USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 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 90 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-4.7!) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 SER OG : rot 66:sc= 1.3 USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -3.75! C(o=-6.6!,f=-2.4!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.673 K(o=-0.19,f=-1.5) USER MOD Set 3.2: A 21 THR OG1 : rot -69:sc= 0.247 USER MOD Set 3.3: A 31 THR OG1 : rot 180:sc= 0.239 USER MOD Set 4.1: A 30 ASN : amide:sc= 0.924 X(o=1.9,f=2) USER MOD Set 4.2: A 32 SER OG : rot 180:sc= 1.03 USER MOD Set 5.1: A 7 THR OG1 : rot -65:sc= 1.09 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.42 K(o=-1.3,f=-4.7) USER MOD Set 6.1: A 3 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0901) USER MOD Set 6.2: A 6 GLN :FLIP amide:sc= -0.0518 F(o=-2.9,f=-0.052) USER MOD Set 7.1: A 5 SER OG : rot -37:sc= 0 USER MOD Set 7.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -32:sc= 1.44 USER MOD Single : A 11 SER OG : rot -170:sc= -1.12 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.84! C(o=-3.4!,f=-1.8!) USER MOD Single : A 16 SER OG : rot 80:sc= 1.56 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 20 SER OG : rot -20:sc= 0.555 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.338 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= -0.719 F(o=-1.8!,f=-0.72) USER MOD Single : A 38 SER OG : rot -48:sc= 0.461 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=-0.34) USER MOD Single : A 61 THR OG1 : rot 160:sc= 0.719 USER MOD Single : A 62 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.022) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -91:sc= 0.754 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -44:sc= -1.81! USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0847) USER MOD Single : A 97 THR OG1 : rot -80:sc= 0.674 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.839 -1.762 -11.398 1.00 0.00 N ATOM 23 CA GLY A 2 -3.835 -0.937 -10.207 1.00 0.00 C ATOM 24 C GLY A 2 -5.020 0.009 -10.103 1.00 0.00 C ATOM 25 O GLY A 2 -6.177 -0.400 -10.181 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.822 -1.584 -9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.915 -0.353 -10.186 1.00 0.00 H new ATOM 29 N LYS A 3 -4.703 1.288 -9.946 1.00 0.00 N ATOM 30 CA LYS A 3 -5.718 2.339 -9.842 1.00 0.00 C ATOM 31 C LYS A 3 -6.940 1.891 -9.033 1.00 0.00 C ATOM 32 O LYS A 3 -8.076 2.169 -9.414 1.00 0.00 O ATOM 33 CB LYS A 3 -6.150 2.771 -11.252 1.00 0.00 C ATOM 34 CG LYS A 3 -5.035 3.600 -11.928 1.00 0.00 C ATOM 35 CD LYS A 3 -5.047 5.060 -11.424 1.00 0.00 C ATOM 36 CE LYS A 3 -4.209 5.941 -12.359 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.997 6.240 -13.586 1.00 0.00 N ATOM 0 H LYS A 3 -3.743 1.629 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.273 3.180 -9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.375 1.892 -11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.065 3.360 -11.194 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.065 3.148 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.170 3.584 -13.009 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.071 5.431 -11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.648 5.108 -10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.933 6.867 -11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.281 5.433 -12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.377 6.181 -14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.769 5.550 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.396 7.198 -13.518 1.00 0.00 H new ATOM 51 N PHE A 4 -6.708 1.228 -7.904 1.00 0.00 N ATOM 52 CA PHE A 4 -7.821 0.796 -7.063 1.00 0.00 C ATOM 53 C PHE A 4 -8.571 2.019 -6.537 1.00 0.00 C ATOM 54 O PHE A 4 -9.788 1.991 -6.361 1.00 0.00 O ATOM 55 CB PHE A 4 -7.323 -0.067 -5.884 1.00 0.00 C ATOM 56 CG PHE A 4 -6.643 0.793 -4.835 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.414 1.414 -5.130 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.230 0.966 -3.559 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.774 2.207 -4.163 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.582 1.754 -2.584 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.356 2.383 -2.888 1.00 0.00 C ATOM 0 H PHE A 4 -5.782 0.982 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.494 0.187 -7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.163 -0.598 -5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.626 -0.822 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.962 1.280 -6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.175 0.495 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.833 2.684 -4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.024 1.876 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.864 2.997 -2.148 1.00 0.00 H new ATOM 71 N SER A 5 -7.818 3.088 -6.287 1.00 0.00 N ATOM 72 CA SER A 5 -8.386 4.330 -5.772 1.00 0.00 C ATOM 73 C SER A 5 -9.549 4.823 -6.637 1.00 0.00 C ATOM 74 O SER A 5 -10.445 5.507 -6.145 1.00 0.00 O ATOM 75 CB SER A 5 -7.290 5.400 -5.700 1.00 0.00 C ATOM 76 OG SER A 5 -7.630 6.356 -4.704 1.00 0.00 O ATOM 0 H SER A 5 -6.809 3.118 -6.434 1.00 0.00 H new ATOM 0 HA SER A 5 -8.780 4.137 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.331 4.939 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.180 5.890 -6.668 1.00 0.00 H new ATOM 0 HG SER A 5 -8.598 6.507 -4.712 1.00 0.00 H new ATOM 82 N GLN A 6 -9.530 4.482 -7.923 1.00 0.00 N ATOM 83 CA GLN A 6 -10.595 4.915 -8.825 1.00 0.00 C ATOM 84 C GLN A 6 -11.934 4.310 -8.405 1.00 0.00 C ATOM 85 O GLN A 6 -12.987 4.904 -8.634 1.00 0.00 O ATOM 86 CB GLN A 6 -10.273 4.504 -10.276 1.00 0.00 C ATOM 87 CG GLN A 6 -9.232 5.456 -10.894 1.00 0.00 C ATOM 88 CD GLN A 6 -9.193 5.255 -12.412 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.098 4.833 -12.980 1.00 0.00 O flip ATOM 90 NE2 GLN A 6 -10.175 5.490 -13.089 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.802 3.916 -8.359 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.665 6.001 -8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.894 3.482 -10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.185 4.517 -10.874 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.485 6.490 -10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.248 5.264 -10.466 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.033 5.820 -12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.141 5.357 -14.100 1.00 0.00 H new ATOM 99 N THR A 7 -11.887 3.130 -7.789 1.00 0.00 N ATOM 100 CA THR A 7 -13.104 2.446 -7.335 1.00 0.00 C ATOM 101 C THR A 7 -12.955 2.018 -5.881 1.00 0.00 C ATOM 102 O THR A 7 -13.540 1.026 -5.447 1.00 0.00 O ATOM 103 CB THR A 7 -13.394 1.205 -8.201 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.408 0.424 -7.587 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.126 0.372 -8.346 1.00 0.00 C ATOM 0 H THR A 7 -11.023 2.626 -7.592 1.00 0.00 H new ATOM 0 HA THR A 7 -13.935 3.145 -7.429 1.00 0.00 H new ATOM 0 HB THR A 7 -13.730 1.525 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.078 0.072 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.335 -0.505 -8.959 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.350 0.971 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.785 0.053 -7.361 1.00 0.00 H new ATOM 113 N CYS A 8 -12.177 2.796 -5.124 1.00 0.00 N ATOM 114 CA CYS A 8 -11.958 2.523 -3.701 1.00 0.00 C ATOM 115 C CYS A 8 -11.931 3.824 -2.914 1.00 0.00 C ATOM 116 O CYS A 8 -11.288 4.794 -3.314 1.00 0.00 O ATOM 117 CB CYS A 8 -10.653 1.750 -3.491 1.00 0.00 C ATOM 118 SG CYS A 8 -10.854 0.059 -4.107 1.00 0.00 S ATOM 0 H CYS A 8 -11.688 3.620 -5.473 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.782 1.909 -3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.835 2.245 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.392 1.735 -2.433 1.00 0.00 H new ATOM 123 N TYR A 9 -12.652 3.837 -1.792 1.00 0.00 N ATOM 124 CA TYR A 9 -12.734 5.022 -0.936 1.00 0.00 C ATOM 125 C TYR A 9 -12.581 4.632 0.532 1.00 0.00 C ATOM 126 O TYR A 9 -12.628 3.451 0.878 1.00 0.00 O ATOM 127 CB TYR A 9 -14.080 5.721 -1.153 1.00 0.00 C ATOM 128 CG TYR A 9 -15.213 4.791 -0.771 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.680 3.827 -1.692 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.805 4.888 0.506 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.738 2.962 -1.334 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.860 4.022 0.866 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.329 3.060 -0.054 1.00 0.00 C ATOM 134 OH TYR A 9 -18.414 2.270 0.268 1.00 0.00 O ATOM 0 H TYR A 9 -13.189 3.038 -1.454 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.925 5.704 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.128 6.631 -0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.180 6.020 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.228 3.751 -2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.450 5.626 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.095 2.226 -2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.308 4.096 1.846 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.955 2.115 -0.534 1.00 0.00 H new ATOM 144 N ASN A 10 -12.380 5.636 1.385 1.00 0.00 N ATOM 145 CA ASN A 10 -12.200 5.400 2.815 1.00 0.00 C ATOM 146 C ASN A 10 -11.007 4.484 3.051 1.00 0.00 C ATOM 147 O ASN A 10 -11.079 3.541 3.841 1.00 0.00 O ATOM 148 CB ASN A 10 -13.463 4.780 3.423 1.00 0.00 C ATOM 149 CG ASN A 10 -13.283 4.626 4.934 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.536 5.362 5.547 1.00 0.00 O ATOM 151 ND2 ASN A 10 -13.947 3.696 5.566 1.00 0.00 N ATOM 0 H ASN A 10 -12.338 6.618 1.111 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.014 6.358 3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.327 5.410 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.658 3.808 2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.838 3.588 6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.574 3.078 5.051 1.00 0.00 H new ATOM 158 N SER A 11 -9.906 4.769 2.356 1.00 0.00 N ATOM 159 CA SER A 11 -8.694 3.969 2.492 1.00 0.00 C ATOM 160 C SER A 11 -7.948 4.342 3.767 1.00 0.00 C ATOM 161 O SER A 11 -8.022 5.476 4.236 1.00 0.00 O ATOM 162 CB SER A 11 -7.786 4.171 1.269 1.00 0.00 C ATOM 163 OG SER A 11 -7.772 5.546 0.925 1.00 0.00 O ATOM 0 H SER A 11 -9.830 5.544 1.697 1.00 0.00 H new ATOM 0 HA SER A 11 -8.978 2.918 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.775 3.828 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.148 3.577 0.430 1.00 0.00 H new ATOM 0 HG SER A 11 -7.327 5.662 0.060 1.00 0.00 H new ATOM 169 N ALA A 12 -7.229 3.370 4.323 1.00 0.00 N ATOM 170 CA ALA A 12 -6.465 3.587 5.548 1.00 0.00 C ATOM 171 C ALA A 12 -5.267 2.653 5.587 1.00 0.00 C ATOM 172 O ALA A 12 -5.293 1.564 5.013 1.00 0.00 O ATOM 173 CB ALA A 12 -7.349 3.340 6.759 1.00 0.00 C ATOM 0 H ALA A 12 -7.160 2.425 3.945 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.112 4.618 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.773 3.504 7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.196 4.026 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.713 2.313 6.740 1.00 0.00 H new ATOM 179 N ILE A 13 -4.208 3.090 6.263 1.00 0.00 N ATOM 180 CA ILE A 13 -2.986 2.295 6.374 1.00 0.00 C ATOM 181 C ILE A 13 -2.414 2.429 7.773 1.00 0.00 C ATOM 182 O ILE A 13 -2.385 3.522 8.339 1.00 0.00 O ATOM 183 CB ILE A 13 -1.948 2.755 5.331 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.683 2.885 3.986 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.808 1.720 5.241 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.728 3.213 2.847 1.00 0.00 C ATOM 0 H ILE A 13 -4.170 3.990 6.742 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.227 1.249 6.183 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.503 3.711 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.205 1.954 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.441 3.665 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.076 2.048 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.325 1.625 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.216 0.754 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.288 3.296 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.226 4.158 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.986 2.420 2.755 1.00 0.00 H new ATOM 198 N GLN A 14 -1.968 1.308 8.338 1.00 0.00 N ATOM 199 CA GLN A 14 -1.415 1.313 9.689 1.00 0.00 C ATOM 200 C GLN A 14 -0.416 0.168 9.870 1.00 0.00 C ATOM 201 O GLN A 14 -0.775 -0.938 10.276 1.00 0.00 O ATOM 202 CB GLN A 14 -2.567 1.193 10.711 1.00 0.00 C ATOM 203 CG GLN A 14 -2.183 1.857 12.042 1.00 0.00 C ATOM 204 CD GLN A 14 -0.827 1.332 12.516 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.266 1.879 12.058 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.762 0.416 13.312 1.00 0.00 N flip ATOM 0 H GLN A 14 -1.979 0.394 7.886 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.882 2.250 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.466 1.662 10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.804 0.142 10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.141 2.939 11.919 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.945 1.651 12.794 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.617 -0.011 13.669 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.147 0.074 13.623 1.00 0.00 H new ATOM 215 N GLY A 15 0.839 0.455 9.545 1.00 0.00 N ATOM 216 CA GLY A 15 1.916 -0.524 9.651 1.00 0.00 C ATOM 217 C GLY A 15 2.294 -1.095 8.300 1.00 0.00 C ATOM 218 O GLY A 15 3.296 -0.701 7.713 1.00 0.00 O ATOM 0 H GLY A 15 1.139 1.368 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.789 -0.055 10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.608 -1.333 10.314 1.00 0.00 H new ATOM 222 N SER A 16 1.491 -2.028 7.801 1.00 0.00 N ATOM 223 CA SER A 16 1.768 -2.645 6.503 1.00 0.00 C ATOM 224 C SER A 16 0.504 -3.266 5.937 1.00 0.00 C ATOM 225 O SER A 16 0.555 -4.221 5.165 1.00 0.00 O ATOM 226 CB SER A 16 2.841 -3.719 6.661 1.00 0.00 C ATOM 227 OG SER A 16 2.229 -4.951 7.024 1.00 0.00 O ATOM 0 H SER A 16 0.652 -2.373 8.267 1.00 0.00 H new ATOM 0 HA SER A 16 2.123 -1.876 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.394 -3.836 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.561 -3.420 7.423 1.00 0.00 H new ATOM 0 HG SER A 16 1.860 -5.381 6.224 1.00 0.00 H new ATOM 233 N VAL A 17 -0.628 -2.707 6.341 1.00 0.00 N ATOM 234 CA VAL A 17 -1.932 -3.187 5.892 1.00 0.00 C ATOM 235 C VAL A 17 -2.736 -2.049 5.294 1.00 0.00 C ATOM 236 O VAL A 17 -3.052 -1.077 5.975 1.00 0.00 O ATOM 237 CB VAL A 17 -2.729 -3.783 7.068 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.975 -4.490 6.536 1.00 0.00 C ATOM 239 CG2 VAL A 17 -1.853 -4.789 7.817 1.00 0.00 C ATOM 0 H VAL A 17 -0.672 -1.916 6.983 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.760 -3.957 5.140 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.028 -2.984 7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.538 -4.911 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.599 -3.774 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.678 -5.290 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.415 -5.212 8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.554 -5.588 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.965 -4.285 8.198 1.00 0.00 H new ATOM 249 N LEU A 18 -3.119 -2.201 4.030 1.00 0.00 N ATOM 250 CA LEU A 18 -3.947 -1.208 3.356 1.00 0.00 C ATOM 251 C LEU A 18 -5.376 -1.696 3.497 1.00 0.00 C ATOM 252 O LEU A 18 -5.632 -2.863 3.245 1.00 0.00 O ATOM 253 CB LEU A 18 -3.540 -1.115 1.865 1.00 0.00 C ATOM 254 CG LEU A 18 -3.877 0.267 1.259 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.722 0.197 -0.266 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.319 0.677 1.604 1.00 0.00 C ATOM 0 H LEU A 18 -2.869 -3.003 3.452 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.829 -0.213 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.471 -1.302 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.052 -1.894 1.300 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.195 1.009 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.958 1.168 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.696 -0.072 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.402 -0.555 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.534 1.652 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.013 -0.061 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.433 0.731 2.687 1.00 0.00 H new ATOM 268 N THR A 19 -6.310 -0.833 3.878 1.00 0.00 N ATOM 269 CA THR A 19 -7.708 -1.239 4.024 1.00 0.00 C ATOM 270 C THR A 19 -8.573 -0.144 3.439 1.00 0.00 C ATOM 271 O THR A 19 -8.408 1.023 3.787 1.00 0.00 O ATOM 272 CB THR A 19 -8.081 -1.419 5.510 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.268 -2.431 6.085 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.553 -1.818 5.625 1.00 0.00 C ATOM 0 H THR A 19 -6.129 0.148 4.091 1.00 0.00 H new ATOM 0 HA THR A 19 -7.861 -2.189 3.512 1.00 0.00 H new ATOM 0 HB THR A 19 -7.919 -0.480 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.505 -2.543 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.815 -1.945 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.177 -1.038 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.718 -2.756 5.094 1.00 0.00 H new ATOM 282 N SER A 20 -9.479 -0.506 2.536 1.00 0.00 N ATOM 283 CA SER A 20 -10.336 0.492 1.902 1.00 0.00 C ATOM 284 C SER A 20 -11.632 -0.126 1.404 1.00 0.00 C ATOM 285 O SER A 20 -11.644 -1.237 0.872 1.00 0.00 O ATOM 286 CB SER A 20 -9.591 1.127 0.720 1.00 0.00 C ATOM 287 OG SER A 20 -10.193 2.375 0.405 1.00 0.00 O ATOM 0 H SER A 20 -9.638 -1.466 2.230 1.00 0.00 H new ATOM 0 HA SER A 20 -10.582 1.250 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.540 1.270 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.625 0.465 -0.145 1.00 0.00 H new ATOM 0 HG SER A 20 -11.104 2.399 0.765 1.00 0.00 H new ATOM 293 N THR A 21 -12.716 0.626 1.553 1.00 0.00 N ATOM 294 CA THR A 21 -14.018 0.176 1.087 1.00 0.00 C ATOM 295 C THR A 21 -14.089 0.371 -0.418 1.00 0.00 C ATOM 296 O THR A 21 -13.879 1.477 -0.914 1.00 0.00 O ATOM 297 CB THR A 21 -15.151 0.971 1.764 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.906 1.031 3.162 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.490 0.277 1.509 1.00 0.00 C ATOM 0 H THR A 21 -12.718 1.547 1.992 1.00 0.00 H new ATOM 0 HA THR A 21 -14.143 -0.876 1.342 1.00 0.00 H new ATOM 0 HB THR A 21 -15.186 1.980 1.353 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.016 0.139 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.290 0.841 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.675 0.226 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.461 -0.732 1.920 1.00 0.00 H new ATOM 307 N CYS A 22 -14.366 -0.711 -1.148 1.00 0.00 N ATOM 308 CA CYS A 22 -14.438 -0.654 -2.611 1.00 0.00 C ATOM 309 C CYS A 22 -15.781 -1.152 -3.118 1.00 0.00 C ATOM 310 O CYS A 22 -16.438 -1.975 -2.483 1.00 0.00 O ATOM 311 CB CYS A 22 -13.307 -1.494 -3.210 1.00 0.00 C ATOM 312 SG CYS A 22 -11.714 -0.923 -2.564 1.00 0.00 S ATOM 0 H CYS A 22 -14.544 -1.634 -0.753 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.329 0.385 -2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.454 -2.546 -2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.319 -1.415 -4.297 1.00 0.00 H new ATOM 317 N GLU A 23 -16.178 -0.624 -4.269 1.00 0.00 N ATOM 318 CA GLU A 23 -17.447 -0.987 -4.884 1.00 0.00 C ATOM 319 C GLU A 23 -17.396 -2.404 -5.446 1.00 0.00 C ATOM 320 O GLU A 23 -16.594 -2.701 -6.330 1.00 0.00 O ATOM 321 CB GLU A 23 -17.759 -0.002 -6.017 1.00 0.00 C ATOM 322 CG GLU A 23 -17.872 1.426 -5.453 1.00 0.00 C ATOM 323 CD GLU A 23 -17.722 2.451 -6.582 1.00 0.00 C ATOM 324 OE1 GLU A 23 -18.249 2.206 -7.654 1.00 0.00 O ATOM 325 OE2 GLU A 23 -17.084 3.466 -6.352 1.00 0.00 O ATOM 0 H GLU A 23 -15.636 0.060 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.226 -0.945 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.974 -0.043 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.690 -0.283 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.835 1.555 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.103 1.589 -4.698 1.00 0.00 H new ATOM 332 N ARG A 24 -18.269 -3.270 -4.939 1.00 0.00 N ATOM 333 CA ARG A 24 -18.320 -4.648 -5.416 1.00 0.00 C ATOM 334 C ARG A 24 -18.856 -4.690 -6.834 1.00 0.00 C ATOM 335 O ARG A 24 -19.559 -3.780 -7.274 1.00 0.00 O ATOM 336 CB ARG A 24 -19.215 -5.514 -4.521 1.00 0.00 C ATOM 337 CG ARG A 24 -18.642 -5.598 -3.091 1.00 0.00 C ATOM 338 CD ARG A 24 -19.216 -6.827 -2.338 1.00 0.00 C ATOM 339 NE ARG A 24 -18.175 -7.896 -2.294 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.288 -8.891 -1.455 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.325 -8.969 -0.668 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.359 -9.807 -1.403 1.00 0.00 N ATOM 0 H ARG A 24 -18.943 -3.046 -4.207 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.305 -5.044 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.221 -5.095 -4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.299 -6.515 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.555 -5.667 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.882 -4.686 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.511 -6.546 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.111 -7.193 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.372 -7.849 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.050 -8.252 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.411 -9.747 -0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.547 -9.745 -2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.446 -10.585 -0.749 1.00 0.00 H new ATOM 356 N THR A 25 -18.522 -5.761 -7.546 1.00 0.00 N ATOM 357 CA THR A 25 -18.972 -5.939 -8.922 1.00 0.00 C ATOM 358 C THR A 25 -20.272 -6.734 -8.943 1.00 0.00 C ATOM 359 O THR A 25 -21.070 -6.616 -9.872 1.00 0.00 O ATOM 360 CB THR A 25 -17.914 -6.701 -9.740 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.685 -5.989 -9.696 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.380 -6.829 -11.190 1.00 0.00 C ATOM 0 H THR A 25 -17.940 -6.520 -7.192 1.00 0.00 H new ATOM 0 HA THR A 25 -19.129 -4.954 -9.361 1.00 0.00 H new ATOM 0 HB THR A 25 -17.775 -7.697 -9.318 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.008 -6.472 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.629 -7.369 -11.767 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.323 -7.374 -11.222 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.520 -5.836 -11.616 1.00 0.00 H new ATOM 370 N ASN A 26 -20.478 -7.547 -7.903 1.00 0.00 N ATOM 371 CA ASN A 26 -21.685 -8.374 -7.787 1.00 0.00 C ATOM 372 C ASN A 26 -22.587 -7.832 -6.670 1.00 0.00 C ATOM 373 O ASN A 26 -23.756 -7.528 -6.896 1.00 0.00 O ATOM 374 CB ASN A 26 -21.269 -9.834 -7.494 1.00 0.00 C ATOM 375 CG ASN A 26 -22.298 -10.816 -8.071 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.115 -11.339 -9.153 1.00 0.00 O ATOM 377 ND2 ASN A 26 -23.376 -11.088 -7.389 1.00 0.00 N ATOM 0 H ASN A 26 -19.824 -7.651 -7.127 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.246 -8.343 -8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.288 -10.032 -7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.180 -9.983 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -24.066 -11.740 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -23.529 -10.649 -6.481 1.00 0.00 H new ATOM 384 N GLY A 27 -22.036 -7.742 -5.462 1.00 0.00 N ATOM 385 CA GLY A 27 -22.793 -7.259 -4.312 1.00 0.00 C ATOM 386 C GLY A 27 -22.844 -5.739 -4.222 1.00 0.00 C ATOM 387 O GLY A 27 -23.126 -5.052 -5.202 1.00 0.00 O ATOM 0 H GLY A 27 -21.070 -7.997 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.810 -7.648 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.348 -7.656 -3.400 1.00 0.00 H new ATOM 391 N GLY A 28 -22.584 -5.230 -3.016 1.00 0.00 N ATOM 392 CA GLY A 28 -22.604 -3.788 -2.743 1.00 0.00 C ATOM 393 C GLY A 28 -21.223 -3.257 -2.423 1.00 0.00 C ATOM 394 O GLY A 28 -20.411 -3.044 -3.318 1.00 0.00 O ATOM 0 H GLY A 28 -22.354 -5.801 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.005 -3.260 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.274 -3.586 -1.907 1.00 0.00 H new ATOM 398 N TYR A 29 -20.961 -3.013 -1.137 1.00 0.00 N ATOM 399 CA TYR A 29 -19.666 -2.490 -0.694 1.00 0.00 C ATOM 400 C TYR A 29 -18.892 -3.573 0.053 1.00 0.00 C ATOM 401 O TYR A 29 -19.473 -4.347 0.814 1.00 0.00 O ATOM 402 CB TYR A 29 -19.887 -1.302 0.244 1.00 0.00 C ATOM 403 CG TYR A 29 -20.534 -0.162 -0.514 1.00 0.00 C ATOM 404 CD1 TYR A 29 -19.801 0.524 -1.506 1.00 0.00 C ATOM 405 CD2 TYR A 29 -21.864 0.227 -0.226 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.394 1.596 -2.207 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.455 1.297 -0.932 1.00 0.00 C ATOM 408 CZ TYR A 29 -21.720 1.980 -1.923 1.00 0.00 C ATOM 409 OH TYR A 29 -22.287 3.041 -2.598 1.00 0.00 O ATOM 0 H TYR A 29 -21.630 -3.169 -0.383 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.097 -2.173 -1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.520 -1.600 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.935 -0.977 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.786 0.229 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.427 -0.295 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -19.830 2.123 -2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.470 1.593 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.206 3.174 -2.285 1.00 0.00 H new ATOM 419 N ASN A 30 -17.577 -3.620 -0.162 1.00 0.00 N ATOM 420 CA ASN A 30 -16.719 -4.612 0.501 1.00 0.00 C ATOM 421 C ASN A 30 -15.444 -3.946 1.004 1.00 0.00 C ATOM 422 O ASN A 30 -14.747 -3.267 0.250 1.00 0.00 O ATOM 423 CB ASN A 30 -16.365 -5.736 -0.481 1.00 0.00 C ATOM 424 CG ASN A 30 -15.305 -6.660 0.126 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.627 -7.680 0.704 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.046 -6.341 0.018 1.00 0.00 N ATOM 0 H ASN A 30 -17.080 -2.986 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.258 -5.035 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.259 -6.309 -0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.995 -5.310 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.330 -6.947 0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.777 -5.485 -0.467 1.00 0.00 H new ATOM 433 N THR A 31 -15.144 -4.152 2.287 1.00 0.00 N ATOM 434 CA THR A 31 -13.946 -3.576 2.906 1.00 0.00 C ATOM 435 C THR A 31 -12.926 -4.658 3.215 1.00 0.00 C ATOM 436 O THR A 31 -12.945 -5.259 4.288 1.00 0.00 O ATOM 437 CB THR A 31 -14.298 -2.848 4.216 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.346 -1.920 3.973 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.065 -2.103 4.735 1.00 0.00 C ATOM 0 H THR A 31 -15.714 -4.714 2.920 1.00 0.00 H new ATOM 0 HA THR A 31 -13.525 -2.865 2.195 1.00 0.00 H new ATOM 0 HB THR A 31 -14.621 -3.575 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.572 -1.457 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.315 -1.588 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.261 -2.815 4.921 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.740 -1.375 3.992 1.00 0.00 H new ATOM 447 N SER A 32 -12.020 -4.890 2.267 1.00 0.00 N ATOM 448 CA SER A 32 -10.964 -5.886 2.437 1.00 0.00 C ATOM 449 C SER A 32 -9.660 -5.181 2.758 1.00 0.00 C ATOM 450 O SER A 32 -9.608 -3.954 2.847 1.00 0.00 O ATOM 451 CB SER A 32 -10.795 -6.705 1.154 1.00 0.00 C ATOM 452 OG SER A 32 -11.848 -7.653 1.059 1.00 0.00 O ATOM 0 H SER A 32 -11.996 -4.401 1.372 1.00 0.00 H new ATOM 0 HA SER A 32 -11.236 -6.557 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.804 -6.047 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.831 -7.214 1.159 1.00 0.00 H new ATOM 0 HG SER A 32 -11.743 -8.177 0.238 1.00 0.00 H new ATOM 458 N SER A 33 -8.602 -5.963 2.921 1.00 0.00 N ATOM 459 CA SER A 33 -7.292 -5.406 3.223 1.00 0.00 C ATOM 460 C SER A 33 -6.208 -6.200 2.509 1.00 0.00 C ATOM 461 O SER A 33 -6.344 -7.405 2.301 1.00 0.00 O ATOM 462 CB SER A 33 -7.053 -5.427 4.737 1.00 0.00 C ATOM 463 OG SER A 33 -7.496 -6.670 5.264 1.00 0.00 O ATOM 0 H SER A 33 -8.625 -6.980 2.850 1.00 0.00 H new ATOM 0 HA SER A 33 -7.256 -4.374 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.994 -5.284 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.588 -4.605 5.213 1.00 0.00 H new ATOM 0 HG SER A 33 -7.343 -6.688 6.232 1.00 0.00 H new ATOM 469 N ILE A 34 -5.125 -5.516 2.142 1.00 0.00 N ATOM 470 CA ILE A 34 -4.002 -6.157 1.457 1.00 0.00 C ATOM 471 C ILE A 34 -2.700 -5.756 2.132 1.00 0.00 C ATOM 472 O ILE A 34 -2.402 -4.573 2.296 1.00 0.00 O ATOM 473 CB ILE A 34 -3.975 -5.777 -0.053 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.770 -6.471 -0.779 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.960 -4.248 -0.233 1.00 0.00 C ATOM 476 CD1 ILE A 34 -1.512 -5.581 -0.864 1.00 0.00 C ATOM 0 H ILE A 34 -5.001 -4.517 2.308 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.123 -7.238 1.523 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.888 -6.145 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.520 -7.392 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.076 -6.753 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.941 -4.007 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.854 -3.819 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.074 -3.834 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.717 -6.122 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.747 -4.671 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.182 -5.320 0.142 1.00 0.00 H new ATOM 488 N ASP A 35 -1.926 -6.754 2.537 1.00 0.00 N ATOM 489 CA ASP A 35 -0.660 -6.489 3.197 1.00 0.00 C ATOM 490 C ASP A 35 0.349 -5.975 2.180 1.00 0.00 C ATOM 491 O ASP A 35 0.711 -6.682 1.239 1.00 0.00 O ATOM 492 CB ASP A 35 -0.138 -7.768 3.872 1.00 0.00 C ATOM 493 CG ASP A 35 0.893 -7.410 4.948 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.540 -6.386 4.803 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.013 -8.162 5.900 1.00 0.00 O ATOM 0 H ASP A 35 -2.151 -7.742 2.421 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.807 -5.729 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.967 -8.317 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.314 -8.423 3.127 1.00 0.00 H new ATOM 500 N LEU A 36 0.809 -4.749 2.380 1.00 0.00 N ATOM 501 CA LEU A 36 1.785 -4.160 1.479 1.00 0.00 C ATOM 502 C LEU A 36 3.143 -4.794 1.724 1.00 0.00 C ATOM 503 O LEU A 36 4.075 -4.617 0.944 1.00 0.00 O ATOM 504 CB LEU A 36 1.886 -2.651 1.728 1.00 0.00 C ATOM 505 CG LEU A 36 0.509 -1.983 1.590 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.583 -0.558 2.153 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.088 -1.922 0.111 1.00 0.00 C ATOM 0 H LEU A 36 0.524 -4.147 3.153 1.00 0.00 H new ATOM 0 HA LEU A 36 1.471 -4.336 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.286 -2.468 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.584 -2.206 1.018 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.226 -2.568 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.391 -0.078 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.868 -0.597 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.325 0.015 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.889 -1.446 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.821 -1.344 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.034 -2.933 -0.294 1.00 0.00 H new ATOM 519 N ASN A 37 3.239 -5.541 2.818 1.00 0.00 N ATOM 520 CA ASN A 37 4.485 -6.199 3.174 1.00 0.00 C ATOM 521 C ASN A 37 4.834 -7.304 2.195 1.00 0.00 C ATOM 522 O ASN A 37 6.001 -7.647 2.046 1.00 0.00 O ATOM 523 CB ASN A 37 4.403 -6.788 4.583 1.00 0.00 C ATOM 524 CG ASN A 37 5.740 -7.450 4.934 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.829 -6.730 4.947 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.793 -8.635 5.190 1.00 0.00 N flip ATOM 0 H ASN A 37 2.471 -5.704 3.469 1.00 0.00 H new ATOM 0 HA ASN A 37 5.267 -5.440 3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.172 -6.004 5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.597 -7.519 4.637 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.942 -9.197 5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.688 -9.069 5.415 1.00 0.00 H new ATOM 533 N SER A 38 3.835 -7.894 1.551 1.00 0.00 N ATOM 534 CA SER A 38 4.086 -8.989 0.621 1.00 0.00 C ATOM 535 C SER A 38 4.427 -8.483 -0.778 1.00 0.00 C ATOM 536 O SER A 38 4.626 -9.284 -1.692 1.00 0.00 O ATOM 537 CB SER A 38 2.833 -9.864 0.547 1.00 0.00 C ATOM 538 OG SER A 38 3.140 -11.078 -0.121 1.00 0.00 O ATOM 0 H SER A 38 2.853 -7.637 1.653 1.00 0.00 H new ATOM 0 HA SER A 38 4.941 -9.558 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.463 -10.073 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.039 -9.336 0.018 1.00 0.00 H new ATOM 0 HG SER A 38 3.633 -10.882 -0.945 1.00 0.00 H new ATOM 544 N VAL A 39 4.480 -7.160 -0.966 1.00 0.00 N ATOM 545 CA VAL A 39 4.781 -6.601 -2.293 1.00 0.00 C ATOM 546 C VAL A 39 5.647 -5.338 -2.199 1.00 0.00 C ATOM 547 O VAL A 39 5.825 -4.634 -3.192 1.00 0.00 O ATOM 548 CB VAL A 39 3.470 -6.267 -3.047 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.802 -7.562 -3.527 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.509 -5.534 -2.110 1.00 0.00 C ATOM 0 H VAL A 39 4.322 -6.467 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 39 5.341 -7.359 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 39 3.707 -5.635 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.880 -7.321 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.478 -8.093 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.573 -8.193 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.588 -5.301 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.281 -6.168 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.972 -4.610 -1.764 1.00 0.00 H new ATOM 560 N ILE A 40 6.194 -5.061 -1.010 1.00 0.00 N ATOM 561 CA ILE A 40 7.057 -3.877 -0.816 1.00 0.00 C ATOM 562 C ILE A 40 8.336 -4.249 -0.052 1.00 0.00 C ATOM 563 O ILE A 40 8.297 -5.029 0.892 1.00 0.00 O ATOM 564 CB ILE A 40 6.305 -2.751 -0.053 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.123 -2.213 -0.900 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.264 -1.609 0.306 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.573 -1.190 -1.956 1.00 0.00 C ATOM 0 H ILE A 40 6.060 -5.629 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 40 7.328 -3.509 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 40 5.907 -3.173 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.626 -3.047 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.389 -1.751 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.719 -0.830 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.064 -1.991 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.691 -1.193 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.707 -0.845 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.045 -0.341 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.286 -1.658 -2.635 1.00 0.00 H new ATOM 579 N ALA A 41 9.473 -3.675 -0.485 1.00 0.00 N ATOM 580 CA ALA A 41 10.787 -3.938 0.139 1.00 0.00 C ATOM 581 C ALA A 41 11.485 -2.625 0.536 1.00 0.00 C ATOM 582 O ALA A 41 11.328 -1.605 -0.133 1.00 0.00 O ATOM 583 CB ALA A 41 11.666 -4.705 -0.853 1.00 0.00 C ATOM 0 H ALA A 41 9.510 -3.023 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 41 10.633 -4.528 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.638 -4.903 -0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.186 -5.649 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.801 -4.109 -1.756 1.00 0.00 H new ATOM 589 N ALA A 42 12.261 -2.667 1.631 1.00 0.00 N ATOM 590 CA ALA A 42 12.999 -1.482 2.114 1.00 0.00 C ATOM 591 C ALA A 42 14.491 -1.625 1.820 1.00 0.00 C ATOM 592 O ALA A 42 15.166 -2.467 2.412 1.00 0.00 O ATOM 593 CB ALA A 42 12.816 -1.313 3.619 1.00 0.00 C ATOM 0 H ALA A 42 12.395 -3.504 2.199 1.00 0.00 H new ATOM 0 HA ALA A 42 12.602 -0.610 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.367 -0.435 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.757 -1.186 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.193 -2.197 4.133 1.00 0.00 H new ATOM 599 N VAL A 43 15.000 -0.804 0.896 1.00 0.00 N ATOM 600 CA VAL A 43 16.421 -0.849 0.522 1.00 0.00 C ATOM 601 C VAL A 43 17.071 0.526 0.647 1.00 0.00 C ATOM 602 O VAL A 43 16.901 1.389 -0.215 1.00 0.00 O ATOM 603 CB VAL A 43 16.585 -1.327 -0.931 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.074 -1.424 -1.275 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.932 -2.703 -1.085 1.00 0.00 C ATOM 0 H VAL A 43 14.454 -0.103 0.394 1.00 0.00 H new ATOM 0 HA VAL A 43 16.908 -1.546 1.204 1.00 0.00 H new ATOM 0 HB VAL A 43 16.106 -0.617 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.188 -1.763 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.538 -0.444 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.557 -2.134 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.045 -3.047 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.413 -3.412 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.872 -2.632 -0.841 1.00 0.00 H new ATOM 615 N ASP A 44 17.821 0.717 1.725 1.00 0.00 N ATOM 616 CA ASP A 44 18.509 1.980 1.961 1.00 0.00 C ATOM 617 C ASP A 44 17.509 3.113 2.181 1.00 0.00 C ATOM 618 O ASP A 44 17.777 4.264 1.838 1.00 0.00 O ATOM 619 CB ASP A 44 19.429 2.311 0.771 1.00 0.00 C ATOM 620 CG ASP A 44 20.547 3.265 1.217 1.00 0.00 C ATOM 621 OD1 ASP A 44 21.574 2.775 1.656 1.00 0.00 O ATOM 622 OD2 ASP A 44 20.354 4.466 1.114 1.00 0.00 O ATOM 0 H ASP A 44 17.968 0.014 2.449 1.00 0.00 H new ATOM 0 HA ASP A 44 19.113 1.877 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.861 1.394 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.849 2.768 -0.031 1.00 0.00 H new ATOM 627 N GLY A 45 16.360 2.785 2.765 1.00 0.00 N ATOM 628 CA GLY A 45 15.343 3.787 3.032 1.00 0.00 C ATOM 629 C GLY A 45 14.525 4.125 1.804 1.00 0.00 C ATOM 630 O GLY A 45 14.156 5.279 1.596 1.00 0.00 O ATOM 0 H GLY A 45 16.115 1.840 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.680 3.426 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.820 4.692 3.408 1.00 0.00 H new ATOM 634 N SER A 46 14.240 3.117 0.982 1.00 0.00 N ATOM 635 CA SER A 46 13.458 3.322 -0.243 1.00 0.00 C ATOM 636 C SER A 46 12.458 2.187 -0.438 1.00 0.00 C ATOM 637 O SER A 46 12.837 1.016 -0.483 1.00 0.00 O ATOM 638 CB SER A 46 14.401 3.387 -1.446 1.00 0.00 C ATOM 639 OG SER A 46 13.690 3.876 -2.576 1.00 0.00 O ATOM 0 H SER A 46 14.536 2.153 1.138 1.00 0.00 H new ATOM 0 HA SER A 46 12.908 4.259 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.247 4.038 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.807 2.398 -1.658 1.00 0.00 H new ATOM 0 HG SER A 46 14.293 3.920 -3.348 1.00 0.00 H new ATOM 645 N LEU A 47 11.176 2.538 -0.551 1.00 0.00 N ATOM 646 CA LEU A 47 10.125 1.538 -0.743 1.00 0.00 C ATOM 647 C LEU A 47 9.913 1.256 -2.224 1.00 0.00 C ATOM 648 O LEU A 47 9.529 2.141 -2.990 1.00 0.00 O ATOM 649 CB LEU A 47 8.805 2.034 -0.145 1.00 0.00 C ATOM 650 CG LEU A 47 8.950 2.295 1.360 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.654 2.936 1.866 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.206 0.981 2.120 1.00 0.00 C ATOM 0 H LEU A 47 10.842 3.501 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 47 10.440 0.623 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.494 2.949 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.023 1.294 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 47 9.798 2.958 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.737 3.130 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.483 3.875 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.818 2.260 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.306 1.190 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.370 0.300 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.124 0.521 1.753 1.00 0.00 H new ATOM 664 N LYS A 48 10.151 0.006 -2.613 1.00 0.00 N ATOM 665 CA LYS A 48 9.976 -0.432 -4.002 1.00 0.00 C ATOM 666 C LYS A 48 8.937 -1.539 -4.050 1.00 0.00 C ATOM 667 O LYS A 48 8.638 -2.139 -3.030 1.00 0.00 O ATOM 668 CB LYS A 48 11.297 -0.974 -4.543 1.00 0.00 C ATOM 669 CG LYS A 48 12.375 0.116 -4.482 1.00 0.00 C ATOM 670 CD LYS A 48 12.042 1.281 -5.462 1.00 0.00 C ATOM 671 CE LYS A 48 13.314 1.751 -6.182 1.00 0.00 C ATOM 672 NZ LYS A 48 13.078 3.086 -6.796 1.00 0.00 N ATOM 0 H LYS A 48 10.468 -0.730 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 48 9.652 0.415 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.610 -1.840 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.167 -1.312 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.452 0.501 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.345 -0.312 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.303 0.951 -6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.599 2.112 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.144 1.806 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.596 1.031 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.941 3.402 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.298 3.020 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.829 3.771 -6.054 1.00 0.00 H new ATOM 686 N TRP A 49 8.396 -1.813 -5.235 1.00 0.00 N ATOM 687 CA TRP A 49 7.390 -2.868 -5.384 1.00 0.00 C ATOM 688 C TRP A 49 8.065 -4.229 -5.493 1.00 0.00 C ATOM 689 O TRP A 49 9.230 -4.364 -5.125 1.00 0.00 O ATOM 690 CB TRP A 49 6.531 -2.586 -6.628 1.00 0.00 C ATOM 691 CG TRP A 49 5.609 -1.460 -6.313 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.696 -0.210 -6.819 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.475 -1.465 -5.408 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.693 0.563 -6.267 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.910 -0.166 -5.396 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.880 -2.466 -4.596 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.800 0.139 -4.606 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.750 -2.165 -3.800 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.213 -0.860 -3.804 1.00 0.00 C ATOM 0 H TRP A 49 8.633 -1.326 -6.099 1.00 0.00 H new ATOM 0 HA TRP A 49 6.745 -2.879 -4.505 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.165 -2.332 -7.478 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.964 -3.474 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.429 0.129 -7.536 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.549 1.551 -6.477 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.293 -3.464 -4.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.392 1.139 -4.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.299 -2.933 -3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.353 -0.627 -3.193 1.00 0.00 H new ATOM 710 N GLN A 50 7.313 -5.232 -5.979 1.00 0.00 N ATOM 711 CA GLN A 50 7.814 -6.608 -6.133 1.00 0.00 C ATOM 712 C GLN A 50 8.905 -6.928 -5.111 1.00 0.00 C ATOM 713 O GLN A 50 10.053 -7.199 -5.460 1.00 0.00 O ATOM 714 CB GLN A 50 8.323 -6.829 -7.574 1.00 0.00 C ATOM 715 CG GLN A 50 9.683 -6.106 -7.827 1.00 0.00 C ATOM 716 CD GLN A 50 9.642 -5.317 -9.143 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.819 -4.115 -9.148 1.00 0.00 O ATOM 718 NE2 GLN A 50 9.413 -5.947 -10.262 1.00 0.00 N ATOM 0 H GLN A 50 6.344 -5.112 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 50 6.987 -7.293 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.440 -7.897 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.580 -6.463 -8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.901 -5.431 -6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.489 -6.839 -7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.264 -6.956 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.383 -5.431 -11.141 1.00 0.00 H new ATOM 727 N GLY A 51 8.522 -6.897 -3.841 1.00 0.00 N ATOM 728 CA GLY A 51 9.453 -7.177 -2.767 1.00 0.00 C ATOM 729 C GLY A 51 8.741 -7.436 -1.458 1.00 0.00 C ATOM 730 O GLY A 51 7.511 -7.451 -1.404 1.00 0.00 O ATOM 0 H GLY A 51 7.574 -6.681 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.059 -8.044 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.135 -6.335 -2.649 1.00 0.00 H new ATOM 734 N SER A 52 9.515 -7.655 -0.398 1.00 0.00 N ATOM 735 CA SER A 52 8.932 -7.931 0.912 1.00 0.00 C ATOM 736 C SER A 52 9.929 -7.642 2.033 1.00 0.00 C ATOM 737 O SER A 52 11.102 -7.361 1.785 1.00 0.00 O ATOM 738 CB SER A 52 8.488 -9.397 0.973 1.00 0.00 C ATOM 739 OG SER A 52 9.505 -10.214 0.409 1.00 0.00 O ATOM 0 H SER A 52 10.535 -7.647 -0.419 1.00 0.00 H new ATOM 0 HA SER A 52 8.071 -7.278 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.299 -9.690 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.553 -9.530 0.428 1.00 0.00 H new ATOM 0 HG SER A 52 9.228 -11.153 0.446 1.00 0.00 H new ATOM 745 N ASN A 53 9.444 -7.732 3.268 1.00 0.00 N ATOM 746 CA ASN A 53 10.287 -7.501 4.436 1.00 0.00 C ATOM 747 C ASN A 53 10.729 -6.034 4.509 1.00 0.00 C ATOM 748 O ASN A 53 11.919 -5.739 4.620 1.00 0.00 O ATOM 749 CB ASN A 53 11.511 -8.448 4.361 1.00 0.00 C ATOM 750 CG ASN A 53 11.904 -8.942 5.760 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.531 -10.028 6.157 1.00 0.00 O ATOM 752 ND2 ASN A 53 12.644 -8.188 6.524 1.00 0.00 N ATOM 0 H ASN A 53 8.474 -7.963 3.485 1.00 0.00 H new ATOM 0 HA ASN A 53 9.721 -7.712 5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.279 -9.300 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.353 -7.927 3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.910 -8.510 7.455 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.957 -7.276 6.191 1.00 0.00 H new ATOM 759 N PHE A 54 9.758 -5.114 4.451 1.00 0.00 N ATOM 760 CA PHE A 54 10.050 -3.672 4.512 1.00 0.00 C ATOM 761 C PHE A 54 9.557 -3.080 5.827 1.00 0.00 C ATOM 762 O PHE A 54 10.204 -2.213 6.404 1.00 0.00 O ATOM 763 CB PHE A 54 9.379 -2.957 3.309 1.00 0.00 C ATOM 764 CG PHE A 54 8.001 -2.422 3.656 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.873 -1.202 4.345 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.856 -3.139 3.276 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.592 -0.697 4.658 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.570 -2.641 3.586 1.00 0.00 C ATOM 769 CZ PHE A 54 5.439 -1.418 4.279 1.00 0.00 C ATOM 0 H PHE A 54 8.767 -5.339 4.362 1.00 0.00 H new ATOM 0 HA PHE A 54 11.129 -3.525 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.013 -2.135 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.297 -3.653 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.756 -0.651 4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.958 -4.074 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.494 0.240 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.690 -3.195 3.294 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.458 -1.035 4.519 1.00 0.00 H new ATOM 779 N ILE A 55 8.421 -3.581 6.291 1.00 0.00 N ATOM 780 CA ILE A 55 7.847 -3.104 7.542 1.00 0.00 C ATOM 781 C ILE A 55 8.790 -3.410 8.692 1.00 0.00 C ATOM 782 O ILE A 55 8.877 -2.653 9.658 1.00 0.00 O ATOM 783 CB ILE A 55 6.480 -3.763 7.814 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.880 -3.239 9.137 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.654 -5.280 7.908 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.731 -1.702 9.098 1.00 0.00 C ATOM 0 H ILE A 55 7.882 -4.311 5.825 1.00 0.00 H new ATOM 0 HA ILE A 55 7.702 -2.027 7.457 1.00 0.00 H new ATOM 0 HB ILE A 55 5.805 -3.515 6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.907 -3.699 9.308 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.520 -3.526 9.971 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.688 -5.746 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.059 -5.659 6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.340 -5.518 8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.307 -1.354 10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.710 -1.245 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.072 -1.421 8.277 1.00 0.00 H new ATOM 798 N GLU A 56 9.503 -4.521 8.571 1.00 0.00 N ATOM 799 CA GLU A 56 10.453 -4.920 9.596 1.00 0.00 C ATOM 800 C GLU A 56 11.450 -3.792 9.837 1.00 0.00 C ATOM 801 O GLU A 56 12.044 -3.692 10.911 1.00 0.00 O ATOM 802 CB GLU A 56 11.201 -6.187 9.133 1.00 0.00 C ATOM 803 CG GLU A 56 10.314 -7.460 9.313 1.00 0.00 C ATOM 804 CD GLU A 56 10.872 -8.350 10.435 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.849 -9.038 10.185 1.00 0.00 O ATOM 806 OE2 GLU A 56 10.316 -8.323 11.520 1.00 0.00 O ATOM 0 H GLU A 56 9.441 -5.158 7.777 1.00 0.00 H new ATOM 0 HA GLU A 56 9.922 -5.131 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.485 -6.083 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.123 -6.298 9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.291 -7.167 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.279 -8.021 8.379 1.00 0.00 H new ATOM 813 N ALA A 57 11.630 -2.950 8.819 1.00 0.00 N ATOM 814 CA ALA A 57 12.565 -1.826 8.899 1.00 0.00 C ATOM 815 C ALA A 57 11.855 -0.501 8.653 1.00 0.00 C ATOM 816 O ALA A 57 12.493 0.473 8.262 1.00 0.00 O ATOM 817 CB ALA A 57 13.666 -2.010 7.866 1.00 0.00 C ATOM 0 H ALA A 57 11.140 -3.025 7.928 1.00 0.00 H new ATOM 0 HA ALA A 57 12.991 -1.805 9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.363 -1.174 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.198 -2.941 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.227 -2.048 6.869 1.00 0.00 H new ATOM 823 N CYS A 58 10.532 -0.460 8.875 1.00 0.00 N ATOM 824 CA CYS A 58 9.759 0.776 8.663 1.00 0.00 C ATOM 825 C CYS A 58 8.786 1.023 9.813 1.00 0.00 C ATOM 826 O CYS A 58 8.455 0.116 10.575 1.00 0.00 O ATOM 827 CB CYS A 58 8.982 0.698 7.319 1.00 0.00 C ATOM 828 SG CYS A 58 9.461 2.048 6.201 1.00 0.00 S ATOM 0 H CYS A 58 9.981 -1.256 9.197 1.00 0.00 H new ATOM 0 HA CYS A 58 10.461 1.609 8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.177 -0.261 6.839 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.910 0.746 7.513 1.00 0.00 H new ATOM 833 N ARG A 59 8.317 2.267 9.904 1.00 0.00 N ATOM 834 CA ARG A 59 7.360 2.656 10.932 1.00 0.00 C ATOM 835 C ARG A 59 6.614 3.918 10.506 1.00 0.00 C ATOM 836 O ARG A 59 6.961 4.545 9.505 1.00 0.00 O ATOM 837 CB ARG A 59 8.062 2.882 12.286 1.00 0.00 C ATOM 838 CG ARG A 59 9.097 4.046 12.221 1.00 0.00 C ATOM 839 CD ARG A 59 10.508 3.522 11.919 1.00 0.00 C ATOM 840 NE ARG A 59 11.485 4.636 12.089 1.00 0.00 N ATOM 841 CZ ARG A 59 11.770 5.079 13.285 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.335 4.442 14.339 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.490 6.158 13.428 1.00 0.00 N ATOM 0 H ARG A 59 8.587 3.023 9.275 1.00 0.00 H new ATOM 0 HA ARG A 59 6.643 1.844 11.054 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.315 3.103 13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.567 1.965 12.590 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.799 4.758 11.451 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.102 4.584 13.169 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.755 2.698 12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.555 3.131 10.903 1.00 0.00 H new ATOM 0 HE ARG A 59 11.931 5.052 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.773 3.598 14.229 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.558 4.788 15.272 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.831 6.656 12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.712 6.503 14.362 1.00 0.00 H new ATOM 857 N ASN A 60 5.597 4.289 11.273 1.00 0.00 N ATOM 858 CA ASN A 60 4.819 5.481 10.962 1.00 0.00 C ATOM 859 C ASN A 60 4.337 5.447 9.520 1.00 0.00 C ATOM 860 O ASN A 60 4.675 6.325 8.727 1.00 0.00 O ATOM 861 CB ASN A 60 5.671 6.733 11.170 1.00 0.00 C ATOM 862 CG ASN A 60 5.995 6.895 12.653 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.116 6.823 13.489 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.228 7.113 13.016 1.00 0.00 N ATOM 0 H ASN A 60 5.294 3.787 12.107 1.00 0.00 H new ATOM 0 HA ASN A 60 3.957 5.505 11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.593 6.657 10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.138 7.612 10.806 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.457 7.224 14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.964 7.173 12.312 1.00 0.00 H new ATOM 871 N THR A 61 3.535 4.442 9.180 1.00 0.00 N ATOM 872 CA THR A 61 3.001 4.318 7.826 1.00 0.00 C ATOM 873 C THR A 61 1.580 4.870 7.789 1.00 0.00 C ATOM 874 O THR A 61 0.819 4.702 8.741 1.00 0.00 O ATOM 875 CB THR A 61 2.997 2.836 7.384 1.00 0.00 C ATOM 876 OG1 THR A 61 1.802 2.216 7.833 1.00 0.00 O ATOM 877 CG2 THR A 61 4.210 2.099 7.985 1.00 0.00 C ATOM 0 H THR A 61 3.241 3.704 9.820 1.00 0.00 H new ATOM 0 HA THR A 61 3.632 4.885 7.142 1.00 0.00 H new ATOM 0 HB THR A 61 3.055 2.789 6.297 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.636 1.406 7.307 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.197 1.057 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.130 2.572 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.162 2.147 9.073 1.00 0.00 H new ATOM 885 N GLN A 62 1.229 5.545 6.696 1.00 0.00 N ATOM 886 CA GLN A 62 -0.103 6.135 6.570 1.00 0.00 C ATOM 887 C GLN A 62 -0.468 6.368 5.107 1.00 0.00 C ATOM 888 O GLN A 62 0.335 6.132 4.205 1.00 0.00 O ATOM 889 CB GLN A 62 -0.139 7.482 7.309 1.00 0.00 C ATOM 890 CG GLN A 62 1.061 8.365 6.868 1.00 0.00 C ATOM 891 CD GLN A 62 0.661 9.847 6.847 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.047 10.338 7.773 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.983 10.579 5.816 1.00 0.00 N ATOM 0 H GLN A 62 1.840 5.696 5.893 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.822 5.441 7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.076 7.997 7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.102 7.316 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.898 8.218 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.400 8.060 5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.499 10.166 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.719 11.564 5.787 1.00 0.00 H new ATOM 902 N LEU A 63 -1.691 6.856 4.895 1.00 0.00 N ATOM 903 CA LEU A 63 -2.190 7.153 3.552 1.00 0.00 C ATOM 904 C LEU A 63 -1.940 8.621 3.222 1.00 0.00 C ATOM 905 O LEU A 63 -2.296 9.503 4.002 1.00 0.00 O ATOM 906 CB LEU A 63 -3.699 6.877 3.494 1.00 0.00 C ATOM 907 CG LEU A 63 -4.199 6.891 2.030 1.00 0.00 C ATOM 908 CD1 LEU A 63 -3.919 5.542 1.341 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.709 7.156 2.012 1.00 0.00 C ATOM 0 H LEU A 63 -2.357 7.055 5.641 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.670 6.523 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.915 5.910 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.234 7.629 4.074 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.669 7.677 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.280 5.577 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.846 5.348 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.433 4.745 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.064 7.166 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.223 6.370 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.915 8.120 2.477 1.00 0.00 H new ATOM 921 N ALA A 64 -1.333 8.879 2.063 1.00 0.00 N ATOM 922 CA ALA A 64 -1.039 10.252 1.633 1.00 0.00 C ATOM 923 C ALA A 64 -1.744 10.557 0.310 1.00 0.00 C ATOM 924 O ALA A 64 -1.663 9.785 -0.643 1.00 0.00 O ATOM 925 CB ALA A 64 0.477 10.421 1.491 1.00 0.00 C ATOM 0 H ALA A 64 -1.035 8.159 1.405 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.408 10.955 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.701 11.439 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.956 10.228 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.854 9.717 0.749 1.00 0.00 H new ATOM 931 N GLY A 65 -2.439 11.691 0.265 1.00 0.00 N ATOM 932 CA GLY A 65 -3.150 12.099 -0.936 1.00 0.00 C ATOM 933 C GLY A 65 -4.433 11.316 -1.155 1.00 0.00 C ATOM 934 O GLY A 65 -5.502 11.901 -1.307 1.00 0.00 O ATOM 0 H GLY A 65 -2.523 12.340 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.385 13.161 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.499 11.969 -1.800 1.00 0.00 H new ATOM 938 N SER A 66 -4.317 9.989 -1.147 1.00 0.00 N ATOM 939 CA SER A 66 -5.476 9.107 -1.332 1.00 0.00 C ATOM 940 C SER A 66 -5.032 7.704 -1.739 1.00 0.00 C ATOM 941 O SER A 66 -5.602 6.713 -1.286 1.00 0.00 O ATOM 942 CB SER A 66 -6.429 9.663 -2.407 1.00 0.00 C ATOM 943 OG SER A 66 -7.170 8.594 -2.983 1.00 0.00 O ATOM 0 H SER A 66 -3.433 9.498 -1.015 1.00 0.00 H new ATOM 0 HA SER A 66 -6.001 9.058 -0.378 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.107 10.393 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.861 10.183 -3.178 1.00 0.00 H new ATOM 0 HG SER A 66 -7.777 8.948 -3.666 1.00 0.00 H new ATOM 949 N SER A 67 -4.025 7.624 -2.615 1.00 0.00 N ATOM 950 CA SER A 67 -3.524 6.328 -3.095 1.00 0.00 C ATOM 951 C SER A 67 -2.005 6.253 -2.990 1.00 0.00 C ATOM 952 O SER A 67 -1.367 5.534 -3.753 1.00 0.00 O ATOM 953 CB SER A 67 -3.945 6.116 -4.557 1.00 0.00 C ATOM 954 OG SER A 67 -2.928 6.605 -5.423 1.00 0.00 O ATOM 0 H SER A 67 -3.543 8.434 -3.005 1.00 0.00 H new ATOM 0 HA SER A 67 -3.954 5.546 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.119 5.057 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.884 6.633 -4.754 1.00 0.00 H new ATOM 0 HG SER A 67 -2.122 6.056 -5.324 1.00 0.00 H new ATOM 960 N GLU A 68 -1.429 6.983 -2.032 1.00 0.00 N ATOM 961 CA GLU A 68 0.026 6.970 -1.821 1.00 0.00 C ATOM 962 C GLU A 68 0.325 6.447 -0.423 1.00 0.00 C ATOM 963 O GLU A 68 -0.478 6.613 0.496 1.00 0.00 O ATOM 964 CB GLU A 68 0.620 8.377 -2.001 1.00 0.00 C ATOM 965 CG GLU A 68 -0.048 9.073 -3.189 1.00 0.00 C ATOM 966 CD GLU A 68 0.620 10.431 -3.422 1.00 0.00 C ATOM 967 OE1 GLU A 68 0.708 11.196 -2.475 1.00 0.00 O ATOM 968 OE2 GLU A 68 1.034 10.681 -4.541 1.00 0.00 O ATOM 0 H GLU A 68 -1.942 7.589 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 68 0.485 6.316 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.472 8.963 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.695 8.310 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.038 8.455 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.112 9.207 -2.995 1.00 0.00 H new ATOM 975 N LEU A 69 1.483 5.802 -0.272 1.00 0.00 N ATOM 976 CA LEU A 69 1.892 5.233 1.017 1.00 0.00 C ATOM 977 C LEU A 69 3.129 5.938 1.534 1.00 0.00 C ATOM 978 O LEU A 69 4.230 5.734 1.028 1.00 0.00 O ATOM 979 CB LEU A 69 2.166 3.727 0.838 1.00 0.00 C ATOM 980 CG LEU A 69 2.766 3.058 2.110 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.294 3.307 2.253 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.033 3.549 3.366 1.00 0.00 C ATOM 0 H LEU A 69 2.156 5.660 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 69 1.094 5.371 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.236 3.224 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.852 3.586 0.003 1.00 0.00 H new ATOM 0 HG LEU A 69 2.624 1.983 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.659 2.818 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.812 2.899 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.484 4.378 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.463 3.073 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.139 4.631 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.976 3.292 3.294 1.00 0.00 H new ATOM 994 N ALA A 70 2.942 6.760 2.564 1.00 0.00 N ATOM 995 CA ALA A 70 4.048 7.490 3.176 1.00 0.00 C ATOM 996 C ALA A 70 4.490 6.766 4.439 1.00 0.00 C ATOM 997 O ALA A 70 3.664 6.354 5.254 1.00 0.00 O ATOM 998 CB ALA A 70 3.606 8.906 3.516 1.00 0.00 C ATOM 0 H ALA A 70 2.033 6.937 2.992 1.00 0.00 H new ATOM 0 HA ALA A 70 4.883 7.540 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.435 9.446 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.296 9.419 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.770 8.868 4.214 1.00 0.00 H new ATOM 1004 N ALA A 71 5.795 6.610 4.594 1.00 0.00 N ATOM 1005 CA ALA A 71 6.337 5.931 5.761 1.00 0.00 C ATOM 1006 C ALA A 71 7.820 6.227 5.892 1.00 0.00 C ATOM 1007 O ALA A 71 8.412 6.875 5.029 1.00 0.00 O ATOM 1008 CB ALA A 71 6.122 4.431 5.636 1.00 0.00 C ATOM 0 H ALA A 71 6.495 6.942 3.931 1.00 0.00 H new ATOM 0 HA ALA A 71 5.821 6.293 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.531 3.930 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.055 4.221 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.626 4.064 4.742 1.00 0.00 H new ATOM 1014 N GLU A 72 8.415 5.746 6.979 1.00 0.00 N ATOM 1015 CA GLU A 72 9.841 5.952 7.237 1.00 0.00 C ATOM 1016 C GLU A 72 10.551 4.607 7.295 1.00 0.00 C ATOM 1017 O GLU A 72 10.208 3.777 8.124 1.00 0.00 O ATOM 1018 CB GLU A 72 10.018 6.691 8.575 1.00 0.00 C ATOM 1019 CG GLU A 72 9.771 8.201 8.407 1.00 0.00 C ATOM 1020 CD GLU A 72 10.291 8.945 9.643 1.00 0.00 C ATOM 1021 OE1 GLU A 72 10.112 8.435 10.736 1.00 0.00 O ATOM 1022 OE2 GLU A 72 10.864 10.009 9.471 1.00 0.00 O ATOM 0 H GLU A 72 7.932 5.209 7.699 1.00 0.00 H new ATOM 0 HA GLU A 72 10.272 6.550 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.326 6.285 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.025 6.524 8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.275 8.565 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.706 8.394 8.275 1.00 0.00 H new ATOM 1029 N CYS A 73 11.566 4.413 6.435 1.00 0.00 N ATOM 1030 CA CYS A 73 12.344 3.159 6.413 1.00 0.00 C ATOM 1031 C CYS A 73 13.807 3.444 6.754 1.00 0.00 C ATOM 1032 O CYS A 73 14.356 4.483 6.388 1.00 0.00 O ATOM 1033 CB CYS A 73 12.232 2.479 5.029 1.00 0.00 C ATOM 1034 SG CYS A 73 10.900 1.246 5.036 1.00 0.00 S ATOM 0 H CYS A 73 11.867 5.104 5.748 1.00 0.00 H new ATOM 0 HA CYS A 73 11.937 2.480 7.162 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.038 3.229 4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.178 2.001 4.774 1.00 0.00 H new ATOM 1039 N LYS A 74 14.415 2.511 7.480 1.00 0.00 N ATOM 1040 CA LYS A 74 15.803 2.650 7.911 1.00 0.00 C ATOM 1041 C LYS A 74 16.786 2.452 6.752 1.00 0.00 C ATOM 1042 O LYS A 74 16.675 1.506 5.973 1.00 0.00 O ATOM 1043 CB LYS A 74 16.083 1.638 9.052 1.00 0.00 C ATOM 1044 CG LYS A 74 16.836 2.320 10.200 1.00 0.00 C ATOM 1045 CD LYS A 74 17.106 1.304 11.312 1.00 0.00 C ATOM 1046 CE LYS A 74 17.835 1.987 12.472 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.414 0.949 13.369 1.00 0.00 N ATOM 0 H LYS A 74 13.966 1.647 7.784 1.00 0.00 H new ATOM 0 HA LYS A 74 15.952 3.666 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.143 1.226 9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.670 0.803 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.776 2.734 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.250 3.153 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.167 0.876 11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.707 0.481 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.624 2.635 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.144 2.620 13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.910 1.410 14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.651 0.349 13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.085 0.363 12.833 1.00 0.00 H new ATOM 1061 N THR A 75 17.737 3.376 6.653 1.00 0.00 N ATOM 1062 CA THR A 75 18.746 3.335 5.599 1.00 0.00 C ATOM 1063 C THR A 75 19.815 2.290 5.910 1.00 0.00 C ATOM 1064 O THR A 75 19.853 1.730 7.006 1.00 0.00 O ATOM 1065 CB THR A 75 19.427 4.712 5.430 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.847 5.190 6.699 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.441 5.711 4.809 1.00 0.00 C ATOM 0 H THR A 75 17.830 4.165 7.292 1.00 0.00 H new ATOM 0 HA THR A 75 18.236 3.069 4.673 1.00 0.00 H new ATOM 0 HB THR A 75 20.290 4.606 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.132 5.728 7.099 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.928 6.679 4.693 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.121 5.347 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.573 5.817 5.459 1.00 0.00 H new ATOM 1075 N ALA A 76 20.679 2.031 4.934 1.00 0.00 N ATOM 1076 CA ALA A 76 21.744 1.049 5.107 1.00 0.00 C ATOM 1077 C ALA A 76 22.664 1.451 6.254 1.00 0.00 C ATOM 1078 O ALA A 76 23.317 0.605 6.866 1.00 0.00 O ATOM 1079 CB ALA A 76 22.545 0.928 3.820 1.00 0.00 C ATOM 0 H ALA A 76 20.664 2.484 4.020 1.00 0.00 H new ATOM 0 HA ALA A 76 21.294 0.085 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.339 0.194 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.888 0.609 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.983 1.895 3.572 1.00 0.00 H new ATOM 1085 N ALA A 77 22.715 2.751 6.535 1.00 0.00 N ATOM 1086 CA ALA A 77 23.563 3.271 7.607 1.00 0.00 C ATOM 1087 C ALA A 77 22.839 3.234 8.947 1.00 0.00 C ATOM 1088 O ALA A 77 23.465 3.362 9.999 1.00 0.00 O ATOM 1089 CB ALA A 77 23.967 4.701 7.288 1.00 0.00 C ATOM 0 H ALA A 77 22.181 3.463 6.037 1.00 0.00 H new ATOM 0 HA ALA A 77 24.450 2.641 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.599 5.088 8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.518 4.722 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.074 5.320 7.200 1.00 0.00 H new ATOM 1095 N GLY A 78 21.516 3.045 8.916 1.00 0.00 N ATOM 1096 CA GLY A 78 20.727 2.986 10.141 1.00 0.00 C ATOM 1097 C GLY A 78 19.977 4.283 10.416 1.00 0.00 C ATOM 1098 O GLY A 78 19.775 4.647 11.574 1.00 0.00 O ATOM 0 H GLY A 78 20.975 2.931 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.013 2.165 10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.384 2.765 10.982 1.00 0.00 H new ATOM 1102 N GLN A 79 19.551 4.983 9.352 1.00 0.00 N ATOM 1103 CA GLN A 79 18.806 6.251 9.504 1.00 0.00 C ATOM 1104 C GLN A 79 17.464 6.182 8.774 1.00 0.00 C ATOM 1105 O GLN A 79 17.385 5.786 7.615 1.00 0.00 O ATOM 1106 CB GLN A 79 19.629 7.439 8.949 1.00 0.00 C ATOM 1107 CG GLN A 79 20.653 7.951 9.992 1.00 0.00 C ATOM 1108 CD GLN A 79 21.016 9.409 9.688 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.515 10.316 10.323 1.00 0.00 O ATOM 1110 NE2 GLN A 79 21.865 9.672 8.734 1.00 0.00 N ATOM 0 H GLN A 79 19.706 4.699 8.385 1.00 0.00 H new ATOM 0 HA GLN A 79 18.627 6.404 10.568 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.152 7.130 8.044 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.957 8.250 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.235 7.872 10.995 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.549 7.331 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 79 22.285 8.911 8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.109 10.639 8.521 1.00 0.00 H new ATOM 1119 N PHE A 80 16.419 6.593 9.479 1.00 0.00 N ATOM 1120 CA PHE A 80 15.065 6.599 8.935 1.00 0.00 C ATOM 1121 C PHE A 80 14.818 7.844 8.076 1.00 0.00 C ATOM 1122 O PHE A 80 14.861 8.969 8.569 1.00 0.00 O ATOM 1123 CB PHE A 80 14.067 6.565 10.103 1.00 0.00 C ATOM 1124 CG PHE A 80 13.968 5.161 10.677 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.270 4.157 9.970 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.561 4.859 11.925 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.167 2.855 10.510 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.459 3.557 12.461 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.763 2.555 11.753 1.00 0.00 C ATOM 0 H PHE A 80 16.483 6.930 10.439 1.00 0.00 H new ATOM 0 HA PHE A 80 14.934 5.724 8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.384 7.261 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.086 6.894 9.761 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.815 4.384 9.017 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.093 5.626 12.469 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.631 2.088 9.970 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.914 3.328 13.413 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.686 1.559 12.162 1.00 0.00 H new ATOM 1139 N VAL A 81 14.543 7.627 6.786 1.00 0.00 N ATOM 1140 CA VAL A 81 14.263 8.727 5.848 1.00 0.00 C ATOM 1141 C VAL A 81 12.780 8.719 5.494 1.00 0.00 C ATOM 1142 O VAL A 81 12.045 7.864 5.965 1.00 0.00 O ATOM 1143 CB VAL A 81 15.081 8.575 4.554 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.562 8.802 4.857 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.888 7.166 3.995 1.00 0.00 C ATOM 0 H VAL A 81 14.507 6.699 6.364 1.00 0.00 H new ATOM 0 HA VAL A 81 14.539 9.665 6.329 1.00 0.00 H new ATOM 0 HB VAL A 81 14.743 9.308 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.142 8.694 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.702 9.806 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.900 8.068 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.467 7.056 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.227 6.434 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.832 7.001 3.780 1.00 0.00 H new ATOM 1155 N SER A 82 12.339 9.658 4.655 1.00 0.00 N ATOM 1156 CA SER A 82 10.925 9.719 4.255 1.00 0.00 C ATOM 1157 C SER A 82 10.720 9.014 2.919 1.00 0.00 C ATOM 1158 O SER A 82 11.203 9.480 1.887 1.00 0.00 O ATOM 1159 CB SER A 82 10.482 11.185 4.132 1.00 0.00 C ATOM 1160 OG SER A 82 10.226 11.707 5.428 1.00 0.00 O ATOM 0 H SER A 82 12.929 10.380 4.242 1.00 0.00 H new ATOM 0 HA SER A 82 10.326 9.218 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.257 11.771 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.586 11.256 3.515 1.00 0.00 H new ATOM 0 HG SER A 82 9.945 12.643 5.354 1.00 0.00 H new ATOM 1166 N THR A 83 10.012 7.882 2.940 1.00 0.00 N ATOM 1167 CA THR A 83 9.758 7.116 1.717 1.00 0.00 C ATOM 1168 C THR A 83 8.301 7.213 1.295 1.00 0.00 C ATOM 1169 O THR A 83 7.394 7.260 2.128 1.00 0.00 O ATOM 1170 CB THR A 83 10.094 5.630 1.919 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.087 5.029 2.724 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.458 5.481 2.609 1.00 0.00 C ATOM 0 H THR A 83 9.607 7.478 3.784 1.00 0.00 H new ATOM 0 HA THR A 83 10.395 7.544 0.943 1.00 0.00 H new ATOM 0 HB THR A 83 10.136 5.138 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.868 5.624 3.472 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.683 4.423 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.230 5.939 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.430 5.974 3.580 1.00 0.00 H new ATOM 1180 N LYS A 84 8.092 7.240 -0.018 1.00 0.00 N ATOM 1181 CA LYS A 84 6.752 7.330 -0.592 1.00 0.00 C ATOM 1182 C LYS A 84 6.640 6.424 -1.809 1.00 0.00 C ATOM 1183 O LYS A 84 7.638 6.106 -2.455 1.00 0.00 O ATOM 1184 CB LYS A 84 6.451 8.785 -0.997 1.00 0.00 C ATOM 1185 CG LYS A 84 7.560 9.348 -1.938 1.00 0.00 C ATOM 1186 CD LYS A 84 7.113 9.284 -3.410 1.00 0.00 C ATOM 1187 CE LYS A 84 8.293 9.621 -4.327 1.00 0.00 C ATOM 1188 NZ LYS A 84 8.658 11.057 -4.167 1.00 0.00 N ATOM 0 H LYS A 84 8.840 7.200 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 84 6.028 7.009 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.485 8.833 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.378 9.406 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.785 10.379 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.479 8.776 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.734 8.289 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.296 9.984 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.147 8.989 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.030 9.416 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.365 11.317 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.810 11.646 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.054 11.211 -3.218 1.00 0.00 H new ATOM 1202 N ILE A 85 5.420 6.016 -2.119 1.00 0.00 N ATOM 1203 CA ILE A 85 5.180 5.153 -3.263 1.00 0.00 C ATOM 1204 C ILE A 85 3.689 5.152 -3.584 1.00 0.00 C ATOM 1205 O ILE A 85 2.851 5.178 -2.682 1.00 0.00 O ATOM 1206 CB ILE A 85 5.693 3.724 -2.983 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.617 2.872 -4.259 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.869 3.077 -1.875 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.412 1.551 -4.082 1.00 0.00 C ATOM 0 H ILE A 85 4.582 6.268 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 85 5.727 5.531 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 85 6.733 3.784 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.576 2.648 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.018 3.434 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.240 2.070 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.953 3.671 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.824 3.027 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.346 0.961 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.457 1.780 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.992 0.982 -3.252 1.00 0.00 H new ATOM 1221 N ASN A 86 3.362 5.145 -4.873 1.00 0.00 N ATOM 1222 CA ASN A 86 1.965 5.175 -5.305 1.00 0.00 C ATOM 1223 C ASN A 86 1.352 3.775 -5.245 1.00 0.00 C ATOM 1224 O ASN A 86 1.778 2.874 -5.962 1.00 0.00 O ATOM 1225 CB ASN A 86 1.896 5.756 -6.740 1.00 0.00 C ATOM 1226 CG ASN A 86 0.700 6.709 -6.884 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.393 6.471 -6.212 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.769 7.681 -7.610 1.00 0.00 N flip ATOM 0 H ASN A 86 4.040 5.119 -5.634 1.00 0.00 H new ATOM 0 HA ASN A 86 1.387 5.811 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.820 6.288 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.809 4.944 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.624 7.866 -8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.028 8.312 -7.695 1.00 0.00 H new ATOM 1235 N LEU A 87 0.328 3.621 -4.406 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.368 2.347 -4.257 1.00 0.00 C ATOM 1237 C LEU A 87 -1.097 1.983 -5.545 1.00 0.00 C ATOM 1238 O LEU A 87 -1.258 0.810 -5.871 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.364 2.466 -3.102 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.600 2.658 -1.771 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.566 3.145 -0.663 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.080 1.330 -1.337 1.00 0.00 C ATOM 0 H LEU A 87 -0.038 4.369 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 87 0.354 1.559 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.034 3.309 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.984 1.571 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 87 0.172 3.412 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.015 3.276 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.010 4.096 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.354 2.407 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.613 1.484 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.679 0.560 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.784 1.013 -2.106 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.522 2.998 -6.281 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.224 2.772 -7.537 1.00 0.00 C ATOM 1256 C ASP A 88 -1.302 2.133 -8.568 1.00 0.00 C ATOM 1257 O ASP A 88 -1.759 1.628 -9.592 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.740 4.098 -8.094 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.590 5.091 -8.208 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.455 4.664 -8.100 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.864 6.262 -8.413 1.00 0.00 O ATOM 0 H ASP A 88 -1.395 3.979 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.059 2.100 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.195 3.940 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.516 4.499 -7.443 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.004 2.179 -8.302 1.00 0.00 N ATOM 1267 CA ASP A 89 0.974 1.622 -9.227 1.00 0.00 C ATOM 1268 C ASP A 89 0.723 0.132 -9.471 1.00 0.00 C ATOM 1269 O ASP A 89 1.097 -0.400 -10.517 1.00 0.00 O ATOM 1270 CB ASP A 89 2.391 1.840 -8.677 1.00 0.00 C ATOM 1271 CG ASP A 89 3.418 1.707 -9.805 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.877 0.601 -10.038 1.00 0.00 O ATOM 1273 OD2 ASP A 89 3.728 2.717 -10.417 1.00 0.00 O ATOM 0 H ASP A 89 0.395 2.593 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 89 0.874 2.137 -10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.465 2.827 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.602 1.111 -7.894 1.00 0.00 H new ATOM 1278 N HIS A 90 0.084 -0.542 -8.509 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.206 -1.975 -8.651 1.00 0.00 C ATOM 1280 C HIS A 90 -1.498 -2.357 -7.931 1.00 0.00 C ATOM 1281 O HIS A 90 -2.296 -3.132 -8.456 1.00 0.00 O ATOM 1282 CB HIS A 90 0.941 -2.811 -8.085 1.00 0.00 C ATOM 1283 CG HIS A 90 2.201 -2.561 -8.869 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.517 -3.278 -10.012 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.241 -1.686 -8.675 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.704 -2.827 -10.458 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.188 -1.857 -9.679 1.00 0.00 N ATOM 0 H HIS A 90 -0.239 -0.127 -7.635 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.322 -2.177 -9.716 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.101 -2.560 -7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.683 -3.869 -8.124 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.313 -0.974 -7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.204 -3.204 -11.338 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.065 -1.350 -9.795 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.702 -1.824 -6.726 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.912 -2.144 -5.970 1.00 0.00 C ATOM 1297 C ILE A 91 -4.145 -1.873 -6.821 1.00 0.00 C ATOM 1298 O ILE A 91 -4.403 -0.735 -7.213 1.00 0.00 O ATOM 1299 CB ILE A 91 -3.022 -1.304 -4.677 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.735 -1.444 -3.824 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.263 -1.751 -3.875 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.328 -2.914 -3.659 1.00 0.00 C ATOM 0 H ILE A 91 -1.060 -1.182 -6.261 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.852 -3.199 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.133 -0.253 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.923 -0.891 -4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.897 -0.998 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.340 -1.158 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.158 -1.605 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.168 -2.805 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.422 -2.975 -3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.131 -3.461 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.141 -3.352 -4.639 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.910 -2.929 -7.101 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.132 -2.822 -7.907 1.00 0.00 C ATOM 1316 C ALA A 92 -7.340 -3.204 -7.067 1.00 0.00 C ATOM 1317 O ALA A 92 -7.212 -3.517 -5.883 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.042 -3.750 -9.106 1.00 0.00 C ATOM 0 H ALA A 92 -4.705 -3.875 -6.780 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.239 -1.793 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.952 -3.666 -9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.183 -3.473 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.927 -4.778 -8.763 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.514 -3.184 -7.694 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.763 -3.537 -7.015 1.00 0.00 C ATOM 1326 C ASN A 93 -10.462 -4.669 -7.756 1.00 0.00 C ATOM 1327 O ASN A 93 -10.869 -4.510 -8.906 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.683 -2.326 -6.975 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.914 -2.649 -6.126 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.794 -3.160 -5.030 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.101 -2.370 -6.590 1.00 0.00 N ATOM 0 H ASN A 93 -8.629 -2.927 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.531 -3.860 -6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.155 -1.468 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.986 -2.053 -7.986 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.929 -2.581 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.201 -1.941 -7.510 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.602 -5.815 -7.088 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.258 -6.987 -7.677 1.00 0.00 C ATOM 1340 C ILE A 94 -12.569 -7.273 -6.946 1.00 0.00 C ATOM 1341 O ILE A 94 -12.572 -7.554 -5.748 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.347 -8.231 -7.560 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.927 -7.886 -8.064 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.944 -9.419 -8.356 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.966 -7.323 -9.491 1.00 0.00 C ATOM 0 H ILE A 94 -10.269 -5.958 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.454 -6.775 -8.728 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.283 -8.529 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.468 -7.158 -7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.303 -8.779 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.289 -10.285 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.929 -9.664 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.034 -9.144 -9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.953 -7.090 -9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.403 -8.063 -10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.570 -6.416 -9.508 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.676 -7.193 -7.676 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.997 -7.439 -7.098 1.00 0.00 C ATOM 1359 C ASP A 95 -15.165 -6.705 -5.765 1.00 0.00 C ATOM 1360 O ASP A 95 -15.893 -7.160 -4.882 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.226 -8.946 -6.912 1.00 0.00 C ATOM 1362 CG ASP A 95 -14.378 -9.478 -5.753 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -14.817 -9.361 -4.622 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -13.305 -9.995 -6.018 1.00 0.00 O ATOM 0 H ASP A 95 -13.687 -6.960 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.745 -7.052 -7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -16.281 -9.138 -6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.970 -9.475 -7.830 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.496 -5.559 -5.639 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.577 -4.746 -4.430 1.00 0.00 C ATOM 1371 C GLY A 96 -13.585 -5.163 -3.367 1.00 0.00 C ATOM 1372 O GLY A 96 -13.775 -4.870 -2.186 1.00 0.00 O ATOM 0 H GLY A 96 -13.890 -5.173 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.405 -3.701 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.586 -4.811 -4.023 1.00 0.00 H new ATOM 1376 N THR A 97 -12.518 -5.841 -3.783 1.00 0.00 N ATOM 1377 CA THR A 97 -11.477 -6.295 -2.854 1.00 0.00 C ATOM 1378 C THR A 97 -10.130 -5.739 -3.289 1.00 0.00 C ATOM 1379 O THR A 97 -9.886 -5.573 -4.476 1.00 0.00 O ATOM 1380 CB THR A 97 -11.390 -7.832 -2.834 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.983 -8.296 -4.112 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.760 -8.418 -2.489 1.00 0.00 C ATOM 0 H THR A 97 -12.348 -6.090 -4.757 1.00 0.00 H new ATOM 0 HA THR A 97 -11.733 -5.939 -1.856 1.00 0.00 H new ATOM 0 HB THR A 97 -10.664 -8.146 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.753 -8.303 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.697 -9.506 -2.475 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.072 -8.060 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.488 -8.106 -3.238 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.249 -5.458 -2.332 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.926 -4.923 -2.657 1.00 0.00 C ATOM 1392 C LEU A 98 -6.947 -6.058 -2.923 1.00 0.00 C ATOM 1393 O LEU A 98 -6.793 -6.964 -2.104 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.404 -4.069 -1.497 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.442 -3.006 -1.104 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.992 -2.325 0.190 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.575 -1.951 -2.216 1.00 0.00 C ATOM 0 H LEU A 98 -9.422 -5.589 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.015 -4.307 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.183 -4.705 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.470 -3.586 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.409 -3.487 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.723 -1.569 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.909 -3.069 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.023 -1.852 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.314 -1.205 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.612 -1.466 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.894 -2.434 -3.140 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.284 -6.002 -4.077 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.311 -7.029 -4.455 1.00 0.00 C ATOM 1411 C LYS A 99 -4.211 -6.424 -5.316 1.00 0.00 C ATOM 1412 O LYS A 99 -4.427 -5.435 -6.013 1.00 0.00 O ATOM 1413 CB LYS A 99 -6.004 -8.154 -5.228 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.985 -8.885 -4.306 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.480 -10.166 -4.986 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.668 -10.741 -4.202 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.873 -12.164 -4.588 1.00 0.00 N ATOM 0 H LYS A 99 -6.401 -5.259 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.869 -7.436 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.534 -7.745 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.263 -8.853 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.498 -9.128 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.830 -8.237 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.778 -9.953 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.674 -10.899 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.481 -10.667 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.569 -10.163 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.678 -12.555 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.069 -12.222 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.016 -12.710 -4.369 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.027 -7.025 -5.253 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.876 -6.549 -6.021 1.00 0.00 C ATOM 1433 C TYR A 100 -1.844 -7.203 -7.402 1.00 0.00 C ATOM 1434 O TYR A 100 -2.070 -8.406 -7.533 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.592 -6.888 -5.255 1.00 0.00 C ATOM 1436 CG TYR A 100 0.626 -6.533 -6.081 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.088 -7.425 -7.071 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.311 -5.320 -5.851 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.236 -7.106 -7.828 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.452 -4.998 -6.615 1.00 0.00 C ATOM 1441 CZ TYR A 100 2.913 -5.888 -7.605 1.00 0.00 C ATOM 1442 OH TYR A 100 4.107 -5.636 -8.248 1.00 0.00 O ATOM 0 H TYR A 100 -2.837 -7.845 -4.677 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.956 -5.470 -6.155 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.570 -6.344 -4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.577 -7.950 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.564 -8.352 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.961 -4.638 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.596 -7.794 -8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.973 -4.068 -6.441 1.00 0.00 H new ATOM 0 HH TYR A 100 4.440 -4.753 -7.985 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.549 -6.402 -8.430 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.471 -6.908 -9.807 1.00 0.00 C ATOM 1454 C GLU A 101 -0.014 -6.998 -10.248 1.00 0.00 C ATOM 1455 O GLU A 101 0.419 -8.091 -10.573 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.225 -5.978 -10.762 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.613 -5.667 -10.205 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.385 -6.966 -9.966 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.183 -7.572 -8.927 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.171 -7.330 -10.827 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.613 -5.956 -10.361 1.00 0.00 O ATOM 0 H GLU A 101 -1.361 -5.404 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.926 -7.898 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.664 -5.053 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.314 -6.446 -11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.523 -5.111 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.160 -5.033 -10.903 1.00 0.00 H new