOM 0 HB VAL A 40 8.370 8.998 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.229 9.458 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.058 10.935 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.623 10.185 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.457 7.297 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.817 7.918 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.742 7.171 0.593 1.00 0.00 H new ATOM 641 N ARG A 41 8.244 11.208 -0.904 1.00 0.00 N ATOM 642 CA ARG A 41 8.906 12.446 -1.284 1.00 0.00 C ATOM 643 C ARG A 41 9.149 13.329 -0.057 1.00 0.00 C ATOM 644 O ARG A 41 9.257 14.550 -0.164 1.00 0.00 O ATOM 645 CB ARG A 41 8.049 13.182 -2.314 1.00 0.00 C ATOM 646 CG ARG A 41 8.735 14.364 -2.977 1.00 0.00 C ATOM 647 CD ARG A 41 7.713 15.370 -3.464 1.00 0.00 C ATOM 648 NE ARG A 41 8.234 16.736 -3.451 1.00 0.00 N ATOM 649 CZ ARG A 41 7.465 17.823 -3.445 1.00 0.00 C ATOM 650 NH1 ARG A 41 6.142 17.712 -3.456 1.00 0.00 N ATOM 651 NH2 ARG A 41 8.022 19.027 -3.429 1.00 0.00 N ATOM 0 H ARG A 41 8.741 10.360 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 41 9.875 12.212 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.745 12.475 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.139 13.533 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.414 14.841 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.340 14.017 -3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.404 15.110 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.824 15.316 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 41 9.246 16.864 -3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.708 16.789 -3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.560 18.550 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.038 19.119 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.434 19.861 -3.424 1.00 0.00 H new ATOM 665 N ARG A 42 9.230 12.696 1.114 1.00 0.00 N ATOM 666 CA ARG A 42 9.455 13.413 2.365 1.00 0.00 C ATOM 667 C ARG A 42 10.846 13.097 2.924 1.00 0.00 C ATOM 668 O ARG A 42 11.743 12.697 2.183 1.00 0.00 O ATOM 669 CB ARG A 42 8.377 13.021 3.383 1.00 0.00 C ATOM 670 CG ARG A 42 6.952 13.268 2.906 1.00 0.00 C ATOM 671 CD ARG A 42 6.127 13.977 3.967 1.00 0.00 C ATOM 672 NE ARG A 42 6.643 15.313 4.260 1.00 0.00 N ATOM 673 CZ ARG A 42 7.379 15.612 5.329 1.00 0.00 C ATOM 674 NH1 ARG A 42 7.711 14.674 6.208 1.00 0.00 N ATOM 675 NH2 ARG A 42 7.791 16.859 5.518 1.00 0.00 N ATOM 0 H ARG A 42 9.143 11.685 1.220 1.00 0.00 H new ATOM 0 HA ARG A 42 9.398 14.484 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.489 11.964 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.542 13.580 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.970 13.868 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.482 12.318 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.093 14.053 3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.122 13.382 4.880 1.00 0.00 H new ATOM 0 HE ARG A 42 6.426 16.064 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.402 13.712 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.275 14.915 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.544 17.585 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.355 17.091 6.336 1.00 0.00 H new ATOM 689 N LYS A 43 11.019 13.280 4.234 1.00 0.00 N ATOM 690 CA LYS A 43 12.296 13.012 4.885 1.00 0.00 C ATOM 691 C LYS A 43 12.584 11.509 4.922 1.00 0.00 C ATOM 692 O LYS A 43 12.006 10.740 4.154 1.00 0.00 O ATOM 693 CB LYS A 43 12.296 13.594 6.304 1.00 0.00 C ATOM 694 CG LYS A 43 11.453 12.803 7.293 1.00 0.00 C ATOM 695 CD LYS A 43 11.580 13.356 8.704 1.00 0.00 C ATOM 696 CE LYS A 43 10.599 12.687 9.654 1.00 0.00 C ATOM 697 NZ LYS A 43 9.188 13.021 9.320 1.00 0.00 N ATOM 0 H LYS A 43 10.288 13.613 4.863 1.00 0.00 H new ATOM 0 HA LYS A 43 13.086 13.493 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.322 13.637 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.928 14.619 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.408 12.829 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.763 11.758 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.598 13.206 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.401 14.431 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.735 11.606 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.814 12.999 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.758 13.542 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.164 13.610 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.654 12.144 9.152 1.00 0.00 H new ATOM 711 N ASN A 44 13.481 11.099 5.817 1.00 0.00 N ATOM 712 CA ASN A 44 13.844 9.691 5.950 1.00 0.00 C ATOM 713 C ASN A 44 12.679 8.869 6.503 1.00 0.00 C ATOM 714 O ASN A 44 12.730 8.402 7.640 1.00 0.00 O ATOM 715 CB ASN A 44 15.065 9.546 6.862 1.00 0.00 C ATOM 716 CG ASN A 44 16.239 10.382 6.392 1.00 0.00 C ATOM 717 OD1 ASN A 44 16.271 10.841 5.250 1.00 0.00 O ATOM 718 ND2 ASN A 44 17.212 10.585 7.273 1.00 0.00 N ATOM 0 H ASN A 44 13.969 11.722 6.460 1.00 0.00 H new ATOM 0 HA ASN A 44 14.088 9.311 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.795 9.841 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.362 8.498 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.027 11.140 7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.144 10.185 8.209 1.00 0.00 H new ATOM 725 N PHE A 45 11.633 8.701 5.684 1.00 0.00 N ATOM 726 CA PHE A 45 10.431 7.940 6.050 1.00 0.00 C ATOM 727 C PHE A 45 10.708 6.861 7.098 1.00 0.00 C ATOM 728 O PHE A 45 10.918 5.696 6.766 1.00 0.00 O ATOM 729 CB PHE A 45 9.825 7.291 4.793 1.00 0.00 C ATOM 730 CG PHE A 45 10.783 6.409 4.019 1.00 0.00 C ATOM 731 CD1 PHE A 45 12.091 6.206 4.446 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.364 5.783 2.854 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.952 5.400 3.728 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.224 4.975 2.134 1.00 0.00 C ATOM 735 CZ PHE A 45 12.520 4.784 2.571 1.00 0.00 C ATOM 0 H PHE A 45 11.596 9.092 4.743 1.00 0.00 H new ATOM 0 HA PHE A 45 9.728 8.647 6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.960 6.696 5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.461 8.078 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.437 6.685 5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.352 5.929 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.965 5.251 4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.882 4.493 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.194 4.154 2.009 1.00 0.00 H new ATOM 745 N LYS A 46 10.691 7.257 8.366 1.00 0.00 N ATOM 746 CA LYS A 46 10.928 6.319 9.461 1.00 0.00 C ATOM 747 C LYS A 46 9.832 5.251 9.494 1.00 0.00 C ATOM 748 O LYS A 46 8.680 5.543 9.812 1.00 0.00 O ATOM 749 CB LYS A 46 10.989 7.062 10.799 1.00 0.00 C ATOM 750 CG LYS A 46 11.755 6.313 11.883 1.00 0.00 C ATOM 751 CD LYS A 46 13.242 6.635 11.850 1.00 0.00 C ATOM 752 CE LYS A 46 14.023 5.598 11.060 1.00 0.00 C ATOM 753 NZ LYS A 46 13.874 4.233 11.633 1.00 0.00 N ATOM 0 H LYS A 46 10.516 8.217 8.662 1.00 0.00 H new ATOM 0 HA LYS A 46 11.887 5.828 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.456 8.035 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.973 7.248 11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.349 6.573 12.860 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.613 5.240 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.392 7.619 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.627 6.683 12.869 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.680 5.596 10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.078 5.872 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.583 3.600 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.013 4.272 12.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.921 3.872 11.426 1.00 0.00 H new ATOM 767 N PRO A 47 10.174 3.998 9.138 1.00 0.00 N ATOM 768 CA PRO A 47 9.221 2.872 9.091 1.00 0.00 C ATOM 769 C PRO A 47 8.423 2.635 10.376 1.00 0.00 C ATOM 770 O PRO A 47 7.604 1.718 10.436 1.00 0.00 O ATOM 771 CB PRO A 47 10.124 1.677 8.803 1.00 0.00 C ATOM 772 CG PRO A 47 11.199 2.275 7.995 1.00 0.00 C ATOM 773 CD PRO A 47 11.517 3.562 8.712 1.00 0.00 C ATOM 0 HA PRO A 47 8.444 3.062 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.507 1.228 9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.597 0.892 8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.070 1.621 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.875 2.458 6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.186 3.406 9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.996 4.289 8.057 1.00 0.00 H new ATOM 781 N THR A 48 8.658 3.443 11.400 1.00 0.00 N ATOM 782 CA THR A 48 7.948 3.284 12.668 1.00 0.00 C ATOM 783 C THR A 48 6.442 3.417 12.453 1.00 0.00 C ATOM 784 O THR A 48 5.730 2.416 12.387 1.00 0.00 O ATOM 785 CB THR A 48 8.440 4.319 13.699 1.00 0.00 C ATOM 786 OG1 THR A 48 7.526 4.424 14.775 1.00 0.00 O ATOM 787 CG2 THR A 48 8.626 5.707 13.122 1.00 0.00 C ATOM 0 H THR A 48 9.329 4.211 11.382 1.00 0.00 H new ATOM 0 HA THR A 48 8.156 2.288 13.058 1.00 0.00 H new ATOM 0 HB THR A 48 9.410 3.951 14.033 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.855 5.084 15.420 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.973 6.382 13.904 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.363 5.672 12.319 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.676 6.067 12.727 1.00 0.00 H new ATOM 795 N LYS A 49 5.959 4.648 12.321 1.00 0.00 N ATOM 796 CA LYS A 49 4.542 4.883 12.088 1.00 0.00 C ATOM 797 C LYS A 49 4.314 5.392 10.665 1.00 0.00 C ATOM 798 O LYS A 49 3.175 5.485 10.207 1.00 0.00 O ATOM 799 CB LYS A 49 3.972 5.871 13.115 1.00 0.00 C ATOM 800 CG LYS A 49 4.718 7.193 13.202 1.00 0.00 C ATOM 801 CD LYS A 49 4.981 7.586 14.649 1.00 0.00 C ATOM 802 CE LYS A 49 6.392 8.118 14.843 1.00 0.00 C ATOM 803 NZ LYS A 49 6.887 8.853 13.645 1.00 0.00 N ATOM 0 H LYS A 49 6.527 5.494 12.371 1.00 0.00 H new ATOM 0 HA LYS A 49 4.015 3.936 12.206 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.930 6.072 12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.980 5.399 14.097 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.664 7.115 12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.137 7.974 12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.261 8.345 14.956 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.827 6.721 15.294 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.413 8.781 15.708 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.064 7.288 15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.581 9.569 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.337 8.184 12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.088 9.320 13.170 1.00 0.00 H new ATOM 817 N TYR A 50 5.404 5.725 9.964 1.00 0.00 N ATOM 818 CA TYR A 50 5.305 6.222 8.598 1.00 0.00 C ATOM 819 C TYR A 50 5.248 5.087 7.571 1.00 0.00 C ATOM 820 O TYR A 50 4.766 5.293 6.459 1.00 0.00 O ATOM 821 CB TYR A 50 6.471 7.159 8.278 1.00 0.00 C ATOM 822 CG TYR A 50 6.415 8.469 9.030 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.229 9.183 9.129 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.549 8.991 9.639 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.173 10.382 9.812 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.501 10.190 10.325 1.00 0.00 C ATOM 827 CZ TYR A 50 6.310 10.882 10.409 1.00 0.00 C ATOM 828 OH TYR A 50 6.259 12.076 11.091 1.00 0.00 O ATOM 0 H TYR A 50 6.357 5.658 10.322 1.00 0.00 H new ATOM 0 HA TYR A 50 4.369 6.776 8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.408 6.654 8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.479 7.364 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.335 8.794 8.664 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.483 8.452 9.576 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.242 10.926 9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.391 10.583 10.793 1.00 0.00 H new ATOM 0 HH TYR A 50 7.146 12.285 11.452 1.00 0.00 H new ATOM 838 N SER A 51 5.746 3.895 7.931 1.00 0.00 N ATOM 839 CA SER A 51 5.740 2.752 7.015 1.00 0.00 C ATOM 840 C SER A 51 4.330 2.436 6.506 1.00 0.00 C ATOM 841 O SER A 51 3.747 1.414 6.870 1.00 0.00 O ATOM 842 CB SER A 51 6.315 1.516 7.715 1.00 0.00 C ATOM 843 OG SER A 51 5.393 0.982 8.648 1.00 0.00 O ATOM 0 H SER A 51 6.155 3.701 8.845 1.00 0.00 H new ATOM 0 HA SER A 51 6.359 3.018 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.566 0.758 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.241 1.781 8.225 1.00 0.00 H new ATOM 0 HG SER A 51 4.483 1.241 8.393 1.00 0.00 H new ATOM 849 N SER A 52 3.786 3.305 5.657 1.00 0.00 N ATOM 850 CA SER A 52 2.451 3.092 5.106 1.00 0.00 C ATOM 851 C SER A 52 2.090 4.156 4.078 1.00 0.00 C ATOM 852 O SER A 52 2.622 5.264 4.092 1.00 0.00 O ATOM 853 CB SER A 52 1.408 3.068 6.222 1.00 0.00 C ATOM 854 OG SER A 52 1.356 4.312 6.897 1.00 0.00 O ATOM 0 H SER A 52 4.246 4.158 5.338 1.00 0.00 H new ATOM 0 HA SER A 52 2.457 2.126 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.428 2.836 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.647 2.276 6.931 1.00 0.00 H new ATOM 0 HG SER A 52 0.680 4.272 7.605 1.00 0.00 H new ATOM 860 N ILE A 53 1.185 3.791 3.183 1.00 0.00 N ATOM 861 CA ILE A 53 0.730 4.666 2.121 1.00 0.00 C ATOM 862 C ILE A 53 -0.787 4.558 2.017 1.00 0.00 C ATOM 863 O ILE A 53 -1.361 3.553 2.438 1.00 0.00 O ATOM 864 CB ILE A 53 1.361 4.223 0.785 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.872 3.971 0.947 1.00 0.00 C ATOM 866 CG2 ILE A 53 1.083 5.209 -0.353 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.736 5.213 1.013 1.00 0.00 C ATOM 0 H ILE A 53 0.744 2.871 3.176 1.00 0.00 H new ATOM 0 HA ILE A 53 1.021 5.694 2.336 1.00 0.00 H new ATOM 0 HB ILE A 53 0.883 3.284 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.031 3.390 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.212 3.357 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.550 4.848 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.007 5.296 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.494 6.186 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.781 4.924 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.617 5.788 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.433 5.822 1.865 1.00 0.00 H new ATOM 879 N CYS A 54 -1.446 5.574 1.475 1.00 0.00 N ATOM 880 CA CYS A 54 -2.892 5.530 1.361 1.00 0.00 C ATOM 881 C CYS A 54 -3.313 5.353 -0.111 1.00 0.00 C ATOM 882 O CYS A 54 -2.519 5.600 -1.020 1.00 0.00 O ATOM 883 CB CYS A 54 -3.498 6.776 2.009 1.00 0.00 C ATOM 884 SG CYS A 54 -3.725 8.179 0.907 1.00 0.00 S ATOM 0 H CYS A 54 -1.010 6.422 1.114 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.280 4.664 1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.465 6.510 2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.858 7.084 2.836 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.565 8.609 0.508 1.00 0.00 H new ATOM 889 N SER A 55 -4.539 4.870 -0.335 1.00 0.00 N ATOM 890 CA SER A 55 -5.036 4.596 -1.688 1.00 0.00 C ATOM 891 C SER A 55 -5.023 5.817 -2.615 1.00 0.00 C ATOM 892 O SER A 55 -4.765 5.683 -3.811 1.00 0.00 O ATOM 893 CB SER A 55 -6.456 4.030 -1.614 1.00 0.00 C ATOM 894 OG SER A 55 -7.254 4.773 -0.709 1.00 0.00 O ATOM 0 H SER A 55 -5.208 4.660 0.406 1.00 0.00 H new ATOM 0 HA SER A 55 -4.348 3.870 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.910 4.049 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.419 2.987 -1.300 1.00 0.00 H new ATOM 0 HG SER A 55 -7.817 5.401 -1.209 1.00 0.00 H new ATOM 900 N GLU A 56 -5.333 6.991 -2.077 1.00 0.00 N ATOM 901 CA GLU A 56 -5.390 8.214 -2.845 1.00 0.00 C ATOM 902 C GLU A 56 -4.280 8.336 -3.901 1.00 0.00 C ATOM 903 O GLU A 56 -4.451 9.029 -4.903 1.00 0.00 O ATOM 904 CB GLU A 56 -5.336 9.386 -1.882 1.00 0.00 C ATOM 905 CG GLU A 56 -6.447 9.364 -0.857 1.00 0.00 C ATOM 906 CD GLU A 56 -6.840 10.752 -0.390 1.00 0.00 C ATOM 907 OE1 GLU A 56 -5.937 11.596 -0.212 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.051 10.994 -0.201 1.00 0.00 O ATOM 0 H GLU A 56 -5.552 7.114 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.324 8.208 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.375 9.382 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.390 10.316 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.319 8.868 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.132 8.772 0.002 1.00 0.00 H new ATOM 915 N HIS A 57 -3.144 7.686 -3.666 1.00 0.00 N ATOM 916 CA HIS A 57 -2.014 7.759 -4.599 1.00 0.00 C ATOM 917 C HIS A 57 -1.940 6.530 -5.497 1.00 0.00 C ATOM 918 O HIS A 57 -1.386 6.589 -6.595 1.00 0.00 O ATOM 919 CB HIS A 57 -0.706 7.915 -3.810 1.00 0.00 C ATOM 920 CG HIS A 57 -0.855 8.818 -2.641 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.328 10.110 -2.733 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.652 8.575 -1.333 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.414 10.623 -1.513 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.010 9.707 -0.644 1.00 0.00 N ATOM 0 H HIS A 57 -2.978 7.105 -2.844 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.164 8.626 -5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.372 6.935 -3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.069 8.304 -4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.276 7.658 -0.904 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.755 11.618 -1.269 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.972 9.824 0.369 1.00 0.00 H new ATOM 932 N PHE A 58 -2.489 5.418 -5.030 1.00 0.00 N ATOM 933 CA PHE A 58 -2.469 4.184 -5.802 1.00 0.00 C ATOM 934 C PHE A 58 -3.572 4.177 -6.861 1.00 0.00 C ATOM 935 O PHE A 58 -4.606 4.823 -6.693 1.00 0.00 O ATOM 936 CB PHE A 58 -2.640 2.982 -4.876 1.00 0.00 C ATOM 937 CG PHE A 58 -1.378 2.620 -4.160 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.341 2.003 -4.836 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.221 2.911 -2.816 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.829 1.677 -4.185 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.053 2.591 -2.160 1.00 0.00 C ATOM 942 CZ PHE A 58 0.972 1.973 -2.845 1.00 0.00 C ATOM 0 H PHE A 58 -2.952 5.345 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.505 4.120 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.418 3.200 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.981 2.126 -5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.449 1.774 -5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.022 3.394 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.631 1.192 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.060 2.824 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.888 1.720 -2.332 1.00 0.00 H new ATOM 952 N THR A 59 -3.352 3.433 -7.943 1.00 0.00 N ATOM 953 CA THR A 59 -4.341 3.335 -9.013 1.00 0.00 C ATOM 954 C THR A 59 -5.315 2.193 -8.741 1.00 0.00 C ATOM 955 O THR A 59 -4.931 1.143 -8.225 1.00 0.00 O ATOM 956 CB THR A 59 -3.667 3.111 -10.374 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.656 2.125 -10.273 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.032 4.354 -10.977 1.00 0.00 C ATOM 0 H THR A 59 -2.502 2.892 -8.101 1.00 0.00 H new ATOM 0 HA THR A 59 -4.886 4.279 -9.041 1.00 0.00 H new ATOM 0 HB THR A 59 -4.478 2.798 -11.031 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.238 1.994 -11.150 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.580 4.103 -11.937 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.796 5.118 -11.124 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.264 4.734 -10.303 1.00 0.00 H new ATOM 966 N PRO A 60 -6.592 2.386 -9.099 1.00 0.00 N ATOM 967 CA PRO A 60 -7.642 1.376 -8.911 1.00 0.00 C ATOM 968 C PRO A 60 -7.238 0.021 -9.475 1.00 0.00 C ATOM 969 O PRO A 60 -7.541 -1.024 -8.898 1.00 0.00 O ATOM 970 CB PRO A 60 -8.812 1.947 -9.714 1.00 0.00 C ATOM 971 CG PRO A 60 -8.596 3.406 -9.685 1.00 0.00 C ATOM 972 CD PRO A 60 -7.114 3.608 -9.729 1.00 0.00 C ATOM 0 HA PRO A 60 -7.863 1.200 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.817 1.566 -10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.770 1.678 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.080 3.888 -10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.022 3.845 -8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.753 3.720 -10.751 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.813 4.503 -9.184 1.00 0.00 H new ATOM 980 N ASP A 61 -6.560 0.052 -10.615 1.00 0.00 N ATOM 981 CA ASP A 61 -6.114 -1.170 -11.280 1.00 0.00 C ATOM 982 C ASP A 61 -5.171 -1.977 -10.395 1.00 0.00 C ATOM 983 O ASP A 61 -5.063 -3.194 -10.534 1.00 0.00 O ATOM 984 CB ASP A 61 -5.425 -0.832 -12.603 1.00 0.00 C ATOM 985 CG ASP A 61 -5.160 -2.064 -13.447 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.136 -2.663 -13.946 1.00 0.00 O ATOM 987 OD2 ASP A 61 -3.977 -2.429 -13.610 1.00 0.00 O ATOM 0 H ASP A 61 -6.305 0.912 -11.101 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.996 -1.780 -11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.047 -0.136 -13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.482 -0.324 -12.399 1.00 0.00 H new ATOM 992 N CYS A 62 -4.488 -1.291 -9.489 1.00 0.00 N ATOM 993 CA CYS A 62 -3.551 -1.939 -8.584 1.00 0.00 C ATOM 994 C CYS A 62 -4.282 -2.663 -7.447 1.00 0.00 C ATOM 995 O CYS A 62 -3.650 -3.310 -6.611 1.00 0.00 O ATOM 996 CB CYS A 62 -2.551 -0.902 -8.042 1.00 0.00 C ATOM 997 SG CYS A 62 -2.667 -0.564 -6.265 1.00 0.00 S ATOM 0 H CYS A 62 -4.566 -0.282 -9.362 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.998 -2.698 -9.137 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.541 -1.246 -8.264 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.695 0.033 -8.583 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.918 -1.669 -5.629 1.00 0.00 H new ATOM 1003 N PHE A 63 -5.611 -2.557 -7.420 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.408 -3.209 -6.387 1.00 0.00 C ATOM 1005 C PHE A 63 -6.988 -4.520 -6.908 1.00 0.00 C ATOM 1006 O PHE A 63 -8.168 -4.811 -6.711 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.535 -2.285 -5.916 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.108 -1.282 -4.879 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.779 -0.905 -4.761 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -8.039 -0.714 -4.024 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.387 0.017 -3.810 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.653 0.209 -3.070 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.325 0.575 -2.963 1.00 0.00 C ATOM 0 H PHE A 63 -6.155 -2.027 -8.101 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.758 -3.427 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.939 -1.753 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.343 -2.892 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.041 -1.337 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.079 -0.996 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.348 0.301 -3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.389 0.643 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.021 1.296 -2.219 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.332 -4.260 -2.686 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.077 -3.602 -3.018 1.00 0.00 C ATOM 1166 C LEU A 72 0.933 -4.620 -3.548 1.00 0.00 C ATOM 1167 O LEU A 72 2.107 -4.602 -3.178 1.00 0.00 O ATOM 1168 CB LEU A 72 0.488 -2.872 -1.797 1.00 0.00 C ATOM 1169 CG LEU A 72 0.951 -3.777 -0.655 1.00 0.00 C ATOM 1170 CD1 LEU A 72 1.913 -3.032 0.260 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -0.244 -4.294 0.132 1.00 0.00 C ATOM 0 HA LEU A 72 -0.269 -2.866 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.330 -2.259 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.274 -2.193 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 72 1.477 -4.631 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.232 -3.692 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.784 -2.711 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.413 -2.160 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.104 -4.937 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.797 -3.452 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.896 -4.864 -0.530 1.00 0.00 H new ATOM 1183 N LYS A 73 0.455 -5.514 -4.413 1.00 0.00 N ATOM 1184 CA LYS A 73 1.294 -6.557 -5.000 1.00 0.00 C ATOM 1185 C LYS A 73 2.407 -5.973 -5.864 1.00 0.00 C ATOM 1186 O LYS A 73 2.536 -4.757 -6.003 1.00 0.00 O ATOM 1187 CB LYS A 73 0.439 -7.511 -5.835 1.00 0.00 C ATOM 1188 CG LYS A 73 -0.270 -8.569 -5.005 1.00 0.00 C ATOM 1189 CD LYS A 73 -1.382 -7.963 -4.166 1.00 0.00 C ATOM 1190 CE LYS A 73 -2.457 -7.331 -5.037 1.00 0.00 C ATOM 1191 NZ LYS A 73 -3.689 -7.017 -4.262 1.00 0.00 N ATOM 0 H LYS A 73 -0.516 -5.536 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 73 1.760 -7.103 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.304 -6.934 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.072 -8.003 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.684 -9.333 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.450 -9.065 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.828 -8.735 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.965 -7.210 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.069 -6.417 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.706 -8.008 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.396 -6.588 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.075 -7.892 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.458 -6.351 -3.497 1.00 0.00 H new ATOM 1205 N GLU A 74 3.211 -6.867 -6.436 1.00 0.00 N ATOM 1206 CA GLU A 74 4.331 -6.477 -7.291 1.00 0.00 C ATOM 1207 C GLU A 74 3.926 -5.405 -8.297 1.00 0.00 C ATOM 1208 O GLU A 74 4.740 -4.582 -8.703 1.00 0.00 O ATOM 1209 CB GLU A 74 4.884 -7.700 -8.027 1.00 0.00 C ATOM 1210 CG GLU A 74 6.037 -7.380 -8.966 1.00 0.00 C ATOM 1211 CD GLU A 74 7.291 -8.170 -8.644 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.315 -9.387 -8.921 1.00 0.00 O ATOM 1213 OE2 GLU A 74 8.251 -7.570 -8.114 1.00 0.00 O ATOM 0 H GLU A 74 3.106 -7.875 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 74 5.106 -6.058 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.218 -8.434 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.080 -8.163 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.734 -7.590 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.260 -6.314 -8.911 1.00 0.00 H new ATOM 1220 N ASN A 75 2.665 -5.420 -8.691 1.00 0.00 N ATOM 1221 CA ASN A 75 2.152 -4.444 -9.645 1.00 0.00 C ATOM 1222 C ASN A 75 2.058 -3.071 -8.999 1.00 0.00 C ATOM 1223 O ASN A 75 2.391 -2.052 -9.605 1.00 0.00 O ATOM 1224 CB ASN A 75 0.775 -4.870 -10.150 1.00 0.00 C ATOM 1225 CG ASN A 75 0.835 -6.117 -11.010 1.00 0.00 C ATOM 1226 OD1 ASN A 75 1.601 -6.187 -11.971 1.00 0.00 O ATOM 1227 ND2 ASN A 75 0.025 -7.112 -10.665 1.00 0.00 N ATOM 0 H ASN A 75 1.974 -6.097 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 75 2.841 -4.393 -10.488 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.119 -5.050 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.334 -4.056 -10.725 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.022 -7.978 -11.205 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.594 -7.010 -9.860 1.00 0.00 H new ATOM 1234 N ALA A 76 1.580 -3.073 -7.764 1.00 0.00 N ATOM 1235 CA ALA A 76 1.392 -1.865 -6.973 1.00 0.00 C ATOM 1236 C ALA A 76 2.407 -0.775 -7.278 1.00 0.00 C ATOM 1237 O ALA A 76 3.575 -1.049 -7.556 1.00 0.00 O ATOM 1238 CB ALA A 76 1.411 -2.212 -5.496 1.00 0.00 C ATOM 0 H ALA A 76 1.308 -3.926 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 76 0.420 -1.455 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.270 -1.305 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.608 -2.915 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.369 -2.665 -5.241 1.00 0.00 H new ATOM 1244 N VAL A 77 1.927 0.464 -7.224 1.00 0.00 N ATOM 1245 CA VAL A 77 2.742 1.637 -7.490 1.00 0.00 C ATOM 1246 C VAL A 77 1.940 2.907 -7.164 1.00 0.00 C ATOM 1247 O VAL A 77 0.752 2.989 -7.475 1.00 0.00 O ATOM 1248 CB VAL A 77 3.179 1.655 -8.976 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.408 3.075 -9.485 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.427 0.811 -9.182 1.00 0.00 C ATOM 0 H VAL A 77 0.957 0.680 -6.993 1.00 0.00 H new ATOM 0 HA VAL A 77 3.633 1.603 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 77 2.363 1.224 -9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.713 3.042 -10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.485 3.647 -9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.190 3.552 -8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.715 0.838 -10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.239 1.207 -8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.222 -0.219 -8.889 1.00 0.00 H new ATOM 1260 N PRO A 78 2.571 3.913 -6.532 1.00 0.00 N ATOM 1261 CA PRO A 78 1.911 5.169 -6.167 1.00 0.00 C ATOM 1262 C PRO A 78 1.959 6.218 -7.278 1.00 0.00 C ATOM 1263 O PRO A 78 2.068 7.411 -7.001 1.00 0.00 O ATOM 1264 CB PRO A 78 2.724 5.630 -4.976 1.00 0.00 C ATOM 1265 CG PRO A 78 4.110 5.153 -5.258 1.00 0.00 C ATOM 1266 CD PRO A 78 3.982 3.911 -6.109 1.00 0.00 C ATOM 0 HA PRO A 78 0.848 5.030 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.692 6.714 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.341 5.208 -4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.684 5.920 -5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.639 4.933 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.656 3.943 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.228 3.012 -5.543 1.00 0.00 H new ATOM 1274 N THR A 79 1.891 5.749 -8.526 1.00 0.00 N ATOM 1275 CA THR A 79 1.933 6.596 -9.732 1.00 0.00 C ATOM 1276 C THR A 79 1.948 8.104 -9.451 1.00 0.00 C ATOM 1277 O THR A 79 2.844 8.811 -9.914 1.00 0.00 O ATOM 1278 CB THR A 79 0.743 6.266 -10.633 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.477 6.586 -9.988 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.682 4.809 -11.035 1.00 0.00 C ATOM 0 H THR A 79 1.804 4.755 -8.736 1.00 0.00 H new ATOM 0 HA THR A 79 2.880 6.367 -10.221 1.00 0.00 H new ATOM 0 HB THR A 79 0.885 6.867 -11.531 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.187 6.678 -10.658 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.186 4.644 -11.673 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.588 4.543 -11.579 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.599 4.189 -10.143 1.00 0.00 H new ATOM 1288 N ILE A 80 0.944 8.601 -8.728 1.00 0.00 N ATOM 1289 CA ILE A 80 0.838 10.021 -8.433 1.00 0.00 C ATOM 1290 C ILE A 80 2.188 10.669 -8.099 1.00 0.00 C ATOM 1291 O ILE A 80 2.389 11.857 -8.355 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.175 10.282 -7.312 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.562 10.215 -7.927 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.046 11.642 -6.651 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.665 10.341 -6.925 1.00 0.00 C ATOM 0 H ILE A 80 0.192 8.034 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 80 0.480 10.492 -9.348 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.055 9.532 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.662 11.009 -8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.670 9.269 -8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.692 11.788 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.047 11.680 -6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.059 12.430 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.627 10.285 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.591 9.532 -6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.582 11.299 -6.411 1.00 0.00 H new ATOM 1307 N PHE A 81 3.109 9.892 -7.531 1.00 0.00 N ATOM 1308 CA PHE A 81 4.420 10.406 -7.176 1.00 0.00 C ATOM 1309 C PHE A 81 5.517 9.763 -8.025 1.00 0.00 C ATOM 1310 O PHE A 81 6.655 10.233 -8.042 1.00 0.00 O ATOM 1311 CB PHE A 81 4.718 10.207 -5.679 1.00 0.00 C ATOM 1312 CG PHE A 81 3.621 10.679 -4.768 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.332 10.192 -4.897 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.885 11.606 -3.772 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.329 10.618 -4.058 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.882 12.036 -2.924 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.600 11.540 -3.069 1.00 0.00 C ATOM 0 H PHE A 81 2.967 8.907 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 81 4.410 11.477 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.900 9.148 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.637 10.737 -5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.111 9.468 -5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.885 11.997 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.328 10.230 -4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.099 12.757 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.813 11.874 -2.409 1.00 0.00 H new ATOM 1327 N LEU A 82 5.169 8.693 -8.736 1.00 0.00 N ATOM 1328 CA LEU A 82 6.121 7.995 -9.594 1.00 0.00 C ATOM 1329 C LEU A 82 6.745 8.957 -10.603 1.00 0.00 C ATOM 1330 O LEU A 82 6.154 9.980 -10.946 1.00 0.00 O ATOM 1331 CB LEU A 82 5.425 6.841 -10.322 1.00 0.00 C ATOM 1332 CG LEU A 82 6.288 6.102 -11.345 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.320 5.231 -10.643 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.415 5.261 -12.265 1.00 0.00 C ATOM 0 H LEU A 82 4.232 8.290 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 82 6.917 7.590 -8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.074 6.123 -9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.543 7.232 -10.829 1.00 0.00 H new ATOM 0 HG LEU A 82 6.817 6.839 -11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.925 4.713 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.963 5.856 -10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.812 4.499 -10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.044 4.741 -12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.861 4.531 -11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.714 5.908 -12.793 1.00 0.00 H new