USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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 70 GLN : amide:sc= -1.8 K(o=-1.8,f=-4.3!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 ASN : amide:sc= -9.75! C(o=-12!,f=-11!) USER MOD Set 2.3: A 78 CYS SG : rot 172:sc= -2.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= -0.504 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 140:sc= 0 USER MOD Single : A 21 SER OG : rot 24:sc= 0.0732 USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= 0.606 (180deg=-0.0327) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.27) USER MOD Single : A 28 GLN : amide:sc= -9.85! C(o=-9.9!,f=-13!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -102:sc= -0.317 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -100:sc= -1.18 USER MOD Single : A 49 GLN : amide:sc= -0.816 K(o=-0.82,f=-4.3!) USER MOD Single : A 51 ASN : amide:sc= -0.318 K(o=-0.32,f=-5!) USER MOD Single : A 57 MET CE :methyl -146:sc= -0.857 (180deg=-3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.0056) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.17) USER MOD Single : A 76 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : A 81 TYR OH : rot -140:sc= 0.772 USER MOD Single : A 90 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 94 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.627 -2.323 -26.277 1.00 0.00 N ATOM 2 CA GLY A 1 18.406 -2.431 -24.845 1.00 0.00 C ATOM 3 C GLY A 1 17.599 -3.686 -24.508 1.00 0.00 C ATOM 4 O GLY A 1 16.412 -3.768 -24.819 1.00 0.00 O ATOM 0 H1 GLY A 1 19.177 -1.464 -26.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.152 -3.156 -26.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.711 -2.272 -26.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.364 -2.461 -24.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.877 -1.547 -24.487 1.00 0.00 H new ATOM 8 N SER A 2 18.276 -4.634 -23.875 1.00 0.00 N ATOM 9 CA SER A 2 17.637 -5.881 -23.493 1.00 0.00 C ATOM 10 C SER A 2 18.030 -6.253 -22.062 1.00 0.00 C ATOM 11 O SER A 2 19.064 -6.883 -21.842 1.00 0.00 O ATOM 12 CB SER A 2 18.010 -7.010 -24.456 1.00 0.00 C ATOM 13 OG SER A 2 16.973 -7.273 -25.397 1.00 0.00 O ATOM 0 H SER A 2 19.260 -4.563 -23.618 1.00 0.00 H new ATOM 0 HA SER A 2 16.557 -5.740 -23.542 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.924 -6.746 -24.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.222 -7.916 -23.888 1.00 0.00 H new ATOM 0 HG SER A 2 17.250 -7.998 -25.995 1.00 0.00 H new ATOM 19 N GLU A 3 17.186 -5.847 -21.125 1.00 0.00 N ATOM 20 CA GLU A 3 17.432 -6.130 -19.721 1.00 0.00 C ATOM 21 C GLU A 3 17.841 -7.593 -19.539 1.00 0.00 C ATOM 22 O GLU A 3 17.393 -8.464 -20.282 1.00 0.00 O ATOM 23 CB GLU A 3 16.206 -5.793 -18.870 1.00 0.00 C ATOM 24 CG GLU A 3 16.411 -4.482 -18.109 1.00 0.00 C ATOM 25 CD GLU A 3 15.266 -4.234 -17.126 1.00 0.00 C ATOM 26 OE1 GLU A 3 14.935 -5.187 -16.388 1.00 0.00 O ATOM 27 OE2 GLU A 3 14.746 -3.097 -17.134 1.00 0.00 O ATOM 0 H GLU A 3 16.330 -5.324 -21.311 1.00 0.00 H new ATOM 0 HA GLU A 3 18.253 -5.498 -19.381 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.326 -5.713 -19.509 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.015 -6.601 -18.164 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.358 -4.515 -17.569 1.00 0.00 H new ATOM 0 HG3 GLU A 3 16.475 -3.654 -18.815 1.00 0.00 H new ATOM 34 N GLY A 4 18.688 -7.818 -18.544 1.00 0.00 N ATOM 35 CA GLY A 4 19.162 -9.160 -18.254 1.00 0.00 C ATOM 36 C GLY A 4 18.010 -10.065 -17.812 1.00 0.00 C ATOM 37 O GLY A 4 17.126 -10.383 -18.606 1.00 0.00 O ATOM 0 H GLY A 4 19.058 -7.093 -17.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.640 -9.580 -19.139 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.919 -9.121 -17.471 1.00 0.00 H new ATOM 41 N ALA A 5 18.058 -10.454 -16.546 1.00 0.00 N ATOM 42 CA ALA A 5 17.029 -11.316 -15.989 1.00 0.00 C ATOM 43 C ALA A 5 17.048 -11.205 -14.463 1.00 0.00 C ATOM 44 O ALA A 5 18.001 -11.639 -13.818 1.00 0.00 O ATOM 45 CB ALA A 5 17.249 -12.751 -16.472 1.00 0.00 C ATOM 0 H ALA A 5 18.793 -10.188 -15.891 1.00 0.00 H new ATOM 0 HA ALA A 5 16.042 -11.005 -16.330 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.477 -13.398 -16.054 1.00 0.00 H new ATOM 0 HB2 ALA A 5 17.197 -12.781 -17.560 1.00 0.00 H new ATOM 0 HB3 ALA A 5 18.229 -13.098 -16.146 1.00 0.00 H new ATOM 51 N ALA A 6 15.985 -10.621 -13.931 1.00 0.00 N ATOM 52 CA ALA A 6 15.867 -10.447 -12.493 1.00 0.00 C ATOM 53 C ALA A 6 14.388 -10.347 -12.115 1.00 0.00 C ATOM 54 O ALA A 6 13.676 -9.473 -12.606 1.00 0.00 O ATOM 55 CB ALA A 6 16.664 -9.214 -12.061 1.00 0.00 C ATOM 0 H ALA A 6 15.197 -10.262 -14.470 1.00 0.00 H new ATOM 0 HA ALA A 6 16.284 -11.306 -11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 6 16.576 -9.083 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 6 17.713 -9.348 -12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.272 -8.332 -12.567 1.00 0.00 H new ATOM 61 N THR A 7 13.970 -11.255 -11.245 1.00 0.00 N ATOM 62 CA THR A 7 12.589 -11.280 -10.796 1.00 0.00 C ATOM 63 C THR A 7 12.525 -11.264 -9.267 1.00 0.00 C ATOM 64 O THR A 7 12.052 -12.218 -8.651 1.00 0.00 O ATOM 65 CB THR A 7 11.911 -12.503 -11.419 1.00 0.00 C ATOM 66 OG1 THR A 7 11.798 -12.170 -12.800 1.00 0.00 O ATOM 67 CG2 THR A 7 10.462 -12.668 -10.955 1.00 0.00 C ATOM 0 H THR A 7 14.564 -11.978 -10.839 1.00 0.00 H new ATOM 0 HA THR A 7 12.051 -10.390 -11.123 1.00 0.00 H new ATOM 0 HB THR A 7 12.477 -13.400 -11.168 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.370 -12.909 -13.281 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.027 -13.550 -11.426 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.438 -12.786 -9.872 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.887 -11.786 -11.236 1.00 0.00 H new ATOM 75 N MET A 8 13.008 -10.169 -8.699 1.00 0.00 N ATOM 76 CA MET A 8 13.012 -10.015 -7.254 1.00 0.00 C ATOM 77 C MET A 8 12.828 -8.549 -6.858 1.00 0.00 C ATOM 78 O MET A 8 13.639 -7.698 -7.220 1.00 0.00 O ATOM 79 CB MET A 8 14.335 -10.535 -6.689 1.00 0.00 C ATOM 80 CG MET A 8 14.331 -10.495 -5.159 1.00 0.00 C ATOM 81 SD MET A 8 14.106 -12.141 -4.506 1.00 0.00 S ATOM 82 CE MET A 8 13.680 -11.749 -2.817 1.00 0.00 C ATOM 0 H MET A 8 13.399 -9.380 -9.213 1.00 0.00 H new ATOM 0 HA MET A 8 12.181 -10.589 -6.844 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.503 -11.557 -7.029 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.159 -9.932 -7.070 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.269 -10.076 -4.796 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.532 -9.843 -4.806 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.505 -12.671 -2.263 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.498 -11.197 -2.354 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.777 -11.139 -2.802 1.00 0.00 H new ATOM 92 N SER A 9 11.757 -8.298 -6.119 1.00 0.00 N ATOM 93 CA SER A 9 11.457 -6.949 -5.670 1.00 0.00 C ATOM 94 C SER A 9 10.893 -6.984 -4.248 1.00 0.00 C ATOM 95 O SER A 9 11.398 -6.301 -3.359 1.00 0.00 O ATOM 96 CB SER A 9 10.470 -6.260 -6.616 1.00 0.00 C ATOM 97 OG SER A 9 9.843 -5.136 -6.006 1.00 0.00 O ATOM 0 H SER A 9 11.086 -9.006 -5.820 1.00 0.00 H new ATOM 0 HA SER A 9 12.383 -6.374 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.994 -5.939 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.709 -6.974 -6.929 1.00 0.00 H new ATOM 0 HG SER A 9 9.222 -4.723 -6.642 1.00 0.00 H new ATOM 103 N GLY A 10 9.853 -7.788 -4.078 1.00 0.00 N ATOM 104 CA GLY A 10 9.215 -7.921 -2.780 1.00 0.00 C ATOM 105 C GLY A 10 8.460 -6.643 -2.406 1.00 0.00 C ATOM 106 O GLY A 10 8.801 -5.981 -1.427 1.00 0.00 O ATOM 0 H GLY A 10 9.437 -8.354 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.525 -8.764 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.967 -8.138 -2.022 1.00 0.00 H new ATOM 110 N LEU A 11 7.450 -6.336 -3.205 1.00 0.00 N ATOM 111 CA LEU A 11 6.644 -5.150 -2.971 1.00 0.00 C ATOM 112 C LEU A 11 5.728 -5.390 -1.769 1.00 0.00 C ATOM 113 O LEU A 11 5.211 -6.491 -1.589 1.00 0.00 O ATOM 114 CB LEU A 11 5.896 -4.750 -4.244 1.00 0.00 C ATOM 115 CG LEU A 11 6.003 -3.279 -4.651 1.00 0.00 C ATOM 116 CD1 LEU A 11 7.271 -3.028 -5.470 1.00 0.00 C ATOM 117 CD2 LEU A 11 4.744 -2.821 -5.390 1.00 0.00 C ATOM 0 H LEU A 11 7.171 -6.888 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 11 7.280 -4.300 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.266 -5.362 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.842 -4.995 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 11 6.080 -2.679 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.323 -1.975 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.146 -3.291 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.248 -3.639 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.847 -1.772 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.610 -3.423 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.877 -2.941 -4.741 1.00 0.00 H new ATOM 129 N ARG A 12 5.555 -4.341 -0.978 1.00 0.00 N ATOM 130 CA ARG A 12 4.710 -4.424 0.201 1.00 0.00 C ATOM 131 C ARG A 12 3.804 -3.195 0.292 1.00 0.00 C ATOM 132 O ARG A 12 4.272 -2.064 0.172 1.00 0.00 O ATOM 133 CB ARG A 12 5.552 -4.525 1.475 1.00 0.00 C ATOM 134 CG ARG A 12 6.427 -5.780 1.456 1.00 0.00 C ATOM 135 CD ARG A 12 6.547 -6.385 2.856 1.00 0.00 C ATOM 136 NE ARG A 12 7.973 -6.526 3.226 1.00 0.00 N ATOM 137 CZ ARG A 12 8.403 -7.115 4.350 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.520 -7.623 5.221 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.716 -7.197 4.604 1.00 0.00 N ATOM 0 H ARG A 12 5.986 -3.429 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 12 4.100 -5.323 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.181 -3.640 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.898 -4.547 2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.000 -6.515 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.418 -5.531 1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.036 -5.751 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.058 -7.359 2.884 1.00 0.00 H new ATOM 0 HE ARG A 12 8.672 -6.151 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.520 -7.561 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.848 -8.071 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.389 -6.811 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.043 -7.645 5.460 1.00 0.00 H new ATOM 153 N VAL A 13 2.523 -3.458 0.505 1.00 0.00 N ATOM 154 CA VAL A 13 1.547 -2.388 0.614 1.00 0.00 C ATOM 155 C VAL A 13 1.012 -2.335 2.047 1.00 0.00 C ATOM 156 O VAL A 13 0.216 -3.183 2.447 1.00 0.00 O ATOM 157 CB VAL A 13 0.444 -2.577 -0.429 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.755 -1.675 -0.129 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.977 -2.329 -1.842 1.00 0.00 C ATOM 0 H VAL A 13 2.139 -4.397 0.605 1.00 0.00 H new ATOM 0 HA VAL A 13 2.012 -1.425 0.405 1.00 0.00 H new ATOM 0 HB VAL A 13 0.106 -3.612 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.525 -1.829 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.158 -1.920 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.438 -0.632 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.173 -2.470 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.355 -1.309 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.783 -3.031 -2.055 1.00 0.00 H new ATOM 169 N TYR A 14 1.470 -1.331 2.779 1.00 0.00 N ATOM 170 CA TYR A 14 1.048 -1.156 4.158 1.00 0.00 C ATOM 171 C TYR A 14 -0.369 -0.583 4.229 1.00 0.00 C ATOM 172 O TYR A 14 -0.588 0.582 3.901 1.00 0.00 O ATOM 173 CB TYR A 14 2.023 -0.152 4.774 1.00 0.00 C ATOM 174 CG TYR A 14 3.386 -0.747 5.133 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.257 -1.130 4.133 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.744 -0.903 6.457 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.539 -1.690 4.471 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.027 -1.463 6.795 1.00 0.00 C ATOM 179 CZ TYR A 14 5.861 -1.830 5.785 1.00 0.00 C ATOM 180 OH TYR A 14 7.073 -2.359 6.104 1.00 0.00 O ATOM 0 H TYR A 14 2.130 -0.630 2.443 1.00 0.00 H new ATOM 0 HA TYR A 14 1.046 -2.111 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.170 0.671 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.574 0.270 5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.976 -1.009 3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.062 -0.605 7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.230 -1.992 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.320 -1.589 7.827 1.00 0.00 H new ATOM 0 HH TYR A 14 7.167 -2.398 7.079 1.00 0.00 H new ATOM 190 N SER A 15 -1.294 -1.428 4.661 1.00 0.00 N ATOM 191 CA SER A 15 -2.684 -1.020 4.779 1.00 0.00 C ATOM 192 C SER A 15 -3.218 -1.379 6.167 1.00 0.00 C ATOM 193 O SER A 15 -2.633 -2.204 6.867 1.00 0.00 O ATOM 194 CB SER A 15 -3.544 -1.671 3.694 1.00 0.00 C ATOM 195 OG SER A 15 -2.796 -1.944 2.513 1.00 0.00 O ATOM 0 H SER A 15 -1.108 -2.393 4.934 1.00 0.00 H new ATOM 0 HA SER A 15 -2.736 0.060 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.969 -2.599 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.379 -1.014 3.451 1.00 0.00 H new ATOM 0 HG SER A 15 -3.406 -2.210 1.794 1.00 0.00 H new ATOM 201 N THR A 16 -4.324 -0.742 6.523 1.00 0.00 N ATOM 202 CA THR A 16 -4.944 -0.984 7.815 1.00 0.00 C ATOM 203 C THR A 16 -6.380 -1.478 7.633 1.00 0.00 C ATOM 204 O THR A 16 -7.003 -1.222 6.603 1.00 0.00 O ATOM 205 CB THR A 16 -4.844 0.303 8.636 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.313 -0.073 9.928 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.837 1.371 8.175 1.00 0.00 C ATOM 0 H THR A 16 -4.807 -0.059 5.939 1.00 0.00 H new ATOM 0 HA THR A 16 -4.428 -1.775 8.359 1.00 0.00 H new ATOM 0 HB THR A 16 -3.830 0.698 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.281 0.703 10.526 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.724 2.263 8.791 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.643 1.623 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.853 0.989 8.273 1.00 0.00 H new ATOM 215 N SER A 17 -6.865 -2.178 8.648 1.00 0.00 N ATOM 216 CA SER A 17 -8.216 -2.710 8.613 1.00 0.00 C ATOM 217 C SER A 17 -9.094 -1.978 9.631 1.00 0.00 C ATOM 218 O SER A 17 -10.297 -1.828 9.424 1.00 0.00 O ATOM 219 CB SER A 17 -8.223 -4.215 8.892 1.00 0.00 C ATOM 220 OG SER A 17 -9.539 -4.708 9.131 1.00 0.00 O ATOM 0 H SER A 17 -6.346 -2.389 9.500 1.00 0.00 H new ATOM 0 HA SER A 17 -8.620 -2.551 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.787 -4.743 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.594 -4.426 9.757 1.00 0.00 H new ATOM 0 HG SER A 17 -9.501 -5.672 9.303 1.00 0.00 H new ATOM 226 N VAL A 18 -8.457 -1.543 10.708 1.00 0.00 N ATOM 227 CA VAL A 18 -9.165 -0.830 11.758 1.00 0.00 C ATOM 228 C VAL A 18 -8.839 0.662 11.665 1.00 0.00 C ATOM 229 O VAL A 18 -7.836 1.117 12.212 1.00 0.00 O ATOM 230 CB VAL A 18 -8.822 -1.433 13.122 1.00 0.00 C ATOM 231 CG1 VAL A 18 -9.361 -0.560 14.258 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.346 -2.866 13.235 1.00 0.00 C ATOM 0 H VAL A 18 -7.459 -1.670 10.876 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.243 -0.935 11.632 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.736 -1.466 13.211 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.104 -1.011 15.217 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.919 0.434 14.194 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.445 -0.481 14.173 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.089 -3.271 14.214 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.429 -2.868 13.115 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.894 -3.481 12.457 1.00 0.00 H new ATOM 242 N THR A 19 -9.706 1.382 10.968 1.00 0.00 N ATOM 243 CA THR A 19 -9.523 2.813 10.796 1.00 0.00 C ATOM 244 C THR A 19 -10.862 3.491 10.500 1.00 0.00 C ATOM 245 O THR A 19 -11.586 3.075 9.596 1.00 0.00 O ATOM 246 CB THR A 19 -8.478 3.028 9.699 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.297 4.441 9.664 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.013 2.686 8.306 1.00 0.00 C ATOM 0 H THR A 19 -10.537 1.001 10.516 1.00 0.00 H new ATOM 0 HA THR A 19 -9.155 3.277 11.711 1.00 0.00 H new ATOM 0 HB THR A 19 -7.599 2.419 9.910 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.346 4.646 9.543 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.232 2.856 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.317 1.640 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.871 3.319 8.080 1.00 0.00 H new ATOM 256 N GLY A 20 -11.152 4.522 11.280 1.00 0.00 N ATOM 257 CA GLY A 20 -12.392 5.261 11.113 1.00 0.00 C ATOM 258 C GLY A 20 -12.198 6.452 10.172 1.00 0.00 C ATOM 259 O GLY A 20 -12.598 7.570 10.490 1.00 0.00 O ATOM 0 H GLY A 20 -10.550 4.863 12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.162 4.600 10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.743 5.613 12.083 1.00 0.00 H new ATOM 263 N SER A 21 -11.585 6.170 9.032 1.00 0.00 N ATOM 264 CA SER A 21 -11.333 7.203 8.042 1.00 0.00 C ATOM 265 C SER A 21 -11.420 6.612 6.634 1.00 0.00 C ATOM 266 O SER A 21 -10.562 5.827 6.232 1.00 0.00 O ATOM 267 CB SER A 21 -9.966 7.854 8.260 1.00 0.00 C ATOM 268 OG SER A 21 -10.016 8.885 9.243 1.00 0.00 O ATOM 0 H SER A 21 -11.255 5.241 8.772 1.00 0.00 H new ATOM 0 HA SER A 21 -12.095 7.975 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.248 7.094 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.607 8.269 7.318 1.00 0.00 H new ATOM 0 HG SER A 21 -10.775 8.729 9.843 1.00 0.00 H new ATOM 274 N ARG A 22 -12.465 7.011 5.922 1.00 0.00 N ATOM 275 CA ARG A 22 -12.675 6.530 4.567 1.00 0.00 C ATOM 276 C ARG A 22 -11.547 7.010 3.652 1.00 0.00 C ATOM 277 O ARG A 22 -11.103 6.276 2.771 1.00 0.00 O ATOM 278 CB ARG A 22 -14.015 7.016 4.012 1.00 0.00 C ATOM 279 CG ARG A 22 -15.157 6.098 4.452 1.00 0.00 C ATOM 280 CD ARG A 22 -16.056 6.793 5.476 1.00 0.00 C ATOM 281 NE ARG A 22 -17.469 6.412 5.250 1.00 0.00 N ATOM 282 CZ ARG A 22 -18.156 6.700 4.137 1.00 0.00 C ATOM 283 NH1 ARG A 22 -17.565 7.373 3.140 1.00 0.00 N ATOM 284 NH2 ARG A 22 -19.434 6.314 4.019 1.00 0.00 N ATOM 0 H ARG A 22 -13.175 7.662 6.258 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.682 5.440 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.208 8.032 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.971 7.051 2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.748 5.805 3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.748 5.184 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.753 6.516 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.945 7.874 5.395 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.949 5.898 5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.592 7.666 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.088 7.592 2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.884 5.801 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.957 6.534 3.171 1.00 0.00 H new ATOM 298 N GLU A 23 -11.116 8.240 3.893 1.00 0.00 N ATOM 299 CA GLU A 23 -10.048 8.827 3.102 1.00 0.00 C ATOM 300 C GLU A 23 -8.850 7.877 3.039 1.00 0.00 C ATOM 301 O GLU A 23 -8.238 7.714 1.985 1.00 0.00 O ATOM 302 CB GLU A 23 -9.638 10.191 3.661 1.00 0.00 C ATOM 303 CG GLU A 23 -10.442 11.316 3.007 1.00 0.00 C ATOM 304 CD GLU A 23 -9.722 11.856 1.769 1.00 0.00 C ATOM 305 OE1 GLU A 23 -8.658 12.483 1.960 1.00 0.00 O ATOM 306 OE2 GLU A 23 -10.253 11.630 0.660 1.00 0.00 O ATOM 0 H GLU A 23 -11.487 8.846 4.625 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.417 8.983 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.794 10.208 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.574 10.353 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.429 10.947 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.595 12.123 3.724 1.00 0.00 H new ATOM 313 N ILE A 24 -8.552 7.275 4.181 1.00 0.00 N ATOM 314 CA ILE A 24 -7.438 6.346 4.269 1.00 0.00 C ATOM 315 C ILE A 24 -7.767 5.085 3.467 1.00 0.00 C ATOM 316 O ILE A 24 -7.034 4.721 2.549 1.00 0.00 O ATOM 317 CB ILE A 24 -7.085 6.070 5.732 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.846 7.375 6.494 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.893 5.117 5.837 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.312 7.098 7.901 1.00 0.00 C ATOM 0 H ILE A 24 -9.063 7.412 5.053 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.542 6.782 3.826 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.935 5.575 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.136 7.995 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.777 7.938 6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.662 4.937 6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.139 4.172 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.027 5.562 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.151 8.042 8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.036 6.498 8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.369 6.556 7.832 1.00 0.00 H new ATOM 332 N LYS A 25 -8.870 4.454 3.843 1.00 0.00 N ATOM 333 CA LYS A 25 -9.305 3.242 3.170 1.00 0.00 C ATOM 334 C LYS A 25 -9.279 3.466 1.657 1.00 0.00 C ATOM 335 O LYS A 25 -8.669 2.692 0.922 1.00 0.00 O ATOM 336 CB LYS A 25 -10.668 2.794 3.702 1.00 0.00 C ATOM 337 CG LYS A 25 -10.539 2.194 5.103 1.00 0.00 C ATOM 338 CD LYS A 25 -11.896 1.711 5.620 1.00 0.00 C ATOM 339 CE LYS A 25 -12.520 2.740 6.566 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.383 2.070 7.563 1.00 0.00 N ATOM 0 H LYS A 25 -9.475 4.759 4.605 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.620 2.421 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.350 3.644 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.102 2.058 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.836 1.361 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.130 2.939 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.566 1.531 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.774 0.761 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.734 3.299 7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.106 3.460 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.345 2.461 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.413 1.049 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.999 2.228 8.516 1.00 0.00 H new ATOM 354 N SER A 26 -9.948 4.530 1.237 1.00 0.00 N ATOM 355 CA SER A 26 -10.009 4.866 -0.175 1.00 0.00 C ATOM 356 C SER A 26 -8.614 4.772 -0.797 1.00 0.00 C ATOM 357 O SER A 26 -8.406 4.031 -1.756 1.00 0.00 O ATOM 358 CB SER A 26 -10.589 6.266 -0.384 1.00 0.00 C ATOM 359 OG SER A 26 -11.834 6.230 -1.077 1.00 0.00 O ATOM 0 H SER A 26 -10.452 5.170 1.850 1.00 0.00 H new ATOM 0 HA SER A 26 -10.668 4.151 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.726 6.750 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.879 6.873 -0.946 1.00 0.00 H new ATOM 0 HG SER A 26 -12.172 7.143 -1.189 1.00 0.00 H new ATOM 365 N GLN A 27 -7.693 5.534 -0.224 1.00 0.00 N ATOM 366 CA GLN A 27 -6.324 5.546 -0.709 1.00 0.00 C ATOM 367 C GLN A 27 -5.795 4.116 -0.842 1.00 0.00 C ATOM 368 O GLN A 27 -5.136 3.783 -1.825 1.00 0.00 O ATOM 369 CB GLN A 27 -5.425 6.380 0.205 1.00 0.00 C ATOM 370 CG GLN A 27 -5.666 7.876 -0.006 1.00 0.00 C ATOM 371 CD GLN A 27 -5.432 8.658 1.289 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.595 8.316 2.108 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.217 9.723 1.427 1.00 0.00 N ATOM 0 H GLN A 27 -7.869 6.147 0.572 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.313 6.010 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.618 6.120 1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.379 6.145 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.001 8.249 -0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.686 8.038 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.897 9.953 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.139 10.310 2.257 1.00 0.00 H new ATOM 382 N GLN A 28 -6.104 3.310 0.163 1.00 0.00 N ATOM 383 CA GLN A 28 -5.668 1.924 0.172 1.00 0.00 C ATOM 384 C GLN A 28 -6.281 1.167 -1.009 1.00 0.00 C ATOM 385 O GLN A 28 -5.563 0.551 -1.795 1.00 0.00 O ATOM 386 CB GLN A 28 -6.019 1.247 1.498 1.00 0.00 C ATOM 387 CG GLN A 28 -5.421 2.013 2.680 1.00 0.00 C ATOM 388 CD GLN A 28 -6.313 1.894 3.918 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.563 2.853 4.629 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.776 0.666 4.134 1.00 0.00 N ATOM 0 H GLN A 28 -6.651 3.590 0.977 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.583 1.904 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.102 1.192 1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.646 0.223 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.428 1.625 2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.300 3.063 2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.527 -0.092 3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.380 0.482 4.935 1.00 0.00 H new ATOM 399 N SER A 29 -7.601 1.240 -1.096 1.00 0.00 N ATOM 400 CA SER A 29 -8.318 0.570 -2.167 1.00 0.00 C ATOM 401 C SER A 29 -7.751 0.995 -3.522 1.00 0.00 C ATOM 402 O SER A 29 -7.556 0.163 -4.407 1.00 0.00 O ATOM 403 CB SER A 29 -9.816 0.872 -2.100 1.00 0.00 C ATOM 404 OG SER A 29 -10.578 -0.278 -1.741 1.00 0.00 O ATOM 0 H SER A 29 -8.193 1.753 -0.442 1.00 0.00 H new ATOM 0 HA SER A 29 -8.186 -0.505 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.994 1.665 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.154 1.243 -3.067 1.00 0.00 H new ATOM 0 HG SER A 29 -11.529 -0.043 -1.707 1.00 0.00 H new ATOM 410 N GLU A 30 -7.502 2.291 -3.644 1.00 0.00 N ATOM 411 CA GLU A 30 -6.961 2.837 -4.877 1.00 0.00 C ATOM 412 C GLU A 30 -5.610 2.193 -5.195 1.00 0.00 C ATOM 413 O GLU A 30 -5.473 1.492 -6.196 1.00 0.00 O ATOM 414 CB GLU A 30 -6.838 4.360 -4.794 1.00 0.00 C ATOM 415 CG GLU A 30 -7.990 5.045 -5.531 1.00 0.00 C ATOM 416 CD GLU A 30 -8.761 5.978 -4.596 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.101 6.574 -3.718 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.994 6.075 -4.781 1.00 0.00 O ATOM 0 H GLU A 30 -7.665 2.979 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.651 2.605 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.834 4.671 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.888 4.675 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.600 5.612 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.665 4.292 -5.937 1.00 0.00 H new ATOM 425 N VAL A 31 -4.647 2.455 -4.324 1.00 0.00 N ATOM 426 CA VAL A 31 -3.311 1.910 -4.499 1.00 0.00 C ATOM 427 C VAL A 31 -3.416 0.465 -4.993 1.00 0.00 C ATOM 428 O VAL A 31 -2.894 0.130 -6.056 1.00 0.00 O ATOM 429 CB VAL A 31 -2.518 2.041 -3.198 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.187 1.291 -3.289 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.295 3.511 -2.837 1.00 0.00 C ATOM 0 H VAL A 31 -4.765 3.037 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.764 2.473 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.106 1.586 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.643 1.400 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.377 0.234 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.592 1.703 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.729 3.576 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.739 4.001 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.258 4.005 -2.710 1.00 0.00 H new ATOM 441 N THR A 32 -4.092 -0.351 -4.199 1.00 0.00 N ATOM 442 CA THR A 32 -4.272 -1.751 -4.542 1.00 0.00 C ATOM 443 C THR A 32 -4.881 -1.884 -5.939 1.00 0.00 C ATOM 444 O THR A 32 -4.432 -2.703 -6.740 1.00 0.00 O ATOM 445 CB THR A 32 -5.118 -2.402 -3.446 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.242 -1.537 -3.316 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.443 -2.345 -2.074 1.00 0.00 C ATOM 0 H THR A 32 -4.522 -0.069 -3.318 1.00 0.00 H new ATOM 0 HA THR A 32 -3.316 -2.273 -4.587 1.00 0.00 H new ATOM 0 HB THR A 32 -5.317 -3.441 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.130 -0.972 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.085 -2.820 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.488 -2.869 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.274 -1.305 -1.794 1.00 0.00 H new ATOM 455 N ARG A 33 -5.893 -1.067 -6.188 1.00 0.00 N ATOM 456 CA ARG A 33 -6.568 -1.083 -7.475 1.00 0.00 C ATOM 457 C ARG A 33 -5.553 -0.926 -8.609 1.00 0.00 C ATOM 458 O ARG A 33 -5.456 -1.785 -9.484 1.00 0.00 O ATOM 459 CB ARG A 33 -7.604 0.039 -7.567 1.00 0.00 C ATOM 460 CG ARG A 33 -8.743 -0.343 -8.515 1.00 0.00 C ATOM 461 CD ARG A 33 -10.056 0.316 -8.088 1.00 0.00 C ATOM 462 NE ARG A 33 -10.650 1.049 -9.228 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.928 1.448 -9.282 1.00 0.00 C ATOM 464 NH1 ARG A 33 -12.754 1.187 -8.260 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.379 2.107 -10.358 1.00 0.00 N ATOM 0 H ARG A 33 -6.262 -0.390 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.078 -2.042 -7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.006 0.250 -6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.125 0.953 -7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.493 -0.038 -9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.863 -1.426 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.753 -0.442 -7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.876 1.001 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.048 1.264 -10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.410 0.685 -7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.727 1.490 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.749 2.305 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.352 2.411 -10.399 1.00 0.00 H new ATOM 479 N ILE A 34 -4.823 0.179 -8.558 1.00 0.00 N ATOM 480 CA ILE A 34 -3.819 0.460 -9.570 1.00 0.00 C ATOM 481 C ILE A 34 -2.852 -0.721 -9.664 1.00 0.00 C ATOM 482 O ILE A 34 -2.579 -1.219 -10.755 1.00 0.00 O ATOM 483 CB ILE A 34 -3.131 1.797 -9.285 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.153 2.933 -9.204 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.038 2.081 -10.317 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.076 3.644 -7.852 1.00 0.00 C ATOM 0 H ILE A 34 -4.907 0.890 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.285 0.570 -10.549 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.645 1.731 -8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.971 3.648 -10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.157 2.535 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.565 3.037 -10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.290 1.289 -10.282 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.479 2.120 -11.313 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.813 4.447 -7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.282 2.931 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.078 4.062 -7.717 1.00 0.00 H new ATOM 498 N LEU A 35 -2.360 -1.136 -8.506 1.00 0.00 N ATOM 499 CA LEU A 35 -1.428 -2.250 -8.444 1.00 0.00 C ATOM 500 C LEU A 35 -2.061 -3.475 -9.107 1.00 0.00 C ATOM 501 O LEU A 35 -1.428 -4.139 -9.926 1.00 0.00 O ATOM 502 CB LEU A 35 -0.979 -2.494 -7.002 1.00 0.00 C ATOM 503 CG LEU A 35 -0.003 -1.469 -6.422 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.331 -1.793 -4.964 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.255 -1.359 -7.286 1.00 0.00 C ATOM 0 H LEU A 35 -2.589 -0.721 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.520 -2.019 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.864 -2.524 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.515 -3.479 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.488 -0.493 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.027 -1.049 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.583 -1.780 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.787 -2.781 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.932 -0.624 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.752 -2.328 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.979 -1.047 -8.293 1.00 0.00 H new ATOM 517 N ASP A 36 -3.302 -3.739 -8.726 1.00 0.00 N ATOM 518 CA ASP A 36 -4.028 -4.873 -9.273 1.00 0.00 C ATOM 519 C ASP A 36 -4.104 -4.738 -10.795 1.00 0.00 C ATOM 520 O ASP A 36 -3.856 -5.701 -11.520 1.00 0.00 O ATOM 521 CB ASP A 36 -5.457 -4.926 -8.731 1.00 0.00 C ATOM 522 CG ASP A 36 -5.943 -6.318 -8.322 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.482 -6.790 -7.261 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.764 -6.878 -9.080 1.00 0.00 O ATOM 0 H ASP A 36 -3.824 -3.187 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.500 -5.782 -8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.526 -4.265 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.132 -4.530 -9.490 1.00 0.00 H new ATOM 529 N GLY A 37 -4.448 -3.537 -11.235 1.00 0.00 N ATOM 530 CA GLY A 37 -4.560 -3.264 -12.657 1.00 0.00 C ATOM 531 C GLY A 37 -3.207 -3.424 -13.355 1.00 0.00 C ATOM 532 O GLY A 37 -3.112 -4.084 -14.389 1.00 0.00 O ATOM 0 H GLY A 37 -4.653 -2.741 -10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.287 -3.942 -13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.934 -2.251 -12.808 1.00 0.00 H new ATOM 536 N LYS A 38 -2.195 -2.810 -12.760 1.00 0.00 N ATOM 537 CA LYS A 38 -0.852 -2.877 -13.311 1.00 0.00 C ATOM 538 C LYS A 38 -0.322 -4.306 -13.181 1.00 0.00 C ATOM 539 O LYS A 38 0.708 -4.645 -13.761 1.00 0.00 O ATOM 540 CB LYS A 38 0.048 -1.826 -12.658 1.00 0.00 C ATOM 541 CG LYS A 38 -0.440 -0.411 -12.978 1.00 0.00 C ATOM 542 CD LYS A 38 0.657 0.405 -13.665 1.00 0.00 C ATOM 543 CE LYS A 38 0.098 1.716 -14.221 1.00 0.00 C ATOM 544 NZ LYS A 38 0.222 1.748 -15.696 1.00 0.00 N ATOM 0 H LYS A 38 -2.278 -2.264 -11.902 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.865 -2.637 -14.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.062 -1.974 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.072 -1.950 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.318 -0.462 -13.622 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.748 0.088 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.456 0.618 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.097 -0.179 -14.473 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.949 1.822 -13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.634 2.560 -13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.162 2.644 -16.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.224 1.668 -15.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.309 0.954 -16.106 1.00 0.00 H new ATOM 558 N ARG A 39 -1.051 -5.106 -12.417 1.00 0.00 N ATOM 559 CA ARG A 39 -0.667 -6.491 -12.203 1.00 0.00 C ATOM 560 C ARG A 39 0.743 -6.566 -11.615 1.00 0.00 C ATOM 561 O ARG A 39 1.587 -7.311 -12.111 1.00 0.00 O ATOM 562 CB ARG A 39 -0.710 -7.282 -13.512 1.00 0.00 C ATOM 563 CG ARG A 39 -2.143 -7.404 -14.033 1.00 0.00 C ATOM 564 CD ARG A 39 -2.287 -6.738 -15.402 1.00 0.00 C ATOM 565 NE ARG A 39 -1.809 -7.653 -16.463 1.00 0.00 N ATOM 566 CZ ARG A 39 -0.608 -7.559 -17.050 1.00 0.00 C ATOM 567 NH1 ARG A 39 0.243 -6.591 -16.683 1.00 0.00 N ATOM 568 NH2 ARG A 39 -0.258 -8.433 -18.004 1.00 0.00 N ATOM 0 H ARG A 39 -1.906 -4.822 -11.938 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.379 -6.929 -11.503 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.088 -6.789 -14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.291 -8.276 -13.354 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.419 -8.456 -14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.832 -6.942 -13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.330 -6.475 -15.580 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.716 -5.810 -15.426 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.432 -8.401 -16.766 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.023 -5.926 -15.957 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.157 -6.519 -17.130 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.906 -9.170 -18.283 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.656 -8.361 -18.451 1.00 0.00 H new ATOM 582 N ILE A 40 0.955 -5.785 -10.566 1.00 0.00 N ATOM 583 CA ILE A 40 2.249 -5.754 -9.905 1.00 0.00 C ATOM 584 C ILE A 40 2.255 -6.766 -8.758 1.00 0.00 C ATOM 585 O ILE A 40 1.209 -7.065 -8.183 1.00 0.00 O ATOM 586 CB ILE A 40 2.594 -4.329 -9.469 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.871 -3.437 -10.681 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.758 -4.325 -8.476 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.792 -1.957 -10.303 1.00 0.00 C ATOM 0 H ILE A 40 0.252 -5.169 -10.157 1.00 0.00 H new ATOM 0 HA ILE A 40 3.037 -6.051 -10.597 1.00 0.00 H new ATOM 0 HB ILE A 40 1.730 -3.911 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.859 -3.661 -11.083 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.149 -3.654 -11.469 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.982 -3.300 -8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.485 -4.904 -7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.637 -4.769 -8.944 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.993 -1.346 -11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.795 -1.731 -9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.531 -1.738 -9.533 1.00 0.00 H new ATOM 601 N GLN A 41 3.445 -7.266 -8.458 1.00 0.00 N ATOM 602 CA GLN A 41 3.601 -8.238 -7.389 1.00 0.00 C ATOM 603 C GLN A 41 3.933 -7.532 -6.073 1.00 0.00 C ATOM 604 O GLN A 41 4.997 -6.929 -5.940 1.00 0.00 O ATOM 605 CB GLN A 41 4.671 -9.273 -7.742 1.00 0.00 C ATOM 606 CG GLN A 41 4.092 -10.690 -7.716 1.00 0.00 C ATOM 607 CD GLN A 41 5.126 -11.712 -8.193 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.308 -11.945 -9.376 1.00 0.00 O ATOM 609 NE2 GLN A 41 5.792 -12.308 -7.207 1.00 0.00 N ATOM 0 H GLN A 41 4.310 -7.016 -8.937 1.00 0.00 H new ATOM 0 HA GLN A 41 2.657 -8.768 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.076 -9.060 -8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.499 -9.201 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.771 -10.937 -6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.208 -10.737 -8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.591 -12.067 -6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.504 -13.006 -7.422 1.00 0.00 H new ATOM 618 N TYR A 42 3.004 -7.630 -5.134 1.00 0.00 N ATOM 619 CA TYR A 42 3.185 -7.008 -3.834 1.00 0.00 C ATOM 620 C TYR A 42 2.479 -7.811 -2.739 1.00 0.00 C ATOM 621 O TYR A 42 1.771 -8.773 -3.029 1.00 0.00 O ATOM 622 CB TYR A 42 2.537 -5.625 -3.934 1.00 0.00 C ATOM 623 CG TYR A 42 1.008 -5.651 -3.908 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.341 -5.850 -2.716 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.295 -5.476 -5.076 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.099 -5.874 -2.691 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.145 -5.501 -5.052 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.770 -5.698 -3.861 1.00 0.00 C ATOM 629 OH TYR A 42 -3.130 -5.722 -3.838 1.00 0.00 O ATOM 0 H TYR A 42 2.123 -8.131 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 42 4.243 -6.956 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.894 -5.008 -3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.866 -5.147 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.899 -5.988 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.817 -5.320 -6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.633 -6.028 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.715 -5.366 -5.959 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.475 -5.582 -4.744 1.00 0.00 H new ATOM 639 N GLN A 43 2.698 -7.385 -1.504 1.00 0.00 N ATOM 640 CA GLN A 43 2.092 -8.052 -0.364 1.00 0.00 C ATOM 641 C GLN A 43 1.445 -7.026 0.569 1.00 0.00 C ATOM 642 O GLN A 43 2.116 -6.122 1.063 1.00 0.00 O ATOM 643 CB GLN A 43 3.120 -8.902 0.384 1.00 0.00 C ATOM 644 CG GLN A 43 2.443 -10.057 1.126 1.00 0.00 C ATOM 645 CD GLN A 43 3.457 -11.140 1.497 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.787 -12.014 0.712 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.931 -11.035 2.735 1.00 0.00 N ATOM 0 H GLN A 43 3.287 -6.586 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 43 1.314 -8.722 -0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.852 -9.297 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.665 -8.279 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.961 -9.681 2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.660 -10.486 0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.612 -10.279 3.341 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.613 -11.711 3.079 1.00 0.00 H new ATOM 656 N LEU A 44 0.149 -7.202 0.782 1.00 0.00 N ATOM 657 CA LEU A 44 -0.596 -6.303 1.647 1.00 0.00 C ATOM 658 C LEU A 44 -0.213 -6.571 3.104 1.00 0.00 C ATOM 659 O LEU A 44 -0.577 -7.603 3.666 1.00 0.00 O ATOM 660 CB LEU A 44 -2.097 -6.418 1.374 1.00 0.00 C ATOM 661 CG LEU A 44 -2.877 -5.102 1.350 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.580 -4.906 0.006 1.00 0.00 C ATOM 663 CD2 LEU A 44 -3.854 -5.023 2.525 1.00 0.00 C ATOM 0 H LEU A 44 -0.404 -7.954 0.370 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.336 -5.266 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.234 -6.916 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.536 -7.064 2.134 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.168 -4.282 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.127 -3.963 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.839 -4.887 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.276 -5.728 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.396 -4.078 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.562 -5.850 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.301 -5.085 3.462 1.00 0.00 H new ATOM 675 N VAL A 45 0.516 -5.623 3.675 1.00 0.00 N ATOM 676 CA VAL A 45 0.951 -5.744 5.056 1.00 0.00 C ATOM 677 C VAL A 45 -0.045 -5.022 5.966 1.00 0.00 C ATOM 678 O VAL A 45 -0.136 -3.796 5.943 1.00 0.00 O ATOM 679 CB VAL A 45 2.381 -5.220 5.201 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.771 -5.090 6.675 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.371 -6.112 4.449 1.00 0.00 C ATOM 0 H VAL A 45 0.816 -4.768 3.206 1.00 0.00 H new ATOM 0 HA VAL A 45 0.969 -6.791 5.360 1.00 0.00 H new ATOM 0 HB VAL A 45 2.420 -4.226 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.792 -4.716 6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.093 -4.396 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.706 -6.066 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.380 -5.717 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.327 -7.124 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.112 -6.131 3.390 1.00 0.00 H new ATOM 691 N ASP A 46 -0.767 -5.814 6.745 1.00 0.00 N ATOM 692 CA ASP A 46 -1.753 -5.266 7.660 1.00 0.00 C ATOM 693 C ASP A 46 -1.046 -4.749 8.915 1.00 0.00 C ATOM 694 O ASP A 46 -0.599 -5.535 9.748 1.00 0.00 O ATOM 695 CB ASP A 46 -2.759 -6.335 8.091 1.00 0.00 C ATOM 696 CG ASP A 46 -3.898 -5.831 8.980 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.700 -4.769 9.608 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.941 -6.519 9.011 1.00 0.00 O ATOM 0 H ASP A 46 -0.689 -6.831 6.761 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.279 -4.462 7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.189 -6.789 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.224 -7.122 8.623 1.00 0.00 H new ATOM 703 N ILE A 47 -0.968 -3.429 9.010 1.00 0.00 N ATOM 704 CA ILE A 47 -0.323 -2.798 10.149 1.00 0.00 C ATOM 705 C ILE A 47 -1.205 -2.967 11.387 1.00 0.00 C ATOM 706 O ILE A 47 -0.702 -3.186 12.487 1.00 0.00 O ATOM 707 CB ILE A 47 0.019 -1.341 9.831 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.250 -0.502 9.670 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.928 -1.247 8.604 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.908 0.972 9.449 1.00 0.00 C ATOM 0 H ILE A 47 -1.341 -2.780 8.317 1.00 0.00 H new ATOM 0 HA ILE A 47 0.628 -3.284 10.366 1.00 0.00 H new ATOM 0 HB ILE A 47 0.572 -0.928 10.674 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.832 -0.874 8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.874 -0.605 10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.156 -0.201 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.854 -1.790 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.423 -1.683 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.828 1.546 9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.347 1.348 10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.305 1.074 8.547 1.00 0.00 H new ATOM 722 N SER A 48 -2.507 -2.857 11.166 1.00 0.00 N ATOM 723 CA SER A 48 -3.465 -2.994 12.250 1.00 0.00 C ATOM 724 C SER A 48 -3.232 -4.313 12.990 1.00 0.00 C ATOM 725 O SER A 48 -3.083 -4.326 14.211 1.00 0.00 O ATOM 726 CB SER A 48 -4.901 -2.924 11.729 1.00 0.00 C ATOM 727 OG SER A 48 -5.788 -2.344 12.682 1.00 0.00 O ATOM 0 H SER A 48 -2.921 -2.674 10.252 1.00 0.00 H new ATOM 0 HA SER A 48 -3.319 -2.165 12.943 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.925 -2.339 10.809 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.245 -3.927 11.478 1.00 0.00 H new ATOM 0 HG SER A 48 -6.281 -3.054 13.144 1.00 0.00 H new ATOM 733 N GLN A 49 -3.209 -5.390 12.219 1.00 0.00 N ATOM 734 CA GLN A 49 -2.997 -6.711 12.786 1.00 0.00 C ATOM 735 C GLN A 49 -1.947 -6.650 13.897 1.00 0.00 C ATOM 736 O GLN A 49 -2.254 -6.901 15.061 1.00 0.00 O ATOM 737 CB GLN A 49 -2.593 -7.714 11.704 1.00 0.00 C ATOM 738 CG GLN A 49 -3.819 -8.431 11.135 1.00 0.00 C ATOM 739 CD GLN A 49 -4.382 -9.436 12.142 1.00 0.00 C ATOM 740 OE1 GLN A 49 -4.208 -9.314 13.344 1.00 0.00 O ATOM 741 NE2 GLN A 49 -5.066 -10.433 11.587 1.00 0.00 N ATOM 0 H GLN A 49 -3.334 -5.375 11.207 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.937 -7.053 13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.065 -7.197 10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.901 -8.445 12.121 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.586 -7.700 10.878 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.548 -8.947 10.214 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.174 -10.475 10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.483 -11.155 12.175 1.00 0.00 H new ATOM 750 N ASP A 50 -0.728 -6.315 13.498 1.00 0.00 N ATOM 751 CA ASP A 50 0.369 -6.218 14.445 1.00 0.00 C ATOM 752 C ASP A 50 0.665 -4.743 14.727 1.00 0.00 C ATOM 753 O ASP A 50 1.120 -4.018 13.844 1.00 0.00 O ATOM 754 CB ASP A 50 1.641 -6.856 13.882 1.00 0.00 C ATOM 755 CG ASP A 50 2.377 -7.790 14.844 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.764 -8.812 15.223 1.00 0.00 O ATOM 757 OD2 ASP A 50 3.535 -7.461 15.180 1.00 0.00 O ATOM 0 H ASP A 50 -0.477 -6.107 12.531 1.00 0.00 H new ATOM 0 HA ASP A 50 0.076 -6.741 15.355 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.381 -7.416 12.983 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.323 -6.062 13.577 1.00 0.00 H new ATOM 762 N ASN A 51 0.394 -4.344 15.960 1.00 0.00 N ATOM 763 CA ASN A 51 0.625 -2.969 16.370 1.00 0.00 C ATOM 764 C ASN A 51 2.050 -2.562 15.991 1.00 0.00 C ATOM 765 O ASN A 51 2.283 -1.435 15.556 1.00 0.00 O ATOM 766 CB ASN A 51 0.475 -2.813 17.884 1.00 0.00 C ATOM 767 CG ASN A 51 1.223 -3.922 18.627 1.00 0.00 C ATOM 768 OD1 ASN A 51 0.985 -5.103 18.434 1.00 0.00 O ATOM 769 ND2 ASN A 51 2.138 -3.477 19.484 1.00 0.00 N ATOM 0 H ASN A 51 0.016 -4.949 16.689 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.110 -2.339 15.869 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.859 -1.841 18.193 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.581 -2.839 18.153 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.691 -4.139 20.028 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.286 -2.474 19.597 1.00 0.00 H new ATOM 776 N ALA A 52 2.967 -3.501 16.170 1.00 0.00 N ATOM 777 CA ALA A 52 4.364 -3.254 15.852 1.00 0.00 C ATOM 778 C ALA A 52 4.462 -2.631 14.458 1.00 0.00 C ATOM 779 O ALA A 52 5.032 -1.553 14.295 1.00 0.00 O ATOM 780 CB ALA A 52 5.152 -4.560 15.964 1.00 0.00 C ATOM 0 H ALA A 52 2.770 -4.434 16.531 1.00 0.00 H new ATOM 0 HA ALA A 52 4.800 -2.549 16.560 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.199 -4.375 15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.074 -4.946 16.980 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.745 -5.292 15.266 1.00 0.00 H new ATOM 786 N LEU A 53 3.899 -3.335 13.488 1.00 0.00 N ATOM 787 CA LEU A 53 3.916 -2.865 12.114 1.00 0.00 C ATOM 788 C LEU A 53 3.667 -1.355 12.093 1.00 0.00 C ATOM 789 O LEU A 53 4.483 -0.595 11.573 1.00 0.00 O ATOM 790 CB LEU A 53 2.927 -3.663 11.262 1.00 0.00 C ATOM 791 CG LEU A 53 3.314 -5.114 10.968 1.00 0.00 C ATOM 792 CD1 LEU A 53 2.078 -6.015 10.936 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.129 -5.213 9.676 1.00 0.00 C ATOM 0 H LEU A 53 3.427 -4.229 13.627 1.00 0.00 H new ATOM 0 HA LEU A 53 4.895 -3.034 11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.960 -3.660 11.765 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.794 -3.144 10.313 1.00 0.00 H new ATOM 0 HG LEU A 53 3.951 -5.469 11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.381 -7.041 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.575 -5.977 11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.397 -5.671 10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.391 -6.255 9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.538 -4.833 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.039 -4.622 9.774 1.00 0.00 H new ATOM 805 N ARG A 54 2.537 -0.966 12.665 1.00 0.00 N ATOM 806 CA ARG A 54 2.171 0.439 12.718 1.00 0.00 C ATOM 807 C ARG A 54 3.408 1.300 12.981 1.00 0.00 C ATOM 808 O ARG A 54 3.601 2.329 12.334 1.00 0.00 O ATOM 809 CB ARG A 54 1.136 0.697 13.815 1.00 0.00 C ATOM 810 CG ARG A 54 0.258 1.901 13.468 1.00 0.00 C ATOM 811 CD ARG A 54 -1.210 1.622 13.798 1.00 0.00 C ATOM 812 NE ARG A 54 -2.069 2.675 13.212 1.00 0.00 N ATOM 813 CZ ARG A 54 -3.405 2.600 13.140 1.00 0.00 C ATOM 814 NH1 ARG A 54 -4.043 1.523 13.616 1.00 0.00 N ATOM 815 NH2 ARG A 54 -4.104 3.604 12.591 1.00 0.00 N ATOM 0 H ARG A 54 1.863 -1.599 13.096 1.00 0.00 H new ATOM 0 HA ARG A 54 1.737 0.705 11.754 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.512 -0.187 13.946 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.643 0.873 14.764 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.599 2.776 14.021 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.358 2.135 12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.500 0.646 13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.348 1.588 14.879 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.616 3.510 12.840 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.512 0.759 14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.060 1.467 13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.619 4.425 12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.121 3.547 12.536 1.00 0.00 H new ATOM 829 N ASP A 55 4.213 0.849 13.932 1.00 0.00 N ATOM 830 CA ASP A 55 5.426 1.566 14.288 1.00 0.00 C ATOM 831 C ASP A 55 6.490 1.323 13.216 1.00 0.00 C ATOM 832 O ASP A 55 6.967 2.266 12.586 1.00 0.00 O ATOM 833 CB ASP A 55 5.982 1.075 15.626 1.00 0.00 C ATOM 834 CG ASP A 55 6.845 2.090 16.379 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.249 3.037 16.937 1.00 0.00 O ATOM 836 OD2 ASP A 55 8.079 1.896 16.379 1.00 0.00 O ATOM 0 H ASP A 55 4.049 -0.004 14.467 1.00 0.00 H new ATOM 0 HA ASP A 55 5.182 2.625 14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.148 0.785 16.265 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.574 0.177 15.449 1.00 0.00 H new ATOM 841 N GLU A 56 6.830 0.055 13.041 1.00 0.00 N ATOM 842 CA GLU A 56 7.829 -0.323 12.056 1.00 0.00 C ATOM 843 C GLU A 56 7.677 0.527 10.793 1.00 0.00 C ATOM 844 O GLU A 56 8.617 1.204 10.379 1.00 0.00 O ATOM 845 CB GLU A 56 7.738 -1.815 11.727 1.00 0.00 C ATOM 846 CG GLU A 56 8.479 -2.652 12.771 1.00 0.00 C ATOM 847 CD GLU A 56 9.314 -3.747 12.103 1.00 0.00 C ATOM 848 OE1 GLU A 56 8.691 -4.677 11.549 1.00 0.00 O ATOM 849 OE2 GLU A 56 10.557 -3.628 12.162 1.00 0.00 O ATOM 0 H GLU A 56 6.431 -0.724 13.565 1.00 0.00 H new ATOM 0 HA GLU A 56 8.816 -0.137 12.479 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.692 -2.119 11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.162 -2.000 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.126 -2.008 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.762 -3.104 13.456 1.00 0.00 H new ATOM 856 N MET A 57 6.486 0.464 10.215 1.00 0.00 N ATOM 857 CA MET A 57 6.199 1.219 9.008 1.00 0.00 C ATOM 858 C MET A 57 6.583 2.690 9.177 1.00 0.00 C ATOM 859 O MET A 57 7.405 3.211 8.424 1.00 0.00 O ATOM 860 CB MET A 57 4.707 1.115 8.683 1.00 0.00 C ATOM 861 CG MET A 57 4.353 1.958 7.457 1.00 0.00 C ATOM 862 SD MET A 57 4.020 3.642 7.948 1.00 0.00 S ATOM 863 CE MET A 57 2.728 3.365 9.148 1.00 0.00 C ATOM 0 H MET A 57 5.709 -0.099 10.561 1.00 0.00 H new ATOM 0 HA MET A 57 6.788 0.801 8.192 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.443 0.073 8.501 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.121 1.448 9.539 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.174 1.935 6.741 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.481 1.538 6.956 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.017 4.191 9.114 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.212 2.432 8.919 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.165 3.303 10.145 1.00 0.00 H new ATOM 873 N ARG A 58 5.971 3.318 10.170 1.00 0.00 N ATOM 874 CA ARG A 58 6.239 4.719 10.447 1.00 0.00 C ATOM 875 C ARG A 58 7.744 4.990 10.408 1.00 0.00 C ATOM 876 O ARG A 58 8.196 5.906 9.723 1.00 0.00 O ATOM 877 CB ARG A 58 5.691 5.124 11.817 1.00 0.00 C ATOM 878 CG ARG A 58 4.324 5.797 11.684 1.00 0.00 C ATOM 879 CD ARG A 58 3.416 5.433 12.861 1.00 0.00 C ATOM 880 NE ARG A 58 4.160 5.564 14.133 1.00 0.00 N ATOM 881 CZ ARG A 58 3.579 5.668 15.336 1.00 0.00 C ATOM 882 NH1 ARG A 58 2.243 5.656 15.438 1.00 0.00 N ATOM 883 NH2 ARG A 58 4.334 5.783 16.437 1.00 0.00 N ATOM 0 H ARG A 58 5.290 2.883 10.793 1.00 0.00 H new ATOM 0 HA ARG A 58 5.740 5.310 9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.606 4.243 12.453 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.389 5.804 12.305 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.450 6.879 11.639 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.854 5.491 10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.542 6.085 12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.051 4.412 12.747 1.00 0.00 H new ATOM 0 HE ARG A 58 5.179 5.576 14.092 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.668 5.568 14.600 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.801 5.735 16.354 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.351 5.791 16.359 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.892 5.862 17.353 1.00 0.00 H new ATOM 897 N THR A 59 8.479 4.175 11.151 1.00 0.00 N ATOM 898 CA THR A 59 9.925 4.315 11.209 1.00 0.00 C ATOM 899 C THR A 59 10.526 4.225 9.805 1.00 0.00 C ATOM 900 O THR A 59 11.230 5.134 9.368 1.00 0.00 O ATOM 901 CB THR A 59 10.464 3.254 12.170 1.00 0.00 C ATOM 902 OG1 THR A 59 10.318 3.846 13.458 1.00 0.00 O ATOM 903 CG2 THR A 59 11.972 3.045 12.024 1.00 0.00 C ATOM 0 H THR A 59 8.101 3.416 11.718 1.00 0.00 H new ATOM 0 HA THR A 59 10.213 5.295 11.589 1.00 0.00 H new ATOM 0 HB THR A 59 9.948 2.310 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.642 3.224 14.143 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.303 2.282 12.728 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.198 2.723 11.007 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.491 3.981 12.232 1.00 0.00 H new ATOM 911 N LEU A 60 10.226 3.121 9.137 1.00 0.00 N ATOM 912 CA LEU A 60 10.728 2.901 7.791 1.00 0.00 C ATOM 913 C LEU A 60 10.480 4.153 6.948 1.00 0.00 C ATOM 914 O LEU A 60 11.418 4.741 6.412 1.00 0.00 O ATOM 915 CB LEU A 60 10.124 1.628 7.196 1.00 0.00 C ATOM 916 CG LEU A 60 10.524 0.315 7.872 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.449 -0.755 7.670 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.898 -0.154 7.391 1.00 0.00 C ATOM 0 H LEU A 60 9.642 2.369 9.503 1.00 0.00 H new ATOM 0 HA LEU A 60 11.805 2.737 7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.038 1.715 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.406 1.573 6.145 1.00 0.00 H new ATOM 0 HG LEU A 60 10.603 0.493 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.758 -1.678 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.509 -0.412 8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.314 -0.938 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.158 -1.089 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.872 -0.311 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.645 0.603 7.630 1.00 0.00 H new ATOM 930 N ALA A 61 9.211 4.523 6.855 1.00 0.00 N ATOM 931 CA ALA A 61 8.828 5.695 6.086 1.00 0.00 C ATOM 932 C ALA A 61 9.707 6.878 6.494 1.00 0.00 C ATOM 933 O ALA A 61 10.288 7.548 5.642 1.00 0.00 O ATOM 934 CB ALA A 61 7.338 5.976 6.292 1.00 0.00 C ATOM 0 H ALA A 61 8.435 4.032 7.299 1.00 0.00 H new ATOM 0 HA ALA A 61 8.983 5.523 5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.050 6.855 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.756 5.117 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.145 6.157 7.349 1.00 0.00 H new ATOM 940 N GLY A 62 9.777 7.100 7.799 1.00 0.00 N ATOM 941 CA GLY A 62 10.576 8.191 8.331 1.00 0.00 C ATOM 942 C GLY A 62 9.690 9.244 8.999 1.00 0.00 C ATOM 943 O GLY A 62 9.931 10.442 8.859 1.00 0.00 O ATOM 0 H GLY A 62 9.293 6.543 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.293 7.802 9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.151 8.651 7.527 1.00 0.00 H new ATOM 947 N ASN A 63 8.682 8.759 9.709 1.00 0.00 N ATOM 948 CA ASN A 63 7.759 9.644 10.399 1.00 0.00 C ATOM 949 C ASN A 63 6.767 8.807 11.210 1.00 0.00 C ATOM 950 O ASN A 63 6.150 7.884 10.681 1.00 0.00 O ATOM 951 CB ASN A 63 6.961 10.490 9.405 1.00 0.00 C ATOM 952 CG ASN A 63 6.596 11.847 10.010 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.439 12.694 10.254 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.295 12.006 10.237 1.00 0.00 N ATOM 0 H ASN A 63 8.484 7.765 9.821 1.00 0.00 H new ATOM 0 HA ASN A 63 8.341 10.300 11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.545 10.638 8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.053 9.960 9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.950 12.878 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.642 11.256 10.009 1.00 0.00 H new ATOM 961 N PRO A 64 6.642 9.169 12.515 1.00 0.00 N ATOM 962 CA PRO A 64 5.737 8.463 13.405 1.00 0.00 C ATOM 963 C PRO A 64 4.282 8.845 13.123 1.00 0.00 C ATOM 964 O PRO A 64 3.371 8.055 13.365 1.00 0.00 O ATOM 965 CB PRO A 64 6.189 8.838 14.806 1.00 0.00 C ATOM 966 CG PRO A 64 7.026 10.097 14.651 1.00 0.00 C ATOM 967 CD PRO A 64 7.357 10.258 13.176 1.00 0.00 C ATOM 0 HA PRO A 64 5.770 7.382 13.267 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.334 9.016 15.458 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.772 8.035 15.256 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.479 10.966 15.017 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.939 10.023 15.241 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.034 11.229 12.801 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.431 10.190 13.001 1.00 0.00 H new ATOM 975 N LYS A 65 4.110 10.057 12.616 1.00 0.00 N ATOM 976 CA LYS A 65 2.782 10.553 12.299 1.00 0.00 C ATOM 977 C LYS A 65 2.442 10.198 10.850 1.00 0.00 C ATOM 978 O LYS A 65 1.857 11.006 10.130 1.00 0.00 O ATOM 979 CB LYS A 65 2.682 12.049 12.605 1.00 0.00 C ATOM 980 CG LYS A 65 2.036 12.287 13.971 1.00 0.00 C ATOM 981 CD LYS A 65 0.620 12.846 13.819 1.00 0.00 C ATOM 982 CE LYS A 65 -0.425 11.822 14.267 1.00 0.00 C ATOM 983 NZ LYS A 65 -0.499 11.771 15.745 1.00 0.00 N ATOM 0 H LYS A 65 4.868 10.710 12.417 1.00 0.00 H new ATOM 0 HA LYS A 65 2.035 10.071 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.676 12.495 12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.096 12.544 11.830 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.003 11.352 14.530 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.645 12.982 14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.519 13.756 14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.443 13.120 12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.400 12.085 13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.170 10.837 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.213 11.071 16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.428 11.498 16.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.764 12.707 16.112 1.00 0.00 H new ATOM 997 N ALA A 66 2.822 8.989 10.466 1.00 0.00 N ATOM 998 CA ALA A 66 2.565 8.517 9.116 1.00 0.00 C ATOM 999 C ALA A 66 1.294 7.665 9.112 1.00 0.00 C ATOM 1000 O ALA A 66 0.794 7.284 10.169 1.00 0.00 O ATOM 1001 CB ALA A 66 3.784 7.747 8.603 1.00 0.00 C ATOM 0 H ALA A 66 3.306 8.321 11.066 1.00 0.00 H new ATOM 0 HA ALA A 66 2.402 9.357 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.591 7.393 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.654 8.404 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.977 6.895 9.255 1.00 0.00 H new ATOM 1007 N THR A 67 0.807 7.392 7.910 1.00 0.00 N ATOM 1008 CA THR A 67 -0.396 6.592 7.754 1.00 0.00 C ATOM 1009 C THR A 67 -0.426 5.937 6.372 1.00 0.00 C ATOM 1010 O THR A 67 0.272 6.375 5.459 1.00 0.00 O ATOM 1011 CB THR A 67 -1.602 7.495 8.025 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.400 8.611 7.163 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.576 8.100 9.430 1.00 0.00 C ATOM 0 H THR A 67 1.224 7.711 7.035 1.00 0.00 H new ATOM 0 HA THR A 67 -0.420 5.770 8.469 1.00 0.00 H new ATOM 0 HB THR A 67 -2.521 6.923 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.138 9.247 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.453 8.732 9.570 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.582 7.300 10.171 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.674 8.700 9.551 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.263 4.871 6.259 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.393 4.151 5.004 1.00 0.00 C ATOM 1023 C PRO A 68 -2.221 4.952 3.996 1.00 0.00 C ATOM 1024 O PRO A 68 -2.872 5.930 4.359 1.00 0.00 O ATOM 1025 CB PRO A 68 -2.033 2.824 5.376 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.661 3.033 6.745 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.105 4.326 7.320 1.00 0.00 C ATOM 0 HA PRO A 68 -0.435 3.991 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.784 2.533 4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.290 2.027 5.405 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.747 3.087 6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.433 2.194 7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.905 5.017 7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.529 4.141 8.227 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.167 4.495 2.716 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.371 3.329 2.371 1.00 0.00 C ATOM 1037 C PRO A 69 0.120 3.670 2.348 1.00 0.00 C ATOM 1038 O PRO A 69 0.504 4.808 2.614 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.899 2.880 1.018 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.645 4.073 0.444 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.859 5.073 1.568 1.00 0.00 C ATOM 0 HA PRO A 69 -1.459 2.527 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.083 2.577 0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.560 2.020 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.074 4.526 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.601 3.760 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.451 6.051 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.920 5.215 1.775 1.00 0.00 H new ATOM 1049 N GLN A 70 0.920 2.663 2.029 1.00 0.00 N ATOM 1050 CA GLN A 70 2.360 2.842 1.968 1.00 0.00 C ATOM 1051 C GLN A 70 2.991 1.773 1.073 1.00 0.00 C ATOM 1052 O GLN A 70 2.892 0.581 1.360 1.00 0.00 O ATOM 1053 CB GLN A 70 2.975 2.816 3.369 1.00 0.00 C ATOM 1054 CG GLN A 70 3.796 4.081 3.630 1.00 0.00 C ATOM 1055 CD GLN A 70 2.985 5.106 4.425 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.035 4.782 5.119 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.410 6.359 4.285 1.00 0.00 N ATOM 0 H GLN A 70 0.598 1.720 1.810 1.00 0.00 H new ATOM 0 HA GLN A 70 2.567 3.820 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.185 2.730 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.611 1.937 3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.702 3.824 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.110 4.517 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.212 6.562 3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.934 7.117 4.774 1.00 0.00 H new ATOM 1066 N ILE A 71 3.624 2.238 0.006 1.00 0.00 N ATOM 1067 CA ILE A 71 4.270 1.337 -0.933 1.00 0.00 C ATOM 1068 C ILE A 71 5.735 1.153 -0.530 1.00 0.00 C ATOM 1069 O ILE A 71 6.429 2.125 -0.237 1.00 0.00 O ATOM 1070 CB ILE A 71 4.085 1.836 -2.367 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.605 2.061 -2.683 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.746 0.885 -3.368 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.278 3.554 -2.743 1.00 0.00 C ATOM 0 H ILE A 71 3.703 3.227 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 71 3.803 0.353 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 71 4.584 2.800 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.358 1.592 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.990 1.581 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.600 1.263 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.813 0.818 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.296 -0.104 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.220 3.686 -2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.504 4.015 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.877 4.027 -3.521 1.00 0.00 H new ATOM 1085 N VAL A 72 6.161 -0.102 -0.529 1.00 0.00 N ATOM 1086 CA VAL A 72 7.530 -0.427 -0.167 1.00 0.00 C ATOM 1087 C VAL A 72 8.076 -1.473 -1.140 1.00 0.00 C ATOM 1088 O VAL A 72 7.348 -2.367 -1.568 1.00 0.00 O ATOM 1089 CB VAL A 72 7.593 -0.878 1.294 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.041 -0.969 1.778 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.771 0.050 2.190 1.00 0.00 C ATOM 0 H VAL A 72 5.582 -0.906 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 72 8.166 0.455 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 72 7.157 -1.875 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.057 -1.292 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.584 -1.689 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.515 0.009 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.833 -0.293 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.163 1.065 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.730 0.041 1.866 1.00 0.00 H new ATOM 1101 N ASN A 73 9.353 -1.327 -1.462 1.00 0.00 N ATOM 1102 CA ASN A 73 10.005 -2.249 -2.376 1.00 0.00 C ATOM 1103 C ASN A 73 11.106 -3.006 -1.632 1.00 0.00 C ATOM 1104 O ASN A 73 12.161 -2.445 -1.339 1.00 0.00 O ATOM 1105 CB ASN A 73 10.651 -1.501 -3.544 1.00 0.00 C ATOM 1106 CG ASN A 73 9.686 -1.394 -4.727 1.00 0.00 C ATOM 1107 OD1 ASN A 73 8.722 -0.647 -4.709 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.000 -2.179 -5.754 1.00 0.00 N ATOM 0 H ASN A 73 9.954 -0.584 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 73 9.249 -2.934 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.949 -0.503 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.558 -2.019 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.419 -2.179 -6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.822 -2.781 -5.703 1.00 0.00 H new ATOM 1115 N GLY A 74 10.824 -4.269 -1.348 1.00 0.00 N ATOM 1116 CA GLY A 74 11.778 -5.109 -0.644 1.00 0.00 C ATOM 1117 C GLY A 74 12.184 -4.478 0.690 1.00 0.00 C ATOM 1118 O GLY A 74 11.597 -4.781 1.728 1.00 0.00 O ATOM 0 H GLY A 74 9.948 -4.731 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.342 -6.092 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.662 -5.259 -1.263 1.00 0.00 H new ATOM 1122 N ASN A 75 13.185 -3.612 0.618 1.00 0.00 N ATOM 1123 CA ASN A 75 13.676 -2.936 1.807 1.00 0.00 C ATOM 1124 C ASN A 75 13.835 -1.444 1.511 1.00 0.00 C ATOM 1125 O ASN A 75 14.566 -0.743 2.209 1.00 0.00 O ATOM 1126 CB ASN A 75 15.041 -3.483 2.228 1.00 0.00 C ATOM 1127 CG ASN A 75 14.891 -4.575 3.289 1.00 0.00 C ATOM 1128 OD1 ASN A 75 14.274 -4.389 4.325 1.00 0.00 O ATOM 1129 ND2 ASN A 75 15.489 -5.721 2.975 1.00 0.00 N ATOM 0 H ASN A 75 13.669 -3.363 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 75 12.958 -3.103 2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.560 -3.885 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.656 -2.673 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.447 -6.511 3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.989 -5.810 2.091 1.00 0.00 H new ATOM 1136 N HIS A 76 13.139 -1.001 0.474 1.00 0.00 N ATOM 1137 CA HIS A 76 13.194 0.395 0.076 1.00 0.00 C ATOM 1138 C HIS A 76 11.825 1.043 0.287 1.00 0.00 C ATOM 1139 O HIS A 76 10.797 0.374 0.200 1.00 0.00 O ATOM 1140 CB HIS A 76 13.699 0.531 -1.362 1.00 0.00 C ATOM 1141 CG HIS A 76 15.013 -0.168 -1.620 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.211 0.266 -1.079 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.304 -1.272 -2.365 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.173 -0.549 -1.488 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.609 -1.501 -2.286 1.00 0.00 N ATOM 0 H HIS A 76 12.534 -1.585 -0.103 1.00 0.00 H new ATOM 0 HA HIS A 76 13.910 0.927 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.946 0.129 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.809 1.589 -1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.593 -1.861 -2.925 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.220 -0.473 -1.234 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.108 -2.263 -2.746 1.00 0.00 H new ATOM 1153 N TYR A 77 11.855 2.339 0.561 1.00 0.00 N ATOM 1154 CA TYR A 77 10.629 3.086 0.786 1.00 0.00 C ATOM 1155 C TYR A 77 10.280 3.946 -0.431 1.00 0.00 C ATOM 1156 O TYR A 77 11.005 4.882 -0.762 1.00 0.00 O ATOM 1157 CB TYR A 77 10.905 4.001 1.980 1.00 0.00 C ATOM 1158 CG TYR A 77 9.764 4.969 2.300 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.478 4.492 2.455 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.020 6.318 2.432 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.404 5.402 2.756 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.946 7.229 2.733 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.691 6.726 2.880 1.00 0.00 C ATOM 1164 OH TYR A 77 6.676 7.586 3.164 1.00 0.00 O ATOM 0 H TYR A 77 12.710 2.891 0.632 1.00 0.00 H new ATOM 0 HA TYR A 77 9.794 2.408 0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.103 3.386 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.810 4.575 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.278 3.436 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.026 6.691 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.393 5.042 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.133 8.287 2.840 1.00 0.00 H new ATOM 0 HH TYR A 77 7.028 8.499 3.225 1.00 0.00 H new ATOM 1174 N CYS A 78 9.169 3.597 -1.063 1.00 0.00 N ATOM 1175 CA CYS A 78 8.715 4.325 -2.235 1.00 0.00 C ATOM 1176 C CYS A 78 8.132 5.662 -1.774 1.00 0.00 C ATOM 1177 O CYS A 78 8.697 6.719 -2.053 1.00 0.00 O ATOM 1178 CB CYS A 78 7.706 3.513 -3.050 1.00 0.00 C ATOM 1179 SG CYS A 78 8.496 1.989 -3.685 1.00 0.00 S ATOM 0 H CYS A 78 8.570 2.820 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 78 9.558 4.508 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.848 3.256 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.331 4.111 -3.880 1.00 0.00 H new ATOM 0 HG CYS A 78 7.595 1.229 -4.233 1.00 0.00 H new ATOM 1185 N GLY A 79 7.009 5.573 -1.078 1.00 0.00 N ATOM 1186 CA GLY A 79 6.343 6.763 -0.576 1.00 0.00 C ATOM 1187 C GLY A 79 4.936 6.433 -0.073 1.00 0.00 C ATOM 1188 O GLY A 79 4.697 5.342 0.442 1.00 0.00 O ATOM 0 H GLY A 79 6.543 4.695 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.929 7.198 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.284 7.512 -1.366 1.00 0.00 H new ATOM 1192 N ASP A 80 4.042 7.396 -0.239 1.00 0.00 N ATOM 1193 CA ASP A 80 2.665 7.222 0.192 1.00 0.00 C ATOM 1194 C ASP A 80 1.746 7.247 -1.031 1.00 0.00 C ATOM 1195 O ASP A 80 2.217 7.233 -2.167 1.00 0.00 O ATOM 1196 CB ASP A 80 2.235 8.351 1.130 1.00 0.00 C ATOM 1197 CG ASP A 80 2.038 9.711 0.458 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.068 10.324 0.106 1.00 0.00 O ATOM 1199 OD2 ASP A 80 0.861 10.107 0.312 1.00 0.00 O ATOM 0 H ASP A 80 4.244 8.300 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 80 2.593 6.270 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.302 8.064 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.984 8.456 1.915 1.00 0.00 H new ATOM 1204 N TYR A 81 0.450 7.284 -0.756 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.540 7.311 -1.820 1.00 0.00 C ATOM 1206 C TYR A 81 -0.331 8.521 -2.732 1.00 0.00 C ATOM 1207 O TYR A 81 -0.504 8.425 -3.946 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.899 7.436 -1.128 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.058 7.725 -2.083 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.356 9.027 -2.432 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.807 6.685 -2.595 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.448 9.299 -3.331 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.899 6.957 -3.493 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.165 8.251 -3.817 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.196 8.508 -4.666 1.00 0.00 O ATOM 0 H TYR A 81 0.063 7.296 0.188 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.466 6.415 -2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.107 6.512 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.846 8.233 -0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.771 9.841 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.574 5.666 -2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.692 10.313 -3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.493 6.152 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.950 7.920 -4.452 1.00 0.00 H new ATOM 1225 N GLU A 82 0.037 9.633 -2.112 1.00 0.00 N ATOM 1226 CA GLU A 82 0.271 10.861 -2.853 1.00 0.00 C ATOM 1227 C GLU A 82 1.378 10.653 -3.888 1.00 0.00 C ATOM 1228 O GLU A 82 1.137 10.757 -5.090 1.00 0.00 O ATOM 1229 CB GLU A 82 0.612 12.014 -1.908 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.644 12.544 -1.213 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.904 14.004 -1.590 1.00 0.00 C ATOM 1232 OE1 GLU A 82 0.015 14.821 -1.366 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -2.017 14.270 -2.092 1.00 0.00 O ATOM 0 H GLU A 82 0.179 9.709 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.646 11.126 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.330 11.676 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.089 12.819 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.503 11.934 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.530 12.458 -0.132 1.00 0.00 H new ATOM 1240 N LEU A 83 2.569 10.364 -3.384 1.00 0.00 N ATOM 1241 CA LEU A 83 3.714 10.141 -4.250 1.00 0.00 C ATOM 1242 C LEU A 83 3.313 9.197 -5.385 1.00 0.00 C ATOM 1243 O LEU A 83 3.643 9.440 -6.545 1.00 0.00 O ATOM 1244 CB LEU A 83 4.914 9.651 -3.437 1.00 0.00 C ATOM 1245 CG LEU A 83 5.937 10.717 -3.041 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.245 11.955 -2.467 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.980 10.146 -2.079 1.00 0.00 C ATOM 0 H LEU A 83 2.766 10.279 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 83 4.031 11.077 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.543 9.177 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.427 8.880 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 83 6.467 11.032 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.995 12.697 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.574 12.376 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.673 11.675 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.695 10.925 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.485 9.786 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.505 9.320 -2.560 1.00 0.00 H new ATOM 1259 N PHE A 84 2.609 8.139 -5.011 1.00 0.00 N ATOM 1260 CA PHE A 84 2.160 7.157 -5.984 1.00 0.00 C ATOM 1261 C PHE A 84 1.380 7.825 -7.118 1.00 0.00 C ATOM 1262 O PHE A 84 1.645 7.572 -8.292 1.00 0.00 O ATOM 1263 CB PHE A 84 1.234 6.188 -5.246 1.00 0.00 C ATOM 1264 CG PHE A 84 1.021 4.857 -5.970 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.045 3.967 -6.073 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.191 4.563 -6.511 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.848 2.732 -6.745 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.389 3.328 -7.183 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.635 2.439 -7.286 1.00 0.00 C ATOM 0 H PHE A 84 2.338 7.940 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 84 3.018 6.647 -6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.647 5.990 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.267 6.668 -5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.008 4.200 -5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.004 5.269 -6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.661 2.026 -6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.352 3.095 -7.612 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.485 1.500 -7.798 1.00 0.00 H new ATOM 1279 N VAL A 85 0.433 8.666 -6.727 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.387 9.372 -7.696 1.00 0.00 C ATOM 1281 C VAL A 85 0.497 10.312 -8.518 1.00 0.00 C ATOM 1282 O VAL A 85 0.367 10.384 -9.739 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.531 10.097 -6.984 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.256 11.600 -6.895 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.868 9.825 -7.675 1.00 0.00 C ATOM 0 H VAL A 85 0.216 8.874 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.848 8.669 -8.390 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.594 9.706 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.084 12.092 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.335 11.769 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.153 12.011 -7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.664 10.352 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.822 10.174 -8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.073 8.754 -7.663 1.00 0.00 H new ATOM 1295 N GLU A 86 1.378 11.010 -7.815 1.00 0.00 N ATOM 1296 CA GLU A 86 2.283 11.942 -8.464 1.00 0.00 C ATOM 1297 C GLU A 86 2.984 11.267 -9.644 1.00 0.00 C ATOM 1298 O GLU A 86 3.051 11.829 -10.736 1.00 0.00 O ATOM 1299 CB GLU A 86 3.302 12.500 -7.468 1.00 0.00 C ATOM 1300 CG GLU A 86 3.100 14.003 -7.261 1.00 0.00 C ATOM 1301 CD GLU A 86 4.276 14.615 -6.498 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.697 13.985 -5.504 1.00 0.00 O ATOM 1303 OE2 GLU A 86 4.729 15.698 -6.927 1.00 0.00 O ATOM 0 H GLU A 86 1.484 10.948 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 86 1.699 12.780 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.205 11.982 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.312 12.312 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.993 14.496 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.175 14.177 -6.711 1.00 0.00 H new ATOM 1310 N ALA A 87 3.489 10.069 -9.385 1.00 0.00 N ATOM 1311 CA ALA A 87 4.183 9.311 -10.412 1.00 0.00 C ATOM 1312 C ALA A 87 3.164 8.772 -11.418 1.00 0.00 C ATOM 1313 O ALA A 87 3.259 9.049 -12.613 1.00 0.00 O ATOM 1314 CB ALA A 87 5.003 8.197 -9.759 1.00 0.00 C ATOM 0 H ALA A 87 3.431 9.605 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 87 4.878 9.950 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.523 7.629 -10.530 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.732 8.634 -9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.339 7.533 -9.205 1.00 0.00 H new ATOM 1320 N VAL A 88 2.211 8.013 -10.897 1.00 0.00 N ATOM 1321 CA VAL A 88 1.175 7.433 -11.735 1.00 0.00 C ATOM 1322 C VAL A 88 0.741 8.457 -12.785 1.00 0.00 C ATOM 1323 O VAL A 88 0.642 8.135 -13.968 1.00 0.00 O ATOM 1324 CB VAL A 88 0.016 6.939 -10.867 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.188 6.552 -11.728 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.453 5.772 -9.979 1.00 0.00 C ATOM 0 H VAL A 88 2.134 7.786 -9.905 1.00 0.00 H new ATOM 0 HA VAL A 88 1.558 6.563 -12.269 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.287 7.759 -10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.998 6.204 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.523 7.420 -12.297 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.903 5.756 -12.416 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.390 5.441 -9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.797 4.948 -10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.264 6.095 -9.327 1.00 0.00 H new ATOM 1336 N GLU A 89 0.494 9.671 -12.315 1.00 0.00 N ATOM 1337 CA GLU A 89 0.074 10.745 -13.199 1.00 0.00 C ATOM 1338 C GLU A 89 1.178 11.065 -14.208 1.00 0.00 C ATOM 1339 O GLU A 89 0.918 11.177 -15.405 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.318 11.990 -12.402 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.531 11.711 -11.512 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.670 12.687 -11.815 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -2.351 13.867 -12.078 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.833 12.231 -11.778 1.00 0.00 O ATOM 0 H GLU A 89 0.577 9.935 -11.333 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.807 10.413 -13.748 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.522 12.312 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.545 12.808 -13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.873 10.688 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.244 11.795 -10.464 1.00 0.00 H new ATOM 1351 N GLN A 90 2.389 11.203 -13.688 1.00 0.00 N ATOM 1352 CA GLN A 90 3.535 11.508 -14.528 1.00 0.00 C ATOM 1353 C GLN A 90 3.886 10.304 -15.404 1.00 0.00 C ATOM 1354 O GLN A 90 4.715 10.409 -16.307 1.00 0.00 O ATOM 1355 CB GLN A 90 4.735 11.941 -13.684 1.00 0.00 C ATOM 1356 CG GLN A 90 4.472 13.288 -13.008 1.00 0.00 C ATOM 1357 CD GLN A 90 4.318 14.401 -14.046 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.257 14.791 -14.721 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.084 14.890 -14.136 1.00 0.00 N ATOM 0 H GLN A 90 2.602 11.109 -12.695 1.00 0.00 H new ATOM 0 HA GLN A 90 3.272 12.342 -15.179 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.944 11.185 -12.927 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.621 12.013 -14.315 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.569 13.224 -12.401 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.294 13.527 -12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.343 14.518 -13.541 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.878 15.637 -14.800 1.00 0.00 H new ATOM 1368 N ASP A 91 3.238 9.187 -15.107 1.00 0.00 N ATOM 1369 CA ASP A 91 3.472 7.964 -15.856 1.00 0.00 C ATOM 1370 C ASP A 91 4.828 7.378 -15.457 1.00 0.00 C ATOM 1371 O ASP A 91 5.348 6.492 -16.133 1.00 0.00 O ATOM 1372 CB ASP A 91 3.500 8.237 -17.361 1.00 0.00 C ATOM 1373 CG ASP A 91 2.713 7.240 -18.214 1.00 0.00 C ATOM 1374 OD1 ASP A 91 2.438 6.139 -17.690 1.00 0.00 O ATOM 1375 OD2 ASP A 91 2.405 7.600 -19.371 1.00 0.00 O ATOM 0 H ASP A 91 2.551 9.103 -14.358 1.00 0.00 H new ATOM 0 HA ASP A 91 2.662 7.270 -15.630 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.105 9.237 -17.541 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.537 8.239 -17.695 1.00 0.00 H new ATOM 1380 N THR A 92 5.361 7.897 -14.361 1.00 0.00 N ATOM 1381 CA THR A 92 6.646 7.436 -13.864 1.00 0.00 C ATOM 1382 C THR A 92 6.455 6.559 -12.625 1.00 0.00 C ATOM 1383 O THR A 92 7.229 6.646 -11.673 1.00 0.00 O ATOM 1384 CB THR A 92 7.523 8.664 -13.609 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.668 9.561 -12.904 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.868 9.414 -14.897 1.00 0.00 C ATOM 0 H THR A 92 4.927 8.632 -13.803 1.00 0.00 H new ATOM 0 HA THR A 92 7.150 6.805 -14.596 1.00 0.00 H new ATOM 0 HB THR A 92 8.442 8.356 -13.110 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.157 10.384 -12.697 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.491 10.276 -14.660 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.409 8.750 -15.571 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.950 9.751 -15.379 1.00 0.00 H new ATOM 1394 N LEU A 93 5.421 5.732 -12.678 1.00 0.00 N ATOM 1395 CA LEU A 93 5.118 4.840 -11.573 1.00 0.00 C ATOM 1396 C LEU A 93 6.219 3.783 -11.460 1.00 0.00 C ATOM 1397 O LEU A 93 6.493 3.280 -10.372 1.00 0.00 O ATOM 1398 CB LEU A 93 3.715 4.251 -11.728 1.00 0.00 C ATOM 1399 CG LEU A 93 3.274 3.271 -10.638 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.226 3.956 -9.271 1.00 0.00 C ATOM 1401 CD2 LEU A 93 1.940 2.615 -10.998 1.00 0.00 C ATOM 0 H LEU A 93 4.782 5.661 -13.470 1.00 0.00 H new ATOM 0 HA LEU A 93 5.105 5.391 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.999 5.073 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.661 3.742 -12.690 1.00 0.00 H new ATOM 0 HG LEU A 93 4.017 2.476 -10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.910 3.237 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.216 4.336 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.518 4.784 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.649 1.923 -10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.175 3.383 -11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.044 2.070 -11.936 1.00 0.00 H new ATOM 1413 N GLN A 94 6.820 3.477 -12.601 1.00 0.00 N ATOM 1414 CA GLN A 94 7.885 2.489 -12.644 1.00 0.00 C ATOM 1415 C GLN A 94 9.146 3.038 -11.974 1.00 0.00 C ATOM 1416 O GLN A 94 9.850 2.310 -11.276 1.00 0.00 O ATOM 1417 CB GLN A 94 8.173 2.056 -14.083 1.00 0.00 C ATOM 1418 CG GLN A 94 7.205 0.959 -14.530 1.00 0.00 C ATOM 1419 CD GLN A 94 6.551 1.315 -15.866 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.495 2.464 -16.272 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.060 0.269 -16.525 1.00 0.00 N ATOM 0 H GLN A 94 6.590 3.896 -13.502 1.00 0.00 H new ATOM 0 HA GLN A 94 7.559 1.607 -12.092 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.088 2.915 -14.749 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.198 1.694 -14.159 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.739 0.014 -14.623 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.436 0.817 -13.771 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.140 -0.667 -16.128 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.603 0.403 -17.427 1.00 0.00 H new ATOM 1430 N GLU A 95 9.393 4.318 -12.210 1.00 0.00 N ATOM 1431 CA GLU A 95 10.557 4.973 -11.638 1.00 0.00 C ATOM 1432 C GLU A 95 10.422 5.063 -10.116 1.00 0.00 C ATOM 1433 O GLU A 95 11.320 4.650 -9.384 1.00 0.00 O ATOM 1434 CB GLU A 95 10.763 6.360 -12.252 1.00 0.00 C ATOM 1435 CG GLU A 95 12.068 6.417 -13.049 1.00 0.00 C ATOM 1436 CD GLU A 95 12.411 7.858 -13.435 1.00 0.00 C ATOM 1437 OE1 GLU A 95 12.455 8.698 -12.511 1.00 0.00 O ATOM 1438 OE2 GLU A 95 12.622 8.085 -14.646 1.00 0.00 O ATOM 0 H GLU A 95 8.807 4.919 -12.789 1.00 0.00 H new ATOM 0 HA GLU A 95 11.437 4.374 -11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.923 6.602 -12.904 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.781 7.112 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.879 5.992 -12.457 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.976 5.808 -13.948 1.00 0.00 H new ATOM 1445 N PHE A 96 9.292 5.604 -9.685 1.00 0.00 N ATOM 1446 CA PHE A 96 9.028 5.753 -8.264 1.00 0.00 C ATOM 1447 C PHE A 96 9.347 4.461 -7.509 1.00 0.00 C ATOM 1448 O PHE A 96 10.022 4.489 -6.481 1.00 0.00 O ATOM 1449 CB PHE A 96 7.536 6.060 -8.117 1.00 0.00 C ATOM 1450 CG PHE A 96 7.049 6.098 -6.667 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.621 6.956 -5.780 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.044 5.275 -6.265 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.169 6.992 -4.434 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.593 5.310 -4.919 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.165 6.168 -4.032 1.00 0.00 C ATOM 0 H PHE A 96 8.549 5.945 -10.295 1.00 0.00 H new ATOM 0 HA PHE A 96 9.650 6.547 -7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.325 7.021 -8.586 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.965 5.308 -8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.419 7.610 -6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.589 4.595 -6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.623 7.674 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.796 4.655 -4.600 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.822 6.195 -3.008 1.00 0.00 H new ATOM 1465 N LEU A 97 8.847 3.359 -8.048 1.00 0.00 N ATOM 1466 CA LEU A 97 9.071 2.059 -7.438 1.00 0.00 C ATOM 1467 C LEU A 97 10.501 1.602 -7.733 1.00 0.00 C ATOM 1468 O LEU A 97 11.324 2.387 -8.200 1.00 0.00 O ATOM 1469 CB LEU A 97 8.001 1.063 -7.891 1.00 0.00 C ATOM 1470 CG LEU A 97 6.556 1.562 -7.842 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.640 0.675 -8.687 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.066 1.680 -6.397 1.00 0.00 C ATOM 0 H LEU A 97 8.287 3.339 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 97 8.974 2.125 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.225 0.760 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.077 0.171 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 97 6.525 2.561 -8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.619 1.052 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.978 0.686 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.670 -0.346 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.036 2.037 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.115 0.703 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.697 2.384 -5.855 1.00 0.00 H new ATOM 1484 N LYS A 98 10.753 0.333 -7.446 1.00 0.00 N ATOM 1485 CA LYS A 98 12.070 -0.238 -7.674 1.00 0.00 C ATOM 1486 C LYS A 98 12.013 -1.172 -8.885 1.00 0.00 C ATOM 1487 O LYS A 98 12.465 -2.314 -8.814 1.00 0.00 O ATOM 1488 CB LYS A 98 12.589 -0.911 -6.402 1.00 0.00 C ATOM 1489 CG LYS A 98 14.010 -0.444 -6.076 1.00 0.00 C ATOM 1490 CD LYS A 98 13.987 0.812 -5.203 1.00 0.00 C ATOM 1491 CE LYS A 98 15.406 1.253 -4.840 1.00 0.00 C ATOM 1492 NZ LYS A 98 15.544 2.720 -4.978 1.00 0.00 N ATOM 0 H LYS A 98 10.068 -0.316 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 98 12.790 0.546 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.926 -0.681 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.578 -1.994 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.549 -1.239 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.550 -0.239 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.476 1.617 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.419 0.617 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.635 0.955 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.126 0.752 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.513 3.003 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.346 2.996 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.870 3.193 -4.343 1.00 0.00 H new ATOM 1506 N LEU A 99 11.454 -0.652 -9.968 1.00 0.00 N ATOM 1507 CA LEU A 99 11.332 -1.425 -11.192 1.00 0.00 C ATOM 1508 C LEU A 99 12.424 -0.994 -12.173 1.00 0.00 C ATOM 1509 O LEU A 99 13.128 -1.834 -12.732 1.00 0.00 O ATOM 1510 CB LEU A 99 9.916 -1.311 -11.759 1.00 0.00 C ATOM 1511 CG LEU A 99 8.777 -1.651 -10.795 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.415 -1.442 -11.459 1.00 0.00 C ATOM 1513 CD2 LEU A 99 8.933 -3.069 -10.241 1.00 0.00 C ATOM 0 H LEU A 99 11.080 0.296 -10.023 1.00 0.00 H new ATOM 0 HA LEU A 99 11.485 -2.485 -10.990 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.770 -0.292 -12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.839 -1.967 -12.626 1.00 0.00 H new ATOM 0 HG LEU A 99 8.830 -0.966 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.624 -1.691 -10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.315 -0.400 -11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.335 -2.086 -12.335 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.111 -3.286 -9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.920 -3.784 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.879 -3.148 -9.706 1.00 0.00 H new ATOM 1525 N ALA A 100 12.531 0.314 -12.352 1.00 0.00 N ATOM 1526 CA ALA A 100 13.525 0.867 -13.256 1.00 0.00 C ATOM 1527 C ALA A 100 14.271 2.003 -12.553 1.00 0.00 C ATOM 1528 O ALA A 100 14.678 2.972 -13.193 1.00 0.00 O ATOM 1529 CB ALA A 100 12.843 1.327 -14.546 1.00 0.00 C ATOM 0 H ALA A 100 11.946 1.007 -11.886 1.00 0.00 H new ATOM 0 HA ALA A 100 14.260 0.109 -13.529 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.589 1.742 -15.224 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.353 0.477 -15.022 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.100 2.090 -14.313 1.00 0.00 H new TER 1535 ALA A 100