USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 706 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 67 SER OG : rot 79:sc= 0 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -4.28! C(o=-6.4!,f=-4.3!) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 30 ASN : amide:sc= 1.7 K(o=2.7,f=1.8) USER MOD Set 3.2: A 32 SER OG : rot 175:sc= 0.998 USER MOD Set 4.1: A 7 THR OG1 : rot -66:sc= 1.12 USER MOD Set 4.2: A 93 ASN : amide:sc= -1.98 K(o=-0.85,f=-8.1!) USER MOD Single : A 3 LYS NZ :NH3+ 154:sc=0.000335 (180deg=0) USER MOD Single : A 5 SER OG : rot 51:sc= -0.629 USER MOD Single : A 6 GLN : amide:sc= -0.947 K(o=-0.95,f=-1.9) USER MOD Single : A 9 TYR OH : rot -19:sc= 0.977 USER MOD Single : A 10 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.6!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.973 USER MOD Single : A 14 GLN :FLIP amide:sc= -2.04! C(o=-3.9!,f=-2!) USER MOD Single : A 16 SER OG : rot 50:sc= -1.77! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 20 SER OG : rot -10:sc= 0.26 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.85 F(o=-2.9!,f=-1.8) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.59) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 61 THR OG1 : rot 150:sc= -0.0511 USER MOD Single : A 62 GLN : amide:sc= -0.0894 K(o=-0.089,f=-1.6!) USER MOD Single : A 66 SER OG : rot 60:sc= 0.772 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 140:sc= 0.316 USER MOD Single : A 79 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.37) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -40:sc= -0.439 USER MOD Single : A 84 LYS NZ :NH3+ -160:sc= 1.29 (180deg=0.894) USER MOD Single : A 90 HIS : no HE2:sc= 0.521 K(o=0.52,f=-2.2!) USER MOD Single : A 97 THR OG1 : rot -82:sc= -0.0894 USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= -0.0444 (180deg=-1.06) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -4.103 -1.867 -11.502 1.00 0.00 N ATOM 23 CA GLY A 2 -3.875 -0.950 -10.401 1.00 0.00 C ATOM 24 C GLY A 2 -5.056 -0.037 -10.151 1.00 0.00 C ATOM 25 O GLY A 2 -6.211 -0.460 -10.187 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.663 -1.520 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.992 -0.347 -10.612 1.00 0.00 H new ATOM 29 N LYS A 3 -4.744 1.233 -9.951 1.00 0.00 N ATOM 30 CA LYS A 3 -5.758 2.265 -9.739 1.00 0.00 C ATOM 31 C LYS A 3 -6.955 1.741 -8.922 1.00 0.00 C ATOM 32 O LYS A 3 -8.060 1.597 -9.445 1.00 0.00 O ATOM 33 CB LYS A 3 -6.214 2.783 -11.127 1.00 0.00 C ATOM 34 CG LYS A 3 -5.432 4.053 -11.546 1.00 0.00 C ATOM 35 CD LYS A 3 -3.909 3.786 -11.634 1.00 0.00 C ATOM 36 CE LYS A 3 -3.532 3.121 -12.975 1.00 0.00 C ATOM 37 NZ LYS A 3 -2.338 2.252 -12.766 1.00 0.00 N ATOM 0 H LYS A 3 -3.786 1.582 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.327 3.078 -9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.068 2.002 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.281 3.004 -11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.796 4.402 -12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.621 4.850 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.366 4.725 -11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.602 3.144 -10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.367 2.530 -13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.318 3.882 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.332 1.493 -13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.473 2.822 -12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.375 1.834 -11.814 1.00 0.00 H new ATOM 51 N PHE A 4 -6.739 1.483 -7.630 1.00 0.00 N ATOM 52 CA PHE A 4 -7.827 1.012 -6.770 1.00 0.00 C ATOM 53 C PHE A 4 -8.639 2.207 -6.279 1.00 0.00 C ATOM 54 O PHE A 4 -9.864 2.140 -6.190 1.00 0.00 O ATOM 55 CB PHE A 4 -7.286 0.213 -5.571 1.00 0.00 C ATOM 56 CG PHE A 4 -6.504 1.112 -4.642 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.197 1.494 -4.987 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.072 1.560 -3.426 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.452 2.323 -4.133 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.321 2.387 -2.561 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.010 2.776 -2.918 1.00 0.00 C ATOM 0 H PHE A 4 -5.838 1.590 -7.163 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.465 0.348 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.113 -0.246 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.648 -0.597 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.763 1.148 -5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.078 1.270 -3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.449 2.615 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.749 2.722 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.438 3.417 -2.264 1.00 0.00 H new ATOM 71 N SER A 5 -7.946 3.305 -5.978 1.00 0.00 N ATOM 72 CA SER A 5 -8.610 4.519 -5.509 1.00 0.00 C ATOM 73 C SER A 5 -9.685 4.967 -6.497 1.00 0.00 C ATOM 74 O SER A 5 -10.636 5.649 -6.117 1.00 0.00 O ATOM 75 CB SER A 5 -7.575 5.635 -5.302 1.00 0.00 C ATOM 76 OG SER A 5 -7.231 5.684 -3.924 1.00 0.00 O ATOM 0 H SER A 5 -6.931 3.378 -6.050 1.00 0.00 H new ATOM 0 HA SER A 5 -9.095 4.303 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.688 5.446 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.982 6.593 -5.625 1.00 0.00 H new ATOM 0 HG SER A 5 -6.984 4.787 -3.616 1.00 0.00 H new ATOM 82 N GLN A 6 -9.535 4.585 -7.760 1.00 0.00 N ATOM 83 CA GLN A 6 -10.513 4.968 -8.768 1.00 0.00 C ATOM 84 C GLN A 6 -11.886 4.422 -8.395 1.00 0.00 C ATOM 85 O GLN A 6 -12.906 5.058 -8.653 1.00 0.00 O ATOM 86 CB GLN A 6 -10.095 4.438 -10.149 1.00 0.00 C ATOM 87 CG GLN A 6 -8.920 5.260 -10.699 1.00 0.00 C ATOM 88 CD GLN A 6 -8.684 4.899 -12.167 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.131 3.867 -12.630 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.989 5.705 -12.920 1.00 0.00 N ATOM 0 H GLN A 6 -8.759 4.020 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.561 6.056 -8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.810 3.389 -10.073 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.939 4.490 -10.837 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.133 6.325 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.020 5.062 -10.116 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.614 6.570 -12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.820 5.470 -13.898 1.00 0.00 H new ATOM 99 N THR A 7 -11.902 3.238 -7.779 1.00 0.00 N ATOM 100 CA THR A 7 -13.155 2.600 -7.361 1.00 0.00 C ATOM 101 C THR A 7 -13.056 2.149 -5.906 1.00 0.00 C ATOM 102 O THR A 7 -13.598 1.112 -5.524 1.00 0.00 O ATOM 103 CB THR A 7 -13.470 1.382 -8.249 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.522 0.625 -7.667 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.225 0.511 -8.381 1.00 0.00 C ATOM 0 H THR A 7 -11.063 2.701 -7.558 1.00 0.00 H new ATOM 0 HA THR A 7 -13.957 3.331 -7.464 1.00 0.00 H new ATOM 0 HB THR A 7 -13.778 1.726 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.215 0.234 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.449 -0.351 -9.010 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.421 1.091 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.914 0.169 -7.394 1.00 0.00 H new ATOM 113 N CYS A 8 -12.377 2.958 -5.091 1.00 0.00 N ATOM 114 CA CYS A 8 -12.223 2.665 -3.663 1.00 0.00 C ATOM 115 C CYS A 8 -12.223 3.956 -2.860 1.00 0.00 C ATOM 116 O CYS A 8 -11.648 4.962 -3.277 1.00 0.00 O ATOM 117 CB CYS A 8 -10.935 1.879 -3.397 1.00 0.00 C ATOM 118 SG CYS A 8 -11.102 0.206 -4.065 1.00 0.00 S ATOM 0 H CYS A 8 -11.925 3.821 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.067 2.050 -3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.086 2.384 -3.859 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.737 1.837 -2.326 1.00 0.00 H new ATOM 123 N TYR A 9 -12.891 3.921 -1.708 1.00 0.00 N ATOM 124 CA TYR A 9 -12.993 5.093 -0.837 1.00 0.00 C ATOM 125 C TYR A 9 -12.825 4.692 0.626 1.00 0.00 C ATOM 126 O TYR A 9 -12.869 3.509 0.963 1.00 0.00 O ATOM 127 CB TYR A 9 -14.357 5.760 -1.035 1.00 0.00 C ATOM 128 CG TYR A 9 -15.461 4.768 -0.727 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.882 3.847 -1.712 1.00 0.00 C ATOM 130 CD2 TYR A 9 -16.072 4.764 0.545 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.913 2.924 -1.423 1.00 0.00 C ATOM 132 CE2 TYR A 9 -17.100 3.840 0.835 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.522 2.922 -0.149 1.00 0.00 C ATOM 134 OH TYR A 9 -18.537 2.029 0.131 1.00 0.00 O ATOM 0 H TYR A 9 -13.371 3.093 -1.355 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.200 5.793 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.445 6.630 -0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.452 6.118 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.416 3.848 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.753 5.469 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.235 2.220 -2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.563 3.836 1.811 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.922 1.698 -0.707 1.00 0.00 H new ATOM 144 N ASN A 10 -12.613 5.690 1.483 1.00 0.00 N ATOM 145 CA ASN A 10 -12.418 5.446 2.909 1.00 0.00 C ATOM 146 C ASN A 10 -11.201 4.559 3.126 1.00 0.00 C ATOM 147 O ASN A 10 -11.232 3.626 3.930 1.00 0.00 O ATOM 148 CB ASN A 10 -13.660 4.786 3.517 1.00 0.00 C ATOM 149 CG ASN A 10 -13.515 4.711 5.037 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.650 5.343 5.610 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.336 3.961 5.720 1.00 0.00 N ATOM 0 H ASN A 10 -12.572 6.673 1.214 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.255 6.403 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.551 5.356 3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.790 3.785 3.105 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.251 3.905 6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.062 3.430 5.239 1.00 0.00 H new ATOM 158 N SER A 11 -10.125 4.860 2.400 1.00 0.00 N ATOM 159 CA SER A 11 -8.893 4.088 2.514 1.00 0.00 C ATOM 160 C SER A 11 -8.108 4.504 3.749 1.00 0.00 C ATOM 161 O SER A 11 -8.192 5.646 4.198 1.00 0.00 O ATOM 162 CB SER A 11 -8.028 4.277 1.266 1.00 0.00 C ATOM 163 OG SER A 11 -7.740 5.657 1.097 1.00 0.00 O ATOM 0 H SER A 11 -10.083 5.629 1.731 1.00 0.00 H new ATOM 0 HA SER A 11 -9.162 3.036 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.102 3.710 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.547 3.892 0.388 1.00 0.00 H new ATOM 0 HG SER A 11 -7.185 5.780 0.299 1.00 0.00 H new ATOM 169 N ALA A 12 -7.345 3.562 4.295 1.00 0.00 N ATOM 170 CA ALA A 12 -6.540 3.822 5.484 1.00 0.00 C ATOM 171 C ALA A 12 -5.358 2.868 5.532 1.00 0.00 C ATOM 172 O ALA A 12 -5.400 1.782 4.953 1.00 0.00 O ATOM 173 CB ALA A 12 -7.392 3.652 6.732 1.00 0.00 C ATOM 0 H ALA A 12 -7.267 2.612 3.933 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.167 4.845 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.785 3.847 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.226 4.353 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.777 2.633 6.774 1.00 0.00 H new ATOM 179 N ILE A 13 -4.295 3.280 6.220 1.00 0.00 N ATOM 180 CA ILE A 13 -3.092 2.457 6.333 1.00 0.00 C ATOM 181 C ILE A 13 -2.495 2.586 7.724 1.00 0.00 C ATOM 182 O ILE A 13 -2.463 3.673 8.300 1.00 0.00 O ATOM 183 CB ILE A 13 -2.048 2.886 5.286 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.761 3.024 3.938 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.930 1.831 5.195 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.759 3.323 2.833 1.00 0.00 C ATOM 0 H ILE A 13 -4.242 4.175 6.706 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.370 1.418 6.156 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.594 3.836 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.300 2.105 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.501 3.822 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.196 2.142 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.444 1.731 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.358 0.872 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.283 3.418 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.239 4.255 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.035 2.511 2.769 1.00 0.00 H new ATOM 198 N GLN A 14 -2.027 1.462 8.265 1.00 0.00 N ATOM 199 CA GLN A 14 -1.439 1.451 9.603 1.00 0.00 C ATOM 200 C GLN A 14 -0.389 0.344 9.721 1.00 0.00 C ATOM 201 O GLN A 14 -0.702 -0.797 10.059 1.00 0.00 O ATOM 202 CB GLN A 14 -2.555 1.247 10.650 1.00 0.00 C ATOM 203 CG GLN A 14 -2.157 1.867 11.998 1.00 0.00 C ATOM 204 CD GLN A 14 -0.770 1.374 12.414 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.289 1.964 11.931 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.648 0.443 13.185 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.043 0.554 7.801 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.945 2.406 9.783 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.480 1.700 10.295 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.750 0.182 10.778 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.157 2.954 11.921 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.890 1.601 12.760 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.476 -0.018 13.563 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.282 0.123 13.455 1.00 0.00 H new ATOM 215 N GLY A 15 0.858 0.701 9.430 1.00 0.00 N ATOM 216 CA GLY A 15 1.966 -0.244 9.496 1.00 0.00 C ATOM 217 C GLY A 15 2.314 -0.809 8.134 1.00 0.00 C ATOM 218 O GLY A 15 3.228 -0.329 7.472 1.00 0.00 O ATOM 0 H GLY A 15 1.127 1.643 9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.841 0.252 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.707 -1.060 10.171 1.00 0.00 H new ATOM 222 N SER A 16 1.585 -1.839 7.711 1.00 0.00 N ATOM 223 CA SER A 16 1.839 -2.468 6.412 1.00 0.00 C ATOM 224 C SER A 16 0.553 -3.078 5.858 1.00 0.00 C ATOM 225 O SER A 16 0.586 -3.996 5.039 1.00 0.00 O ATOM 226 CB SER A 16 2.934 -3.539 6.568 1.00 0.00 C ATOM 227 OG SER A 16 3.871 -3.399 5.512 1.00 0.00 O ATOM 0 H SER A 16 0.819 -2.255 8.242 1.00 0.00 H new ATOM 0 HA SER A 16 2.183 -1.714 5.704 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.433 -3.430 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.492 -4.535 6.549 1.00 0.00 H new ATOM 0 HG SER A 16 4.156 -2.463 5.450 1.00 0.00 H new ATOM 233 N VAL A 17 -0.576 -2.551 6.324 1.00 0.00 N ATOM 234 CA VAL A 17 -1.891 -3.030 5.891 1.00 0.00 C ATOM 235 C VAL A 17 -2.713 -1.893 5.308 1.00 0.00 C ATOM 236 O VAL A 17 -2.936 -0.875 5.955 1.00 0.00 O ATOM 237 CB VAL A 17 -2.666 -3.658 7.070 1.00 0.00 C ATOM 238 CG1 VAL A 17 -2.922 -2.608 8.164 1.00 0.00 C ATOM 239 CG2 VAL A 17 -4.001 -4.220 6.562 1.00 0.00 C ATOM 0 H VAL A 17 -0.609 -1.790 7.003 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.726 -3.788 5.125 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.070 -4.465 7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.469 -3.067 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.970 -2.224 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.509 -1.788 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.549 -4.664 7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.592 -3.415 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.811 -4.981 5.805 1.00 0.00 H new ATOM 249 N LEU A 18 -3.199 -2.100 4.088 1.00 0.00 N ATOM 250 CA LEU A 18 -4.048 -1.121 3.417 1.00 0.00 C ATOM 251 C LEU A 18 -5.478 -1.595 3.622 1.00 0.00 C ATOM 252 O LEU A 18 -5.747 -2.777 3.449 1.00 0.00 O ATOM 253 CB LEU A 18 -3.691 -1.077 1.911 1.00 0.00 C ATOM 254 CG LEU A 18 -4.009 0.295 1.282 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.884 0.185 -0.245 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.436 0.743 1.649 1.00 0.00 C ATOM 0 H LEU A 18 -3.018 -2.942 3.541 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.913 -0.115 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.631 -1.298 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.244 -1.854 1.384 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.305 1.033 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.107 1.151 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.869 -0.113 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.587 -0.561 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.641 1.713 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.154 0.011 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.525 0.823 2.732 1.00 0.00 H new ATOM 268 N THR A 19 -6.399 -0.705 3.970 1.00 0.00 N ATOM 269 CA THR A 19 -7.795 -1.095 4.173 1.00 0.00 C ATOM 270 C THR A 19 -8.668 -0.027 3.552 1.00 0.00 C ATOM 271 O THR A 19 -8.487 1.157 3.831 1.00 0.00 O ATOM 272 CB THR A 19 -8.135 -1.198 5.674 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.321 -2.194 6.278 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.608 -1.573 5.844 1.00 0.00 C ATOM 0 H THR A 19 -6.210 0.286 4.118 1.00 0.00 H new ATOM 0 HA THR A 19 -7.963 -2.070 3.716 1.00 0.00 H new ATOM 0 HB THR A 19 -7.949 -0.236 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.536 -2.258 7.232 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.845 -1.645 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.234 -0.808 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.797 -2.533 5.364 1.00 0.00 H new ATOM 282 N SER A 20 -9.600 -0.428 2.693 1.00 0.00 N ATOM 283 CA SER A 20 -10.461 0.544 2.030 1.00 0.00 C ATOM 284 C SER A 20 -11.756 -0.089 1.551 1.00 0.00 C ATOM 285 O SER A 20 -11.771 -1.223 1.071 1.00 0.00 O ATOM 286 CB SER A 20 -9.718 1.139 0.827 1.00 0.00 C ATOM 287 OG SER A 20 -10.355 2.347 0.433 1.00 0.00 O ATOM 0 H SER A 20 -9.777 -1.401 2.443 1.00 0.00 H new ATOM 0 HA SER A 20 -10.710 1.322 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.677 1.331 1.087 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.715 0.429 -0.000 1.00 0.00 H new ATOM 0 HG SER A 20 -11.208 2.437 0.907 1.00 0.00 H new ATOM 293 N THR A 21 -12.837 0.675 1.654 1.00 0.00 N ATOM 294 CA THR A 21 -14.137 0.215 1.194 1.00 0.00 C ATOM 295 C THR A 21 -14.196 0.383 -0.315 1.00 0.00 C ATOM 296 O THR A 21 -13.987 1.482 -0.828 1.00 0.00 O ATOM 297 CB THR A 21 -15.272 1.021 1.847 1.00 0.00 C ATOM 298 OG1 THR A 21 -15.060 1.067 3.251 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.614 0.348 1.556 1.00 0.00 C ATOM 0 H THR A 21 -12.837 1.614 2.052 1.00 0.00 H new ATOM 0 HA THR A 21 -14.266 -0.831 1.471 1.00 0.00 H new ATOM 0 HB THR A 21 -15.283 2.033 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.779 1.581 3.674 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.417 0.921 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.774 0.306 0.479 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.609 -0.664 1.962 1.00 0.00 H new ATOM 307 N CYS A 22 -14.461 -0.712 -1.027 1.00 0.00 N ATOM 308 CA CYS A 22 -14.518 -0.684 -2.490 1.00 0.00 C ATOM 309 C CYS A 22 -15.854 -1.204 -3.000 1.00 0.00 C ATOM 310 O CYS A 22 -16.527 -1.989 -2.335 1.00 0.00 O ATOM 311 CB CYS A 22 -13.378 -1.531 -3.055 1.00 0.00 C ATOM 312 SG CYS A 22 -11.787 -0.870 -2.499 1.00 0.00 S ATOM 0 H CYS A 22 -14.639 -1.628 -0.616 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.413 0.349 -2.822 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.486 -2.566 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.420 -1.534 -4.144 1.00 0.00 H new ATOM 317 N GLU A 23 -16.228 -0.737 -4.186 1.00 0.00 N ATOM 318 CA GLU A 23 -17.490 -1.126 -4.805 1.00 0.00 C ATOM 319 C GLU A 23 -17.397 -2.524 -5.411 1.00 0.00 C ATOM 320 O GLU A 23 -16.703 -2.729 -6.406 1.00 0.00 O ATOM 321 CB GLU A 23 -17.838 -0.123 -5.912 1.00 0.00 C ATOM 322 CG GLU A 23 -17.946 1.301 -5.327 1.00 0.00 C ATOM 323 CD GLU A 23 -17.744 2.343 -6.432 1.00 0.00 C ATOM 324 OE1 GLU A 23 -16.603 2.691 -6.686 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.733 2.777 -6.999 1.00 0.00 O ATOM 0 H GLU A 23 -15.672 -0.086 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.264 -1.131 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.074 -0.148 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.780 -0.403 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.922 1.438 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.198 1.439 -4.546 1.00 0.00 H new ATOM 332 N ARG A 24 -18.102 -3.483 -4.814 1.00 0.00 N ATOM 333 CA ARG A 24 -18.084 -4.850 -5.327 1.00 0.00 C ATOM 334 C ARG A 24 -18.525 -4.877 -6.778 1.00 0.00 C ATOM 335 O ARG A 24 -19.156 -3.939 -7.265 1.00 0.00 O ATOM 336 CB ARG A 24 -19.015 -5.753 -4.508 1.00 0.00 C ATOM 337 CG ARG A 24 -18.566 -5.791 -3.036 1.00 0.00 C ATOM 338 CD ARG A 24 -19.182 -7.010 -2.310 1.00 0.00 C ATOM 339 NE ARG A 24 -18.173 -8.109 -2.268 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.444 -9.225 -1.648 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.626 -9.412 -1.127 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.533 -10.154 -1.548 1.00 0.00 N ATOM 0 H ARG A 24 -18.684 -3.342 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.062 -5.220 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.039 -5.385 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.011 -6.761 -4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.478 -5.841 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.868 -4.872 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.482 -6.735 -1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.081 -7.343 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.269 -7.988 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.338 -8.686 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.838 -10.284 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.609 -10.008 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.745 -11.026 -1.063 1.00 0.00 H new ATOM 356 N THR A 25 -18.199 -5.968 -7.466 1.00 0.00 N ATOM 357 CA THR A 25 -18.571 -6.134 -8.868 1.00 0.00 C ATOM 358 C THR A 25 -19.857 -6.948 -8.960 1.00 0.00 C ATOM 359 O THR A 25 -20.651 -6.776 -9.884 1.00 0.00 O ATOM 360 CB THR A 25 -17.458 -6.868 -9.636 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.239 -6.150 -9.494 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.826 -6.959 -11.117 1.00 0.00 C ATOM 0 H THR A 25 -17.677 -6.752 -7.074 1.00 0.00 H new ATOM 0 HA THR A 25 -18.719 -5.148 -9.308 1.00 0.00 H new ATOM 0 HB THR A 25 -17.342 -7.874 -9.233 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.527 -6.615 -9.980 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.035 -7.479 -11.657 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.762 -7.507 -11.226 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.944 -5.955 -11.525 1.00 0.00 H new ATOM 370 N ASN A 26 -20.060 -7.831 -7.979 1.00 0.00 N ATOM 371 CA ASN A 26 -21.260 -8.674 -7.924 1.00 0.00 C ATOM 372 C ASN A 26 -22.217 -8.118 -6.860 1.00 0.00 C ATOM 373 O ASN A 26 -23.341 -7.724 -7.165 1.00 0.00 O ATOM 374 CB ASN A 26 -20.848 -10.140 -7.599 1.00 0.00 C ATOM 375 CG ASN A 26 -21.436 -11.118 -8.631 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.366 -11.843 -8.338 1.00 0.00 O ATOM 377 ND2 ASN A 26 -20.926 -11.163 -9.832 1.00 0.00 N ATOM 0 H ASN A 26 -19.408 -7.982 -7.209 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.771 -8.669 -8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.761 -10.223 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.195 -10.407 -6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -21.308 -11.807 -10.525 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.145 -10.554 -10.078 1.00 0.00 H new ATOM 384 N GLY A 27 -21.762 -8.109 -5.611 1.00 0.00 N ATOM 385 CA GLY A 27 -22.578 -7.613 -4.509 1.00 0.00 C ATOM 386 C GLY A 27 -22.607 -6.092 -4.447 1.00 0.00 C ATOM 387 O GLY A 27 -22.685 -5.420 -5.475 1.00 0.00 O ATOM 0 H GLY A 27 -20.836 -8.438 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.595 -7.989 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.191 -8.005 -3.569 1.00 0.00 H new ATOM 391 N GLY A 28 -22.568 -5.553 -3.225 1.00 0.00 N ATOM 392 CA GLY A 28 -22.607 -4.104 -3.006 1.00 0.00 C ATOM 393 C GLY A 28 -21.252 -3.546 -2.614 1.00 0.00 C ATOM 394 O GLY A 28 -20.398 -3.311 -3.468 1.00 0.00 O ATOM 0 H GLY A 28 -22.509 -6.102 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.952 -3.610 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.332 -3.876 -2.224 1.00 0.00 H new ATOM 398 N TYR A 29 -21.059 -3.301 -1.313 1.00 0.00 N ATOM 399 CA TYR A 29 -19.800 -2.747 -0.805 1.00 0.00 C ATOM 400 C TYR A 29 -19.024 -3.807 -0.021 1.00 0.00 C ATOM 401 O TYR A 29 -19.609 -4.591 0.726 1.00 0.00 O ATOM 402 CB TYR A 29 -20.097 -1.570 0.129 1.00 0.00 C ATOM 403 CG TYR A 29 -20.836 -0.481 -0.623 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.173 0.243 -1.637 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.181 -0.174 -0.305 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.850 1.270 -2.330 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.856 0.851 -1.003 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.190 1.572 -2.016 1.00 0.00 C ATOM 409 OH TYR A 29 -22.827 2.616 -2.654 1.00 0.00 O ATOM 0 H TYR A 29 -21.759 -3.478 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.203 -2.416 -1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.695 -1.909 0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.166 -1.174 0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.147 0.011 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.691 -0.724 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.339 1.826 -3.103 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.883 1.083 -0.761 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.747 2.689 -2.323 1.00 0.00 H new ATOM 419 N ASN A 30 -17.699 -3.810 -0.184 1.00 0.00 N ATOM 420 CA ASN A 30 -16.828 -4.762 0.521 1.00 0.00 C ATOM 421 C ASN A 30 -15.621 -4.029 1.090 1.00 0.00 C ATOM 422 O ASN A 30 -14.925 -3.311 0.372 1.00 0.00 O ATOM 423 CB ASN A 30 -16.349 -5.857 -0.441 1.00 0.00 C ATOM 424 CG ASN A 30 -15.302 -6.743 0.240 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.632 -7.751 0.833 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.043 -6.405 0.176 1.00 0.00 N ATOM 0 H ASN A 30 -17.202 -3.164 -0.798 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.395 -5.221 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.195 -6.464 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.924 -5.403 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.335 -6.987 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.767 -5.559 -0.322 1.00 0.00 H new ATOM 433 N THR A 31 -15.375 -4.220 2.387 1.00 0.00 N ATOM 434 CA THR A 31 -14.243 -3.579 3.062 1.00 0.00 C ATOM 435 C THR A 31 -13.199 -4.616 3.451 1.00 0.00 C ATOM 436 O THR A 31 -13.247 -5.187 4.539 1.00 0.00 O ATOM 437 CB THR A 31 -14.712 -2.838 4.333 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.883 -2.092 4.033 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.613 -1.888 4.818 1.00 0.00 C ATOM 0 H THR A 31 -15.944 -4.813 2.992 1.00 0.00 H new ATOM 0 HA THR A 31 -13.805 -2.862 2.368 1.00 0.00 H new ATOM 0 HB THR A 31 -14.927 -3.565 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 31 -16.186 -1.621 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.951 -1.369 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.713 -2.459 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.392 -1.159 4.038 1.00 0.00 H new ATOM 447 N SER A 32 -12.246 -4.845 2.549 1.00 0.00 N ATOM 448 CA SER A 32 -11.167 -5.805 2.786 1.00 0.00 C ATOM 449 C SER A 32 -9.863 -5.056 3.002 1.00 0.00 C ATOM 450 O SER A 32 -9.832 -3.825 2.991 1.00 0.00 O ATOM 451 CB SER A 32 -11.030 -6.744 1.583 1.00 0.00 C ATOM 452 OG SER A 32 -12.053 -7.727 1.639 1.00 0.00 O ATOM 0 H SER A 32 -12.199 -4.377 1.644 1.00 0.00 H new ATOM 0 HA SER A 32 -11.399 -6.395 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.104 -6.178 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.050 -7.221 1.589 1.00 0.00 H new ATOM 0 HG SER A 32 -12.020 -8.280 0.830 1.00 0.00 H new ATOM 458 N SER A 33 -8.782 -5.805 3.189 1.00 0.00 N ATOM 459 CA SER A 33 -7.470 -5.202 3.400 1.00 0.00 C ATOM 460 C SER A 33 -6.389 -6.046 2.743 1.00 0.00 C ATOM 461 O SER A 33 -6.559 -7.250 2.555 1.00 0.00 O ATOM 462 CB SER A 33 -7.189 -5.071 4.897 1.00 0.00 C ATOM 463 OG SER A 33 -7.428 -6.321 5.530 1.00 0.00 O ATOM 0 H SER A 33 -8.787 -6.825 3.199 1.00 0.00 H new ATOM 0 HA SER A 33 -7.465 -4.210 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.157 -4.759 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.827 -4.302 5.333 1.00 0.00 H new ATOM 0 HG SER A 33 -7.247 -6.241 6.490 1.00 0.00 H new ATOM 469 N ILE A 34 -5.276 -5.404 2.387 1.00 0.00 N ATOM 470 CA ILE A 34 -4.162 -6.100 1.739 1.00 0.00 C ATOM 471 C ILE A 34 -2.838 -5.696 2.368 1.00 0.00 C ATOM 472 O ILE A 34 -2.575 -4.517 2.608 1.00 0.00 O ATOM 473 CB ILE A 34 -4.146 -5.805 0.216 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.980 -6.580 -0.491 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.079 -4.290 -0.038 1.00 0.00 C ATOM 476 CD1 ILE A 34 -1.705 -5.730 -0.667 1.00 0.00 C ATOM 0 H ILE A 34 -5.121 -4.407 2.535 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.301 -7.171 1.884 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.077 -6.166 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.738 -7.470 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.320 -6.921 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.069 -4.101 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.949 -3.808 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.171 -3.886 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.937 -6.324 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.933 -4.854 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.343 -5.411 0.310 1.00 0.00 H new ATOM 488 N ASP A 35 -2.008 -6.697 2.631 1.00 0.00 N ATOM 489 CA ASP A 35 -0.701 -6.471 3.227 1.00 0.00 C ATOM 490 C ASP A 35 0.270 -6.006 2.151 1.00 0.00 C ATOM 491 O ASP A 35 0.561 -6.742 1.208 1.00 0.00 O ATOM 492 CB ASP A 35 -0.202 -7.773 3.857 1.00 0.00 C ATOM 493 CG ASP A 35 1.011 -7.497 4.742 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.315 -6.335 4.958 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.615 -8.457 5.191 1.00 0.00 O ATOM 0 H ASP A 35 -2.219 -7.676 2.440 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.772 -5.704 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.997 -8.228 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.063 -8.486 3.076 1.00 0.00 H new ATOM 500 N LEU A 36 0.779 -4.789 2.295 1.00 0.00 N ATOM 501 CA LEU A 36 1.722 -4.255 1.323 1.00 0.00 C ATOM 502 C LEU A 36 3.090 -4.865 1.562 1.00 0.00 C ATOM 503 O LEU A 36 4.020 -4.649 0.791 1.00 0.00 O ATOM 504 CB LEU A 36 1.829 -2.730 1.467 1.00 0.00 C ATOM 505 CG LEU A 36 0.439 -2.067 1.412 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.537 -0.637 1.963 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.068 -2.019 -0.039 1.00 0.00 C ATOM 0 H LEU A 36 0.558 -4.160 3.067 1.00 0.00 H new ATOM 0 HA LEU A 36 1.369 -4.499 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.315 -2.484 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.458 -2.330 0.671 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.258 -2.650 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.445 -0.165 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.886 -0.668 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.240 -0.062 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.051 -1.549 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.627 -1.442 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.140 -3.033 -0.433 1.00 0.00 H new ATOM 519 N ASN A 37 3.199 -5.634 2.640 1.00 0.00 N ATOM 520 CA ASN A 37 4.461 -6.267 2.987 1.00 0.00 C ATOM 521 C ASN A 37 4.791 -7.420 2.055 1.00 0.00 C ATOM 522 O ASN A 37 5.937 -7.855 2.003 1.00 0.00 O ATOM 523 CB ASN A 37 4.430 -6.772 4.429 1.00 0.00 C ATOM 524 CG ASN A 37 5.759 -7.457 4.762 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.749 -6.746 5.223 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.896 -8.652 4.595 1.00 0.00 N flip ATOM 0 H ASN A 37 2.433 -5.832 3.283 1.00 0.00 H new ATOM 0 HA ASN A 37 5.238 -5.510 2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.256 -5.941 5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.605 -7.472 4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.121 -9.209 4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.786 -9.099 4.816 1.00 0.00 H new ATOM 533 N SER A 38 3.806 -7.944 1.331 1.00 0.00 N ATOM 534 CA SER A 38 4.060 -9.067 0.431 1.00 0.00 C ATOM 535 C SER A 38 4.436 -8.580 -0.965 1.00 0.00 C ATOM 536 O SER A 38 4.583 -9.387 -1.882 1.00 0.00 O ATOM 537 CB SER A 38 2.803 -9.936 0.339 1.00 0.00 C ATOM 538 OG SER A 38 2.597 -10.598 1.580 1.00 0.00 O ATOM 0 H SER A 38 2.840 -7.617 1.347 1.00 0.00 H new ATOM 0 HA SER A 38 4.893 -9.646 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.938 -9.319 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.910 -10.667 -0.463 1.00 0.00 H new ATOM 0 HG SER A 38 1.792 -11.154 1.525 1.00 0.00 H new ATOM 544 N VAL A 39 4.580 -7.263 -1.139 1.00 0.00 N ATOM 545 CA VAL A 39 4.926 -6.717 -2.458 1.00 0.00 C ATOM 546 C VAL A 39 5.740 -5.424 -2.343 1.00 0.00 C ATOM 547 O VAL A 39 5.913 -4.705 -3.324 1.00 0.00 O ATOM 548 CB VAL A 39 3.648 -6.460 -3.288 1.00 0.00 C ATOM 549 CG1 VAL A 39 3.031 -7.801 -3.705 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.629 -5.688 -2.443 1.00 0.00 C ATOM 0 H VAL A 39 4.466 -6.567 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 39 5.543 -7.459 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 39 3.908 -5.879 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.129 -7.620 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.748 -8.360 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.776 -8.377 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.729 -5.509 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.373 -6.271 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.058 -4.734 -2.137 1.00 0.00 H new ATOM 560 N ILE A 40 6.258 -5.152 -1.144 1.00 0.00 N ATOM 561 CA ILE A 40 7.087 -3.952 -0.910 1.00 0.00 C ATOM 562 C ILE A 40 8.319 -4.310 -0.066 1.00 0.00 C ATOM 563 O ILE A 40 8.210 -5.013 0.931 1.00 0.00 O ATOM 564 CB ILE A 40 6.282 -2.827 -0.198 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.123 -2.322 -1.096 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.207 -1.662 0.177 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.599 -1.320 -2.163 1.00 0.00 C ATOM 0 H ILE A 40 6.124 -5.738 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 40 7.404 -3.582 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 40 5.853 -3.243 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.650 -3.173 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.363 -1.851 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.628 -0.883 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.988 -2.019 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.663 -1.255 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.749 -0.998 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.047 -0.454 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.338 -1.797 -2.806 1.00 0.00 H new ATOM 579 N ALA A 41 9.495 -3.812 -0.483 1.00 0.00 N ATOM 580 CA ALA A 41 10.765 -4.073 0.230 1.00 0.00 C ATOM 581 C ALA A 41 11.472 -2.759 0.581 1.00 0.00 C ATOM 582 O ALA A 41 11.313 -1.752 -0.108 1.00 0.00 O ATOM 583 CB ALA A 41 11.686 -4.921 -0.646 1.00 0.00 C ATOM 0 H ALA A 41 9.597 -3.225 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 41 10.535 -4.607 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.620 -5.110 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.200 -5.869 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.897 -4.389 -1.574 1.00 0.00 H new ATOM 589 N ALA A 42 12.258 -2.783 1.664 1.00 0.00 N ATOM 590 CA ALA A 42 13.007 -1.597 2.112 1.00 0.00 C ATOM 591 C ALA A 42 14.500 -1.779 1.852 1.00 0.00 C ATOM 592 O ALA A 42 15.139 -2.644 2.452 1.00 0.00 O ATOM 593 CB ALA A 42 12.793 -1.369 3.603 1.00 0.00 C ATOM 0 H ALA A 42 12.394 -3.609 2.248 1.00 0.00 H new ATOM 0 HA ALA A 42 12.642 -0.736 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.353 -0.489 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.732 -1.214 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.141 -2.240 4.158 1.00 0.00 H new ATOM 599 N VAL A 43 15.053 -0.961 0.953 1.00 0.00 N ATOM 600 CA VAL A 43 16.481 -1.034 0.613 1.00 0.00 C ATOM 601 C VAL A 43 17.137 0.337 0.739 1.00 0.00 C ATOM 602 O VAL A 43 16.983 1.197 -0.129 1.00 0.00 O ATOM 603 CB VAL A 43 16.675 -1.536 -0.829 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.171 -1.603 -1.157 1.00 0.00 C ATOM 605 CG2 VAL A 43 16.061 -2.932 -0.962 1.00 0.00 C ATOM 0 H VAL A 43 14.537 -0.241 0.447 1.00 0.00 H new ATOM 0 HA VAL A 43 16.946 -1.731 1.310 1.00 0.00 H new ATOM 0 HB VAL A 43 16.186 -0.851 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.304 -1.959 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.610 -0.610 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.664 -2.288 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.195 -3.293 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.553 -3.614 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.997 -2.885 -0.731 1.00 0.00 H new ATOM 615 N ASP A 44 17.873 0.529 1.826 1.00 0.00 N ATOM 616 CA ASP A 44 18.562 1.790 2.065 1.00 0.00 C ATOM 617 C ASP A 44 17.557 2.926 2.255 1.00 0.00 C ATOM 618 O ASP A 44 17.831 4.076 1.911 1.00 0.00 O ATOM 619 CB ASP A 44 19.515 2.101 0.894 1.00 0.00 C ATOM 620 CG ASP A 44 20.693 2.960 1.378 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.480 3.787 2.249 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.786 2.766 0.873 1.00 0.00 O ATOM 0 H ASP A 44 18.008 -0.171 2.555 1.00 0.00 H new ATOM 0 HA ASP A 44 19.148 1.699 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.887 1.172 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.974 2.625 0.106 1.00 0.00 H new ATOM 627 N GLY A 45 16.400 2.596 2.818 1.00 0.00 N ATOM 628 CA GLY A 45 15.371 3.589 3.065 1.00 0.00 C ATOM 629 C GLY A 45 14.603 3.943 1.809 1.00 0.00 C ATOM 630 O GLY A 45 14.263 5.104 1.587 1.00 0.00 O ATOM 0 H GLY A 45 16.155 1.650 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.679 3.212 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.829 4.489 3.475 1.00 0.00 H new ATOM 634 N SER A 46 14.327 2.939 0.977 1.00 0.00 N ATOM 635 CA SER A 46 13.596 3.157 -0.276 1.00 0.00 C ATOM 636 C SER A 46 12.549 2.065 -0.487 1.00 0.00 C ATOM 637 O SER A 46 12.879 0.880 -0.533 1.00 0.00 O ATOM 638 CB SER A 46 14.586 3.159 -1.445 1.00 0.00 C ATOM 639 OG SER A 46 13.989 3.792 -2.568 1.00 0.00 O ATOM 0 H SER A 46 14.596 1.970 1.145 1.00 0.00 H new ATOM 0 HA SER A 46 13.084 4.118 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.499 3.682 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.869 2.137 -1.698 1.00 0.00 H new ATOM 0 HG SER A 46 14.622 3.796 -3.316 1.00 0.00 H new ATOM 645 N LEU A 47 11.283 2.469 -0.614 1.00 0.00 N ATOM 646 CA LEU A 47 10.192 1.517 -0.824 1.00 0.00 C ATOM 647 C LEU A 47 9.937 1.315 -2.311 1.00 0.00 C ATOM 648 O LEU A 47 9.671 2.268 -3.043 1.00 0.00 O ATOM 649 CB LEU A 47 8.908 2.040 -0.169 1.00 0.00 C ATOM 650 CG LEU A 47 9.106 2.200 1.346 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.818 2.768 1.955 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.433 0.834 1.992 1.00 0.00 C ATOM 0 H LEU A 47 10.990 3.445 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 47 10.479 0.566 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.632 2.998 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.086 1.351 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 47 9.938 2.878 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.946 2.886 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.600 3.737 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.991 2.084 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.571 0.963 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.612 0.141 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.348 0.434 1.554 1.00 0.00 H new ATOM 664 N LYS A 48 10.010 0.059 -2.749 1.00 0.00 N ATOM 665 CA LYS A 48 9.779 -0.291 -4.153 1.00 0.00 C ATOM 666 C LYS A 48 8.896 -1.537 -4.217 1.00 0.00 C ATOM 667 O LYS A 48 8.710 -2.217 -3.215 1.00 0.00 O ATOM 668 CB LYS A 48 11.127 -0.521 -4.903 1.00 0.00 C ATOM 669 CG LYS A 48 12.284 -0.795 -3.917 1.00 0.00 C ATOM 670 CD LYS A 48 12.133 -2.189 -3.258 1.00 0.00 C ATOM 671 CE LYS A 48 12.802 -3.265 -4.130 1.00 0.00 C ATOM 672 NZ LYS A 48 14.278 -3.195 -3.945 1.00 0.00 N ATOM 0 H LYS A 48 10.228 -0.737 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 48 9.272 0.536 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.024 -1.363 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.362 0.355 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.237 -0.739 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.300 -0.024 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.585 -2.181 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.077 -2.424 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.435 -4.254 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.547 -3.111 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.750 -3.353 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.538 -2.257 -3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.578 -3.926 -3.269 1.00 0.00 H new ATOM 686 N TRP A 49 8.343 -1.816 -5.393 1.00 0.00 N ATOM 687 CA TRP A 49 7.459 -2.969 -5.566 1.00 0.00 C ATOM 688 C TRP A 49 8.237 -4.281 -5.651 1.00 0.00 C ATOM 689 O TRP A 49 9.424 -4.330 -5.336 1.00 0.00 O ATOM 690 CB TRP A 49 6.623 -2.777 -6.834 1.00 0.00 C ATOM 691 CG TRP A 49 5.657 -1.663 -6.612 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.718 -0.446 -7.200 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.495 -1.645 -5.740 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.664 0.323 -6.741 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.880 -0.371 -5.845 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.912 -2.605 -4.872 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.730 -0.053 -5.119 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.746 -2.287 -4.136 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.156 -1.011 -4.260 1.00 0.00 C ATOM 0 H TRP A 49 8.489 -1.264 -6.238 1.00 0.00 H new ATOM 0 HA TRP A 49 6.811 -3.031 -4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.270 -2.551 -7.682 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.089 -3.696 -7.076 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.466 -0.128 -7.911 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.489 1.285 -7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.360 -3.583 -4.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.282 0.925 -5.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.307 -3.022 -3.478 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.266 -0.769 -3.698 1.00 0.00 H new ATOM 710 N GLN A 50 7.534 -5.342 -6.067 1.00 0.00 N ATOM 711 CA GLN A 50 8.115 -6.682 -6.198 1.00 0.00 C ATOM 712 C GLN A 50 9.092 -6.987 -5.070 1.00 0.00 C ATOM 713 O GLN A 50 10.211 -7.439 -5.310 1.00 0.00 O ATOM 714 CB GLN A 50 8.818 -6.841 -7.556 1.00 0.00 C ATOM 715 CG GLN A 50 9.914 -5.777 -7.738 1.00 0.00 C ATOM 716 CD GLN A 50 10.816 -6.170 -8.910 1.00 0.00 C ATOM 717 OE1 GLN A 50 10.341 -6.591 -9.944 1.00 0.00 O ATOM 718 NE2 GLN A 50 12.110 -6.055 -8.784 1.00 0.00 N ATOM 0 H GLN A 50 6.547 -5.295 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 50 7.293 -7.396 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.257 -7.836 -7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.087 -6.756 -8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.463 -4.802 -7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.504 -5.687 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.508 -5.701 -7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.723 -6.319 -9.555 1.00 0.00 H new ATOM 727 N GLY A 51 8.668 -6.748 -3.834 1.00 0.00 N ATOM 728 CA GLY A 51 9.527 -7.003 -2.692 1.00 0.00 C ATOM 729 C GLY A 51 8.749 -7.288 -1.423 1.00 0.00 C ATOM 730 O GLY A 51 7.520 -7.233 -1.405 1.00 0.00 O ATOM 0 H GLY A 51 7.745 -6.382 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.175 -7.851 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.174 -6.141 -2.530 1.00 0.00 H new ATOM 734 N SER A 52 9.481 -7.604 -0.355 1.00 0.00 N ATOM 735 CA SER A 52 8.869 -7.911 0.936 1.00 0.00 C ATOM 736 C SER A 52 9.845 -7.599 2.068 1.00 0.00 C ATOM 737 O SER A 52 10.999 -7.252 1.816 1.00 0.00 O ATOM 738 CB SER A 52 8.471 -9.390 0.978 1.00 0.00 C ATOM 739 OG SER A 52 9.538 -10.176 0.465 1.00 0.00 O ATOM 0 H SER A 52 10.500 -7.654 -0.359 1.00 0.00 H new ATOM 0 HA SER A 52 7.978 -7.296 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.243 -9.689 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.568 -9.553 0.390 1.00 0.00 H new ATOM 0 HG SER A 52 9.289 -11.123 0.492 1.00 0.00 H new ATOM 745 N ASN A 53 9.366 -7.694 3.312 1.00 0.00 N ATOM 746 CA ASN A 53 10.191 -7.400 4.487 1.00 0.00 C ATOM 747 C ASN A 53 10.619 -5.929 4.488 1.00 0.00 C ATOM 748 O ASN A 53 11.809 -5.619 4.532 1.00 0.00 O ATOM 749 CB ASN A 53 11.432 -8.334 4.553 1.00 0.00 C ATOM 750 CG ASN A 53 11.066 -9.661 5.233 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.389 -10.489 4.658 1.00 0.00 O ATOM 752 ND2 ASN A 53 11.495 -9.895 6.444 1.00 0.00 N ATOM 0 H ASN A 53 8.410 -7.973 3.531 1.00 0.00 H new ATOM 0 HA ASN A 53 9.588 -7.586 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.806 -8.524 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.235 -7.845 5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.261 -10.773 6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.064 -9.199 6.927 1.00 0.00 H new ATOM 759 N PHE A 54 9.630 -5.023 4.477 1.00 0.00 N ATOM 760 CA PHE A 54 9.898 -3.576 4.512 1.00 0.00 C ATOM 761 C PHE A 54 9.386 -3.004 5.825 1.00 0.00 C ATOM 762 O PHE A 54 9.965 -2.077 6.384 1.00 0.00 O ATOM 763 CB PHE A 54 9.223 -2.865 3.308 1.00 0.00 C ATOM 764 CG PHE A 54 7.814 -2.401 3.630 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.609 -1.213 4.358 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.713 -3.148 3.185 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.299 -0.773 4.642 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.399 -2.709 3.459 1.00 0.00 C ATOM 769 CZ PHE A 54 5.192 -1.521 4.192 1.00 0.00 C ATOM 0 H PHE A 54 8.640 -5.265 4.444 1.00 0.00 H new ATOM 0 HA PHE A 54 10.973 -3.408 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.826 -2.008 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.194 -3.545 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.457 -0.637 4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.871 -4.062 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.144 0.136 5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.553 -3.282 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.188 -1.186 4.408 1.00 0.00 H new ATOM 779 N ILE A 55 8.297 -3.582 6.311 1.00 0.00 N ATOM 780 CA ILE A 55 7.708 -3.134 7.560 1.00 0.00 C ATOM 781 C ILE A 55 8.692 -3.347 8.700 1.00 0.00 C ATOM 782 O ILE A 55 8.796 -2.519 9.605 1.00 0.00 O ATOM 783 CB ILE A 55 6.403 -3.902 7.865 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.727 -3.332 9.130 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.717 -5.386 8.086 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.343 -1.850 8.925 1.00 0.00 C ATOM 0 H ILE A 55 7.808 -4.356 5.862 1.00 0.00 H new ATOM 0 HA ILE A 55 7.475 -2.074 7.463 1.00 0.00 H new ATOM 0 HB ILE A 55 5.727 -3.790 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.836 -3.914 9.366 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.402 -3.423 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.794 -5.925 8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.177 -5.798 7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.403 -5.492 8.926 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.868 -1.469 9.829 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.240 -1.268 8.713 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.650 -1.766 8.088 1.00 0.00 H new ATOM 798 N GLU A 56 9.416 -4.460 8.652 1.00 0.00 N ATOM 799 CA GLU A 56 10.388 -4.757 9.693 1.00 0.00 C ATOM 800 C GLU A 56 11.393 -3.620 9.814 1.00 0.00 C ATOM 801 O GLU A 56 11.894 -3.341 10.903 1.00 0.00 O ATOM 802 CB GLU A 56 11.128 -6.068 9.386 1.00 0.00 C ATOM 803 CG GLU A 56 10.151 -7.270 9.436 1.00 0.00 C ATOM 804 CD GLU A 56 10.906 -8.548 9.824 1.00 0.00 C ATOM 805 OE1 GLU A 56 12.009 -8.734 9.336 1.00 0.00 O ATOM 806 OE2 GLU A 56 10.369 -9.312 10.609 1.00 0.00 O ATOM 0 H GLU A 56 9.349 -5.161 7.914 1.00 0.00 H new ATOM 0 HA GLU A 56 9.853 -4.867 10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.590 -6.009 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.932 -6.216 10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.358 -7.074 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.674 -7.401 8.465 1.00 0.00 H new ATOM 813 N ALA A 57 11.693 -2.969 8.687 1.00 0.00 N ATOM 814 CA ALA A 57 12.652 -1.858 8.668 1.00 0.00 C ATOM 815 C ALA A 57 11.937 -0.529 8.440 1.00 0.00 C ATOM 816 O ALA A 57 12.566 0.459 8.059 1.00 0.00 O ATOM 817 CB ALA A 57 13.668 -2.085 7.559 1.00 0.00 C ATOM 0 H ALA A 57 11.288 -3.190 7.778 1.00 0.00 H new ATOM 0 HA ALA A 57 13.158 -1.819 9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.381 -1.260 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.199 -3.020 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.154 -2.137 6.599 1.00 0.00 H new ATOM 823 N CYS A 58 10.620 -0.502 8.669 1.00 0.00 N ATOM 824 CA CYS A 58 9.839 0.725 8.476 1.00 0.00 C ATOM 825 C CYS A 58 8.701 0.823 9.486 1.00 0.00 C ATOM 826 O CYS A 58 8.198 -0.190 9.971 1.00 0.00 O ATOM 827 CB CYS A 58 9.260 0.761 7.064 1.00 0.00 C ATOM 828 SG CYS A 58 10.585 0.509 5.860 1.00 0.00 S ATOM 0 H CYS A 58 10.077 -1.306 8.985 1.00 0.00 H new ATOM 0 HA CYS A 58 10.510 1.571 8.624 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.500 -0.013 6.952 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.769 1.718 6.885 1.00 0.00 H new ATOM 833 N ARG A 59 8.291 2.059 9.788 1.00 0.00 N ATOM 834 CA ARG A 59 7.197 2.296 10.732 1.00 0.00 C ATOM 835 C ARG A 59 6.498 3.619 10.424 1.00 0.00 C ATOM 836 O ARG A 59 6.882 4.336 9.499 1.00 0.00 O ATOM 837 CB ARG A 59 7.719 2.310 12.180 1.00 0.00 C ATOM 838 CG ARG A 59 8.807 3.403 12.385 1.00 0.00 C ATOM 839 CD ARG A 59 10.209 2.830 12.141 1.00 0.00 C ATOM 840 NE ARG A 59 11.229 3.879 12.434 1.00 0.00 N ATOM 841 CZ ARG A 59 11.432 4.273 13.664 1.00 0.00 C ATOM 842 NH1 ARG A 59 10.841 3.661 14.655 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.229 5.279 13.903 1.00 0.00 N ATOM 0 H ARG A 59 8.699 2.907 9.394 1.00 0.00 H new ATOM 0 HA ARG A 59 6.480 1.482 10.624 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.890 2.488 12.865 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.133 1.333 12.428 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.626 4.235 11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.743 3.800 13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.374 1.959 12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.302 2.494 11.108 1.00 0.00 H new ATOM 0 HE ARG A 59 11.769 4.290 11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.219 2.874 14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.001 3.970 15.614 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.693 5.757 13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.388 5.587 14.862 1.00 0.00 H new ATOM 857 N ASN A 60 5.474 3.937 11.211 1.00 0.00 N ATOM 858 CA ASN A 60 4.729 5.177 11.017 1.00 0.00 C ATOM 859 C ASN A 60 4.272 5.298 9.570 1.00 0.00 C ATOM 860 O ASN A 60 4.592 6.273 8.891 1.00 0.00 O ATOM 861 CB ASN A 60 5.608 6.382 11.374 1.00 0.00 C ATOM 862 CG ASN A 60 5.803 6.449 12.889 1.00 0.00 C ATOM 863 OD1 ASN A 60 4.897 6.810 13.613 1.00 0.00 O ATOM 864 ND2 ASN A 60 6.957 6.120 13.400 1.00 0.00 N ATOM 0 H ASN A 60 5.143 3.358 11.983 1.00 0.00 H new ATOM 0 HA ASN A 60 3.856 5.160 11.669 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.574 6.299 10.877 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.144 7.301 11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.100 6.166 14.409 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.717 5.817 12.791 1.00 0.00 H new ATOM 871 N THR A 61 3.512 4.310 9.101 1.00 0.00 N ATOM 872 CA THR A 61 3.008 4.324 7.730 1.00 0.00 C ATOM 873 C THR A 61 1.588 4.872 7.704 1.00 0.00 C ATOM 874 O THR A 61 0.814 4.654 8.636 1.00 0.00 O ATOM 875 CB THR A 61 3.024 2.900 7.133 1.00 0.00 C ATOM 876 OG1 THR A 61 1.893 2.179 7.604 1.00 0.00 O ATOM 877 CG2 THR A 61 4.312 2.163 7.551 1.00 0.00 C ATOM 0 H THR A 61 3.233 3.495 9.647 1.00 0.00 H new ATOM 0 HA THR A 61 3.655 4.965 7.131 1.00 0.00 H new ATOM 0 HB THR A 61 2.992 2.969 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.619 1.524 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.312 1.160 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.180 2.712 7.187 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.356 2.095 8.638 1.00 0.00 H new ATOM 885 N GLN A 62 1.257 5.610 6.646 1.00 0.00 N ATOM 886 CA GLN A 62 -0.071 6.216 6.535 1.00 0.00 C ATOM 887 C GLN A 62 -0.437 6.507 5.080 1.00 0.00 C ATOM 888 O GLN A 62 0.382 6.348 4.174 1.00 0.00 O ATOM 889 CB GLN A 62 -0.095 7.520 7.345 1.00 0.00 C ATOM 890 CG GLN A 62 1.015 8.485 6.855 1.00 0.00 C ATOM 891 CD GLN A 62 1.458 9.407 7.999 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.827 9.454 9.037 1.00 0.00 O ATOM 893 NE2 GLN A 62 2.528 10.139 7.853 1.00 0.00 N ATOM 0 H GLN A 62 1.880 5.802 5.862 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.805 5.512 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.070 7.998 7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.047 7.300 8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.868 7.914 6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.647 9.081 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.058 10.100 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.835 10.750 8.610 1.00 0.00 H new ATOM 902 N LEU A 63 -1.685 6.935 4.872 1.00 0.00 N ATOM 903 CA LEU A 63 -2.187 7.257 3.532 1.00 0.00 C ATOM 904 C LEU A 63 -1.877 8.708 3.184 1.00 0.00 C ATOM 905 O LEU A 63 -2.152 9.611 3.973 1.00 0.00 O ATOM 906 CB LEU A 63 -3.710 7.053 3.495 1.00 0.00 C ATOM 907 CG LEU A 63 -4.247 7.148 2.046 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.031 5.823 1.295 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.749 7.464 2.080 1.00 0.00 C ATOM 0 H LEU A 63 -2.369 7.067 5.617 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.701 6.602 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.961 6.079 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.196 7.804 4.117 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.705 7.939 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.416 5.914 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.966 5.594 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.558 5.021 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.130 7.531 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.276 6.672 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.910 8.413 2.591 1.00 0.00 H new ATOM 921 N ALA A 64 -1.304 8.929 1.999 1.00 0.00 N ATOM 922 CA ALA A 64 -0.957 10.283 1.549 1.00 0.00 C ATOM 923 C ALA A 64 -1.607 10.595 0.197 1.00 0.00 C ATOM 924 O ALA A 64 -1.540 9.801 -0.737 1.00 0.00 O ATOM 925 CB ALA A 64 0.562 10.401 1.445 1.00 0.00 C ATOM 0 H ALA A 64 -1.070 8.192 1.334 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.333 11.005 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.827 11.404 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.009 10.213 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.936 9.670 0.728 1.00 0.00 H new ATOM 931 N GLY A 65 -2.218 11.775 0.108 1.00 0.00 N ATOM 932 CA GLY A 65 -2.853 12.221 -1.123 1.00 0.00 C ATOM 933 C GLY A 65 -4.154 11.504 -1.451 1.00 0.00 C ATOM 934 O GLY A 65 -5.187 12.143 -1.624 1.00 0.00 O ATOM 0 H GLY A 65 -2.285 12.439 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.050 13.291 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.156 12.081 -1.949 1.00 0.00 H new ATOM 938 N SER A 66 -4.094 10.180 -1.524 1.00 0.00 N ATOM 939 CA SER A 66 -5.282 9.380 -1.837 1.00 0.00 C ATOM 940 C SER A 66 -4.918 7.908 -2.006 1.00 0.00 C ATOM 941 O SER A 66 -5.573 7.028 -1.448 1.00 0.00 O ATOM 942 CB SER A 66 -5.937 9.900 -3.132 1.00 0.00 C ATOM 943 OG SER A 66 -6.802 10.985 -2.827 1.00 0.00 O ATOM 0 H SER A 66 -3.244 9.636 -1.373 1.00 0.00 H new ATOM 0 HA SER A 66 -5.984 9.472 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.169 10.221 -3.836 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.498 9.099 -3.615 1.00 0.00 H new ATOM 0 HG SER A 66 -6.286 11.709 -2.416 1.00 0.00 H new ATOM 949 N SER A 67 -3.878 7.648 -2.795 1.00 0.00 N ATOM 950 CA SER A 67 -3.434 6.278 -3.052 1.00 0.00 C ATOM 951 C SER A 67 -1.919 6.186 -2.993 1.00 0.00 C ATOM 952 O SER A 67 -1.301 5.498 -3.803 1.00 0.00 O ATOM 953 CB SER A 67 -3.929 5.818 -4.427 1.00 0.00 C ATOM 954 OG SER A 67 -3.773 6.878 -5.362 1.00 0.00 O ATOM 0 H SER A 67 -3.327 8.365 -3.267 1.00 0.00 H new ATOM 0 HA SER A 67 -3.852 5.629 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.367 4.943 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.976 5.521 -4.368 1.00 0.00 H new ATOM 0 HG SER A 67 -2.837 6.927 -5.648 1.00 0.00 H new ATOM 960 N GLU A 68 -1.322 6.858 -2.012 1.00 0.00 N ATOM 961 CA GLU A 68 0.129 6.815 -1.828 1.00 0.00 C ATOM 962 C GLU A 68 0.431 6.283 -0.443 1.00 0.00 C ATOM 963 O GLU A 68 -0.420 6.317 0.445 1.00 0.00 O ATOM 964 CB GLU A 68 0.765 8.195 -2.049 1.00 0.00 C ATOM 965 CG GLU A 68 0.242 8.810 -3.371 1.00 0.00 C ATOM 966 CD GLU A 68 1.269 9.797 -3.942 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.371 9.365 -4.243 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.935 10.963 -4.073 1.00 0.00 O ATOM 0 H GLU A 68 -1.817 7.437 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 68 0.565 6.149 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.528 8.853 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.851 8.103 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.046 8.019 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.704 9.321 -3.193 1.00 0.00 H new ATOM 975 N LEU A 69 1.640 5.758 -0.280 1.00 0.00 N ATOM 976 CA LEU A 69 2.066 5.164 0.988 1.00 0.00 C ATOM 977 C LEU A 69 3.266 5.901 1.541 1.00 0.00 C ATOM 978 O LEU A 69 4.392 5.672 1.109 1.00 0.00 O ATOM 979 CB LEU A 69 2.423 3.688 0.723 1.00 0.00 C ATOM 980 CG LEU A 69 2.923 2.927 1.983 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.408 3.240 2.305 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.037 3.248 3.193 1.00 0.00 C ATOM 0 H LEU A 69 2.349 5.730 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 69 1.264 5.235 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.546 3.177 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.193 3.643 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 69 2.855 1.862 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.712 2.686 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.033 2.946 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.523 4.308 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.402 2.706 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.067 4.319 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.011 2.947 2.983 1.00 0.00 H new ATOM 994 N ALA A 70 3.030 6.770 2.519 1.00 0.00 N ATOM 995 CA ALA A 70 4.112 7.515 3.155 1.00 0.00 C ATOM 996 C ALA A 70 4.559 6.758 4.395 1.00 0.00 C ATOM 997 O ALA A 70 3.729 6.302 5.180 1.00 0.00 O ATOM 998 CB ALA A 70 3.631 8.905 3.538 1.00 0.00 C ATOM 0 H ALA A 70 2.102 6.976 2.888 1.00 0.00 H new ATOM 0 HA ALA A 70 4.948 7.618 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.445 9.454 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.307 9.437 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.796 8.822 4.234 1.00 0.00 H new ATOM 1004 N ALA A 71 5.864 6.611 4.566 1.00 0.00 N ATOM 1005 CA ALA A 71 6.390 5.887 5.715 1.00 0.00 C ATOM 1006 C ALA A 71 7.869 6.176 5.890 1.00 0.00 C ATOM 1007 O ALA A 71 8.529 6.658 4.971 1.00 0.00 O ATOM 1008 CB ALA A 71 6.193 4.393 5.508 1.00 0.00 C ATOM 0 H ALA A 71 6.573 6.979 3.931 1.00 0.00 H new ATOM 0 HA ALA A 71 5.856 6.212 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.587 3.851 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.130 4.178 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.721 4.078 4.608 1.00 0.00 H new ATOM 1014 N GLU A 72 8.391 5.861 7.075 1.00 0.00 N ATOM 1015 CA GLU A 72 9.807 6.071 7.369 1.00 0.00 C ATOM 1016 C GLU A 72 10.538 4.729 7.353 1.00 0.00 C ATOM 1017 O GLU A 72 10.138 3.802 8.048 1.00 0.00 O ATOM 1018 CB GLU A 72 9.966 6.746 8.747 1.00 0.00 C ATOM 1019 CG GLU A 72 9.709 8.264 8.649 1.00 0.00 C ATOM 1020 CD GLU A 72 10.270 8.967 9.891 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.426 8.734 10.208 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.537 9.730 10.500 1.00 0.00 O ATOM 0 H GLU A 72 7.855 5.460 7.845 1.00 0.00 H new ATOM 0 HA GLU A 72 10.239 6.722 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.270 6.300 9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.971 6.567 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.178 8.664 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.640 8.456 8.563 1.00 0.00 H new ATOM 1029 N CYS A 73 11.605 4.630 6.544 1.00 0.00 N ATOM 1030 CA CYS A 73 12.384 3.382 6.429 1.00 0.00 C ATOM 1031 C CYS A 73 13.857 3.601 6.765 1.00 0.00 C ATOM 1032 O CYS A 73 14.434 4.642 6.455 1.00 0.00 O ATOM 1033 CB CYS A 73 12.262 2.834 5.013 1.00 0.00 C ATOM 1034 SG CYS A 73 10.592 2.207 4.774 1.00 0.00 S ATOM 0 H CYS A 73 11.948 5.394 5.962 1.00 0.00 H new ATOM 0 HA CYS A 73 11.979 2.668 7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.479 3.616 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 73 12.990 2.039 4.852 1.00 0.00 H new ATOM 1039 N LYS A 74 14.440 2.598 7.416 1.00 0.00 N ATOM 1040 CA LYS A 74 15.839 2.643 7.842 1.00 0.00 C ATOM 1041 C LYS A 74 16.814 2.495 6.667 1.00 0.00 C ATOM 1042 O LYS A 74 16.659 1.625 5.811 1.00 0.00 O ATOM 1043 CB LYS A 74 16.084 1.515 8.885 1.00 0.00 C ATOM 1044 CG LYS A 74 16.599 2.089 10.213 1.00 0.00 C ATOM 1045 CD LYS A 74 16.670 0.961 11.248 1.00 0.00 C ATOM 1046 CE LYS A 74 17.045 1.515 12.631 1.00 0.00 C ATOM 1047 NZ LYS A 74 16.538 0.583 13.675 1.00 0.00 N ATOM 0 H LYS A 74 13.959 1.733 7.663 1.00 0.00 H new ATOM 0 HA LYS A 74 16.026 3.621 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.157 0.968 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.807 0.801 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.584 2.535 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.937 2.881 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.708 0.451 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.406 0.220 10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.127 1.622 12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.615 2.507 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.786 0.948 14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.504 0.503 13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.969 -0.354 13.543 1.00 0.00 H new ATOM 1061 N THR A 75 17.815 3.370 6.656 1.00 0.00 N ATOM 1062 CA THR A 75 18.835 3.363 5.610 1.00 0.00 C ATOM 1063 C THR A 75 19.915 2.327 5.913 1.00 0.00 C ATOM 1064 O THR A 75 19.973 1.775 7.012 1.00 0.00 O ATOM 1065 CB THR A 75 19.499 4.745 5.466 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.922 5.196 6.742 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.495 5.736 4.875 1.00 0.00 C ATOM 0 H THR A 75 17.943 4.095 7.362 1.00 0.00 H new ATOM 0 HA THR A 75 18.334 3.108 4.676 1.00 0.00 H new ATOM 0 HB THR A 75 20.361 4.670 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.796 5.631 6.662 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.966 6.714 4.773 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.172 5.385 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.631 5.816 5.535 1.00 0.00 H new ATOM 1075 N ALA A 76 20.766 2.066 4.926 1.00 0.00 N ATOM 1076 CA ALA A 76 21.840 1.094 5.088 1.00 0.00 C ATOM 1077 C ALA A 76 22.726 1.466 6.271 1.00 0.00 C ATOM 1078 O ALA A 76 23.400 0.613 6.848 1.00 0.00 O ATOM 1079 CB ALA A 76 22.674 1.037 3.818 1.00 0.00 C ATOM 0 H ALA A 76 20.733 2.512 4.009 1.00 0.00 H new ATOM 0 HA ALA A 76 21.400 0.115 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.476 0.310 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.042 0.741 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.103 2.019 3.620 1.00 0.00 H new ATOM 1085 N ALA A 77 22.724 2.750 6.624 1.00 0.00 N ATOM 1086 CA ALA A 77 23.535 3.241 7.738 1.00 0.00 C ATOM 1087 C ALA A 77 22.772 3.147 9.054 1.00 0.00 C ATOM 1088 O ALA A 77 23.364 3.264 10.128 1.00 0.00 O ATOM 1089 CB ALA A 77 23.928 4.687 7.482 1.00 0.00 C ATOM 0 H ALA A 77 22.171 3.468 6.156 1.00 0.00 H new ATOM 0 HA ALA A 77 24.428 2.620 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.532 5.052 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.504 4.749 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.030 5.298 7.391 1.00 0.00 H new ATOM 1095 N GLY A 78 21.458 2.925 8.979 1.00 0.00 N ATOM 1096 CA GLY A 78 20.636 2.813 10.178 1.00 0.00 C ATOM 1097 C GLY A 78 19.925 4.114 10.514 1.00 0.00 C ATOM 1098 O GLY A 78 19.776 4.457 11.687 1.00 0.00 O ATOM 0 H GLY A 78 20.946 2.820 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.897 2.024 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.263 2.516 11.019 1.00 0.00 H new ATOM 1102 N GLN A 79 19.464 4.835 9.482 1.00 0.00 N ATOM 1103 CA GLN A 79 18.741 6.105 9.682 1.00 0.00 C ATOM 1104 C GLN A 79 17.392 6.055 8.969 1.00 0.00 C ATOM 1105 O GLN A 79 17.296 5.657 7.811 1.00 0.00 O ATOM 1106 CB GLN A 79 19.566 7.301 9.143 1.00 0.00 C ATOM 1107 CG GLN A 79 20.564 7.809 10.201 1.00 0.00 C ATOM 1108 CD GLN A 79 21.088 9.187 9.787 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.318 10.071 9.463 1.00 0.00 O ATOM 1110 NE2 GLN A 79 22.372 9.411 9.787 1.00 0.00 N ATOM 0 H GLN A 79 19.577 4.565 8.505 1.00 0.00 H new ATOM 0 HA GLN A 79 18.585 6.242 10.752 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.105 6.999 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.894 8.109 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.078 7.870 11.175 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.393 7.108 10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.019 8.671 10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.730 10.327 9.516 1.00 0.00 H new ATOM 1119 N PHE A 80 16.359 6.477 9.682 1.00 0.00 N ATOM 1120 CA PHE A 80 15.009 6.495 9.137 1.00 0.00 C ATOM 1121 C PHE A 80 14.801 7.731 8.254 1.00 0.00 C ATOM 1122 O PHE A 80 14.831 8.861 8.737 1.00 0.00 O ATOM 1123 CB PHE A 80 13.999 6.484 10.301 1.00 0.00 C ATOM 1124 CG PHE A 80 13.783 5.059 10.790 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.112 4.128 9.967 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.253 4.659 12.062 1.00 0.00 C ATOM 1127 CE1 PHE A 80 12.915 2.803 10.413 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.050 3.334 12.507 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.386 2.405 11.681 1.00 0.00 C ATOM 0 H PHE A 80 16.430 6.813 10.643 1.00 0.00 H new ATOM 0 HA PHE A 80 14.856 5.612 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.366 7.106 11.118 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.051 6.913 9.975 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.749 4.430 8.996 1.00 0.00 H new ATOM 0 HD2 PHE A 80 14.768 5.367 12.694 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.402 2.093 9.781 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.404 3.032 13.482 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.238 1.390 12.019 1.00 0.00 H new ATOM 1139 N VAL A 81 14.563 7.497 6.957 1.00 0.00 N ATOM 1140 CA VAL A 81 14.317 8.586 5.999 1.00 0.00 C ATOM 1141 C VAL A 81 12.836 8.599 5.652 1.00 0.00 C ATOM 1142 O VAL A 81 12.100 7.761 6.138 1.00 0.00 O ATOM 1143 CB VAL A 81 15.136 8.394 4.709 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.614 8.658 5.002 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.967 6.960 4.203 1.00 0.00 C ATOM 0 H VAL A 81 14.535 6.564 6.546 1.00 0.00 H new ATOM 0 HA VAL A 81 14.619 9.529 6.455 1.00 0.00 H new ATOM 0 HB VAL A 81 14.783 9.091 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.196 8.523 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.737 9.679 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.964 7.960 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.547 6.826 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.319 6.262 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.914 6.769 3.995 1.00 0.00 H new ATOM 1155 N SER A 82 12.394 9.536 4.812 1.00 0.00 N ATOM 1156 CA SER A 82 10.973 9.615 4.432 1.00 0.00 C ATOM 1157 C SER A 82 10.742 8.988 3.054 1.00 0.00 C ATOM 1158 O SER A 82 11.194 9.524 2.043 1.00 0.00 O ATOM 1159 CB SER A 82 10.535 11.089 4.428 1.00 0.00 C ATOM 1160 OG SER A 82 9.172 11.176 4.820 1.00 0.00 O ATOM 0 H SER A 82 12.988 10.246 4.383 1.00 0.00 H new ATOM 0 HA SER A 82 10.378 9.058 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.159 11.667 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.667 11.517 3.434 1.00 0.00 H new ATOM 0 HG SER A 82 8.891 12.115 4.820 1.00 0.00 H new ATOM 1166 N THR A 83 10.062 7.835 3.017 1.00 0.00 N ATOM 1167 CA THR A 83 9.804 7.132 1.753 1.00 0.00 C ATOM 1168 C THR A 83 8.343 7.223 1.333 1.00 0.00 C ATOM 1169 O THR A 83 7.435 7.233 2.165 1.00 0.00 O ATOM 1170 CB THR A 83 10.151 5.643 1.889 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.214 5.021 2.760 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.563 5.492 2.462 1.00 0.00 C ATOM 0 H THR A 83 9.682 7.371 3.842 1.00 0.00 H new ATOM 0 HA THR A 83 10.427 7.615 1.000 1.00 0.00 H new ATOM 0 HB THR A 83 10.110 5.169 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.011 5.623 3.506 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.806 4.434 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.280 5.970 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.610 5.965 3.443 1.00 0.00 H new ATOM 1180 N LYS A 84 8.137 7.294 0.019 1.00 0.00 N ATOM 1181 CA LYS A 84 6.796 7.387 -0.554 1.00 0.00 C ATOM 1182 C LYS A 84 6.701 6.543 -1.824 1.00 0.00 C ATOM 1183 O LYS A 84 7.682 6.379 -2.550 1.00 0.00 O ATOM 1184 CB LYS A 84 6.483 8.858 -0.871 1.00 0.00 C ATOM 1185 CG LYS A 84 7.331 9.355 -2.082 1.00 0.00 C ATOM 1186 CD LYS A 84 6.492 9.334 -3.386 1.00 0.00 C ATOM 1187 CE LYS A 84 7.402 9.215 -4.623 1.00 0.00 C ATOM 1188 NZ LYS A 84 7.649 7.774 -4.912 1.00 0.00 N ATOM 0 H LYS A 84 8.887 7.289 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 84 6.070 7.007 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.422 8.969 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.691 9.475 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.689 10.367 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.211 8.723 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.794 8.497 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.896 10.244 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.933 9.695 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.346 9.730 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.500 7.679 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.788 7.260 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.832 7.376 -5.417 1.00 0.00 H new ATOM 1202 N ILE A 85 5.510 6.018 -2.087 1.00 0.00 N ATOM 1203 CA ILE A 85 5.276 5.200 -3.275 1.00 0.00 C ATOM 1204 C ILE A 85 3.781 5.186 -3.584 1.00 0.00 C ATOM 1205 O ILE A 85 2.953 5.120 -2.676 1.00 0.00 O ATOM 1206 CB ILE A 85 5.803 3.763 -3.076 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.536 2.936 -4.341 1.00 0.00 C ATOM 1208 CG2 ILE A 85 5.110 3.118 -1.882 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.262 1.579 -4.261 1.00 0.00 C ATOM 0 H ILE A 85 4.690 6.143 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 85 5.819 5.632 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 85 6.876 3.797 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.464 2.776 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.874 3.485 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.486 2.104 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.312 3.703 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.035 3.085 -2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.062 1.005 -5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.335 1.745 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.903 1.025 -3.394 1.00 0.00 H new ATOM 1221 N ASN A 86 3.437 5.272 -4.870 1.00 0.00 N ATOM 1222 CA ASN A 86 2.033 5.301 -5.281 1.00 0.00 C ATOM 1223 C ASN A 86 1.419 3.901 -5.243 1.00 0.00 C ATOM 1224 O ASN A 86 1.813 3.027 -6.008 1.00 0.00 O ATOM 1225 CB ASN A 86 1.926 5.914 -6.701 1.00 0.00 C ATOM 1226 CG ASN A 86 0.731 6.878 -6.782 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.334 6.637 -6.068 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.774 7.861 -7.495 1.00 0.00 N flip ATOM 0 H ASN A 86 4.105 5.322 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 86 1.472 5.920 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.846 6.445 -6.945 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.811 5.120 -7.439 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.606 8.050 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.022 8.497 -7.535 1.00 0.00 H new ATOM 1235 N LEU A 87 0.442 3.710 -4.359 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.236 2.422 -4.231 1.00 0.00 C ATOM 1237 C LEU A 87 -1.054 2.109 -5.487 1.00 0.00 C ATOM 1238 O LEU A 87 -1.226 0.946 -5.852 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.156 2.447 -3.004 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.333 2.486 -1.702 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.257 2.901 -0.552 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.277 1.104 -1.390 1.00 0.00 C ATOM 0 H LEU A 87 0.102 4.430 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 87 0.517 1.643 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.810 3.318 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.798 1.566 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 87 0.482 3.200 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.689 2.933 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.673 3.887 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.067 2.178 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.853 1.161 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.522 0.371 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.932 0.802 -2.207 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.557 3.155 -6.138 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.363 2.987 -7.349 1.00 0.00 C ATOM 1256 C ASP A 88 -1.549 2.377 -8.485 1.00 0.00 C ATOM 1257 O ASP A 88 -2.106 1.897 -9.470 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.901 4.347 -7.805 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.746 5.331 -7.966 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.609 4.893 -7.910 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -2.019 6.505 -8.154 1.00 0.00 O ATOM 0 H ASP A 88 -1.423 4.124 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.184 2.312 -7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.434 4.240 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.617 4.728 -7.077 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.234 2.423 -8.356 1.00 0.00 N ATOM 1267 CA ASP A 89 0.645 1.900 -9.395 1.00 0.00 C ATOM 1268 C ASP A 89 0.332 0.435 -9.735 1.00 0.00 C ATOM 1269 O ASP A 89 0.357 0.053 -10.906 1.00 0.00 O ATOM 1270 CB ASP A 89 2.110 2.051 -8.944 1.00 0.00 C ATOM 1271 CG ASP A 89 3.037 2.175 -10.159 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.246 1.177 -10.829 1.00 0.00 O ATOM 1273 OD2 ASP A 89 3.520 3.270 -10.397 1.00 0.00 O ATOM 0 H ASP A 89 0.249 2.814 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 89 0.477 2.477 -10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.212 2.932 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.402 1.190 -8.343 1.00 0.00 H new ATOM 1278 N HIS A 90 0.055 -0.388 -8.716 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.238 -1.818 -8.937 1.00 0.00 C ATOM 1280 C HIS A 90 -1.494 -2.261 -8.190 1.00 0.00 C ATOM 1281 O HIS A 90 -2.228 -3.130 -8.662 1.00 0.00 O ATOM 1282 CB HIS A 90 0.936 -2.660 -8.440 1.00 0.00 C ATOM 1283 CG HIS A 90 2.139 -2.437 -9.314 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.369 -3.179 -10.461 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.196 -1.571 -9.210 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.527 -2.749 -10.995 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.072 -1.771 -10.270 1.00 0.00 N ATOM 0 H HIS A 90 0.027 -0.097 -7.739 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.398 -1.959 -10.006 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.172 -2.396 -7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.664 -3.716 -8.445 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.770 -3.916 -10.833 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.328 -0.843 -8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.962 -3.147 -11.900 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.722 -1.687 -7.017 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.885 -2.060 -6.219 1.00 0.00 C ATOM 1297 C ILE A 91 -4.166 -1.725 -6.973 1.00 0.00 C ATOM 1298 O ILE A 91 -4.358 -0.595 -7.417 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.892 -1.325 -4.859 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.514 -1.456 -4.165 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -3.996 -1.893 -3.960 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.313 -2.849 -3.545 1.00 0.00 C ATOM 0 H ILE A 91 -1.127 -0.971 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.831 -3.133 -6.036 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.090 -0.268 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.723 -1.264 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.425 -0.697 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.993 -1.369 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.964 -1.760 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.818 -2.955 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.334 -2.897 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.088 -3.031 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.375 -3.607 -4.326 1.00 0.00 H new ATOM 1314 N ALA A 92 -5.034 -2.726 -7.131 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.302 -2.549 -7.851 1.00 0.00 C ATOM 1316 C ALA A 92 -7.463 -3.053 -7.014 1.00 0.00 C ATOM 1317 O ALA A 92 -7.277 -3.561 -5.909 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.271 -3.327 -9.156 1.00 0.00 C ATOM 0 H ALA A 92 -4.884 -3.669 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.433 -1.486 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.215 -3.190 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.452 -2.963 -9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.123 -4.386 -8.945 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.667 -2.921 -7.566 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.883 -3.374 -6.894 1.00 0.00 C ATOM 1326 C ASN A 93 -10.471 -4.567 -7.636 1.00 0.00 C ATOM 1327 O ASN A 93 -10.828 -4.464 -8.810 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.906 -2.246 -6.864 1.00 0.00 C ATOM 1329 CG ASN A 93 -12.136 -2.699 -6.081 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -12.021 -3.418 -5.107 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.319 -2.306 -6.466 1.00 0.00 N ATOM 0 H ASN A 93 -8.827 -2.502 -8.482 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.635 -3.668 -5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.473 -1.359 -6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.189 -1.970 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.148 -2.602 -5.950 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.415 -1.703 -7.283 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.567 -5.703 -6.944 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.112 -6.932 -7.530 1.00 0.00 C ATOM 1340 C ILE A 94 -12.375 -7.349 -6.779 1.00 0.00 C ATOM 1341 O ILE A 94 -12.307 -7.809 -5.640 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.076 -8.085 -7.443 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.669 -7.577 -7.841 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.500 -9.263 -8.342 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.621 -7.123 -9.308 1.00 0.00 C ATOM 0 H ILE A 94 -10.273 -5.799 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.346 -6.736 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.038 -8.437 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.386 -6.747 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.938 -8.369 -7.681 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.762 -10.061 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.472 -9.636 -8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.567 -8.926 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.617 -6.774 -9.548 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.879 -7.960 -9.957 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.333 -6.313 -9.462 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.526 -7.181 -7.424 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.802 -7.538 -6.808 1.00 0.00 C ATOM 1359 C ASP A 95 -14.967 -6.809 -5.469 1.00 0.00 C ATOM 1360 O ASP A 95 -15.630 -7.301 -4.555 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.886 -9.073 -6.614 1.00 0.00 C ATOM 1362 CG ASP A 95 -15.477 -9.736 -7.867 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -14.758 -9.865 -8.844 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.641 -10.100 -7.823 1.00 0.00 O ATOM 0 H ASP A 95 -13.602 -6.802 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.614 -7.229 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.893 -9.476 -6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.504 -9.304 -5.746 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.374 -5.623 -5.372 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.467 -4.814 -4.163 1.00 0.00 C ATOM 1371 C GLY A 96 -13.417 -5.170 -3.133 1.00 0.00 C ATOM 1372 O GLY A 96 -13.536 -4.802 -1.964 1.00 0.00 O ATOM 0 H GLY A 96 -13.823 -5.201 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.367 -3.761 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.457 -4.939 -3.724 1.00 0.00 H new ATOM 1376 N THR A 97 -12.381 -5.887 -3.564 1.00 0.00 N ATOM 1377 CA THR A 97 -11.291 -6.294 -2.668 1.00 0.00 C ATOM 1378 C THR A 97 -9.986 -5.667 -3.134 1.00 0.00 C ATOM 1379 O THR A 97 -9.830 -5.369 -4.311 1.00 0.00 O ATOM 1380 CB THR A 97 -11.125 -7.822 -2.675 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.659 -8.233 -3.952 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.472 -8.484 -2.383 1.00 0.00 C ATOM 0 H THR A 97 -12.270 -6.200 -4.528 1.00 0.00 H new ATOM 0 HA THR A 97 -11.536 -5.960 -1.660 1.00 0.00 H new ATOM 0 HB THR A 97 -10.407 -8.117 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.415 -8.294 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.354 -9.568 -2.388 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.831 -8.163 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.193 -8.194 -3.147 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.041 -5.476 -2.216 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.747 -4.887 -2.569 1.00 0.00 C ATOM 1392 C LEU A 98 -6.721 -5.981 -2.835 1.00 0.00 C ATOM 1393 O LEU A 98 -6.453 -6.815 -1.973 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.248 -3.996 -1.426 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.331 -2.984 -1.022 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.865 -2.221 0.223 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.584 -1.986 -2.168 1.00 0.00 C ATOM 0 H LEU A 98 -9.143 -5.717 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.876 -4.288 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.979 -4.612 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.346 -3.468 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.257 -3.518 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.629 -1.501 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.698 -2.924 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.936 -1.695 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.354 -1.275 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.662 -1.450 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.915 -2.527 -3.055 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.142 -5.965 -4.034 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.127 -6.951 -4.423 1.00 0.00 C ATOM 1411 C LYS A 99 -3.996 -6.241 -5.170 1.00 0.00 C ATOM 1412 O LYS A 99 -4.132 -5.089 -5.580 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.747 -8.036 -5.347 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.352 -9.221 -4.539 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.798 -8.916 -4.071 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.566 -10.234 -3.863 1.00 0.00 C ATOM 1417 NZ LYS A 99 -7.653 -11.256 -3.281 1.00 0.00 N ATOM 0 H LYS A 99 -6.357 -5.279 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.741 -7.432 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.524 -7.585 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.982 -8.414 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.351 -10.120 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.725 -9.428 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.777 -8.346 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.308 -8.300 -4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.416 -10.071 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.966 -10.588 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.213 -11.981 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.101 -11.702 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.007 -10.800 -2.606 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.887 -6.954 -5.358 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.729 -6.417 -6.075 1.00 0.00 C ATOM 1433 C TYR A 100 -1.719 -6.972 -7.496 1.00 0.00 C ATOM 1434 O TYR A 100 -1.934 -8.166 -7.705 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.445 -6.814 -5.339 1.00 0.00 C ATOM 1436 CG TYR A 100 0.779 -6.470 -6.166 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.297 -5.157 -6.158 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.424 -7.475 -6.922 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.459 -4.853 -6.905 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.577 -7.165 -7.675 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.094 -5.853 -7.666 1.00 0.00 C ATOM 1442 OH TYR A 100 4.301 -5.583 -8.277 1.00 0.00 O ATOM 0 H TYR A 100 -2.765 -7.909 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.788 -5.329 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.397 -6.300 -4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.458 -7.883 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.807 -4.386 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.034 -8.482 -6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.860 -3.850 -6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.063 -7.933 -8.258 1.00 0.00 H new ATOM 0 HH TYR A 100 4.607 -6.377 -8.762 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.473 -6.096 -8.470 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.441 -6.495 -9.882 1.00 0.00 C ATOM 1454 C GLU A 101 -0.030 -6.343 -10.439 1.00 0.00 C ATOM 1455 O GLU A 101 0.337 -5.226 -10.770 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.394 -5.616 -10.692 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.803 -5.654 -10.088 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.458 -7.012 -10.360 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.181 -7.584 -11.401 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.232 -7.451 -9.525 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.642 -7.351 -10.581 1.00 0.00 O ATOM 0 H GLU A 101 -1.293 -5.105 -8.310 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.750 -7.538 -9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.026 -4.590 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.426 -5.960 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.751 -5.475 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.411 -4.857 -10.515 1.00 0.00 H new