USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 738 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 72 HIS : no HE2:sc= -5.22 K(o=-9.3,f=-11!) USER MOD Set 1.2: A 74 HIS : no HD1:sc= -4.07! C(o=-9.3!,f=-11!) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.55! K(o=-0.18!,f=-1.7) USER MOD Set 2.2: A 57 TYR OH : rot -169:sc= 0.371 USER MOD Set 3.1: A 28 SER OG : rot 66:sc= 0.704 USER MOD Set 3.2: A 31 THR OG1 : rot 179:sc= -2.12! USER MOD Set 3.3: A 89 TYR OH : rot -95:sc= 0.669 USER MOD Single : A 3 HIS : no HE2:sc= -6.84! C(o=-6.8!,f=-7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0969) USER MOD Single : A 9 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-9.1!) USER MOD Single : A 10 ASN : amide:sc= -5.35! C(o=-5.3!,f=-3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.079) USER MOD Single : A 29 ASN : amide:sc= -4.09! C(o=-4.1!,f=-4.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.296 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -139:sc= 0.18 USER MOD Single : A 43 LYS NZ :NH3+ -126:sc= 0.111 (180deg=-0.37) USER MOD Single : A 45 SER OG : rot 15:sc= -1.47! USER MOD Single : A 47 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.57) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= -0.157 (180deg=-0.157) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= -0.0588 (180deg=-0.242) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.122) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -6.59! C(o=-6.6!,f=-11!) USER MOD Single : A 86 ASN : amide:sc= -4.48! K(o=-4.5!,f=-1.2) USER MOD Single : A 88 THR OG1 : rot 90:sc= 2.12 USER MOD Single : A 90 MET CE :methyl -168:sc= -1.18 (180deg=-1.56!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.00664 USER MOD Single : A 98 HIS : no HD1:sc= -0.0476 X(o=-0.048,f=-0.048) USER MOD Single : A 100 SER OG : rot 82:sc= 1.03 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.03) USER MOD Single : A 110 ASN : amide:sc= -2.83! K(o=-2.8!,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -5.658 -9.982 5.101 1.00 0.59 N ATOM 2 CA HIS A 3 -4.775 -9.024 5.732 1.00 0.46 C ATOM 3 C HIS A 3 -5.013 -7.654 5.130 1.00 0.43 C ATOM 4 O HIS A 3 -5.300 -7.538 3.940 1.00 0.47 O ATOM 5 CB HIS A 3 -3.323 -9.452 5.523 1.00 0.45 C ATOM 6 CG HIS A 3 -2.308 -8.417 5.874 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.174 -7.885 7.133 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.352 -7.839 5.118 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.179 -7.027 7.142 1.00 0.52 C ATOM 10 NE2 HIS A 3 -0.662 -6.975 5.928 1.00 0.51 N ATOM 0 HA HIS A 3 -4.977 -8.982 6.802 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.133 -10.344 6.120 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.189 -9.733 4.478 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -2.757 -8.120 7.937 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.165 -8.023 4.070 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -0.841 -6.460 7.997 1.00 0.52 H new ATOM 19 N LYS A 4 -4.894 -6.629 5.948 1.00 0.40 N ATOM 20 CA LYS A 4 -5.084 -5.271 5.489 1.00 0.39 C ATOM 21 C LYS A 4 -4.103 -4.336 6.174 1.00 0.35 C ATOM 22 O LYS A 4 -3.927 -4.388 7.393 1.00 0.43 O ATOM 23 CB LYS A 4 -6.526 -4.833 5.747 1.00 0.54 C ATOM 24 CG LYS A 4 -6.977 -5.019 7.189 1.00 0.90 C ATOM 25 CD LYS A 4 -8.394 -4.523 7.407 1.00 1.13 C ATOM 26 CE LYS A 4 -8.883 -4.854 8.806 1.00 1.92 C ATOM 27 NZ LYS A 4 -10.233 -4.298 9.070 1.00 2.36 N ATOM 0 H LYS A 4 -4.665 -6.713 6.939 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.894 -5.229 4.416 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.630 -3.782 5.476 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.190 -5.398 5.093 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -6.917 -6.074 7.455 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.299 -4.484 7.853 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -8.433 -3.445 7.251 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -9.058 -4.976 6.670 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -8.905 -5.936 8.936 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -8.179 -4.460 9.539 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -10.528 -4.547 10.036 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -10.207 -3.263 8.972 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -10.911 -4.694 8.388 1.00 2.36 H new ATOM 41 N VAL A 5 -3.425 -3.514 5.393 1.00 0.31 N ATOM 42 CA VAL A 5 -2.530 -2.527 5.967 1.00 0.33 C ATOM 43 C VAL A 5 -3.108 -1.121 5.874 1.00 0.27 C ATOM 44 O VAL A 5 -3.712 -0.751 4.881 1.00 0.29 O ATOM 45 CB VAL A 5 -1.108 -2.577 5.344 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.436 -1.221 5.391 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.259 -3.594 6.085 1.00 0.49 C ATOM 0 H VAL A 5 -3.476 -3.509 4.374 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.431 -2.786 7.021 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.208 -2.870 4.299 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.557 -1.291 4.947 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -1.033 -0.500 4.833 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.348 -0.894 6.427 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.738 -3.626 5.645 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.183 -3.309 7.134 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.721 -4.578 6.009 1.00 0.49 H new ATOM 57 N THR A 6 -2.963 -0.384 6.961 1.00 0.41 N ATOM 58 CA THR A 6 -3.256 1.036 7.007 1.00 0.33 C ATOM 59 C THR A 6 -1.981 1.808 7.366 1.00 0.37 C ATOM 60 O THR A 6 -0.987 1.188 7.752 1.00 0.51 O ATOM 61 CB THR A 6 -4.379 1.334 8.010 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.223 0.505 9.172 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.738 1.089 7.373 1.00 0.36 C ATOM 0 H THR A 6 -2.633 -0.762 7.849 1.00 0.41 H new ATOM 0 HA THR A 6 -3.602 1.359 6.025 1.00 0.33 H new ATOM 0 HB THR A 6 -4.319 2.381 8.305 1.00 0.36 H new ATOM 0 HG1 THR A 6 -4.940 0.699 9.811 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.524 1.305 8.097 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.856 1.739 6.506 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.810 0.048 7.059 1.00 0.36 H new ATOM 71 N LYS A 7 -2.020 3.139 7.224 1.00 0.30 N ATOM 72 CA LYS A 7 -0.835 4.018 7.329 1.00 0.28 C ATOM 73 C LYS A 7 0.148 3.632 8.449 1.00 0.27 C ATOM 74 O LYS A 7 1.356 3.716 8.247 1.00 0.32 O ATOM 75 CB LYS A 7 -1.287 5.469 7.512 1.00 0.27 C ATOM 76 CG LYS A 7 -0.152 6.488 7.542 1.00 0.28 C ATOM 77 CD LYS A 7 0.799 6.317 6.363 1.00 0.42 C ATOM 78 CE LYS A 7 1.747 7.503 6.217 1.00 0.35 C ATOM 79 NZ LYS A 7 2.420 7.860 7.493 1.00 0.83 N ATOM 0 H LYS A 7 -2.883 3.647 7.031 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.285 3.894 6.396 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -1.969 5.728 6.702 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.851 5.546 8.441 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.568 7.495 7.529 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.404 6.385 8.474 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.379 5.403 6.494 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.222 6.199 5.446 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.502 7.269 5.466 1.00 0.35 H new ATOM 0 HE3 LYS A 7 1.190 8.365 5.851 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.172 8.554 7.307 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.725 8.271 8.149 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 2.834 7.006 7.918 1.00 0.83 H new ATOM 93 N ALA A 8 -0.352 3.219 9.614 1.00 0.25 N ATOM 94 CA ALA A 8 0.521 2.845 10.739 1.00 0.26 C ATOM 95 C ALA A 8 1.554 1.791 10.332 1.00 0.23 C ATOM 96 O ALA A 8 2.718 1.826 10.756 1.00 0.24 O ATOM 97 CB ALA A 8 -0.307 2.317 11.893 1.00 0.33 C ATOM 0 H ALA A 8 -1.350 3.134 9.808 1.00 0.25 H new ATOM 0 HA ALA A 8 1.055 3.744 11.047 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.351 2.044 12.718 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -1.003 3.088 12.224 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.865 1.439 11.568 1.00 0.33 H new ATOM 103 N HIS A 9 1.133 0.879 9.467 1.00 0.23 N ATOM 104 CA HIS A 9 1.979 -0.227 9.034 1.00 0.23 C ATOM 105 C HIS A 9 3.174 0.268 8.236 1.00 0.23 C ATOM 106 O HIS A 9 3.991 -0.533 7.782 1.00 0.25 O ATOM 107 CB HIS A 9 1.202 -1.235 8.209 1.00 0.28 C ATOM 108 CG HIS A 9 0.116 -1.948 8.948 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.175 -1.489 8.981 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.110 -3.137 9.598 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.937 -2.368 9.606 1.00 1.69 C ATOM 112 NE2 HIS A 9 -1.180 -3.376 9.993 1.00 2.12 N ATOM 0 H HIS A 9 0.203 0.883 9.048 1.00 0.23 H new ATOM 0 HA HIS A 9 2.338 -0.718 9.938 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.763 -0.722 7.353 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.899 -1.974 7.814 1.00 0.28 H new ATOM 0 HD2 HIS A 9 0.963 -3.777 9.772 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -3.000 -2.277 9.772 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.502 -4.199 10.503 1.00 2.12 H new ATOM 121 N ASN A 10 3.240 1.591 8.035 1.00 0.22 N ATOM 122 CA ASN A 10 4.418 2.263 7.480 1.00 0.24 C ATOM 123 C ASN A 10 5.692 1.751 8.167 1.00 0.24 C ATOM 124 O ASN A 10 6.793 1.874 7.633 1.00 0.26 O ATOM 125 CB ASN A 10 4.267 3.791 7.669 1.00 0.31 C ATOM 126 CG ASN A 10 5.461 4.614 7.201 1.00 0.56 C ATOM 127 OD1 ASN A 10 5.768 5.655 7.780 1.00 1.41 O ATOM 128 ND2 ASN A 10 6.127 4.174 6.148 1.00 0.96 N ATOM 0 H ASN A 10 2.473 2.226 8.255 1.00 0.22 H new ATOM 0 HA ASN A 10 4.498 2.043 6.415 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.380 4.124 7.129 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.093 3.997 8.725 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.923 4.702 5.791 1.00 0.96 H new ATOM 0 HD22 ASN A 10 5.845 3.306 5.692 1.00 0.96 H new ATOM 135 N GLY A 11 5.516 1.151 9.345 1.00 0.25 N ATOM 136 CA GLY A 11 6.620 0.526 10.043 1.00 0.26 C ATOM 137 C GLY A 11 6.187 -0.756 10.730 1.00 0.25 C ATOM 138 O GLY A 11 6.358 -0.908 11.939 1.00 0.30 O ATOM 0 H GLY A 11 4.619 1.089 9.827 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.422 0.309 9.338 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.024 1.218 10.782 1.00 0.26 H new ATOM 142 N ALA A 12 5.610 -1.677 9.965 1.00 0.24 N ATOM 143 CA ALA A 12 5.047 -2.903 10.534 1.00 0.27 C ATOM 144 C ALA A 12 5.816 -4.156 10.127 1.00 0.28 C ATOM 145 O ALA A 12 6.554 -4.168 9.140 1.00 0.31 O ATOM 146 CB ALA A 12 3.602 -3.041 10.106 1.00 0.32 C ATOM 0 H ALA A 12 5.519 -1.601 8.952 1.00 0.24 H new ATOM 0 HA ALA A 12 5.123 -2.816 11.618 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.183 -3.954 10.529 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.034 -2.182 10.461 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.548 -3.087 9.018 1.00 0.32 H new ATOM 152 N THR A 13 5.626 -5.215 10.909 1.00 0.39 N ATOM 153 CA THR A 13 6.164 -6.537 10.603 1.00 0.44 C ATOM 154 C THR A 13 5.263 -7.610 11.230 1.00 0.56 C ATOM 155 O THR A 13 5.199 -7.738 12.451 1.00 0.95 O ATOM 156 CB THR A 13 7.611 -6.698 11.128 1.00 0.71 C ATOM 157 OG1 THR A 13 8.436 -5.627 10.640 1.00 0.89 O ATOM 158 CG2 THR A 13 8.200 -8.032 10.691 1.00 0.74 C ATOM 0 H THR A 13 5.092 -5.180 11.777 1.00 0.39 H new ATOM 0 HA THR A 13 6.187 -6.653 9.519 1.00 0.44 H new ATOM 0 HB THR A 13 7.582 -6.667 12.217 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.349 -5.737 10.979 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.217 -8.123 11.072 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.591 -8.845 11.086 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.214 -8.084 9.602 1.00 0.74 H new ATOM 166 N LEU A 14 4.547 -8.359 10.399 1.00 0.39 N ATOM 167 CA LEU A 14 3.544 -9.303 10.894 1.00 0.70 C ATOM 168 C LEU A 14 3.254 -10.390 9.864 1.00 0.35 C ATOM 169 O LEU A 14 3.634 -10.274 8.703 1.00 0.88 O ATOM 170 CB LEU A 14 2.239 -8.575 11.258 1.00 1.51 C ATOM 171 CG LEU A 14 1.435 -8.002 10.082 1.00 2.04 C ATOM 172 CD1 LEU A 14 0.060 -7.560 10.545 1.00 2.43 C ATOM 173 CD2 LEU A 14 2.164 -6.831 9.448 1.00 3.00 C ATOM 0 H LEU A 14 4.639 -8.334 9.384 1.00 0.39 H new ATOM 0 HA LEU A 14 3.952 -9.771 11.790 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.600 -9.269 11.805 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.480 -7.759 11.939 1.00 1.51 H new ATOM 0 HG LEU A 14 1.324 -8.789 9.336 1.00 2.04 H new ATOM 0 HD11 LEU A 14 -0.496 -7.156 9.699 1.00 2.43 H new ATOM 0 HD12 LEU A 14 -0.477 -8.414 10.958 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.164 -6.791 11.311 1.00 2.43 H new ATOM 0 HD21 LEU A 14 1.575 -6.442 8.617 1.00 3.00 H new ATOM 0 HD22 LEU A 14 2.307 -6.046 10.191 1.00 3.00 H new ATOM 0 HD23 LEU A 14 3.135 -7.163 9.080 1.00 3.00 H new ATOM 185 N THR A 15 2.578 -11.445 10.297 1.00 0.70 N ATOM 186 CA THR A 15 2.224 -12.539 9.411 1.00 0.74 C ATOM 187 C THR A 15 0.744 -12.475 9.038 1.00 0.82 C ATOM 188 O THR A 15 -0.089 -12.013 9.823 1.00 1.21 O ATOM 189 CB THR A 15 2.526 -13.902 10.056 1.00 1.40 C ATOM 190 OG1 THR A 15 3.924 -13.997 10.354 1.00 1.55 O ATOM 191 CG2 THR A 15 2.113 -15.037 9.132 1.00 1.73 C ATOM 0 H THR A 15 2.264 -11.564 11.260 1.00 0.70 H new ATOM 0 HA THR A 15 2.830 -12.435 8.511 1.00 0.74 H new ATOM 0 HB THR A 15 1.953 -13.985 10.980 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.112 -14.866 10.766 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.335 -15.992 9.607 1.00 1.73 H new ATOM 0 HG22 THR A 15 1.044 -14.972 8.931 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.664 -14.962 8.194 1.00 1.73 H new ATOM 199 N VAL A 16 0.426 -12.934 7.833 1.00 0.57 N ATOM 200 CA VAL A 16 -0.932 -12.882 7.322 1.00 0.64 C ATOM 201 C VAL A 16 -1.381 -14.276 6.886 1.00 0.59 C ATOM 202 O VAL A 16 -0.547 -15.143 6.625 1.00 0.59 O ATOM 203 CB VAL A 16 -1.015 -11.908 6.128 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.186 -10.675 6.423 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.560 -12.555 4.840 1.00 0.63 C ATOM 0 H VAL A 16 1.099 -13.349 7.189 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.591 -12.527 8.115 1.00 0.64 H new ATOM 0 HB VAL A 16 -2.059 -11.624 5.993 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.245 -9.987 5.580 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.569 -10.185 7.318 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.852 -10.965 6.584 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.634 -11.835 4.025 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.475 -12.881 4.943 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -1.192 -13.416 4.622 1.00 0.63 H new ATOM 215 N ALA A 17 -2.686 -14.497 6.832 1.00 0.63 N ATOM 216 CA ALA A 17 -3.224 -15.743 6.318 1.00 0.60 C ATOM 217 C ALA A 17 -3.954 -15.484 5.015 1.00 0.55 C ATOM 218 O ALA A 17 -5.070 -14.969 5.018 1.00 0.76 O ATOM 219 CB ALA A 17 -4.167 -16.352 7.331 1.00 0.75 C ATOM 0 H ALA A 17 -3.391 -13.827 7.139 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.407 -16.440 6.135 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.567 -17.287 6.939 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.628 -16.548 8.258 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -4.986 -15.660 7.527 1.00 0.75 H new ATOM 225 N VAL A 18 -3.334 -15.844 3.907 1.00 0.54 N ATOM 226 CA VAL A 18 -3.870 -15.495 2.598 1.00 0.50 C ATOM 227 C VAL A 18 -4.925 -16.490 2.127 1.00 0.49 C ATOM 228 O VAL A 18 -5.181 -17.506 2.777 1.00 0.59 O ATOM 229 CB VAL A 18 -2.769 -15.383 1.526 1.00 0.58 C ATOM 230 CG1 VAL A 18 -1.765 -14.311 1.906 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.083 -16.720 1.297 1.00 1.12 C ATOM 0 H VAL A 18 -2.463 -16.375 3.883 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.336 -14.518 2.725 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.240 -15.093 0.587 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -0.994 -14.245 1.138 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.273 -13.351 1.993 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.305 -14.566 2.861 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.312 -16.607 0.535 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.627 -17.059 2.227 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -2.817 -17.453 0.964 1.00 1.12 H new ATOM 241 N GLY A 19 -5.527 -16.182 0.987 1.00 0.52 N ATOM 242 CA GLY A 19 -6.584 -17.010 0.446 1.00 0.55 C ATOM 243 C GLY A 19 -7.806 -16.185 0.106 1.00 0.59 C ATOM 244 O GLY A 19 -8.536 -16.489 -0.840 1.00 0.71 O ATOM 0 H GLY A 19 -5.298 -15.364 0.422 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.227 -17.522 -0.448 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -6.852 -17.781 1.169 1.00 0.55 H new ATOM 248 N GLU A 20 -8.019 -15.131 0.883 1.00 0.57 N ATOM 249 CA GLU A 20 -9.113 -14.205 0.645 1.00 0.64 C ATOM 250 C GLU A 20 -8.600 -12.991 -0.117 1.00 0.50 C ATOM 251 O GLU A 20 -8.803 -12.867 -1.325 1.00 0.50 O ATOM 252 CB GLU A 20 -9.731 -13.753 1.971 1.00 0.76 C ATOM 253 CG GLU A 20 -10.291 -14.884 2.813 1.00 0.96 C ATOM 254 CD GLU A 20 -11.599 -15.413 2.274 1.00 1.55 C ATOM 255 OE1 GLU A 20 -12.662 -14.880 2.652 1.00 1.75 O ATOM 256 OE2 GLU A 20 -11.570 -16.364 1.465 1.00 2.35 O ATOM 0 H GLU A 20 -7.441 -14.897 1.690 1.00 0.57 H new ATOM 0 HA GLU A 20 -9.877 -14.712 0.056 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -8.974 -13.224 2.550 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -10.529 -13.040 1.763 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -9.564 -15.695 2.855 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.438 -14.534 3.835 1.00 0.96 H new ATOM 263 N LEU A 21 -7.911 -12.112 0.605 1.00 0.45 N ATOM 264 CA LEU A 21 -7.352 -10.898 0.030 1.00 0.32 C ATOM 265 C LEU A 21 -6.344 -10.268 0.981 1.00 0.38 C ATOM 266 O LEU A 21 -6.669 -9.969 2.130 1.00 0.64 O ATOM 267 CB LEU A 21 -8.463 -9.890 -0.288 1.00 0.39 C ATOM 268 CG LEU A 21 -7.974 -8.521 -0.762 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.157 -8.656 -2.035 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.147 -7.576 -0.974 1.00 0.71 C ATOM 0 H LEU A 21 -7.726 -12.223 1.602 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.843 -11.168 -0.896 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.110 -10.314 -1.056 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.075 -9.752 0.604 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.333 -8.100 0.012 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.818 -7.671 -2.356 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.293 -9.293 -1.847 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.773 -9.101 -2.817 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.778 -6.607 -1.311 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.817 -7.991 -1.727 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -9.688 -7.451 -0.036 1.00 0.71 H new ATOM 282 N VAL A 22 -5.123 -10.072 0.511 1.00 0.27 N ATOM 283 CA VAL A 22 -4.110 -9.410 1.311 1.00 0.28 C ATOM 284 C VAL A 22 -3.853 -8.010 0.758 1.00 0.30 C ATOM 285 O VAL A 22 -3.242 -7.835 -0.297 1.00 0.37 O ATOM 286 CB VAL A 22 -2.812 -10.265 1.414 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.563 -9.401 1.524 1.00 0.40 C ATOM 288 CG2 VAL A 22 -2.914 -11.161 2.626 1.00 0.38 C ATOM 0 H VAL A 22 -4.812 -10.361 -0.416 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.475 -9.303 2.332 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.721 -10.855 0.502 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -0.683 -10.041 1.593 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.481 -8.766 0.642 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -1.629 -8.777 2.415 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.011 -11.765 2.709 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.026 -10.550 3.522 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -3.780 -11.815 2.523 1.00 0.38 H new ATOM 298 N GLU A 23 -4.365 -7.009 1.452 1.00 0.29 N ATOM 299 CA GLU A 23 -4.313 -5.655 0.936 1.00 0.36 C ATOM 300 C GLU A 23 -3.413 -4.756 1.760 1.00 0.27 C ATOM 301 O GLU A 23 -3.125 -5.019 2.931 1.00 0.37 O ATOM 302 CB GLU A 23 -5.698 -5.022 0.860 1.00 0.58 C ATOM 303 CG GLU A 23 -6.280 -4.629 2.206 1.00 0.96 C ATOM 304 CD GLU A 23 -7.427 -3.648 2.074 1.00 0.99 C ATOM 305 OE1 GLU A 23 -7.182 -2.480 1.689 1.00 1.06 O ATOM 306 OE2 GLU A 23 -8.582 -4.038 2.320 1.00 1.09 O ATOM 0 H GLU A 23 -4.815 -7.106 2.362 1.00 0.29 H new ATOM 0 HA GLU A 23 -3.899 -5.743 -0.068 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -5.645 -4.136 0.227 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.378 -5.721 0.373 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.628 -5.523 2.724 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -5.497 -4.188 2.823 1.00 0.96 H new ATOM 313 N ILE A 24 -2.994 -3.682 1.121 1.00 0.25 N ATOM 314 CA ILE A 24 -2.162 -2.664 1.727 1.00 0.24 C ATOM 315 C ILE A 24 -2.723 -1.297 1.367 1.00 0.29 C ATOM 316 O ILE A 24 -2.534 -0.825 0.256 1.00 0.54 O ATOM 317 CB ILE A 24 -0.717 -2.743 1.196 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.131 -4.141 1.401 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.156 -1.696 1.860 1.00 0.32 C ATOM 320 CD1 ILE A 24 -0.092 -4.566 2.845 1.00 0.27 C ATOM 0 H ILE A 24 -3.227 -3.490 0.147 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.155 -2.820 2.806 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.742 -2.542 0.125 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.721 -4.861 0.834 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.880 -4.166 0.995 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.172 -1.769 1.471 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.243 -0.703 1.650 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.167 -1.862 2.937 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.335 -5.566 2.918 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.522 -3.867 3.414 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -1.104 -4.573 3.250 1.00 0.27 H new ATOM 332 N GLN A 25 -3.404 -0.661 2.288 1.00 0.21 N ATOM 333 CA GLN A 25 -4.048 0.601 1.994 1.00 0.22 C ATOM 334 C GLN A 25 -3.304 1.757 2.621 1.00 0.20 C ATOM 335 O GLN A 25 -2.810 1.667 3.745 1.00 0.23 O ATOM 336 CB GLN A 25 -5.486 0.580 2.484 1.00 0.27 C ATOM 337 CG GLN A 25 -6.158 1.939 2.476 1.00 0.29 C ATOM 338 CD GLN A 25 -6.393 2.501 3.871 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.458 2.312 4.455 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.397 3.175 4.425 1.00 0.30 N ATOM 0 H GLN A 25 -3.528 -0.992 3.245 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.038 0.740 0.913 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.062 -0.103 1.860 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.508 0.181 3.498 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.543 2.638 1.909 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.113 1.861 1.957 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -4.527 3.313 3.911 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -5.500 3.556 5.365 1.00 0.30 H new ATOM 349 N LEU A 26 -3.238 2.847 1.896 1.00 0.19 N ATOM 350 CA LEU A 26 -2.708 4.064 2.438 1.00 0.18 C ATOM 351 C LEU A 26 -3.698 5.188 2.265 1.00 0.22 C ATOM 352 O LEU A 26 -4.404 5.255 1.277 1.00 0.31 O ATOM 353 CB LEU A 26 -1.369 4.389 1.815 1.00 0.22 C ATOM 354 CG LEU A 26 -0.250 3.561 2.403 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.731 3.154 1.327 1.00 0.77 C ATOM 356 CD2 LEU A 26 0.436 4.320 3.523 1.00 0.85 C ATOM 0 H LEU A 26 -3.547 2.911 0.926 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.542 3.932 3.507 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.419 4.218 0.740 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.150 5.447 1.959 1.00 0.22 H new ATOM 0 HG LEU A 26 -0.672 2.650 2.827 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.530 2.559 1.769 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.216 2.564 0.569 1.00 0.77 H new ATOM 0 HD13 LEU A 26 1.156 4.046 0.866 1.00 0.77 H new ATOM 0 HD21 LEU A 26 1.240 3.711 3.937 1.00 0.85 H new ATOM 0 HD22 LEU A 26 0.850 5.250 3.132 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.288 4.546 4.306 1.00 0.85 H new ATOM 368 N PRO A 27 -3.785 6.070 3.250 1.00 0.21 N ATOM 369 CA PRO A 27 -4.761 7.156 3.255 1.00 0.25 C ATOM 370 C PRO A 27 -4.283 8.369 2.473 1.00 0.26 C ATOM 371 O PRO A 27 -4.824 9.458 2.630 1.00 0.35 O ATOM 372 CB PRO A 27 -4.844 7.492 4.732 1.00 0.27 C ATOM 373 CG PRO A 27 -3.440 7.291 5.198 1.00 0.25 C ATOM 374 CD PRO A 27 -2.938 6.090 4.454 1.00 0.22 C ATOM 0 HA PRO A 27 -5.706 6.875 2.791 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.181 8.515 4.895 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.541 6.839 5.257 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.827 8.167 4.987 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.404 7.129 6.275 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.881 6.183 4.203 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -3.047 5.177 5.040 1.00 0.22 H new ATOM 382 N SER A 28 -3.260 8.162 1.647 1.00 0.22 N ATOM 383 CA SER A 28 -2.614 9.223 0.875 1.00 0.25 C ATOM 384 C SER A 28 -1.906 10.221 1.791 1.00 0.25 C ATOM 385 O SER A 28 -0.684 10.344 1.756 1.00 0.31 O ATOM 386 CB SER A 28 -3.614 9.943 -0.051 1.00 0.35 C ATOM 387 OG SER A 28 -2.943 10.712 -1.032 1.00 0.91 O ATOM 0 H SER A 28 -2.850 7.241 1.492 1.00 0.22 H new ATOM 0 HA SER A 28 -1.862 8.750 0.244 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.256 9.209 -0.538 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.261 10.590 0.541 1.00 0.35 H new ATOM 0 HG SER A 28 -2.458 10.116 -1.640 1.00 0.91 H new ATOM 393 N ASN A 29 -2.675 10.867 2.646 1.00 0.29 N ATOM 394 CA ASN A 29 -2.186 11.947 3.503 1.00 0.36 C ATOM 395 C ASN A 29 -1.625 13.046 2.613 1.00 0.42 C ATOM 396 O ASN A 29 -0.418 13.113 2.384 1.00 0.48 O ATOM 397 CB ASN A 29 -1.096 11.490 4.482 1.00 0.42 C ATOM 398 CG ASN A 29 -1.262 10.072 5.001 1.00 0.60 C ATOM 399 OD1 ASN A 29 -2.021 9.825 5.938 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.497 9.145 4.442 1.00 0.39 N ATOM 0 H ASN A 29 -3.666 10.661 2.772 1.00 0.29 H new ATOM 0 HA ASN A 29 -3.025 12.300 4.103 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.127 11.571 3.989 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -1.080 12.173 5.331 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.524 8.185 4.787 1.00 0.39 H new ATOM 0 HD22 ASN A 29 0.119 9.391 3.667 1.00 0.39 H new ATOM 407 N PRO A 30 -2.504 13.923 2.111 1.00 0.55 N ATOM 408 CA PRO A 30 -2.182 14.859 1.025 1.00 0.66 C ATOM 409 C PRO A 30 -1.064 15.821 1.371 1.00 0.72 C ATOM 410 O PRO A 30 -1.279 16.837 2.034 1.00 0.82 O ATOM 411 CB PRO A 30 -3.492 15.620 0.808 1.00 0.83 C ATOM 412 CG PRO A 30 -4.530 14.732 1.389 1.00 0.82 C ATOM 413 CD PRO A 30 -3.886 14.090 2.572 1.00 0.75 C ATOM 0 HA PRO A 30 -1.822 14.330 0.143 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -3.475 16.591 1.304 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.674 15.806 -0.251 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.413 15.300 1.682 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.857 13.985 0.666 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -3.947 14.718 3.461 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.351 13.137 2.823 1.00 0.75 H new ATOM 421 N THR A 31 0.131 15.496 0.923 1.00 0.73 N ATOM 422 CA THR A 31 1.264 16.368 1.113 1.00 0.84 C ATOM 423 C THR A 31 1.264 17.431 0.016 1.00 1.10 C ATOM 424 O THR A 31 1.429 18.621 0.282 1.00 1.83 O ATOM 425 CB THR A 31 2.594 15.575 1.094 1.00 0.96 C ATOM 426 OG1 THR A 31 2.992 15.284 -0.252 1.00 1.60 O ATOM 427 CG2 THR A 31 2.449 14.262 1.857 1.00 0.81 C ATOM 0 H THR A 31 0.340 14.631 0.424 1.00 0.73 H new ATOM 0 HA THR A 31 1.181 16.845 2.090 1.00 0.84 H new ATOM 0 HB THR A 31 3.353 16.194 1.573 1.00 0.96 H new ATOM 0 HG1 THR A 31 3.843 14.798 -0.244 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.394 13.720 1.832 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.178 14.471 2.892 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.671 13.656 1.393 1.00 0.81 H new ATOM 435 N THR A 32 1.035 16.971 -1.216 1.00 1.19 N ATOM 436 CA THR A 32 1.004 17.818 -2.398 1.00 1.43 C ATOM 437 C THR A 32 0.867 16.918 -3.641 1.00 1.47 C ATOM 438 O THR A 32 0.124 15.936 -3.600 1.00 2.05 O ATOM 439 CB THR A 32 2.263 18.734 -2.468 1.00 1.62 C ATOM 440 OG1 THR A 32 2.235 19.570 -3.632 1.00 2.36 O ATOM 441 CG2 THR A 32 3.548 17.928 -2.447 1.00 1.32 C ATOM 0 H THR A 32 0.864 15.986 -1.417 1.00 1.19 H new ATOM 0 HA THR A 32 0.146 18.489 -2.353 1.00 1.43 H new ATOM 0 HB THR A 32 2.240 19.366 -1.580 1.00 1.62 H new ATOM 0 HG1 THR A 32 3.036 20.135 -3.649 1.00 2.36 H new ATOM 0 HG21 THR A 32 4.402 18.603 -2.497 1.00 1.32 H new ATOM 0 HG22 THR A 32 3.598 17.347 -1.526 1.00 1.32 H new ATOM 0 HG23 THR A 32 3.568 17.253 -3.303 1.00 1.32 H new ATOM 449 N GLY A 33 1.561 17.245 -4.731 1.00 1.30 N ATOM 450 CA GLY A 33 1.499 16.442 -5.953 1.00 1.26 C ATOM 451 C GLY A 33 1.846 14.971 -5.743 1.00 1.01 C ATOM 452 O GLY A 33 1.402 14.108 -6.503 1.00 1.27 O ATOM 0 H GLY A 33 2.172 18.059 -4.793 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.495 16.512 -6.372 1.00 1.26 H new ATOM 0 HA3 GLY A 33 2.182 16.865 -6.689 1.00 1.26 H new ATOM 456 N PHE A 34 2.668 14.696 -4.738 1.00 0.86 N ATOM 457 CA PHE A 34 3.047 13.334 -4.368 1.00 0.88 C ATOM 458 C PHE A 34 1.815 12.465 -4.061 1.00 0.79 C ATOM 459 O PHE A 34 0.798 12.961 -3.574 1.00 1.11 O ATOM 460 CB PHE A 34 3.967 13.381 -3.141 1.00 1.25 C ATOM 461 CG PHE A 34 5.273 14.103 -3.355 1.00 1.50 C ATOM 462 CD1 PHE A 34 5.307 15.481 -3.424 1.00 1.95 C ATOM 463 CD2 PHE A 34 6.460 13.408 -3.484 1.00 1.69 C ATOM 464 CE1 PHE A 34 6.495 16.153 -3.615 1.00 2.22 C ATOM 465 CE2 PHE A 34 7.653 14.072 -3.678 1.00 1.94 C ATOM 466 CZ PHE A 34 7.687 15.415 -3.751 1.00 2.08 C ATOM 0 H PHE A 34 3.094 15.414 -4.152 1.00 0.86 H new ATOM 0 HA PHE A 34 3.568 12.884 -5.213 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.432 13.862 -2.322 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.180 12.360 -2.826 1.00 1.25 H new ATOM 0 HD1 PHE A 34 4.389 16.041 -3.327 1.00 1.95 H new ATOM 0 HD2 PHE A 34 6.454 12.329 -3.432 1.00 1.69 H new ATOM 0 HE1 PHE A 34 6.512 17.232 -3.660 1.00 2.22 H new ATOM 0 HE2 PHE A 34 8.569 13.508 -3.772 1.00 1.94 H new ATOM 0 HZ PHE A 34 8.625 15.925 -3.913 1.00 2.08 H new ATOM 476 N ALA A 35 1.921 11.172 -4.361 1.00 0.44 N ATOM 477 CA ALA A 35 0.871 10.194 -4.065 1.00 0.37 C ATOM 478 C ALA A 35 1.496 8.810 -3.875 1.00 0.30 C ATOM 479 O ALA A 35 2.601 8.569 -4.370 1.00 0.30 O ATOM 480 CB ALA A 35 -0.144 10.152 -5.197 1.00 0.44 C ATOM 0 H ALA A 35 2.740 10.770 -4.818 1.00 0.44 H new ATOM 0 HA ALA A 35 0.361 10.489 -3.148 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.919 9.421 -4.964 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.597 11.136 -5.316 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.356 9.868 -6.123 1.00 0.44 H new ATOM 486 N TRP A 36 0.810 7.900 -3.175 1.00 0.26 N ATOM 487 CA TRP A 36 1.399 6.595 -2.874 1.00 0.21 C ATOM 488 C TRP A 36 1.339 5.662 -4.072 1.00 0.27 C ATOM 489 O TRP A 36 0.267 5.342 -4.582 1.00 0.43 O ATOM 490 CB TRP A 36 0.740 5.878 -1.690 1.00 0.20 C ATOM 491 CG TRP A 36 0.827 6.578 -0.375 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.107 7.387 0.197 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.903 6.488 0.559 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.322 7.801 1.432 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.554 7.265 1.676 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.129 5.829 0.554 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.381 7.395 2.782 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.955 5.958 1.647 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.578 6.734 2.754 1.00 0.14 C ATOM 0 H TRP A 36 -0.134 8.040 -2.814 1.00 0.26 H new ATOM 0 HA TRP A 36 2.433 6.820 -2.611 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.312 5.719 -1.926 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.196 4.893 -1.587 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.048 7.662 -0.256 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.195 8.410 2.066 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.427 5.227 -0.292 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 2.091 7.995 3.632 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.910 5.453 1.653 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.246 6.811 3.600 1.00 0.14 H new ATOM 510 N TYR A 37 2.507 5.240 -4.511 1.00 0.27 N ATOM 511 CA TYR A 37 2.637 4.170 -5.482 1.00 0.34 C ATOM 512 C TYR A 37 3.572 3.133 -4.911 1.00 0.39 C ATOM 513 O TYR A 37 4.009 3.273 -3.787 1.00 0.78 O ATOM 514 CB TYR A 37 3.208 4.686 -6.800 1.00 0.53 C ATOM 515 CG TYR A 37 2.261 5.553 -7.579 1.00 0.61 C ATOM 516 CD1 TYR A 37 1.384 5.006 -8.505 1.00 1.42 C ATOM 517 CD2 TYR A 37 2.247 6.921 -7.380 1.00 0.90 C ATOM 518 CE1 TYR A 37 0.515 5.806 -9.218 1.00 2.10 C ATOM 519 CE2 TYR A 37 1.375 7.734 -8.085 1.00 1.47 C ATOM 520 CZ TYR A 37 0.511 7.142 -9.034 1.00 2.04 C ATOM 521 OH TYR A 37 -0.363 7.968 -9.710 1.00 2.78 O ATOM 0 H TYR A 37 3.398 5.631 -4.204 1.00 0.27 H new ATOM 0 HA TYR A 37 1.653 3.747 -5.683 1.00 0.34 H new ATOM 0 HB2 TYR A 37 4.116 5.252 -6.594 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.496 3.835 -7.417 1.00 0.53 H new ATOM 0 HD1 TYR A 37 1.382 3.939 -8.670 1.00 1.42 H new ATOM 0 HD2 TYR A 37 2.926 7.362 -6.665 1.00 0.90 H new ATOM 0 HE1 TYR A 37 -0.166 5.360 -9.928 1.00 2.10 H new ATOM 0 HE2 TYR A 37 1.356 8.800 -7.913 1.00 1.47 H new ATOM 0 HH TYR A 37 -0.210 8.897 -9.439 1.00 2.78 H new ATOM 531 N PHE A 38 3.867 2.088 -5.653 1.00 0.26 N ATOM 532 CA PHE A 38 4.979 1.235 -5.290 1.00 0.25 C ATOM 533 C PHE A 38 6.286 1.951 -5.582 1.00 0.32 C ATOM 534 O PHE A 38 6.940 2.464 -4.679 1.00 0.38 O ATOM 535 CB PHE A 38 4.953 -0.062 -6.063 1.00 0.27 C ATOM 536 CG PHE A 38 4.511 -1.252 -5.258 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.394 -1.885 -4.403 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.216 -1.737 -5.357 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.001 -2.980 -3.661 1.00 0.41 C ATOM 540 CE2 PHE A 38 2.816 -2.834 -4.617 1.00 0.41 C ATOM 541 CZ PHE A 38 3.672 -3.444 -3.773 1.00 0.43 C ATOM 0 H PHE A 38 3.364 1.811 -6.496 1.00 0.26 H new ATOM 0 HA PHE A 38 4.895 1.010 -4.227 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.287 0.051 -6.918 1.00 0.27 H new ATOM 0 HB3 PHE A 38 5.950 -0.256 -6.459 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.406 -1.517 -4.315 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.513 -1.253 -6.019 1.00 0.33 H new ATOM 0 HE1 PHE A 38 5.700 -3.475 -3.004 1.00 0.41 H new ATOM 0 HE2 PHE A 38 1.807 -3.206 -4.716 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.342 -4.286 -3.183 1.00 0.43 H new ATOM 551 N GLU A 39 6.648 1.994 -6.859 1.00 0.40 N ATOM 552 CA GLU A 39 7.845 2.700 -7.281 1.00 0.51 C ATOM 553 C GLU A 39 7.519 3.739 -8.352 1.00 0.51 C ATOM 554 O GLU A 39 8.414 4.403 -8.874 1.00 0.61 O ATOM 555 CB GLU A 39 8.920 1.712 -7.758 1.00 0.61 C ATOM 556 CG GLU A 39 8.462 0.743 -8.834 1.00 1.11 C ATOM 557 CD GLU A 39 9.077 1.037 -10.184 1.00 1.75 C ATOM 558 OE1 GLU A 39 10.230 0.627 -10.418 1.00 2.19 O ATOM 559 OE2 GLU A 39 8.408 1.682 -11.022 1.00 2.39 O ATOM 0 H GLU A 39 6.129 1.549 -7.616 1.00 0.40 H new ATOM 0 HA GLU A 39 8.248 3.235 -6.421 1.00 0.51 H new ATOM 0 HB2 GLU A 39 9.771 2.278 -8.137 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.274 1.140 -6.900 1.00 0.61 H new ATOM 0 HG2 GLU A 39 8.719 -0.273 -8.536 1.00 1.11 H new ATOM 0 HG3 GLU A 39 7.376 0.785 -8.917 1.00 1.11 H new ATOM 566 N GLY A 40 6.231 3.883 -8.678 1.00 0.51 N ATOM 567 CA GLY A 40 5.818 4.971 -9.554 1.00 0.55 C ATOM 568 C GLY A 40 5.006 4.508 -10.741 1.00 0.56 C ATOM 569 O GLY A 40 5.565 4.039 -11.734 1.00 0.73 O ATOM 0 H GLY A 40 5.478 3.275 -8.356 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.232 5.688 -8.979 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.704 5.497 -9.911 1.00 0.55 H new ATOM 573 N GLY A 41 3.684 4.657 -10.653 1.00 0.55 N ATOM 574 CA GLY A 41 2.805 4.170 -11.709 1.00 0.70 C ATOM 575 C GLY A 41 2.919 2.670 -11.893 1.00 0.61 C ATOM 576 O GLY A 41 2.588 2.130 -12.946 1.00 0.70 O ATOM 0 H GLY A 41 3.206 5.105 -9.871 1.00 0.55 H new ATOM 0 HA2 GLY A 41 1.773 4.429 -11.471 1.00 0.70 H new ATOM 0 HA3 GLY A 41 3.051 4.670 -12.646 1.00 0.70 H new ATOM 580 N THR A 42 3.381 2.005 -10.849 1.00 0.53 N ATOM 581 CA THR A 42 3.664 0.585 -10.887 1.00 0.51 C ATOM 582 C THR A 42 3.245 -0.088 -9.608 1.00 0.43 C ATOM 583 O THR A 42 3.357 0.496 -8.528 1.00 0.44 O ATOM 584 CB THR A 42 5.159 0.316 -11.053 1.00 0.67 C ATOM 585 OG1 THR A 42 5.901 1.383 -10.448 1.00 1.13 O ATOM 586 CG2 THR A 42 5.537 0.144 -12.512 1.00 0.92 C ATOM 0 H THR A 42 3.571 2.440 -9.946 1.00 0.53 H new ATOM 0 HA THR A 42 3.106 0.190 -11.736 1.00 0.51 H new ATOM 0 HB THR A 42 5.405 -0.621 -10.553 1.00 0.67 H new ATOM 0 HG1 THR A 42 6.661 1.618 -11.020 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.607 -0.046 -12.591 1.00 0.92 H new ATOM 0 HG22 THR A 42 4.987 -0.698 -12.933 1.00 0.92 H new ATOM 0 HG23 THR A 42 5.288 1.052 -13.062 1.00 0.92 H new ATOM 594 N LYS A 43 2.729 -1.288 -9.732 1.00 0.49 N ATOM 595 CA LYS A 43 2.598 -2.154 -8.588 1.00 0.46 C ATOM 596 C LYS A 43 2.879 -3.589 -8.988 1.00 0.55 C ATOM 597 O LYS A 43 2.520 -4.023 -10.083 1.00 0.75 O ATOM 598 CB LYS A 43 1.227 -2.026 -7.929 1.00 0.58 C ATOM 599 CG LYS A 43 0.070 -2.710 -8.665 1.00 1.15 C ATOM 600 CD LYS A 43 -0.273 -2.046 -9.993 1.00 1.41 C ATOM 601 CE LYS A 43 -0.079 -2.991 -11.172 1.00 1.96 C ATOM 602 NZ LYS A 43 -0.908 -4.222 -11.061 1.00 2.52 N ATOM 0 H LYS A 43 2.395 -1.684 -10.610 1.00 0.49 H new ATOM 0 HA LYS A 43 3.334 -1.844 -7.846 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.288 -2.439 -6.922 1.00 0.58 H new ATOM 0 HB3 LYS A 43 0.992 -0.967 -7.825 1.00 0.58 H new ATOM 0 HG2 LYS A 43 0.328 -3.754 -8.844 1.00 1.15 H new ATOM 0 HG3 LYS A 43 -0.812 -2.705 -8.025 1.00 1.15 H new ATOM 0 HD2 LYS A 43 -1.307 -1.703 -9.970 1.00 1.41 H new ATOM 0 HD3 LYS A 43 0.352 -1.164 -10.129 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -0.331 -2.470 -12.096 1.00 1.96 H new ATOM 0 HE3 LYS A 43 0.972 -3.270 -11.240 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -0.298 -5.060 -11.149 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -1.386 -4.237 -10.137 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.620 -4.231 -11.819 1.00 2.52 H new ATOM 616 N GLU A 44 3.562 -4.301 -8.125 1.00 0.48 N ATOM 617 CA GLU A 44 3.816 -5.712 -8.331 1.00 0.60 C ATOM 618 C GLU A 44 3.582 -6.484 -7.040 1.00 0.49 C ATOM 619 O GLU A 44 3.817 -5.968 -5.943 1.00 0.54 O ATOM 620 CB GLU A 44 5.243 -5.916 -8.843 1.00 0.83 C ATOM 621 CG GLU A 44 6.299 -5.229 -7.991 1.00 0.92 C ATOM 622 CD GLU A 44 7.662 -5.216 -8.650 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.949 -4.268 -9.409 1.00 2.30 O ATOM 624 OE2 GLU A 44 8.460 -6.147 -8.410 1.00 1.80 O ATOM 0 H GLU A 44 3.957 -3.924 -7.263 1.00 0.48 H new ATOM 0 HA GLU A 44 3.124 -6.094 -9.082 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.457 -6.984 -8.881 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.311 -5.541 -9.864 1.00 0.83 H new ATOM 0 HG2 GLU A 44 5.987 -4.204 -7.789 1.00 0.92 H new ATOM 0 HG3 GLU A 44 6.370 -5.736 -7.029 1.00 0.92 H new ATOM 631 N SER A 45 3.087 -7.701 -7.165 1.00 0.61 N ATOM 632 CA SER A 45 2.922 -8.572 -6.021 1.00 0.55 C ATOM 633 C SER A 45 4.028 -9.621 -6.047 1.00 0.80 C ATOM 634 O SER A 45 4.234 -10.290 -7.054 1.00 1.15 O ATOM 635 CB SER A 45 1.536 -9.228 -6.027 1.00 0.83 C ATOM 636 OG SER A 45 1.126 -9.597 -7.331 1.00 1.61 O ATOM 0 H SER A 45 2.792 -8.108 -8.052 1.00 0.61 H new ATOM 0 HA SER A 45 2.995 -7.990 -5.102 1.00 0.55 H new ATOM 0 HB2 SER A 45 1.551 -10.111 -5.389 1.00 0.83 H new ATOM 0 HB3 SER A 45 0.808 -8.539 -5.600 1.00 0.83 H new ATOM 0 HG SER A 45 1.898 -9.578 -7.934 1.00 1.61 H new ATOM 642 N PRO A 46 4.746 -9.780 -4.933 1.00 0.85 N ATOM 643 CA PRO A 46 5.960 -10.603 -4.862 1.00 1.17 C ATOM 644 C PRO A 46 5.659 -12.097 -4.786 1.00 1.12 C ATOM 645 O PRO A 46 6.310 -12.834 -4.045 1.00 1.88 O ATOM 646 CB PRO A 46 6.638 -10.124 -3.566 1.00 1.50 C ATOM 647 CG PRO A 46 5.821 -8.966 -3.084 1.00 1.39 C ATOM 648 CD PRO A 46 4.449 -9.171 -3.651 1.00 0.92 C ATOM 0 HA PRO A 46 6.577 -10.490 -5.754 1.00 1.17 H new ATOM 0 HB2 PRO A 46 6.666 -10.920 -2.822 1.00 1.50 H new ATOM 0 HB3 PRO A 46 7.670 -9.825 -3.752 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.793 -8.933 -1.995 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.246 -8.020 -3.421 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.839 -9.819 -3.022 1.00 0.92 H new ATOM 0 HD3 PRO A 46 3.907 -8.232 -3.760 1.00 0.92 H new ATOM 656 N ASN A 47 4.666 -12.527 -5.546 1.00 1.01 N ATOM 657 CA ASN A 47 4.279 -13.929 -5.595 1.00 1.08 C ATOM 658 C ASN A 47 3.210 -14.125 -6.667 1.00 0.97 C ATOM 659 O ASN A 47 2.330 -14.978 -6.538 1.00 1.25 O ATOM 660 CB ASN A 47 3.739 -14.384 -4.236 1.00 1.23 C ATOM 661 CG ASN A 47 4.069 -15.833 -3.927 1.00 1.53 C ATOM 662 OD1 ASN A 47 4.232 -16.658 -4.829 1.00 2.43 O ATOM 663 ND2 ASN A 47 4.175 -16.155 -2.646 1.00 1.23 N ATOM 0 H ASN A 47 4.107 -11.918 -6.144 1.00 1.01 H new ATOM 0 HA ASN A 47 5.156 -14.529 -5.839 1.00 1.08 H new ATOM 0 HB2 ASN A 47 4.153 -13.747 -3.454 1.00 1.23 H new ATOM 0 HB3 ASN A 47 2.657 -14.250 -4.217 1.00 1.23 H new ATOM 0 HD21 ASN A 47 4.399 -17.113 -2.378 1.00 1.23 H new ATOM 0 HD22 ASN A 47 4.033 -15.444 -1.928 1.00 1.23 H new ATOM 670 N GLU A 48 3.286 -13.328 -7.730 1.00 0.86 N ATOM 671 CA GLU A 48 2.249 -13.337 -8.748 1.00 0.93 C ATOM 672 C GLU A 48 2.609 -14.265 -9.910 1.00 0.93 C ATOM 673 O GLU A 48 3.538 -14.010 -10.679 1.00 1.53 O ATOM 674 CB GLU A 48 1.951 -11.909 -9.238 1.00 1.24 C ATOM 675 CG GLU A 48 3.146 -11.150 -9.795 1.00 1.89 C ATOM 676 CD GLU A 48 2.766 -9.780 -10.327 1.00 2.65 C ATOM 677 OE1 GLU A 48 2.439 -8.883 -9.518 1.00 3.26 O ATOM 678 OE2 GLU A 48 2.773 -9.599 -11.565 1.00 2.99 O ATOM 0 H GLU A 48 4.049 -12.674 -7.905 1.00 0.86 H new ATOM 0 HA GLU A 48 1.340 -13.731 -8.294 1.00 0.93 H new ATOM 0 HB2 GLU A 48 1.182 -11.960 -10.009 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.533 -11.338 -8.409 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.898 -11.037 -9.014 1.00 1.89 H new ATOM 0 HG3 GLU A 48 3.603 -11.733 -10.595 1.00 1.89 H new ATOM 685 N SER A 49 1.893 -15.380 -9.993 1.00 0.94 N ATOM 686 CA SER A 49 2.049 -16.327 -11.091 1.00 1.13 C ATOM 687 C SER A 49 0.704 -16.968 -11.427 1.00 1.05 C ATOM 688 O SER A 49 0.622 -17.913 -12.211 1.00 1.48 O ATOM 689 CB SER A 49 3.060 -17.408 -10.709 1.00 1.39 C ATOM 690 OG SER A 49 4.299 -16.832 -10.317 1.00 2.06 O ATOM 0 H SER A 49 1.191 -15.653 -9.305 1.00 0.94 H new ATOM 0 HA SER A 49 2.414 -15.792 -11.968 1.00 1.13 H new ATOM 0 HB2 SER A 49 2.661 -18.012 -9.894 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.218 -18.078 -11.554 1.00 1.39 H new ATOM 0 HG SER A 49 4.929 -17.543 -10.076 1.00 2.06 H new ATOM 696 N MET A 50 -0.350 -16.411 -10.843 1.00 0.77 N ATOM 697 CA MET A 50 -1.695 -16.978 -10.925 1.00 0.69 C ATOM 698 C MET A 50 -2.663 -16.070 -10.189 1.00 0.60 C ATOM 699 O MET A 50 -3.850 -15.987 -10.508 1.00 0.66 O ATOM 700 CB MET A 50 -1.741 -18.380 -10.320 1.00 0.68 C ATOM 701 CG MET A 50 -1.227 -18.456 -8.888 1.00 0.66 C ATOM 702 SD MET A 50 -1.377 -20.106 -8.177 1.00 1.25 S ATOM 703 CE MET A 50 -0.562 -19.866 -6.600 1.00 1.10 C ATOM 0 H MET A 50 -0.298 -15.551 -10.297 1.00 0.77 H new ATOM 0 HA MET A 50 -1.977 -17.055 -11.975 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.769 -18.742 -10.345 1.00 0.68 H new ATOM 0 HB3 MET A 50 -1.151 -19.052 -10.943 1.00 0.68 H new ATOM 0 HG2 MET A 50 -0.181 -18.150 -8.866 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.780 -17.748 -8.271 1.00 0.66 H new ATOM 0 HE1 MET A 50 -0.572 -20.801 -6.039 1.00 1.10 H new ATOM 0 HE2 MET A 50 0.469 -19.554 -6.767 1.00 1.10 H new ATOM 0 HE3 MET A 50 -1.086 -19.097 -6.033 1.00 1.10 H new ATOM 713 N PHE A 51 -2.123 -15.404 -9.187 1.00 0.52 N ATOM 714 CA PHE A 51 -2.842 -14.423 -8.406 1.00 0.44 C ATOM 715 C PHE A 51 -2.065 -13.109 -8.475 1.00 0.51 C ATOM 716 O PHE A 51 -0.867 -13.131 -8.745 1.00 0.74 O ATOM 717 CB PHE A 51 -3.012 -14.945 -6.977 1.00 0.37 C ATOM 718 CG PHE A 51 -4.269 -15.757 -6.785 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.448 -16.954 -7.464 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.262 -15.333 -5.919 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.592 -17.708 -7.282 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.409 -16.084 -5.733 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.601 -17.236 -6.448 1.00 0.61 C ATOM 0 H PHE A 51 -1.156 -15.533 -8.890 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.844 -14.244 -8.796 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -2.149 -15.557 -6.716 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -3.024 -14.101 -6.288 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.684 -17.301 -8.143 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -5.140 -14.404 -5.382 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.702 -18.658 -7.784 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -7.155 -15.761 -5.022 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.532 -17.776 -6.365 1.00 0.61 H new ATOM 733 N THR A 52 -2.724 -11.979 -8.242 1.00 0.47 N ATOM 734 CA THR A 52 -2.161 -10.691 -8.653 1.00 0.61 C ATOM 735 C THR A 52 -2.646 -9.525 -7.775 1.00 0.49 C ATOM 736 O THR A 52 -3.595 -9.666 -6.995 1.00 0.75 O ATOM 737 CB THR A 52 -2.507 -10.411 -10.136 1.00 1.10 C ATOM 738 OG1 THR A 52 -1.842 -9.228 -10.603 1.00 1.41 O ATOM 739 CG2 THR A 52 -4.014 -10.262 -10.323 1.00 1.46 C ATOM 0 H THR A 52 -3.632 -11.924 -7.780 1.00 0.47 H new ATOM 0 HA THR A 52 -1.080 -10.761 -8.529 1.00 0.61 H new ATOM 0 HB THR A 52 -2.161 -11.263 -10.722 1.00 1.10 H new ATOM 0 HG1 THR A 52 -2.074 -9.072 -11.542 1.00 1.41 H new ATOM 0 HG21 THR A 52 -4.233 -10.066 -11.373 1.00 1.46 H new ATOM 0 HG22 THR A 52 -4.512 -11.181 -10.014 1.00 1.46 H new ATOM 0 HG23 THR A 52 -4.376 -9.432 -9.716 1.00 1.46 H new ATOM 747 N VAL A 53 -1.967 -8.381 -7.907 1.00 0.46 N ATOM 748 CA VAL A 53 -2.264 -7.189 -7.116 1.00 0.44 C ATOM 749 C VAL A 53 -2.904 -6.085 -7.967 1.00 0.49 C ATOM 750 O VAL A 53 -2.464 -5.800 -9.084 1.00 0.76 O ATOM 751 CB VAL A 53 -0.982 -6.633 -6.446 1.00 0.67 C ATOM 752 CG1 VAL A 53 0.081 -6.330 -7.486 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.287 -5.387 -5.619 1.00 1.31 C ATOM 0 H VAL A 53 -1.197 -8.258 -8.565 1.00 0.46 H new ATOM 0 HA VAL A 53 -2.974 -7.493 -6.347 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.600 -7.401 -5.773 1.00 0.67 H new ATOM 0 HG11 VAL A 53 0.972 -5.941 -6.993 1.00 1.00 H new ATOM 0 HG12 VAL A 53 0.334 -7.243 -8.025 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -0.298 -5.588 -8.188 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.368 -5.020 -5.161 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -1.704 -4.615 -6.265 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -2.007 -5.635 -4.839 1.00 1.31 H new ATOM 763 N GLU A 54 -3.937 -5.468 -7.419 1.00 0.45 N ATOM 764 CA GLU A 54 -4.595 -4.335 -8.048 1.00 0.52 C ATOM 765 C GLU A 54 -4.444 -3.102 -7.167 1.00 0.46 C ATOM 766 O GLU A 54 -4.563 -3.188 -5.943 1.00 0.59 O ATOM 767 CB GLU A 54 -6.078 -4.645 -8.274 1.00 0.71 C ATOM 768 CG GLU A 54 -6.807 -5.082 -7.010 1.00 1.35 C ATOM 769 CD GLU A 54 -8.278 -5.363 -7.235 1.00 1.86 C ATOM 770 OE1 GLU A 54 -8.609 -6.467 -7.724 1.00 2.18 O ATOM 771 OE2 GLU A 54 -9.109 -4.489 -6.910 1.00 2.45 O ATOM 0 H GLU A 54 -4.344 -5.739 -6.524 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.129 -4.142 -9.014 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -6.568 -3.760 -8.679 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -6.167 -5.430 -9.025 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -6.329 -5.978 -6.615 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -6.704 -4.305 -6.252 1.00 1.35 H new ATOM 778 N ASN A 55 -4.162 -1.962 -7.768 1.00 0.49 N ATOM 779 CA ASN A 55 -4.085 -0.728 -7.000 1.00 0.46 C ATOM 780 C ASN A 55 -5.316 0.131 -7.235 1.00 0.46 C ATOM 781 O ASN A 55 -5.862 0.177 -8.338 1.00 0.65 O ATOM 782 CB ASN A 55 -2.798 0.071 -7.272 1.00 0.62 C ATOM 783 CG ASN A 55 -2.510 0.387 -8.740 1.00 1.21 C ATOM 784 OD1 ASN A 55 -1.358 0.612 -9.106 1.00 1.84 O ATOM 785 ND2 ASN A 55 -3.524 0.416 -9.586 1.00 1.93 N ATOM 0 H ASN A 55 -3.985 -1.861 -8.767 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.052 -1.017 -5.950 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -2.852 1.010 -6.721 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -1.954 -0.487 -6.867 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -3.361 0.629 -10.570 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -4.470 0.225 -9.255 1.00 1.93 H new ATOM 792 N LYS A 56 -5.761 0.784 -6.179 1.00 0.42 N ATOM 793 CA LYS A 56 -6.958 1.604 -6.228 1.00 0.43 C ATOM 794 C LYS A 56 -6.826 2.765 -5.265 1.00 0.46 C ATOM 795 O LYS A 56 -6.937 2.594 -4.048 1.00 0.53 O ATOM 796 CB LYS A 56 -8.196 0.773 -5.880 1.00 0.55 C ATOM 797 CG LYS A 56 -7.882 -0.624 -5.363 1.00 1.03 C ATOM 798 CD LYS A 56 -8.287 -0.801 -3.911 1.00 0.62 C ATOM 799 CE LYS A 56 -9.770 -0.542 -3.704 1.00 1.26 C ATOM 800 NZ LYS A 56 -10.629 -1.257 -4.691 1.00 1.42 N ATOM 0 H LYS A 56 -5.306 0.762 -5.266 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.074 1.989 -7.241 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -8.778 1.305 -5.127 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.824 0.688 -6.767 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -8.400 -1.362 -5.976 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -6.814 -0.817 -5.467 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -8.046 -1.813 -3.587 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.708 -0.120 -3.287 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -10.050 -0.850 -2.697 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.960 0.529 -3.774 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.622 -1.211 -4.384 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -10.534 -0.808 -5.624 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -10.331 -2.252 -4.754 1.00 1.42 H new ATOM 814 N TYR A 57 -6.584 3.941 -5.807 1.00 0.48 N ATOM 815 CA TYR A 57 -6.362 5.112 -4.986 1.00 0.56 C ATOM 816 C TYR A 57 -7.427 6.168 -5.196 1.00 0.57 C ATOM 817 O TYR A 57 -7.782 6.505 -6.327 1.00 0.71 O ATOM 818 CB TYR A 57 -4.990 5.728 -5.234 1.00 0.69 C ATOM 819 CG TYR A 57 -4.159 5.090 -6.325 1.00 0.54 C ATOM 820 CD1 TYR A 57 -4.253 5.526 -7.638 1.00 0.91 C ATOM 821 CD2 TYR A 57 -3.257 4.076 -6.034 1.00 0.61 C ATOM 822 CE1 TYR A 57 -3.471 4.968 -8.630 1.00 1.19 C ATOM 823 CE2 TYR A 57 -2.477 3.510 -7.022 1.00 0.98 C ATOM 824 CZ TYR A 57 -2.588 3.962 -8.320 1.00 1.19 C ATOM 825 OH TYR A 57 -1.802 3.410 -9.309 1.00 1.66 O ATOM 0 H TYR A 57 -6.536 4.111 -6.812 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.414 4.765 -3.954 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.127 6.781 -5.479 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.423 5.688 -4.304 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -4.948 6.314 -7.889 1.00 0.91 H new ATOM 0 HD2 TYR A 57 -3.164 3.724 -5.017 1.00 0.61 H new ATOM 0 HE1 TYR A 57 -3.553 5.322 -9.647 1.00 1.19 H new ATOM 0 HE2 TYR A 57 -1.784 2.718 -6.780 1.00 0.98 H new ATOM 0 HH TYR A 57 -1.365 2.602 -8.967 1.00 1.66 H new ATOM 835 N PHE A 58 -7.944 6.677 -4.091 1.00 0.52 N ATOM 836 CA PHE A 58 -8.857 7.800 -4.114 1.00 0.60 C ATOM 837 C PHE A 58 -8.425 8.835 -3.083 1.00 0.73 C ATOM 838 O PHE A 58 -8.728 8.697 -1.899 1.00 0.80 O ATOM 839 CB PHE A 58 -10.275 7.330 -3.768 1.00 0.67 C ATOM 840 CG PHE A 58 -10.845 6.312 -4.717 1.00 0.96 C ATOM 841 CD1 PHE A 58 -11.530 6.712 -5.852 1.00 1.19 C ATOM 842 CD2 PHE A 58 -10.708 4.956 -4.464 1.00 1.56 C ATOM 843 CE1 PHE A 58 -12.065 5.779 -6.719 1.00 1.65 C ATOM 844 CE2 PHE A 58 -11.243 4.020 -5.325 1.00 2.14 C ATOM 845 CZ PHE A 58 -11.922 4.431 -6.453 1.00 2.08 C ATOM 0 H PHE A 58 -7.742 6.322 -3.156 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.846 8.238 -5.112 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -10.269 6.908 -2.763 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.936 8.197 -3.745 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -11.647 7.765 -6.062 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -10.176 4.628 -3.583 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -12.594 6.103 -7.603 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -11.130 2.966 -5.116 1.00 2.14 H new ATOM 0 HZ PHE A 58 -12.342 3.700 -7.128 1.00 2.08 H new ATOM 990 N GLY A 69 -7.422 10.651 2.190 1.00 1.49 N ATOM 991 CA GLY A 69 -7.423 9.897 0.962 1.00 1.05 C ATOM 992 C GLY A 69 -7.502 8.415 1.218 1.00 0.84 C ATOM 993 O GLY A 69 -7.558 7.980 2.366 1.00 1.12 O ATOM 0 HA2 GLY A 69 -8.268 10.205 0.346 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -6.518 10.121 0.397 1.00 1.05 H new ATOM 997 N THR A 70 -7.503 7.646 0.151 1.00 0.52 N ATOM 998 CA THR A 70 -7.612 6.211 0.242 1.00 0.46 C ATOM 999 C THR A 70 -6.983 5.547 -0.966 1.00 0.39 C ATOM 1000 O THR A 70 -7.662 5.155 -1.912 1.00 0.44 O ATOM 1001 CB THR A 70 -9.072 5.769 0.386 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.953 6.807 -0.065 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.360 5.418 1.833 1.00 0.59 C ATOM 0 H THR A 70 -7.428 8.000 -0.803 1.00 0.52 H new ATOM 0 HA THR A 70 -7.073 5.898 1.136 1.00 0.46 H new ATOM 0 HB THR A 70 -9.240 4.886 -0.231 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.883 6.512 0.031 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.399 5.104 1.931 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.704 4.606 2.148 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.184 6.291 2.461 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.678 5.420 -0.911 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.912 4.793 -1.966 1.00 0.34 C ATOM 1013 C GLU A 71 -4.511 3.403 -1.506 1.00 0.31 C ATOM 1014 O GLU A 71 -3.590 3.254 -0.709 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.662 5.634 -2.266 1.00 0.36 C ATOM 1016 CG GLU A 71 -3.956 7.121 -2.430 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.790 7.902 -3.005 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -1.919 8.349 -2.225 1.00 0.53 O ATOM 1019 OE2 GLU A 71 -2.753 8.085 -4.237 1.00 0.81 O ATOM 0 H GLU A 71 -5.113 5.750 -0.129 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.508 4.722 -2.876 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -2.942 5.501 -1.459 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.193 5.262 -3.177 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.822 7.244 -3.080 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.223 7.541 -1.460 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.195 2.376 -1.987 1.00 0.31 N ATOM 1027 CA HIS A 72 -4.928 1.042 -1.481 1.00 0.32 C ATOM 1028 C HIS A 72 -4.329 0.157 -2.552 1.00 0.29 C ATOM 1029 O HIS A 72 -4.593 0.314 -3.744 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.149 0.302 -0.905 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.350 1.098 -0.475 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.273 0.592 0.413 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.821 2.311 -0.838 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.254 1.452 0.565 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -9.009 2.507 -0.183 1.00 0.53 N ATOM 0 H HIS A 72 -5.917 2.437 -2.705 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.231 1.218 -0.662 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.482 -0.416 -1.654 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -5.809 -0.272 -0.043 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.205 -0.312 0.881 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.347 3.001 -1.521 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.118 1.316 1.198 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.545 -0.786 -2.087 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.885 -1.767 -2.914 1.00 0.25 C ATOM 1046 C PHE A 73 -3.359 -3.156 -2.522 1.00 0.25 C ATOM 1047 O PHE A 73 -2.969 -3.690 -1.492 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.383 -1.621 -2.714 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.821 -0.442 -3.453 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -1.013 0.845 -2.984 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.091 -0.624 -4.618 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.486 1.929 -3.658 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.439 0.455 -5.295 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.193 1.745 -4.831 1.00 1.13 C ATOM 0 H PHE A 73 -3.343 -0.895 -1.093 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.123 -1.615 -3.967 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.169 -1.516 -1.650 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -0.884 -2.530 -3.051 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.582 1.004 -2.080 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.064 -1.622 -5.000 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.610 2.924 -3.258 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.040 0.300 -6.179 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.538 2.598 -5.396 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.211 -3.731 -3.339 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.872 -4.977 -2.996 1.00 0.30 C ATOM 1066 C HIS A 74 -4.263 -6.141 -3.759 1.00 0.31 C ATOM 1067 O HIS A 74 -4.530 -6.309 -4.944 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.367 -4.883 -3.323 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.172 -4.060 -2.362 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.524 -4.230 -2.204 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -6.819 -3.078 -1.496 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -8.967 -3.403 -1.284 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -7.955 -2.690 -0.828 1.00 0.45 N ATOM 0 H HIS A 74 -4.466 -3.356 -4.252 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.739 -5.149 -1.928 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.480 -4.463 -4.322 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.782 -5.891 -3.352 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -5.827 -2.675 -1.357 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -9.992 -3.320 -0.955 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -8.007 -1.974 -0.104 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.466 -6.963 -3.092 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.895 -8.120 -3.749 1.00 0.26 C ATOM 1084 C VAL A 75 -3.646 -9.373 -3.329 1.00 0.25 C ATOM 1085 O VAL A 75 -3.760 -9.712 -2.146 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.347 -8.266 -3.542 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.832 -7.417 -2.394 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -0.939 -9.720 -3.339 1.00 0.87 C ATOM 0 H VAL A 75 -3.206 -6.850 -2.112 1.00 0.25 H new ATOM 0 HA VAL A 75 -3.018 -7.973 -4.822 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.887 -7.900 -4.460 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.245 -7.555 -2.294 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -1.046 -6.367 -2.593 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.324 -7.718 -1.469 1.00 0.71 H new ATOM 0 HG21 VAL A 75 0.140 -9.779 -3.199 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.441 -10.119 -2.458 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.224 -10.303 -4.215 1.00 0.87 H new ATOM 1098 N THR A 76 -4.197 -10.033 -4.317 1.00 0.28 N ATOM 1099 CA THR A 76 -4.956 -11.234 -4.102 1.00 0.32 C ATOM 1100 C THR A 76 -4.087 -12.406 -4.490 1.00 0.34 C ATOM 1101 O THR A 76 -3.855 -12.628 -5.673 1.00 0.39 O ATOM 1102 CB THR A 76 -6.230 -11.239 -4.968 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.867 -9.955 -4.902 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.198 -12.321 -4.511 1.00 0.45 C ATOM 0 H THR A 76 -4.130 -9.750 -5.295 1.00 0.28 H new ATOM 0 HA THR A 76 -5.255 -11.295 -3.056 1.00 0.32 H new ATOM 0 HB THR A 76 -5.943 -11.451 -5.998 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.676 -9.962 -5.455 1.00 0.46 H new ATOM 0 HG21 THR A 76 -8.088 -12.302 -5.140 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.718 -13.296 -4.591 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.482 -12.141 -3.474 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.568 -13.108 -3.492 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.673 -14.233 -3.722 1.00 0.41 C ATOM 1114 C VAL A 77 -2.855 -15.295 -2.643 1.00 0.45 C ATOM 1115 O VAL A 77 -3.191 -14.977 -1.502 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.188 -13.770 -3.746 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.826 -13.039 -2.459 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.243 -14.945 -3.974 1.00 1.04 C ATOM 0 H VAL A 77 -3.754 -12.916 -2.508 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.925 -14.660 -4.693 1.00 0.41 H new ATOM 0 HB VAL A 77 -1.074 -13.079 -4.581 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.217 -12.725 -2.500 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.464 -12.163 -2.346 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -0.971 -13.705 -1.609 1.00 0.90 H new ATOM 0 HG21 VAL A 77 0.786 -14.587 -3.985 1.00 1.04 H new ATOM 0 HG22 VAL A 77 -0.366 -15.672 -3.171 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.473 -15.417 -4.929 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.673 -16.556 -3.018 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.541 -17.617 -2.043 1.00 0.41 C ATOM 1130 C LYS A 78 -1.305 -18.450 -2.390 1.00 0.40 C ATOM 1131 O LYS A 78 -1.281 -19.210 -3.360 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.823 -18.470 -1.929 1.00 0.48 C ATOM 1133 CG LYS A 78 -3.990 -19.577 -2.965 1.00 0.77 C ATOM 1134 CD LYS A 78 -4.234 -19.037 -4.364 1.00 0.61 C ATOM 1135 CE LYS A 78 -4.064 -20.122 -5.419 1.00 1.29 C ATOM 1136 NZ LYS A 78 -4.874 -21.331 -5.126 1.00 1.54 N ATOM 0 H LYS A 78 -2.614 -16.862 -3.989 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.405 -17.182 -1.053 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.846 -18.922 -0.938 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.684 -17.805 -1.996 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -3.096 -20.201 -2.971 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.824 -20.217 -2.676 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -5.241 -18.623 -4.425 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -3.541 -18.220 -4.566 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -4.349 -19.725 -6.393 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -3.012 -20.400 -5.483 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -4.886 -21.951 -5.961 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -4.457 -21.841 -4.321 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -5.847 -21.048 -4.890 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.248 -18.229 -1.635 1.00 0.39 N ATOM 1151 CA ALA A 79 1.027 -18.888 -1.867 1.00 0.40 C ATOM 1152 C ALA A 79 1.923 -18.679 -0.661 1.00 0.43 C ATOM 1153 O ALA A 79 1.621 -17.843 0.174 1.00 0.67 O ATOM 1154 CB ALA A 79 1.690 -18.347 -3.126 1.00 0.46 C ATOM 0 H ALA A 79 -0.246 -17.587 -0.842 1.00 0.39 H new ATOM 0 HA ALA A 79 0.859 -19.955 -2.011 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.643 -18.853 -3.282 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.041 -18.524 -3.984 1.00 0.46 H new ATOM 0 HB3 ALA A 79 1.862 -17.276 -3.015 1.00 0.46 H new ATOM 1160 N ALA A 80 3.007 -19.433 -0.569 1.00 0.34 N ATOM 1161 CA ALA A 80 3.909 -19.317 0.566 1.00 0.33 C ATOM 1162 C ALA A 80 5.089 -18.412 0.233 1.00 0.34 C ATOM 1163 O ALA A 80 6.018 -18.811 -0.475 1.00 0.44 O ATOM 1164 CB ALA A 80 4.394 -20.689 1.005 1.00 0.37 C ATOM 0 H ALA A 80 3.283 -20.128 -1.262 1.00 0.34 H new ATOM 0 HA ALA A 80 3.359 -18.865 1.391 1.00 0.33 H new ATOM 0 HB1 ALA A 80 5.068 -20.582 1.855 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.540 -21.302 1.294 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.923 -21.169 0.181 1.00 0.37 H new ATOM 1170 N GLY A 81 5.032 -17.189 0.730 1.00 0.28 N ATOM 1171 CA GLY A 81 6.102 -16.236 0.520 1.00 0.29 C ATOM 1172 C GLY A 81 6.010 -15.081 1.487 1.00 0.25 C ATOM 1173 O GLY A 81 5.005 -14.917 2.167 1.00 0.26 O ATOM 0 H GLY A 81 4.252 -16.834 1.283 1.00 0.28 H new ATOM 0 HA2 GLY A 81 7.064 -16.735 0.638 1.00 0.29 H new ATOM 0 HA3 GLY A 81 6.061 -15.860 -0.502 1.00 0.29 H new ATOM 1177 N THR A 82 7.047 -14.286 1.581 1.00 0.26 N ATOM 1178 CA THR A 82 6.997 -13.125 2.442 1.00 0.25 C ATOM 1179 C THR A 82 6.798 -11.871 1.600 1.00 0.25 C ATOM 1180 O THR A 82 7.365 -11.738 0.516 1.00 0.30 O ATOM 1181 CB THR A 82 8.269 -13.008 3.296 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.640 -14.305 3.785 1.00 0.40 O ATOM 1183 CG2 THR A 82 8.036 -12.081 4.478 1.00 0.36 C ATOM 0 H THR A 82 7.926 -14.416 1.080 1.00 0.26 H new ATOM 0 HA THR A 82 6.154 -13.236 3.124 1.00 0.25 H new ATOM 0 HB THR A 82 9.066 -12.599 2.675 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.452 -14.230 4.328 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.948 -12.011 5.071 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.762 -11.090 4.115 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.230 -12.476 5.097 1.00 0.36 H new ATOM 1191 N HIS A 83 5.970 -10.970 2.096 1.00 0.24 N ATOM 1192 CA HIS A 83 5.547 -9.806 1.339 1.00 0.25 C ATOM 1193 C HIS A 83 6.091 -8.530 1.976 1.00 0.24 C ATOM 1194 O HIS A 83 5.573 -8.062 2.987 1.00 0.24 O ATOM 1195 CB HIS A 83 4.014 -9.740 1.312 1.00 0.27 C ATOM 1196 CG HIS A 83 3.439 -8.926 0.192 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.865 -7.655 -0.117 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.442 -9.206 -0.681 1.00 0.37 C ATOM 1199 CE1 HIS A 83 3.152 -7.182 -1.123 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.280 -8.104 -1.485 1.00 0.39 N ATOM 0 H HIS A 83 5.572 -11.024 3.034 1.00 0.24 H new ATOM 0 HA HIS A 83 5.934 -9.891 0.324 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.622 -10.755 1.243 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.665 -9.327 2.259 1.00 0.27 H new ATOM 0 HD1 HIS A 83 4.616 -7.155 0.358 1.00 0.40 H new ATOM 0 HD2 HIS A 83 1.878 -10.126 -0.735 1.00 0.37 H new ATOM 0 HE1 HIS A 83 3.264 -6.207 -1.573 1.00 0.40 H new ATOM 1209 N ALA A 84 7.109 -7.955 1.365 1.00 0.25 N ATOM 1210 CA ALA A 84 7.667 -6.698 1.838 1.00 0.25 C ATOM 1211 C ALA A 84 7.175 -5.569 0.951 1.00 0.25 C ATOM 1212 O ALA A 84 7.554 -5.465 -0.215 1.00 0.35 O ATOM 1213 CB ALA A 84 9.187 -6.756 1.844 1.00 0.31 C ATOM 0 H ALA A 84 7.569 -8.337 0.539 1.00 0.25 H new ATOM 0 HA ALA A 84 7.338 -6.519 2.861 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.586 -5.806 2.201 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.518 -7.559 2.503 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.548 -6.944 0.833 1.00 0.31 H new ATOM 1219 N VAL A 85 6.305 -4.735 1.498 1.00 0.22 N ATOM 1220 CA VAL A 85 5.635 -3.723 0.696 1.00 0.23 C ATOM 1221 C VAL A 85 6.224 -2.349 0.947 1.00 0.22 C ATOM 1222 O VAL A 85 5.974 -1.737 1.985 1.00 0.25 O ATOM 1223 CB VAL A 85 4.127 -3.668 1.006 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.354 -3.114 -0.179 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.610 -5.034 1.418 1.00 0.59 C ATOM 0 H VAL A 85 6.048 -4.738 2.485 1.00 0.22 H new ATOM 0 HA VAL A 85 5.782 -4.003 -0.347 1.00 0.23 H new ATOM 0 HB VAL A 85 3.974 -2.991 1.847 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.291 -3.084 0.062 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.704 -2.106 -0.403 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.511 -3.754 -1.047 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.543 -4.970 1.632 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.776 -5.745 0.609 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.139 -5.370 2.310 1.00 0.59 H new ATOM 1235 N ASN A 86 7.019 -1.884 -0.006 1.00 0.22 N ATOM 1236 CA ASN A 86 7.577 -0.540 0.040 1.00 0.22 C ATOM 1237 C ASN A 86 6.856 0.330 -0.974 1.00 0.20 C ATOM 1238 O ASN A 86 7.089 0.221 -2.178 1.00 0.24 O ATOM 1239 CB ASN A 86 9.083 -0.540 -0.261 1.00 0.28 C ATOM 1240 CG ASN A 86 9.937 -1.201 0.814 1.00 0.85 C ATOM 1241 OD1 ASN A 86 11.055 -0.766 1.081 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.436 -2.263 1.424 1.00 0.94 N ATOM 0 H ASN A 86 7.294 -2.423 -0.827 1.00 0.22 H new ATOM 0 HA ASN A 86 7.439 -0.146 1.047 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.252 -1.051 -1.209 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.416 0.490 -0.391 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.981 -2.745 2.139 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.505 -2.599 1.180 1.00 0.94 H new ATOM 1249 N LEU A 87 5.979 1.178 -0.477 1.00 0.18 N ATOM 1250 CA LEU A 87 5.180 2.037 -1.329 1.00 0.19 C ATOM 1251 C LEU A 87 5.683 3.469 -1.247 1.00 0.18 C ATOM 1252 O LEU A 87 5.762 4.043 -0.171 1.00 0.18 O ATOM 1253 CB LEU A 87 3.709 1.959 -0.923 1.00 0.20 C ATOM 1254 CG LEU A 87 3.064 0.584 -1.110 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.694 0.542 -0.463 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.960 0.259 -2.581 1.00 0.22 C ATOM 0 H LEU A 87 5.800 1.292 0.521 1.00 0.18 H new ATOM 0 HA LEU A 87 5.272 1.697 -2.361 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.620 2.247 0.124 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.147 2.690 -1.504 1.00 0.20 H new ATOM 0 HG LEU A 87 3.692 -0.163 -0.625 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.253 -0.444 -0.608 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.789 0.744 0.604 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.053 1.296 -0.919 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.500 -0.721 -2.705 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.349 1.012 -3.078 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.956 0.251 -3.023 1.00 0.22 H new ATOM 1268 N THR A 88 6.002 4.041 -2.386 1.00 0.21 N ATOM 1269 CA THR A 88 6.655 5.327 -2.436 1.00 0.21 C ATOM 1270 C THR A 88 5.674 6.436 -2.820 1.00 0.21 C ATOM 1271 O THR A 88 5.082 6.427 -3.901 1.00 0.29 O ATOM 1272 CB THR A 88 7.826 5.279 -3.433 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.511 4.028 -3.297 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.807 6.413 -3.175 1.00 0.29 C ATOM 0 H THR A 88 5.816 3.629 -3.300 1.00 0.21 H new ATOM 0 HA THR A 88 7.038 5.554 -1.441 1.00 0.21 H new ATOM 0 HB THR A 88 7.426 5.386 -4.441 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.112 3.369 -3.903 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.625 6.357 -3.893 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.295 7.369 -3.283 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.205 6.327 -2.164 1.00 0.29 H new ATOM 1282 N TYR A 89 5.511 7.377 -1.904 1.00 0.24 N ATOM 1283 CA TYR A 89 4.642 8.528 -2.081 1.00 0.27 C ATOM 1284 C TYR A 89 5.381 9.605 -2.874 1.00 0.27 C ATOM 1285 O TYR A 89 6.065 10.455 -2.295 1.00 0.30 O ATOM 1286 CB TYR A 89 4.227 9.053 -0.696 1.00 0.37 C ATOM 1287 CG TYR A 89 3.130 10.095 -0.708 1.00 0.45 C ATOM 1288 CD1 TYR A 89 1.802 9.731 -0.799 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.427 11.444 -0.638 1.00 1.00 C ATOM 1290 CE1 TYR A 89 0.805 10.682 -0.814 1.00 0.69 C ATOM 1291 CE2 TYR A 89 2.434 12.402 -0.654 1.00 1.11 C ATOM 1292 CZ TYR A 89 1.112 12.006 -0.726 1.00 0.68 C ATOM 1293 OH TYR A 89 0.119 12.960 -0.746 1.00 0.80 O ATOM 0 H TYR A 89 5.987 7.362 -1.002 1.00 0.24 H new ATOM 0 HA TYR A 89 3.747 8.248 -2.636 1.00 0.27 H new ATOM 0 HB2 TYR A 89 3.899 8.210 -0.088 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.104 9.477 -0.207 1.00 0.37 H new ATOM 0 HD1 TYR A 89 1.540 8.685 -0.859 1.00 0.68 H new ATOM 0 HD2 TYR A 89 4.459 11.755 -0.569 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -0.227 10.375 -0.896 1.00 0.69 H new ATOM 0 HE2 TYR A 89 2.687 13.451 -0.611 1.00 1.11 H new ATOM 0 HH TYR A 89 -0.002 13.287 -1.662 1.00 0.80 H new ATOM 1303 N MET A 90 5.247 9.550 -4.198 1.00 0.29 N ATOM 1304 CA MET A 90 5.991 10.438 -5.095 1.00 0.34 C ATOM 1305 C MET A 90 5.059 11.271 -5.946 1.00 0.38 C ATOM 1306 O MET A 90 3.903 10.914 -6.145 1.00 0.47 O ATOM 1307 CB MET A 90 6.861 9.649 -6.059 1.00 0.37 C ATOM 1308 CG MET A 90 7.770 8.641 -5.411 1.00 0.36 C ATOM 1309 SD MET A 90 8.793 7.791 -6.625 1.00 0.65 S ATOM 1310 CE MET A 90 7.559 7.397 -7.868 1.00 0.54 C ATOM 0 H MET A 90 4.627 8.897 -4.677 1.00 0.29 H new ATOM 0 HA MET A 90 6.599 11.072 -4.450 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.215 9.131 -6.768 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.469 10.348 -6.633 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.409 9.142 -4.683 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.173 7.912 -4.863 1.00 0.36 H new ATOM 0 HE1 MET A 90 7.977 6.689 -8.584 1.00 0.54 H new ATOM 0 HE2 MET A 90 6.687 6.955 -7.387 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.263 8.308 -8.389 1.00 0.54 H new ATOM 1320 N ARG A 91 5.580 12.381 -6.450 1.00 0.40 N ATOM 1321 CA ARG A 91 4.906 13.139 -7.493 1.00 0.49 C ATOM 1322 C ARG A 91 4.971 12.326 -8.786 1.00 0.58 C ATOM 1323 O ARG A 91 6.020 12.249 -9.403 1.00 0.65 O ATOM 1324 CB ARG A 91 5.581 14.504 -7.688 1.00 0.55 C ATOM 1325 CG ARG A 91 4.698 15.687 -7.321 1.00 0.67 C ATOM 1326 CD ARG A 91 5.418 17.012 -7.528 1.00 0.79 C ATOM 1327 NE ARG A 91 6.428 17.261 -6.503 1.00 1.37 N ATOM 1328 CZ ARG A 91 7.454 18.104 -6.645 1.00 1.71 C ATOM 1329 NH1 ARG A 91 7.649 18.746 -7.789 1.00 1.74 N ATOM 1330 NH2 ARG A 91 8.284 18.316 -5.634 1.00 2.59 N ATOM 0 H ARG A 91 6.471 12.777 -6.151 1.00 0.40 H new ATOM 0 HA ARG A 91 3.868 13.319 -7.212 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.488 14.539 -7.084 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.887 14.601 -8.730 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.792 15.667 -7.927 1.00 0.67 H new ATOM 0 HG3 ARG A 91 4.387 15.600 -6.280 1.00 0.67 H new ATOM 0 HD2 ARG A 91 5.892 17.016 -8.510 1.00 0.79 H new ATOM 0 HD3 ARG A 91 4.690 17.823 -7.522 1.00 0.79 H new ATOM 0 HE ARG A 91 6.344 16.758 -5.620 1.00 1.37 H new ATOM 0 HH11 ARG A 91 7.012 18.598 -8.572 1.00 1.74 H new ATOM 0 HH12 ARG A 91 8.436 19.388 -7.886 1.00 1.74 H new ATOM 0 HH21 ARG A 91 8.140 17.835 -4.746 1.00 2.59 H new ATOM 0 HH22 ARG A 91 9.067 18.960 -5.744 1.00 2.59 H new ATOM 1344 N PRO A 92 3.857 11.710 -9.205 1.00 0.67 N ATOM 1345 CA PRO A 92 3.839 10.722 -10.301 1.00 0.81 C ATOM 1346 C PRO A 92 4.508 11.190 -11.600 1.00 0.91 C ATOM 1347 O PRO A 92 5.005 10.369 -12.371 1.00 1.04 O ATOM 1348 CB PRO A 92 2.343 10.466 -10.539 1.00 0.92 C ATOM 1349 CG PRO A 92 1.632 11.550 -9.803 1.00 0.88 C ATOM 1350 CD PRO A 92 2.513 11.906 -8.648 1.00 0.72 C ATOM 0 HA PRO A 92 4.413 9.840 -10.018 1.00 0.81 H new ATOM 0 HB2 PRO A 92 2.105 10.492 -11.602 1.00 0.92 H new ATOM 0 HB3 PRO A 92 2.049 9.483 -10.170 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.463 12.414 -10.446 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.654 11.213 -9.459 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.356 12.933 -8.318 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.333 11.263 -7.786 1.00 0.72 H new ATOM 1358 N TRP A 93 4.525 12.495 -11.846 1.00 0.90 N ATOM 1359 CA TRP A 93 5.104 13.028 -13.078 1.00 1.03 C ATOM 1360 C TRP A 93 6.567 13.445 -12.885 1.00 1.03 C ATOM 1361 O TRP A 93 7.192 13.989 -13.798 1.00 1.17 O ATOM 1362 CB TRP A 93 4.269 14.205 -13.598 1.00 1.08 C ATOM 1363 CG TRP A 93 4.063 15.295 -12.593 1.00 0.98 C ATOM 1364 CD1 TRP A 93 4.825 16.412 -12.426 1.00 1.01 C ATOM 1365 CD2 TRP A 93 3.020 15.371 -11.615 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.326 17.173 -11.398 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.218 16.556 -10.886 1.00 0.94 C ATOM 1368 CE3 TRP A 93 1.943 14.551 -11.285 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.376 16.941 -9.847 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.108 14.931 -10.253 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.328 16.116 -9.545 1.00 0.99 C ATOM 0 H TRP A 93 4.148 13.201 -11.214 1.00 0.90 H new ATOM 0 HA TRP A 93 5.088 12.231 -13.822 1.00 1.03 H new ATOM 0 HB2 TRP A 93 4.758 14.623 -14.478 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.296 13.833 -13.920 1.00 1.08 H new ATOM 0 HD1 TRP A 93 5.694 16.662 -13.016 1.00 1.01 H new ATOM 0 HE1 TRP A 93 4.718 18.055 -11.069 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.764 13.634 -11.827 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.544 17.857 -9.300 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.271 14.302 -9.988 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.657 16.386 -8.743 1.00 0.99 H new ATOM 1382 N THR A 94 7.106 13.183 -11.703 1.00 0.91 N ATOM 1383 CA THR A 94 8.506 13.464 -11.404 1.00 0.95 C ATOM 1384 C THR A 94 8.914 12.793 -10.089 1.00 0.86 C ATOM 1385 O THR A 94 9.602 11.771 -10.096 1.00 1.07 O ATOM 1386 CB THR A 94 8.803 14.991 -11.366 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.091 15.232 -10.790 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.744 15.766 -10.591 1.00 0.85 C ATOM 0 H THR A 94 6.589 12.771 -10.926 1.00 0.91 H new ATOM 0 HA THR A 94 9.105 13.046 -12.213 1.00 0.95 H new ATOM 0 HB THR A 94 8.787 15.345 -12.397 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.267 16.196 -10.773 1.00 1.09 H new ATOM 0 HG21 THR A 94 7.995 16.827 -10.593 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.771 15.623 -11.062 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.707 15.404 -9.564 1.00 0.85 H new ATOM 1396 N GLY A 95 8.466 13.355 -8.973 1.00 0.64 N ATOM 1397 CA GLY A 95 8.705 12.755 -7.677 1.00 0.60 C ATOM 1398 C GLY A 95 10.158 12.791 -7.271 1.00 0.70 C ATOM 1399 O GLY A 95 10.853 11.781 -7.374 1.00 1.16 O ATOM 0 H GLY A 95 7.936 14.226 -8.945 1.00 0.64 H new ATOM 0 HA2 GLY A 95 8.110 13.276 -6.926 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.363 11.720 -7.693 1.00 0.60 H new ATOM 1403 N PRO A 96 10.651 13.963 -6.848 1.00 0.64 N ATOM 1404 CA PRO A 96 11.956 14.089 -6.211 1.00 0.90 C ATOM 1405 C PRO A 96 12.161 13.003 -5.162 1.00 0.98 C ATOM 1406 O PRO A 96 11.430 12.930 -4.176 1.00 1.17 O ATOM 1407 CB PRO A 96 11.917 15.463 -5.562 1.00 1.02 C ATOM 1408 CG PRO A 96 10.561 16.030 -5.825 1.00 1.20 C ATOM 1409 CD PRO A 96 9.990 15.262 -6.975 1.00 0.97 C ATOM 0 HA PRO A 96 12.777 13.980 -6.919 1.00 0.90 H new ATOM 0 HB2 PRO A 96 12.103 15.389 -4.491 1.00 1.02 H new ATOM 0 HB3 PRO A 96 12.692 16.108 -5.977 1.00 1.02 H new ATOM 0 HG2 PRO A 96 9.925 15.938 -4.944 1.00 1.20 H new ATOM 0 HG3 PRO A 96 10.625 17.092 -6.062 1.00 1.20 H new ATOM 0 HD2 PRO A 96 8.906 15.174 -6.906 1.00 0.97 H new ATOM 0 HD3 PRO A 96 10.211 15.738 -7.930 1.00 0.97 H new ATOM 1417 N SER A 97 13.165 12.161 -5.400 1.00 1.20 N ATOM 1418 CA SER A 97 13.381 10.945 -4.621 1.00 1.48 C ATOM 1419 C SER A 97 13.493 11.222 -3.123 1.00 1.31 C ATOM 1420 O SER A 97 12.981 10.454 -2.310 1.00 1.86 O ATOM 1421 CB SER A 97 14.647 10.245 -5.105 1.00 2.04 C ATOM 1422 OG SER A 97 14.667 10.149 -6.523 1.00 2.64 O ATOM 0 H SER A 97 13.852 12.304 -6.140 1.00 1.20 H new ATOM 0 HA SER A 97 12.511 10.306 -4.771 1.00 1.48 H new ATOM 0 HB2 SER A 97 15.524 10.794 -4.762 1.00 2.04 H new ATOM 0 HB3 SER A 97 14.705 9.248 -4.669 1.00 2.04 H new ATOM 0 HG SER A 97 15.489 9.698 -6.809 1.00 2.64 H new ATOM 1428 N HIS A 98 14.157 12.312 -2.764 1.00 1.20 N ATOM 1429 CA HIS A 98 14.352 12.653 -1.359 1.00 1.22 C ATOM 1430 C HIS A 98 13.141 13.395 -0.797 1.00 0.98 C ATOM 1431 O HIS A 98 12.940 13.438 0.416 1.00 1.07 O ATOM 1432 CB HIS A 98 15.629 13.486 -1.183 1.00 1.58 C ATOM 1433 CG HIS A 98 15.860 13.968 0.221 1.00 2.34 C ATOM 1434 ND1 HIS A 98 16.253 13.137 1.248 1.00 3.02 N ATOM 1435 CD2 HIS A 98 15.732 15.201 0.766 1.00 3.23 C ATOM 1436 CE1 HIS A 98 16.354 13.837 2.362 1.00 3.95 C ATOM 1437 NE2 HIS A 98 16.045 15.090 2.097 1.00 4.09 N ATOM 0 H HIS A 98 14.569 12.974 -3.422 1.00 1.20 H new ATOM 0 HA HIS A 98 14.462 11.725 -0.798 1.00 1.22 H new ATOM 0 HB2 HIS A 98 16.485 12.889 -1.496 1.00 1.58 H new ATOM 0 HB3 HIS A 98 15.582 14.348 -1.848 1.00 1.58 H new ATOM 0 HD2 HIS A 98 15.438 16.103 0.249 1.00 3.23 H new ATOM 0 HE1 HIS A 98 16.641 13.448 3.328 1.00 3.95 H new ATOM 0 HE2 HIS A 98 16.039 15.854 2.772 1.00 4.09 H new ATOM 1446 N ASP A 99 12.322 13.955 -1.675 1.00 0.79 N ATOM 1447 CA ASP A 99 11.169 14.739 -1.241 1.00 0.79 C ATOM 1448 C ASP A 99 9.942 13.838 -1.175 1.00 0.77 C ATOM 1449 O ASP A 99 8.868 14.239 -0.723 1.00 1.35 O ATOM 1450 CB ASP A 99 10.942 15.908 -2.207 1.00 0.96 C ATOM 1451 CG ASP A 99 10.018 16.980 -1.656 1.00 1.18 C ATOM 1452 OD1 ASP A 99 9.982 17.173 -0.420 1.00 1.35 O ATOM 1453 OD2 ASP A 99 9.361 17.674 -2.466 1.00 1.67 O ATOM 0 H ASP A 99 12.431 13.884 -2.687 1.00 0.79 H new ATOM 0 HA ASP A 99 11.353 15.150 -0.248 1.00 0.79 H new ATOM 0 HB2 ASP A 99 11.904 16.359 -2.451 1.00 0.96 H new ATOM 0 HB3 ASP A 99 10.525 15.524 -3.138 1.00 0.96 H new ATOM 1458 N SER A 100 10.127 12.606 -1.628 1.00 0.51 N ATOM 1459 CA SER A 100 9.072 11.609 -1.622 1.00 0.45 C ATOM 1460 C SER A 100 9.096 10.808 -0.323 1.00 0.46 C ATOM 1461 O SER A 100 10.162 10.556 0.245 1.00 0.69 O ATOM 1462 CB SER A 100 9.242 10.669 -2.816 1.00 0.55 C ATOM 1463 OG SER A 100 9.239 11.393 -4.037 1.00 1.39 O ATOM 0 H SER A 100 11.012 12.272 -2.009 1.00 0.51 H new ATOM 0 HA SER A 100 8.111 12.118 -1.696 1.00 0.45 H new ATOM 0 HB2 SER A 100 10.177 10.117 -2.719 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.437 9.934 -2.823 1.00 0.55 H new ATOM 0 HG SER A 100 10.131 11.764 -4.200 1.00 1.39 H new ATOM 1469 N GLU A 101 7.921 10.414 0.140 1.00 0.35 N ATOM 1470 CA GLU A 101 7.808 9.608 1.347 1.00 0.40 C ATOM 1471 C GLU A 101 7.649 8.149 0.936 1.00 0.40 C ATOM 1472 O GLU A 101 7.382 7.873 -0.226 1.00 0.68 O ATOM 1473 CB GLU A 101 6.613 10.087 2.183 1.00 0.46 C ATOM 1474 CG GLU A 101 6.472 9.400 3.533 1.00 0.62 C ATOM 1475 CD GLU A 101 5.302 9.928 4.339 1.00 1.06 C ATOM 1476 OE1 GLU A 101 4.147 9.685 3.950 1.00 1.91 O ATOM 1477 OE2 GLU A 101 5.534 10.583 5.380 1.00 1.19 O ATOM 0 H GLU A 101 7.030 10.639 -0.302 1.00 0.35 H new ATOM 0 HA GLU A 101 8.702 9.710 1.962 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.706 11.161 2.344 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.699 9.928 1.611 1.00 0.46 H new ATOM 0 HG2 GLU A 101 6.348 8.328 3.379 1.00 0.62 H new ATOM 0 HG3 GLU A 101 7.391 9.536 4.103 1.00 0.62 H new ATOM 1484 N ARG A 102 7.831 7.212 1.850 1.00 0.22 N ATOM 1485 CA ARG A 102 7.670 5.813 1.505 1.00 0.18 C ATOM 1486 C ARG A 102 7.122 5.022 2.682 1.00 0.17 C ATOM 1487 O ARG A 102 7.473 5.250 3.838 1.00 0.20 O ATOM 1488 CB ARG A 102 9.005 5.218 1.026 1.00 0.23 C ATOM 1489 CG ARG A 102 8.859 4.006 0.107 1.00 0.26 C ATOM 1490 CD ARG A 102 10.212 3.492 -0.370 1.00 0.36 C ATOM 1491 NE ARG A 102 10.115 2.697 -1.602 1.00 0.37 N ATOM 1492 CZ ARG A 102 11.020 1.795 -1.981 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.004 1.440 -1.164 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.937 1.231 -3.176 1.00 0.52 N ATOM 0 H ARG A 102 8.086 7.391 2.821 1.00 0.22 H new ATOM 0 HA ARG A 102 6.950 5.746 0.689 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.567 5.991 0.502 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.594 4.930 1.897 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.333 3.210 0.635 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.248 4.275 -0.755 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.878 4.338 -0.540 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.662 2.884 0.415 1.00 0.36 H new ATOM 0 HE ARG A 102 9.305 2.845 -2.204 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.073 1.858 -0.236 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.691 0.749 -1.464 1.00 0.62 H new ATOM 0 HH21 ARG A 102 10.179 1.487 -3.809 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.631 0.541 -3.464 1.00 0.52 H new ATOM 1508 N PHE A 103 6.253 4.095 2.350 1.00 0.15 N ATOM 1509 CA PHE A 103 5.619 3.215 3.301 1.00 0.17 C ATOM 1510 C PHE A 103 6.294 1.857 3.224 1.00 0.18 C ATOM 1511 O PHE A 103 6.862 1.512 2.189 1.00 0.21 O ATOM 1512 CB PHE A 103 4.124 3.097 2.958 1.00 0.18 C ATOM 1513 CG PHE A 103 3.495 1.819 3.391 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.521 0.713 2.562 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.893 1.720 4.627 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.959 -0.471 2.960 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.329 0.535 5.029 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.363 -0.559 4.195 1.00 0.86 C ATOM 0 H PHE A 103 5.961 3.929 1.387 1.00 0.15 H new ATOM 0 HA PHE A 103 5.714 3.607 4.314 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.590 3.926 3.422 1.00 0.18 H new ATOM 0 HB3 PHE A 103 4.001 3.202 1.880 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.989 0.783 1.591 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.865 2.578 5.282 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.984 -1.331 2.307 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.859 0.461 5.999 1.00 0.78 H new ATOM 0 HZ PHE A 103 1.919 -1.491 4.513 1.00 0.86 H new ATOM 1528 N THR A 104 6.240 1.087 4.298 1.00 0.17 N ATOM 1529 CA THR A 104 6.859 -0.219 4.300 1.00 0.19 C ATOM 1530 C THR A 104 6.222 -1.128 5.342 1.00 0.17 C ATOM 1531 O THR A 104 6.506 -1.011 6.533 1.00 0.18 O ATOM 1532 CB THR A 104 8.372 -0.113 4.593 1.00 0.24 C ATOM 1533 OG1 THR A 104 9.015 0.702 3.603 1.00 0.31 O ATOM 1534 CG2 THR A 104 9.015 -1.489 4.622 1.00 0.26 C ATOM 0 H THR A 104 5.777 1.344 5.170 1.00 0.17 H new ATOM 0 HA THR A 104 6.708 -0.645 3.308 1.00 0.19 H new ATOM 0 HB THR A 104 8.495 0.349 5.572 1.00 0.24 H new ATOM 0 HG1 THR A 104 9.973 0.763 3.801 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.080 -1.389 4.830 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.549 -2.092 5.401 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.878 -1.975 3.656 1.00 0.26 H new ATOM 1542 N VAL A 105 5.360 -2.034 4.903 1.00 0.17 N ATOM 1543 CA VAL A 105 4.900 -3.081 5.789 1.00 0.17 C ATOM 1544 C VAL A 105 5.577 -4.393 5.437 1.00 0.21 C ATOM 1545 O VAL A 105 5.725 -4.746 4.263 1.00 0.25 O ATOM 1546 CB VAL A 105 3.366 -3.272 5.767 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.889 -3.722 4.400 1.00 0.79 C ATOM 1548 CG2 VAL A 105 2.938 -4.273 6.829 1.00 0.88 C ATOM 0 H VAL A 105 4.975 -2.063 3.959 1.00 0.17 H new ATOM 0 HA VAL A 105 5.168 -2.770 6.799 1.00 0.17 H new ATOM 0 HB VAL A 105 2.907 -2.308 5.986 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.806 -3.848 4.416 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.156 -2.971 3.656 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.361 -4.671 4.144 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.855 -4.395 6.799 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.417 -5.233 6.638 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.235 -3.909 7.813 1.00 0.88 H new ATOM 1558 N TYR A 106 6.012 -5.091 6.459 1.00 0.24 N ATOM 1559 CA TYR A 106 6.577 -6.410 6.294 1.00 0.28 C ATOM 1560 C TYR A 106 5.566 -7.440 6.747 1.00 0.27 C ATOM 1561 O TYR A 106 5.298 -7.576 7.936 1.00 0.36 O ATOM 1562 CB TYR A 106 7.855 -6.560 7.106 1.00 0.38 C ATOM 1563 CG TYR A 106 8.995 -5.680 6.653 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.774 -6.030 5.559 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.282 -4.492 7.310 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.809 -5.221 5.134 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.315 -3.680 6.893 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.109 -4.075 5.836 1.00 0.58 C ATOM 1569 OH TYR A 106 12.103 -3.237 5.384 1.00 0.70 O ATOM 0 H TYR A 106 5.985 -4.763 7.424 1.00 0.24 H new ATOM 0 HA TYR A 106 6.821 -6.558 5.242 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.635 -6.338 8.150 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.177 -7.600 7.063 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.567 -6.950 5.032 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.686 -4.199 8.162 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.380 -5.485 4.256 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.502 -2.740 7.391 1.00 0.57 H new ATOM 0 HH TYR A 106 12.189 -2.473 5.992 1.00 0.70 H new ATOM 1579 N LEU A 107 4.990 -8.144 5.803 1.00 0.26 N ATOM 1580 CA LEU A 107 3.983 -9.130 6.116 1.00 0.29 C ATOM 1581 C LEU A 107 4.345 -10.444 5.447 1.00 0.31 C ATOM 1582 O LEU A 107 5.023 -10.453 4.431 1.00 0.45 O ATOM 1583 CB LEU A 107 2.617 -8.629 5.643 1.00 0.39 C ATOM 1584 CG LEU A 107 2.432 -8.582 4.123 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.555 -9.729 3.647 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.850 -7.251 3.694 1.00 2.02 C ATOM 0 H LEU A 107 5.202 -8.053 4.809 1.00 0.26 H new ATOM 0 HA LEU A 107 3.935 -9.292 7.193 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.845 -9.271 6.068 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.456 -7.628 6.044 1.00 0.39 H new ATOM 0 HG LEU A 107 3.413 -8.691 3.661 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.439 -9.673 2.565 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.020 -10.678 3.914 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.576 -9.659 4.121 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.727 -7.240 2.611 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.880 -7.107 4.171 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.523 -6.447 3.991 1.00 2.02 H new ATOM 1598 N LYS A 108 3.916 -11.550 6.007 1.00 0.25 N ATOM 1599 CA LYS A 108 4.201 -12.837 5.398 1.00 0.26 C ATOM 1600 C LYS A 108 2.948 -13.367 4.738 1.00 0.24 C ATOM 1601 O LYS A 108 1.976 -13.660 5.419 1.00 0.29 O ATOM 1602 CB LYS A 108 4.698 -13.841 6.430 1.00 0.32 C ATOM 1603 CG LYS A 108 5.318 -15.079 5.800 1.00 0.45 C ATOM 1604 CD LYS A 108 5.479 -16.213 6.804 1.00 0.76 C ATOM 1605 CE LYS A 108 6.327 -15.807 8.004 1.00 1.34 C ATOM 1606 NZ LYS A 108 7.711 -15.423 7.616 1.00 1.89 N ATOM 0 H LYS A 108 3.376 -11.591 6.871 1.00 0.25 H new ATOM 0 HA LYS A 108 4.987 -12.698 4.655 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.434 -13.359 7.073 1.00 0.32 H new ATOM 0 HB3 LYS A 108 3.866 -14.141 7.067 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.694 -15.415 4.972 1.00 0.45 H new ATOM 0 HG3 LYS A 108 6.292 -14.824 5.383 1.00 0.45 H new ATOM 0 HD2 LYS A 108 4.496 -16.533 7.148 1.00 0.76 H new ATOM 0 HD3 LYS A 108 5.938 -17.070 6.311 1.00 0.76 H new ATOM 0 HE2 LYS A 108 5.851 -14.971 8.516 1.00 1.34 H new ATOM 0 HE3 LYS A 108 6.367 -16.634 8.713 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 8.272 -15.237 8.471 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 8.148 -16.198 7.077 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 7.681 -14.566 7.028 1.00 1.89 H new ATOM 1620 N ALA A 109 2.994 -13.541 3.426 1.00 0.24 N ATOM 1621 CA ALA A 109 1.810 -13.888 2.660 1.00 0.28 C ATOM 1622 C ALA A 109 1.812 -15.368 2.349 1.00 0.34 C ATOM 1623 O ALA A 109 2.617 -15.843 1.556 1.00 0.53 O ATOM 1624 CB ALA A 109 1.744 -13.068 1.375 1.00 0.37 C ATOM 0 H ALA A 109 3.843 -13.447 2.869 1.00 0.24 H new ATOM 0 HA ALA A 109 0.926 -13.657 3.255 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.850 -13.342 0.814 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.707 -12.007 1.622 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.628 -13.269 0.770 1.00 0.37 H new ATOM 1630 N ASN A 110 0.892 -16.083 2.983 1.00 0.41 N ATOM 1631 CA ASN A 110 0.881 -17.543 2.958 1.00 0.54 C ATOM 1632 C ASN A 110 -0.300 -18.071 3.755 1.00 0.95 C ATOM 1633 O ASN A 110 -0.481 -19.304 3.822 1.00 1.35 O ATOM 1634 CB ASN A 110 2.186 -18.135 3.528 1.00 0.56 C ATOM 1635 CG ASN A 110 2.416 -17.836 5.007 1.00 0.80 C ATOM 1636 OD1 ASN A 110 2.946 -18.667 5.745 1.00 1.58 O ATOM 1637 ND2 ASN A 110 2.045 -16.646 5.450 1.00 0.56 N ATOM 1638 OXT ASN A 110 -1.047 -17.243 4.313 1.00 1.78 O ATOM 0 H ASN A 110 0.134 -15.671 3.528 1.00 0.41 H new ATOM 0 HA ASN A 110 0.794 -17.850 1.916 1.00 0.54 H new ATOM 0 HB2 ASN A 110 2.174 -19.216 3.385 1.00 0.56 H new ATOM 0 HB3 ASN A 110 3.028 -17.747 2.955 1.00 0.56 H new ATOM 0 HD21 ASN A 110 2.196 -16.396 6.427 1.00 0.56 H new ATOM 0 HD22 ASN A 110 1.608 -15.979 4.814 1.00 0.56 H new