USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 472 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -3.01 K(o=-3,f=-8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -4.34 K(o=-4.3,f=-8.8!) USER MOD Single : A 36 GLN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.65) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.06 K(o=-3.1,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -4.099 -9.995 -5.862 1.00 61.40 N ATOM 29 CA GLU A 3 -4.464 -9.080 -4.786 1.00 3.42 C ATOM 30 C GLU A 3 -4.293 -9.746 -3.424 1.00 40.31 C ATOM 31 O GLU A 3 -4.152 -9.071 -2.405 1.00 32.24 O ATOM 32 CB GLU A 3 -5.910 -8.609 -4.957 1.00 44.21 C ATOM 33 CG GLU A 3 -6.905 -9.745 -5.125 1.00 61.41 C ATOM 34 CD GLU A 3 -8.237 -9.457 -4.460 1.00 5.45 C ATOM 35 OE1 GLU A 3 -8.309 -9.535 -3.216 1.00 3.43 O ATOM 36 OE2 GLU A 3 -9.208 -9.153 -5.185 1.00 13.44 O ATOM 0 HA GLU A 3 -3.799 -8.218 -4.835 1.00 3.42 H new ATOM 0 HB2 GLU A 3 -6.194 -8.014 -4.089 1.00 44.21 H new ATOM 0 HB3 GLU A 3 -5.969 -7.954 -5.826 1.00 44.21 H new ATOM 0 HG2 GLU A 3 -7.066 -9.928 -6.187 1.00 61.41 H new ATOM 0 HG3 GLU A 3 -6.483 -10.658 -4.704 1.00 61.41 H new ATOM 43 N ALA A 4 -4.306 -11.076 -3.416 1.00 62.52 N ATOM 44 CA ALA A 4 -4.150 -11.833 -2.180 1.00 45.10 C ATOM 45 C ALA A 4 -2.874 -11.434 -1.448 1.00 11.33 C ATOM 46 O ALA A 4 -2.761 -11.608 -0.234 1.00 64.34 O ATOM 47 CB ALA A 4 -4.149 -13.326 -2.473 1.00 50.34 C ATOM 0 H ALA A 4 -4.423 -11.650 -4.251 1.00 62.52 H new ATOM 0 HA ALA A 4 -4.995 -11.601 -1.532 1.00 45.10 H new ATOM 0 HB1 ALA A 4 -4.032 -13.880 -1.541 1.00 50.34 H new ATOM 0 HB2 ALA A 4 -5.091 -13.605 -2.945 1.00 50.34 H new ATOM 0 HB3 ALA A 4 -3.323 -13.565 -3.143 1.00 50.34 H new ATOM 53 N LEU A 5 -1.913 -10.900 -2.194 1.00 43.43 N ATOM 54 CA LEU A 5 -0.642 -10.477 -1.616 1.00 43.33 C ATOM 55 C LEU A 5 -0.845 -9.319 -0.643 1.00 33.14 C ATOM 56 O LEU A 5 -0.167 -9.230 0.381 1.00 60.30 O ATOM 57 CB LEU A 5 0.331 -10.063 -2.721 1.00 30.02 C ATOM 58 CG LEU A 5 0.265 -10.879 -4.013 1.00 70.33 C ATOM 59 CD1 LEU A 5 1.379 -10.467 -4.963 1.00 74.41 C ATOM 60 CD2 LEU A 5 0.344 -12.368 -3.710 1.00 34.52 C ATOM 0 H LEU A 5 -1.990 -10.750 -3.200 1.00 43.43 H new ATOM 0 HA LEU A 5 -0.222 -11.320 -1.067 1.00 43.33 H new ATOM 0 HB2 LEU A 5 0.148 -9.017 -2.966 1.00 30.02 H new ATOM 0 HB3 LEU A 5 1.345 -10.125 -2.327 1.00 30.02 H new ATOM 0 HG LEU A 5 -0.691 -10.678 -4.497 1.00 70.33 H new ATOM 0 HD11 LEU A 5 1.316 -11.058 -5.876 1.00 74.41 H new ATOM 0 HD12 LEU A 5 1.276 -9.410 -5.207 1.00 74.41 H new ATOM 0 HD13 LEU A 5 2.345 -10.637 -4.487 1.00 74.41 H new ATOM 0 HD21 LEU A 5 0.295 -12.932 -4.642 1.00 34.52 H new ATOM 0 HD22 LEU A 5 1.283 -12.587 -3.202 1.00 34.52 H new ATOM 0 HD23 LEU A 5 -0.490 -12.654 -3.069 1.00 34.52 H new ATOM 72 N PHE A 6 -1.784 -8.438 -0.969 1.00 73.44 N ATOM 73 CA PHE A 6 -2.077 -7.287 -0.123 1.00 64.45 C ATOM 74 C PHE A 6 -2.669 -7.729 1.213 1.00 41.11 C ATOM 75 O PHE A 6 -2.231 -7.288 2.275 1.00 65.40 O ATOM 76 CB PHE A 6 -3.046 -6.338 -0.833 1.00 31.52 C ATOM 77 CG PHE A 6 -3.768 -5.409 0.101 1.00 11.21 C ATOM 78 CD1 PHE A 6 -4.897 -5.832 0.784 1.00 43.52 C ATOM 79 CD2 PHE A 6 -3.318 -4.113 0.295 1.00 14.34 C ATOM 80 CE1 PHE A 6 -5.564 -4.978 1.642 1.00 72.41 C ATOM 81 CE2 PHE A 6 -3.980 -3.255 1.153 1.00 14.44 C ATOM 82 CZ PHE A 6 -5.104 -3.689 1.828 1.00 32.01 C ATOM 0 H PHE A 6 -2.355 -8.499 -1.812 1.00 73.44 H new ATOM 0 HA PHE A 6 -1.141 -6.763 0.070 1.00 64.45 H new ATOM 0 HB2 PHE A 6 -2.494 -5.748 -1.564 1.00 31.52 H new ATOM 0 HB3 PHE A 6 -3.779 -6.926 -1.386 1.00 31.52 H new ATOM 0 HD1 PHE A 6 -5.260 -6.840 0.644 1.00 43.52 H new ATOM 0 HD2 PHE A 6 -2.439 -3.769 -0.231 1.00 14.34 H new ATOM 0 HE1 PHE A 6 -6.444 -5.318 2.167 1.00 72.41 H new ATOM 0 HE2 PHE A 6 -3.619 -2.247 1.295 1.00 14.44 H new ATOM 0 HZ PHE A 6 -5.623 -3.021 2.500 1.00 32.01 H new ATOM 92 N LYS A 7 -3.667 -8.604 1.149 1.00 14.12 N ATOM 93 CA LYS A 7 -4.320 -9.109 2.352 1.00 51.44 C ATOM 94 C LYS A 7 -3.409 -10.078 3.098 1.00 22.41 C ATOM 95 O LYS A 7 -3.458 -10.168 4.325 1.00 20.32 O ATOM 96 CB LYS A 7 -5.634 -9.803 1.989 1.00 24.31 C ATOM 97 CG LYS A 7 -5.772 -11.194 2.586 1.00 12.11 C ATOM 98 CD LYS A 7 -7.081 -11.849 2.177 1.00 42.14 C ATOM 99 CE LYS A 7 -8.214 -11.460 3.114 1.00 3.45 C ATOM 100 NZ LYS A 7 -9.193 -12.569 3.289 1.00 63.45 N ATOM 0 H LYS A 7 -4.041 -8.978 0.277 1.00 14.12 H new ATOM 0 HA LYS A 7 -4.532 -8.262 3.005 1.00 51.44 H new ATOM 0 HB2 LYS A 7 -6.467 -9.187 2.328 1.00 24.31 H new ATOM 0 HB3 LYS A 7 -5.711 -9.873 0.904 1.00 24.31 H new ATOM 0 HG2 LYS A 7 -4.937 -11.815 2.262 1.00 12.11 H new ATOM 0 HG3 LYS A 7 -5.719 -11.131 3.673 1.00 12.11 H new ATOM 0 HD2 LYS A 7 -7.333 -11.556 1.158 1.00 42.14 H new ATOM 0 HD3 LYS A 7 -6.963 -12.933 2.177 1.00 42.14 H new ATOM 0 HE2 LYS A 7 -7.803 -11.181 4.084 1.00 3.45 H new ATOM 0 HE3 LYS A 7 -8.726 -10.582 2.720 1.00 3.45 H new ATOM 0 HZ1 LYS A 7 -9.950 -12.265 3.934 1.00 63.45 H new ATOM 0 HZ2 LYS A 7 -9.604 -12.818 2.367 1.00 63.45 H new ATOM 0 HZ3 LYS A 7 -8.710 -13.399 3.688 1.00 63.45 H new ATOM 114 N GLU A 8 -2.579 -10.799 2.352 1.00 44.41 N ATOM 115 CA GLU A 8 -1.658 -11.761 2.945 1.00 44.23 C ATOM 116 C GLU A 8 -0.625 -11.056 3.820 1.00 5.22 C ATOM 117 O GLU A 8 -0.358 -11.479 4.945 1.00 23.12 O ATOM 118 CB GLU A 8 -0.952 -12.566 1.851 1.00 24.52 C ATOM 119 CG GLU A 8 0.021 -13.602 2.390 1.00 61.33 C ATOM 120 CD GLU A 8 0.959 -14.132 1.324 1.00 42.33 C ATOM 121 OE1 GLU A 8 1.948 -13.439 1.007 1.00 13.43 O ATOM 122 OE2 GLU A 8 0.702 -15.239 0.804 1.00 72.31 O ATOM 0 H GLU A 8 -2.525 -10.735 1.335 1.00 44.41 H new ATOM 0 HA GLU A 8 -2.236 -12.441 3.571 1.00 44.23 H new ATOM 0 HB2 GLU A 8 -1.702 -13.068 1.239 1.00 24.52 H new ATOM 0 HB3 GLU A 8 -0.414 -11.880 1.197 1.00 24.52 H new ATOM 0 HG2 GLU A 8 0.606 -13.160 3.196 1.00 61.33 H new ATOM 0 HG3 GLU A 8 -0.539 -14.432 2.821 1.00 61.33 H new ATOM 129 N ILE A 9 -0.048 -9.982 3.294 1.00 73.24 N ATOM 130 CA ILE A 9 0.954 -9.218 4.028 1.00 40.54 C ATOM 131 C ILE A 9 0.332 -8.488 5.212 1.00 23.21 C ATOM 132 O ILE A 9 1.010 -8.186 6.195 1.00 5.21 O ATOM 133 CB ILE A 9 1.656 -8.192 3.118 1.00 20.25 C ATOM 134 CG1 ILE A 9 2.321 -8.898 1.935 1.00 50.21 C ATOM 135 CG2 ILE A 9 2.682 -7.395 3.911 1.00 23.05 C ATOM 136 CD1 ILE A 9 2.530 -7.999 0.736 1.00 53.23 C ATOM 0 H ILE A 9 -0.256 -9.621 2.363 1.00 73.24 H new ATOM 0 HA ILE A 9 1.691 -9.933 4.393 1.00 40.54 H new ATOM 0 HB ILE A 9 0.908 -7.500 2.730 1.00 20.25 H new ATOM 0 HG12 ILE A 9 3.285 -9.295 2.254 1.00 50.21 H new ATOM 0 HG13 ILE A 9 1.708 -9.749 1.639 1.00 50.21 H new ATOM 0 HG21 ILE A 9 3.169 -6.674 3.254 1.00 23.05 H new ATOM 0 HG22 ILE A 9 2.183 -6.866 4.723 1.00 23.05 H new ATOM 0 HG23 ILE A 9 3.429 -8.073 4.324 1.00 23.05 H new ATOM 0 HD11 ILE A 9 3.006 -8.565 -0.065 1.00 53.23 H new ATOM 0 HD12 ILE A 9 1.567 -7.622 0.392 1.00 53.23 H new ATOM 0 HD13 ILE A 9 3.168 -7.161 1.016 1.00 53.23 H new ATOM 148 N ASP A 10 -0.964 -8.209 5.114 1.00 15.31 N ATOM 149 CA ASP A 10 -1.679 -7.518 6.179 1.00 31.32 C ATOM 150 C ASP A 10 -2.027 -8.477 7.313 1.00 21.20 C ATOM 151 O ASP A 10 -3.155 -8.960 7.408 1.00 3.12 O ATOM 152 CB ASP A 10 -2.953 -6.873 5.632 1.00 64.43 C ATOM 153 CG ASP A 10 -2.805 -5.378 5.427 1.00 33.41 C ATOM 154 OD1 ASP A 10 -2.077 -4.741 6.217 1.00 20.33 O ATOM 155 OD2 ASP A 10 -3.416 -4.845 4.478 1.00 0.51 O ATOM 0 H ASP A 10 -1.540 -8.451 4.308 1.00 15.31 H new ATOM 0 HA ASP A 10 -1.027 -6.739 6.574 1.00 31.32 H new ATOM 0 HB2 ASP A 10 -3.216 -7.342 4.684 1.00 64.43 H new ATOM 0 HB3 ASP A 10 -3.777 -7.062 6.320 1.00 64.43 H new ATOM 160 N VAL A 11 -1.049 -8.751 8.171 1.00 1.12 N ATOM 161 CA VAL A 11 -1.251 -9.654 9.298 1.00 72.20 C ATOM 162 C VAL A 11 -2.328 -9.125 10.239 1.00 11.32 C ATOM 163 O VAL A 11 -2.868 -9.866 11.059 1.00 13.13 O ATOM 164 CB VAL A 11 0.053 -9.860 10.092 1.00 63.51 C ATOM 165 CG1 VAL A 11 -0.122 -10.959 11.129 1.00 24.04 C ATOM 166 CG2 VAL A 11 1.204 -10.182 9.151 1.00 71.25 C ATOM 0 H VAL A 11 -0.109 -8.360 8.107 1.00 1.12 H new ATOM 0 HA VAL A 11 -1.571 -10.610 8.885 1.00 72.20 H new ATOM 0 HB VAL A 11 0.290 -8.934 10.615 1.00 63.51 H new ATOM 0 HG11 VAL A 11 0.809 -11.091 11.680 1.00 24.04 H new ATOM 0 HG12 VAL A 11 -0.918 -10.683 11.821 1.00 24.04 H new ATOM 0 HG13 VAL A 11 -0.383 -11.892 10.630 1.00 24.04 H new ATOM 0 HG21 VAL A 11 2.117 -10.324 9.729 1.00 71.25 H new ATOM 0 HG22 VAL A 11 0.978 -11.094 8.599 1.00 71.25 H new ATOM 0 HG23 VAL A 11 1.343 -9.358 8.450 1.00 71.25 H new ATOM 176 N ASN A 12 -2.636 -7.838 10.113 1.00 31.44 N ATOM 177 CA ASN A 12 -3.650 -7.209 10.953 1.00 12.54 C ATOM 178 C ASN A 12 -5.049 -7.463 10.399 1.00 35.12 C ATOM 179 O ASN A 12 -6.047 -7.063 10.997 1.00 14.13 O ATOM 180 CB ASN A 12 -3.395 -5.705 11.055 1.00 75.32 C ATOM 181 CG ASN A 12 -3.038 -5.086 9.717 1.00 60.50 C ATOM 182 OD1 ASN A 12 -3.481 -5.553 8.668 1.00 12.43 O ATOM 183 ND2 ASN A 12 -2.236 -4.028 9.749 1.00 10.11 N ATOM 0 H ASN A 12 -2.199 -7.211 9.438 1.00 31.44 H new ATOM 0 HA ASN A 12 -3.587 -7.650 11.948 1.00 12.54 H new ATOM 0 HB2 ASN A 12 -4.283 -5.215 11.453 1.00 75.32 H new ATOM 0 HB3 ASN A 12 -2.587 -5.524 11.763 1.00 75.32 H new ATOM 0 HD21 ASN A 12 -1.963 -3.568 8.880 1.00 10.11 H new ATOM 0 HD22 ASN A 12 -1.893 -3.675 10.642 1.00 10.11 H new ATOM 190 N GLY A 13 -5.113 -8.132 9.252 1.00 54.24 N ATOM 191 CA GLY A 13 -6.393 -8.428 8.636 1.00 64.03 C ATOM 192 C GLY A 13 -7.330 -7.236 8.645 1.00 74.41 C ATOM 193 O GLY A 13 -8.534 -7.386 8.855 1.00 42.42 O ATOM 0 H GLY A 13 -4.301 -8.474 8.738 1.00 54.24 H new ATOM 0 HA2 GLY A 13 -6.232 -8.752 7.608 1.00 64.03 H new ATOM 0 HA3 GLY A 13 -6.862 -9.259 9.162 1.00 64.03 H new ATOM 197 N ASP A 14 -6.778 -6.050 8.420 1.00 72.24 N ATOM 198 CA ASP A 14 -7.572 -4.826 8.404 1.00 44.12 C ATOM 199 C ASP A 14 -8.056 -4.511 6.992 1.00 13.22 C ATOM 200 O ASP A 14 -9.002 -3.749 6.805 1.00 63.04 O ATOM 201 CB ASP A 14 -6.755 -3.655 8.950 1.00 64.11 C ATOM 202 CG ASP A 14 -5.389 -3.548 8.301 1.00 44.54 C ATOM 203 OD1 ASP A 14 -5.181 -4.187 7.248 1.00 41.22 O ATOM 204 OD2 ASP A 14 -4.529 -2.825 8.844 1.00 31.41 O ATOM 0 H ASP A 14 -5.783 -5.909 8.246 1.00 72.24 H new ATOM 0 HA ASP A 14 -8.443 -4.979 9.042 1.00 44.12 H new ATOM 0 HB2 ASP A 14 -7.304 -2.727 8.789 1.00 64.11 H new ATOM 0 HB3 ASP A 14 -6.634 -3.771 10.027 1.00 64.11 H new ATOM 209 N GLY A 15 -7.396 -5.102 6.000 1.00 42.21 N ATOM 210 CA GLY A 15 -7.772 -4.871 4.617 1.00 13.03 C ATOM 211 C GLY A 15 -7.434 -3.469 4.151 1.00 75.23 C ATOM 212 O GLY A 15 -7.795 -3.071 3.045 1.00 4.22 O ATOM 0 H GLY A 15 -6.608 -5.736 6.129 1.00 42.21 H new ATOM 0 HA2 GLY A 15 -7.264 -5.595 3.980 1.00 13.03 H new ATOM 0 HA3 GLY A 15 -8.842 -5.041 4.501 1.00 13.03 H new ATOM 216 N ALA A 16 -6.740 -2.716 4.999 1.00 14.01 N ATOM 217 CA ALA A 16 -6.353 -1.350 4.668 1.00 12.33 C ATOM 218 C ALA A 16 -4.912 -1.073 5.083 1.00 71.53 C ATOM 219 O ALA A 16 -4.498 -1.412 6.191 1.00 61.21 O ATOM 220 CB ALA A 16 -7.297 -0.359 5.333 1.00 32.00 C ATOM 0 H ALA A 16 -6.434 -3.029 5.920 1.00 14.01 H new ATOM 0 HA ALA A 16 -6.421 -1.230 3.587 1.00 12.33 H new ATOM 0 HB1 ALA A 16 -6.997 0.657 5.078 1.00 32.00 H new ATOM 0 HB2 ALA A 16 -8.314 -0.535 4.984 1.00 32.00 H new ATOM 0 HB3 ALA A 16 -7.257 -0.488 6.415 1.00 32.00 H new ATOM 226 N VAL A 17 -4.153 -0.452 4.186 1.00 11.13 N ATOM 227 CA VAL A 17 -2.757 -0.128 4.458 1.00 31.23 C ATOM 228 C VAL A 17 -2.492 1.362 4.271 1.00 5.32 C ATOM 229 O VAL A 17 -2.704 1.908 3.188 1.00 21.12 O ATOM 230 CB VAL A 17 -1.806 -0.926 3.548 1.00 45.43 C ATOM 231 CG1 VAL A 17 -2.024 -2.421 3.727 1.00 53.34 C ATOM 232 CG2 VAL A 17 -1.999 -0.522 2.093 1.00 62.03 C ATOM 0 H VAL A 17 -4.481 -0.163 3.264 1.00 11.13 H new ATOM 0 HA VAL A 17 -2.566 -0.401 5.496 1.00 31.23 H new ATOM 0 HB VAL A 17 -0.779 -0.696 3.833 1.00 45.43 H new ATOM 0 HG11 VAL A 17 -1.343 -2.969 3.076 1.00 53.34 H new ATOM 0 HG12 VAL A 17 -1.833 -2.695 4.765 1.00 53.34 H new ATOM 0 HG13 VAL A 17 -3.053 -2.672 3.469 1.00 53.34 H new ATOM 0 HG21 VAL A 17 -1.319 -1.095 1.463 1.00 62.03 H new ATOM 0 HG22 VAL A 17 -3.028 -0.722 1.793 1.00 62.03 H new ATOM 0 HG23 VAL A 17 -1.789 0.541 1.980 1.00 62.03 H new ATOM 242 N SER A 18 -2.028 2.013 5.332 1.00 65.30 N ATOM 243 CA SER A 18 -1.737 3.442 5.285 1.00 23.24 C ATOM 244 C SER A 18 -0.318 3.691 4.785 1.00 13.22 C ATOM 245 O SER A 18 0.437 2.751 4.531 1.00 24.43 O ATOM 246 CB SER A 18 -1.919 4.067 6.670 1.00 4.33 C ATOM 247 OG SER A 18 -1.935 3.072 7.680 1.00 73.10 O ATOM 0 H SER A 18 -1.845 1.575 6.235 1.00 65.30 H new ATOM 0 HA SER A 18 -2.436 3.907 4.590 1.00 23.24 H new ATOM 0 HB2 SER A 18 -1.111 4.773 6.863 1.00 4.33 H new ATOM 0 HB3 SER A 18 -2.850 4.633 6.698 1.00 4.33 H new ATOM 0 HG SER A 18 -2.051 3.497 8.556 1.00 73.10 H new ATOM 253 N TYR A 19 0.039 4.963 4.646 1.00 23.53 N ATOM 254 CA TYR A 19 1.367 5.337 4.175 1.00 12.30 C ATOM 255 C TYR A 19 2.448 4.557 4.917 1.00 60.34 C ATOM 256 O TYR A 19 3.451 4.154 4.329 1.00 21.14 O ATOM 257 CB TYR A 19 1.590 6.839 4.355 1.00 52.04 C ATOM 258 CG TYR A 19 1.724 7.262 5.800 1.00 20.11 C ATOM 259 CD1 TYR A 19 0.602 7.539 6.570 1.00 34.33 C ATOM 260 CD2 TYR A 19 2.974 7.386 6.395 1.00 30.24 C ATOM 261 CE1 TYR A 19 0.720 7.926 7.891 1.00 71.53 C ATOM 262 CE2 TYR A 19 3.101 7.770 7.715 1.00 74.23 C ATOM 263 CZ TYR A 19 1.972 8.041 8.459 1.00 10.20 C ATOM 264 OH TYR A 19 2.094 8.425 9.775 1.00 45.44 O ATOM 0 H TYR A 19 -0.573 5.752 4.853 1.00 23.53 H new ATOM 0 HA TYR A 19 1.432 5.092 3.115 1.00 12.30 H new ATOM 0 HB2 TYR A 19 2.490 7.132 3.815 1.00 52.04 H new ATOM 0 HB3 TYR A 19 0.757 7.378 3.903 1.00 52.04 H new ATOM 0 HD1 TYR A 19 -0.380 7.450 6.129 1.00 34.33 H new ATOM 0 HD2 TYR A 19 3.861 7.178 5.815 1.00 30.24 H new ATOM 0 HE1 TYR A 19 -0.163 8.137 8.476 1.00 71.53 H new ATOM 0 HE2 TYR A 19 4.080 7.858 8.163 1.00 74.23 H new ATOM 0 HH TYR A 19 3.042 8.456 10.020 1.00 45.44 H new ATOM 274 N GLU A 20 2.235 4.350 6.213 1.00 41.53 N ATOM 275 CA GLU A 20 3.192 3.620 7.036 1.00 71.02 C ATOM 276 C GLU A 20 3.180 2.132 6.693 1.00 75.33 C ATOM 277 O GLU A 20 4.230 1.493 6.626 1.00 62.13 O ATOM 278 CB GLU A 20 2.875 3.816 8.520 1.00 24.13 C ATOM 279 CG GLU A 20 3.901 4.660 9.256 1.00 22.11 C ATOM 280 CD GLU A 20 4.658 3.873 10.308 1.00 42.32 C ATOM 281 OE1 GLU A 20 5.488 3.021 9.929 1.00 32.23 O ATOM 282 OE2 GLU A 20 4.421 4.111 11.511 1.00 5.01 O ATOM 0 H GLU A 20 1.409 4.677 6.715 1.00 41.53 H new ATOM 0 HA GLU A 20 4.187 4.015 6.830 1.00 71.02 H new ATOM 0 HB2 GLU A 20 1.896 4.285 8.615 1.00 24.13 H new ATOM 0 HB3 GLU A 20 2.808 2.840 9.000 1.00 24.13 H new ATOM 0 HG2 GLU A 20 4.609 5.073 8.537 1.00 22.11 H new ATOM 0 HG3 GLU A 20 3.399 5.504 9.730 1.00 22.11 H new ATOM 289 N GLU A 21 1.986 1.590 6.480 1.00 45.42 N ATOM 290 CA GLU A 21 1.837 0.179 6.146 1.00 14.45 C ATOM 291 C GLU A 21 2.528 -0.143 4.824 1.00 15.52 C ATOM 292 O GLU A 21 3.318 -1.084 4.735 1.00 22.32 O ATOM 293 CB GLU A 21 0.357 -0.197 6.065 1.00 50.22 C ATOM 294 CG GLU A 21 -0.333 -0.246 7.417 1.00 63.40 C ATOM 295 CD GLU A 21 -1.348 -1.370 7.514 1.00 15.10 C ATOM 296 OE1 GLU A 21 -0.968 -2.533 7.261 1.00 42.33 O ATOM 297 OE2 GLU A 21 -2.518 -1.087 7.842 1.00 30.12 O ATOM 0 H GLU A 21 1.108 2.106 6.533 1.00 45.42 H new ATOM 0 HA GLU A 21 2.309 -0.406 6.935 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -0.158 0.524 5.430 1.00 50.22 H new ATOM 0 HB3 GLU A 21 0.264 -1.170 5.583 1.00 50.22 H new ATOM 0 HG2 GLU A 21 0.416 -0.370 8.199 1.00 63.40 H new ATOM 0 HG3 GLU A 21 -0.832 0.706 7.601 1.00 63.40 H new ATOM 304 N VAL A 22 2.226 0.645 3.797 1.00 23.25 N ATOM 305 CA VAL A 22 2.817 0.445 2.479 1.00 62.10 C ATOM 306 C VAL A 22 4.336 0.543 2.538 1.00 14.22 C ATOM 307 O VAL A 22 5.045 -0.249 1.917 1.00 73.11 O ATOM 308 CB VAL A 22 2.286 1.475 1.465 1.00 41.23 C ATOM 309 CG1 VAL A 22 2.485 2.890 1.987 1.00 44.22 C ATOM 310 CG2 VAL A 22 2.969 1.295 0.117 1.00 4.31 C ATOM 0 H VAL A 22 1.575 1.428 3.852 1.00 23.25 H new ATOM 0 HA VAL A 22 2.533 -0.555 2.153 1.00 62.10 H new ATOM 0 HB VAL A 22 1.217 1.310 1.331 1.00 41.23 H new ATOM 0 HG11 VAL A 22 2.104 3.604 1.257 1.00 44.22 H new ATOM 0 HG12 VAL A 22 1.947 3.010 2.927 1.00 44.22 H new ATOM 0 HG13 VAL A 22 3.547 3.071 2.151 1.00 44.22 H new ATOM 0 HG21 VAL A 22 2.582 2.031 -0.588 1.00 4.31 H new ATOM 0 HG22 VAL A 22 4.044 1.433 0.232 1.00 4.31 H new ATOM 0 HG23 VAL A 22 2.771 0.292 -0.260 1.00 4.31 H new ATOM 320 N LYS A 23 4.832 1.519 3.291 1.00 54.23 N ATOM 321 CA LYS A 23 6.270 1.721 3.434 1.00 22.25 C ATOM 322 C LYS A 23 6.932 0.492 4.048 1.00 34.22 C ATOM 323 O LYS A 23 7.968 0.030 3.571 1.00 40.22 O ATOM 324 CB LYS A 23 6.549 2.950 4.301 1.00 71.32 C ATOM 325 CG LYS A 23 7.751 3.757 3.842 1.00 52.35 C ATOM 326 CD LYS A 23 9.056 3.094 4.248 1.00 60.25 C ATOM 327 CE LYS A 23 9.346 3.293 5.727 1.00 63.41 C ATOM 328 NZ LYS A 23 10.177 4.505 5.973 1.00 2.33 N ATOM 0 H LYS A 23 4.259 2.183 3.812 1.00 54.23 H new ATOM 0 HA LYS A 23 6.690 1.882 2.441 1.00 22.25 H new ATOM 0 HB2 LYS A 23 5.669 3.593 4.300 1.00 71.32 H new ATOM 0 HB3 LYS A 23 6.709 2.630 5.331 1.00 71.32 H new ATOM 0 HG2 LYS A 23 7.722 3.871 2.758 1.00 52.35 H new ATOM 0 HG3 LYS A 23 7.702 4.759 4.269 1.00 52.35 H new ATOM 0 HD2 LYS A 23 9.008 2.028 4.026 1.00 60.25 H new ATOM 0 HD3 LYS A 23 9.874 3.506 3.657 1.00 60.25 H new ATOM 0 HE2 LYS A 23 8.406 3.380 6.272 1.00 63.41 H new ATOM 0 HE3 LYS A 23 9.861 2.415 6.117 1.00 63.41 H new ATOM 0 HZ1 LYS A 23 10.352 4.605 6.993 1.00 2.33 H new ATOM 0 HZ2 LYS A 23 11.084 4.411 5.474 1.00 2.33 H new ATOM 0 HZ3 LYS A 23 9.675 5.347 5.624 1.00 2.33 H new ATOM 342 N ALA A 24 6.329 -0.033 5.109 1.00 4.24 N ATOM 343 CA ALA A 24 6.859 -1.210 5.785 1.00 20.31 C ATOM 344 C ALA A 24 6.811 -2.434 4.877 1.00 52.31 C ATOM 345 O ALA A 24 7.734 -3.250 4.869 1.00 45.53 O ATOM 346 CB ALA A 24 6.086 -1.475 7.070 1.00 41.22 C ATOM 0 H ALA A 24 5.472 0.339 5.519 1.00 4.24 H new ATOM 0 HA ALA A 24 7.902 -1.015 6.034 1.00 20.31 H new ATOM 0 HB1 ALA A 24 6.493 -2.357 7.564 1.00 41.22 H new ATOM 0 HB2 ALA A 24 6.176 -0.614 7.733 1.00 41.22 H new ATOM 0 HB3 ALA A 24 5.035 -1.644 6.834 1.00 41.22 H new ATOM 352 N PHE A 25 5.732 -2.556 4.112 1.00 40.03 N ATOM 353 CA PHE A 25 5.564 -3.682 3.200 1.00 74.00 C ATOM 354 C PHE A 25 6.795 -3.852 2.314 1.00 43.12 C ATOM 355 O PHE A 25 7.353 -4.944 2.211 1.00 43.34 O ATOM 356 CB PHE A 25 4.320 -3.481 2.332 1.00 31.01 C ATOM 357 CG PHE A 25 3.053 -3.963 2.980 1.00 13.03 C ATOM 358 CD1 PHE A 25 2.897 -3.903 4.356 1.00 51.42 C ATOM 359 CD2 PHE A 25 2.019 -4.475 2.214 1.00 11.44 C ATOM 360 CE1 PHE A 25 1.733 -4.346 4.954 1.00 2.44 C ATOM 361 CE2 PHE A 25 0.852 -4.920 2.807 1.00 2.14 C ATOM 362 CZ PHE A 25 0.709 -4.855 4.179 1.00 41.03 C ATOM 0 H PHE A 25 4.960 -1.889 4.105 1.00 40.03 H new ATOM 0 HA PHE A 25 5.440 -4.586 3.796 1.00 74.00 H new ATOM 0 HB2 PHE A 25 4.218 -2.422 2.097 1.00 31.01 H new ATOM 0 HB3 PHE A 25 4.458 -4.006 1.387 1.00 31.01 H new ATOM 0 HD1 PHE A 25 3.694 -3.506 4.967 1.00 51.42 H new ATOM 0 HD2 PHE A 25 2.126 -4.527 1.141 1.00 11.44 H new ATOM 0 HE1 PHE A 25 1.624 -4.294 6.027 1.00 2.44 H new ATOM 0 HE2 PHE A 25 0.054 -5.318 2.198 1.00 2.14 H new ATOM 0 HZ PHE A 25 -0.202 -5.201 4.645 1.00 41.03 H new ATOM 372 N VAL A 26 7.211 -2.763 1.675 1.00 65.20 N ATOM 373 CA VAL A 26 8.375 -2.789 0.798 1.00 51.41 C ATOM 374 C VAL A 26 9.662 -2.959 1.597 1.00 11.43 C ATOM 375 O VAL A 26 10.639 -3.523 1.105 1.00 75.02 O ATOM 376 CB VAL A 26 8.472 -1.503 -0.045 1.00 33.10 C ATOM 377 CG1 VAL A 26 9.392 -0.494 0.626 1.00 24.00 C ATOM 378 CG2 VAL A 26 8.954 -1.824 -1.452 1.00 70.15 C ATOM 0 H VAL A 26 6.759 -1.852 1.749 1.00 65.20 H new ATOM 0 HA VAL A 26 8.250 -3.642 0.132 1.00 51.41 H new ATOM 0 HB VAL A 26 7.479 -1.060 -0.118 1.00 33.10 H new ATOM 0 HG11 VAL A 26 9.449 0.408 0.017 1.00 24.00 H new ATOM 0 HG12 VAL A 26 8.999 -0.242 1.611 1.00 24.00 H new ATOM 0 HG13 VAL A 26 10.388 -0.924 0.731 1.00 24.00 H new ATOM 0 HG21 VAL A 26 9.017 -0.904 -2.034 1.00 70.15 H new ATOM 0 HG22 VAL A 26 9.938 -2.290 -1.402 1.00 70.15 H new ATOM 0 HG23 VAL A 26 8.253 -2.508 -1.930 1.00 70.15 H new ATOM 388 N SER A 27 9.654 -2.468 2.831 1.00 34.20 N ATOM 389 CA SER A 27 10.823 -2.562 3.699 1.00 22.42 C ATOM 390 C SER A 27 11.195 -4.020 3.952 1.00 3.33 C ATOM 391 O SER A 27 12.339 -4.333 4.286 1.00 64.34 O ATOM 392 CB SER A 27 10.555 -1.855 5.029 1.00 44.34 C ATOM 393 OG SER A 27 11.470 -0.793 5.235 1.00 51.44 O ATOM 0 H SER A 27 8.852 -2.001 3.253 1.00 34.20 H new ATOM 0 HA SER A 27 11.658 -2.073 3.197 1.00 22.42 H new ATOM 0 HB2 SER A 27 9.536 -1.469 5.040 1.00 44.34 H new ATOM 0 HB3 SER A 27 10.633 -2.571 5.847 1.00 44.34 H new ATOM 0 HG SER A 27 11.277 -0.356 6.091 1.00 51.44 H new ATOM 399 N LYS A 28 10.222 -4.910 3.789 1.00 44.01 N ATOM 400 CA LYS A 28 10.445 -6.335 3.998 1.00 4.54 C ATOM 401 C LYS A 28 11.297 -6.923 2.876 1.00 44.22 C ATOM 402 O LYS A 28 11.733 -8.072 2.950 1.00 65.20 O ATOM 403 CB LYS A 28 9.108 -7.076 4.078 1.00 53.32 C ATOM 404 CG LYS A 28 8.635 -7.324 5.500 1.00 63.30 C ATOM 405 CD LYS A 28 8.628 -6.042 6.316 1.00 22.35 C ATOM 406 CE LYS A 28 9.824 -5.972 7.253 1.00 22.42 C ATOM 407 NZ LYS A 28 9.420 -6.116 8.680 1.00 20.20 N ATOM 0 H LYS A 28 9.270 -4.669 3.512 1.00 44.01 H new ATOM 0 HA LYS A 28 10.979 -6.459 4.940 1.00 4.54 H new ATOM 0 HB2 LYS A 28 8.350 -6.500 3.547 1.00 53.32 H new ATOM 0 HB3 LYS A 28 9.200 -8.032 3.563 1.00 53.32 H new ATOM 0 HG2 LYS A 28 7.632 -7.750 5.482 1.00 63.30 H new ATOM 0 HG3 LYS A 28 9.285 -8.057 5.978 1.00 63.30 H new ATOM 0 HD2 LYS A 28 8.639 -5.183 5.646 1.00 22.35 H new ATOM 0 HD3 LYS A 28 7.707 -5.983 6.895 1.00 22.35 H new ATOM 0 HE2 LYS A 28 10.534 -6.758 6.995 1.00 22.42 H new ATOM 0 HE3 LYS A 28 10.338 -5.021 7.115 1.00 22.42 H new ATOM 0 HZ1 LYS A 28 10.263 -6.063 9.287 1.00 20.20 H new ATOM 0 HZ2 LYS A 28 8.762 -5.351 8.933 1.00 20.20 H new ATOM 0 HZ3 LYS A 28 8.952 -7.035 8.817 1.00 20.20 H new ATOM 421 N LYS A 29 11.531 -6.126 1.839 1.00 11.12 N ATOM 422 CA LYS A 29 12.332 -6.565 0.702 1.00 71.21 C ATOM 423 C LYS A 29 13.720 -5.932 0.739 1.00 60.12 C ATOM 424 O LYS A 29 14.672 -6.467 0.169 1.00 62.51 O ATOM 425 CB LYS A 29 11.631 -6.208 -0.611 1.00 32.23 C ATOM 426 CG LYS A 29 10.134 -6.462 -0.590 1.00 31.54 C ATOM 427 CD LYS A 29 9.816 -7.890 -0.179 1.00 51.00 C ATOM 428 CE LYS A 29 10.418 -8.895 -1.149 1.00 20.22 C ATOM 429 NZ LYS A 29 9.799 -10.243 -1.005 1.00 51.52 N ATOM 0 H LYS A 29 11.177 -5.172 1.762 1.00 11.12 H new ATOM 0 HA LYS A 29 12.443 -7.648 0.764 1.00 71.21 H new ATOM 0 HB2 LYS A 29 11.809 -5.156 -0.834 1.00 32.23 H new ATOM 0 HB3 LYS A 29 12.078 -6.786 -1.420 1.00 32.23 H new ATOM 0 HG2 LYS A 29 9.656 -5.768 0.102 1.00 31.54 H new ATOM 0 HG3 LYS A 29 9.717 -6.265 -1.578 1.00 31.54 H new ATOM 0 HD2 LYS A 29 10.200 -8.075 0.824 1.00 51.00 H new ATOM 0 HD3 LYS A 29 8.735 -8.026 -0.137 1.00 51.00 H new ATOM 0 HE2 LYS A 29 10.282 -8.540 -2.171 1.00 20.22 H new ATOM 0 HE3 LYS A 29 11.492 -8.968 -0.977 1.00 20.22 H new ATOM 0 HZ1 LYS A 29 10.236 -10.900 -1.683 1.00 51.52 H new ATOM 0 HZ2 LYS A 29 9.950 -10.593 -0.037 1.00 51.52 H new ATOM 0 HZ3 LYS A 29 8.778 -10.178 -1.194 1.00 51.52 H new ATOM 443 N ARG A 30 13.828 -4.791 1.412 1.00 33.45 N ATOM 444 CA ARG A 30 15.099 -4.087 1.523 1.00 11.43 C ATOM 445 C ARG A 30 14.957 -2.841 2.393 1.00 24.12 C ATOM 446 O ARG A 30 13.902 -2.600 2.980 1.00 41.11 O ATOM 447 CB ARG A 30 15.613 -3.697 0.135 1.00 20.33 C ATOM 448 CG ARG A 30 14.593 -2.940 -0.700 1.00 51.03 C ATOM 449 CD ARG A 30 14.494 -3.508 -2.107 1.00 54.32 C ATOM 450 NE ARG A 30 15.809 -3.720 -2.706 1.00 30.35 N ATOM 451 CZ ARG A 30 16.013 -4.464 -3.788 1.00 44.35 C ATOM 452 NH1 ARG A 30 14.992 -5.061 -4.387 1.00 12.34 N ATOM 453 NH2 ARG A 30 17.239 -4.609 -4.274 1.00 73.12 N ATOM 0 H ARG A 30 13.050 -4.335 1.889 1.00 33.45 H new ATOM 0 HA ARG A 30 15.817 -4.758 1.994 1.00 11.43 H new ATOM 0 HB2 ARG A 30 16.507 -3.083 0.247 1.00 20.33 H new ATOM 0 HB3 ARG A 30 15.911 -4.599 -0.400 1.00 20.33 H new ATOM 0 HG2 ARG A 30 13.617 -2.989 -0.217 1.00 51.03 H new ATOM 0 HG3 ARG A 30 14.871 -1.887 -0.750 1.00 51.03 H new ATOM 0 HD2 ARG A 30 13.952 -4.453 -2.079 1.00 54.32 H new ATOM 0 HD3 ARG A 30 13.916 -2.828 -2.733 1.00 54.32 H new ATOM 0 HE ARG A 30 16.615 -3.272 -2.270 1.00 30.35 H new ATOM 0 HH11 ARG A 30 14.048 -4.950 -4.017 1.00 12.34 H new ATOM 0 HH12 ARG A 30 15.151 -5.632 -5.217 1.00 12.34 H new ATOM 0 HH21 ARG A 30 18.026 -4.149 -3.817 1.00 73.12 H new ATOM 0 HH22 ARG A 30 17.394 -5.180 -5.105 1.00 73.12 H new ATOM 467 N ALA A 31 16.025 -2.055 2.471 1.00 34.12 N ATOM 468 CA ALA A 31 16.019 -0.835 3.267 1.00 64.22 C ATOM 469 C ALA A 31 16.165 0.398 2.383 1.00 72.34 C ATOM 470 O ALA A 31 17.278 0.804 2.047 1.00 54.10 O ATOM 471 CB ALA A 31 17.129 -0.877 4.307 1.00 40.34 C ATOM 0 H ALA A 31 16.906 -2.242 1.992 1.00 34.12 H new ATOM 0 HA ALA A 31 15.059 -0.770 3.780 1.00 64.22 H new ATOM 0 HB1 ALA A 31 17.112 0.041 4.894 1.00 40.34 H new ATOM 0 HB2 ALA A 31 16.978 -1.732 4.966 1.00 40.34 H new ATOM 0 HB3 ALA A 31 18.093 -0.970 3.807 1.00 40.34 H new ATOM 477 N ILE A 32 15.036 0.991 2.008 1.00 33.24 N ATOM 478 CA ILE A 32 15.040 2.178 1.164 1.00 51.50 C ATOM 479 C ILE A 32 14.097 3.245 1.710 1.00 14.33 C ATOM 480 O ILE A 32 12.881 3.155 1.549 1.00 31.32 O ATOM 481 CB ILE A 32 14.633 1.841 -0.283 1.00 31.22 C ATOM 482 CG1 ILE A 32 14.451 3.124 -1.097 1.00 43.02 C ATOM 483 CG2 ILE A 32 13.355 1.014 -0.295 1.00 75.11 C ATOM 484 CD1 ILE A 32 15.675 4.011 -1.108 1.00 13.41 C ATOM 0 H ILE A 32 14.107 0.668 2.276 1.00 33.24 H new ATOM 0 HA ILE A 32 16.060 2.563 1.166 1.00 51.50 H new ATOM 0 HB ILE A 32 15.428 1.252 -0.741 1.00 31.22 H new ATOM 0 HG12 ILE A 32 14.194 2.860 -2.123 1.00 43.02 H new ATOM 0 HG13 ILE A 32 13.609 3.685 -0.692 1.00 43.02 H new ATOM 0 HG21 ILE A 32 13.080 0.784 -1.324 1.00 75.11 H new ATOM 0 HG22 ILE A 32 13.517 0.086 0.254 1.00 75.11 H new ATOM 0 HG23 ILE A 32 12.551 1.579 0.177 1.00 75.11 H new ATOM 0 HD11 ILE A 32 15.474 4.901 -1.704 1.00 13.41 H new ATOM 0 HD12 ILE A 32 15.921 4.305 -0.087 1.00 13.41 H new ATOM 0 HD13 ILE A 32 16.515 3.467 -1.541 1.00 13.41 H new ATOM 496 N LYS A 33 14.669 4.257 2.354 1.00 22.43 N ATOM 497 CA LYS A 33 13.882 5.345 2.923 1.00 1.02 C ATOM 498 C LYS A 33 13.489 6.352 1.847 1.00 2.30 C ATOM 499 O LYS A 33 14.315 7.142 1.393 1.00 75.03 O ATOM 500 CB LYS A 33 14.669 6.047 4.031 1.00 4.22 C ATOM 501 CG LYS A 33 16.057 6.493 3.603 1.00 42.13 C ATOM 502 CD LYS A 33 16.285 7.966 3.898 1.00 0.35 C ATOM 503 CE LYS A 33 17.672 8.210 4.471 1.00 54.51 C ATOM 504 NZ LYS A 33 17.933 9.660 4.693 1.00 51.31 N ATOM 0 H LYS A 33 15.675 4.346 2.495 1.00 22.43 H new ATOM 0 HA LYS A 33 12.973 4.919 3.347 1.00 1.02 H new ATOM 0 HB2 LYS A 33 14.106 6.916 4.370 1.00 4.22 H new ATOM 0 HB3 LYS A 33 14.760 5.374 4.883 1.00 4.22 H new ATOM 0 HG2 LYS A 33 16.808 5.897 4.122 1.00 42.13 H new ATOM 0 HG3 LYS A 33 16.186 6.310 2.536 1.00 42.13 H new ATOM 0 HD2 LYS A 33 16.161 8.545 2.983 1.00 0.35 H new ATOM 0 HD3 LYS A 33 15.532 8.318 4.603 1.00 0.35 H new ATOM 0 HE2 LYS A 33 17.775 7.674 5.414 1.00 54.51 H new ATOM 0 HE3 LYS A 33 18.422 7.806 3.791 1.00 54.51 H new ATOM 0 HZ1 LYS A 33 18.888 9.785 5.084 1.00 51.31 H new ATOM 0 HZ2 LYS A 33 17.860 10.168 3.789 1.00 51.31 H new ATOM 0 HZ3 LYS A 33 17.233 10.040 5.361 1.00 51.31 H new ATOM 518 N ASN A 34 12.223 6.317 1.444 1.00 40.15 N ATOM 519 CA ASN A 34 11.721 7.229 0.421 1.00 22.52 C ATOM 520 C ASN A 34 10.533 8.031 0.944 1.00 50.34 C ATOM 521 O ASN A 34 9.409 7.534 0.990 1.00 30.32 O ATOM 522 CB ASN A 34 11.313 6.450 -0.831 1.00 33.24 C ATOM 523 CG ASN A 34 12.492 5.759 -1.490 1.00 44.44 C ATOM 524 OD1 ASN A 34 13.647 6.107 -1.245 1.00 73.44 O ATOM 525 ND2 ASN A 34 12.203 4.776 -2.335 1.00 12.24 N ATOM 0 H ASN A 34 11.526 5.668 1.809 1.00 40.15 H new ATOM 0 HA ASN A 34 12.521 7.923 0.164 1.00 22.52 H new ATOM 0 HB2 ASN A 34 10.562 5.707 -0.565 1.00 33.24 H new ATOM 0 HB3 ASN A 34 10.849 7.131 -1.544 1.00 33.24 H new ATOM 0 HD21 ASN A 34 12.954 4.276 -2.811 1.00 12.24 H new ATOM 0 HD22 ASN A 34 11.231 4.521 -2.508 1.00 12.24 H new ATOM 532 N GLU A 35 10.792 9.275 1.335 1.00 34.14 N ATOM 533 CA GLU A 35 9.744 10.145 1.855 1.00 51.43 C ATOM 534 C GLU A 35 8.849 10.652 0.727 1.00 11.04 C ATOM 535 O GLU A 35 7.627 10.692 0.863 1.00 45.11 O ATOM 536 CB GLU A 35 10.358 11.331 2.603 1.00 1.04 C ATOM 537 CG GLU A 35 10.207 11.241 4.113 1.00 50.24 C ATOM 538 CD GLU A 35 9.509 12.452 4.702 1.00 3.31 C ATOM 539 OE1 GLU A 35 8.423 12.812 4.200 1.00 13.01 O ATOM 540 OE2 GLU A 35 10.048 13.039 5.662 1.00 23.21 O ATOM 0 H GLU A 35 11.718 9.702 1.302 1.00 34.14 H new ATOM 0 HA GLU A 35 9.135 9.563 2.547 1.00 51.43 H new ATOM 0 HB2 GLU A 35 11.417 11.397 2.355 1.00 1.04 H new ATOM 0 HB3 GLU A 35 9.891 12.252 2.254 1.00 1.04 H new ATOM 0 HG2 GLU A 35 9.643 10.343 4.365 1.00 50.24 H new ATOM 0 HG3 GLU A 35 11.192 11.137 4.568 1.00 50.24 H new ATOM 547 N GLN A 36 9.468 11.035 -0.385 1.00 64.43 N ATOM 548 CA GLN A 36 8.727 11.540 -1.535 1.00 4.45 C ATOM 549 C GLN A 36 8.023 10.403 -2.270 1.00 71.53 C ATOM 550 O GLN A 36 6.822 10.471 -2.535 1.00 40.23 O ATOM 551 CB GLN A 36 9.668 12.275 -2.491 1.00 43.05 C ATOM 552 CG GLN A 36 9.053 12.555 -3.853 1.00 53.50 C ATOM 553 CD GLN A 36 9.281 13.982 -4.313 1.00 63.13 C ATOM 554 OE1 GLN A 36 8.348 14.666 -4.735 1.00 52.44 O ATOM 555 NE2 GLN A 36 10.525 14.439 -4.233 1.00 40.50 N ATOM 0 H GLN A 36 10.479 11.005 -0.514 1.00 64.43 H new ATOM 0 HA GLN A 36 7.972 12.237 -1.172 1.00 4.45 H new ATOM 0 HB2 GLN A 36 9.970 13.219 -2.037 1.00 43.05 H new ATOM 0 HB3 GLN A 36 10.573 11.682 -2.625 1.00 43.05 H new ATOM 0 HG2 GLN A 36 9.476 11.869 -4.587 1.00 53.50 H new ATOM 0 HG3 GLN A 36 7.982 12.357 -3.812 1.00 53.50 H new ATOM 0 HE21 GLN A 36 11.268 13.837 -3.877 1.00 40.50 H new ATOM 0 HE22 GLN A 36 10.738 15.392 -4.528 1.00 40.50 H new ATOM 564 N LEU A 37 8.777 9.359 -2.597 1.00 74.32 N ATOM 565 CA LEU A 37 8.225 8.207 -3.302 1.00 75.44 C ATOM 566 C LEU A 37 7.045 7.617 -2.538 1.00 65.10 C ATOM 567 O LEU A 37 6.001 7.317 -3.121 1.00 53.21 O ATOM 568 CB LEU A 37 9.305 7.141 -3.500 1.00 63.33 C ATOM 569 CG LEU A 37 9.185 6.293 -4.766 1.00 4.12 C ATOM 570 CD1 LEU A 37 9.511 7.124 -5.998 1.00 2.34 C ATOM 571 CD2 LEU A 37 10.097 5.078 -4.682 1.00 42.32 C ATOM 0 H LEU A 37 9.772 9.286 -2.385 1.00 74.32 H new ATOM 0 HA LEU A 37 7.871 8.542 -4.277 1.00 75.44 H new ATOM 0 HB2 LEU A 37 10.277 7.634 -3.508 1.00 63.33 H new ATOM 0 HB3 LEU A 37 9.292 6.475 -2.638 1.00 63.33 H new ATOM 0 HG LEU A 37 8.156 5.944 -4.851 1.00 4.12 H new ATOM 0 HD11 LEU A 37 9.420 6.504 -6.890 1.00 2.34 H new ATOM 0 HD12 LEU A 37 8.817 7.961 -6.066 1.00 2.34 H new ATOM 0 HD13 LEU A 37 10.530 7.503 -5.922 1.00 2.34 H new ATOM 0 HD21 LEU A 37 9.999 4.486 -5.592 1.00 42.32 H new ATOM 0 HD22 LEU A 37 11.131 5.406 -4.572 1.00 42.32 H new ATOM 0 HD23 LEU A 37 9.816 4.471 -3.822 1.00 42.32 H new ATOM 583 N LEU A 38 7.215 7.452 -1.231 1.00 70.25 N ATOM 584 CA LEU A 38 6.162 6.900 -0.386 1.00 22.53 C ATOM 585 C LEU A 38 4.929 7.797 -0.393 1.00 51.14 C ATOM 586 O LEU A 38 3.802 7.319 -0.509 1.00 25.11 O ATOM 587 CB LEU A 38 6.671 6.723 1.047 1.00 43.31 C ATOM 588 CG LEU A 38 5.809 5.853 1.962 1.00 2.24 C ATOM 589 CD1 LEU A 38 4.508 6.563 2.302 1.00 25.34 C ATOM 590 CD2 LEU A 38 5.529 4.506 1.310 1.00 73.54 C ATOM 0 H LEU A 38 8.072 7.693 -0.733 1.00 70.25 H new ATOM 0 HA LEU A 38 5.881 5.927 -0.789 1.00 22.53 H new ATOM 0 HB2 LEU A 38 7.671 6.292 1.005 1.00 43.31 H new ATOM 0 HB3 LEU A 38 6.768 7.709 1.502 1.00 43.31 H new ATOM 0 HG LEU A 38 6.357 5.679 2.888 1.00 2.24 H new ATOM 0 HD11 LEU A 38 3.907 5.929 2.954 1.00 25.34 H new ATOM 0 HD12 LEU A 38 4.728 7.502 2.811 1.00 25.34 H new ATOM 0 HD13 LEU A 38 3.955 6.768 1.385 1.00 25.34 H new ATOM 0 HD21 LEU A 38 4.914 3.900 1.976 1.00 73.54 H new ATOM 0 HD22 LEU A 38 5.001 4.660 0.369 1.00 73.54 H new ATOM 0 HD23 LEU A 38 6.471 3.992 1.118 1.00 73.54 H new ATOM 602 N GLN A 39 5.153 9.102 -0.269 1.00 53.24 N ATOM 603 CA GLN A 39 4.061 10.067 -0.263 1.00 42.53 C ATOM 604 C GLN A 39 3.304 10.041 -1.587 1.00 5.33 C ATOM 605 O GLN A 39 2.081 9.896 -1.613 1.00 0.14 O ATOM 606 CB GLN A 39 4.596 11.475 0.003 1.00 72.01 C ATOM 607 CG GLN A 39 4.436 11.924 1.447 1.00 30.14 C ATOM 608 CD GLN A 39 2.997 11.859 1.921 1.00 73.44 C ATOM 609 OE1 GLN A 39 2.066 12.079 1.147 1.00 71.33 O ATOM 610 NE2 GLN A 39 2.809 11.556 3.200 1.00 72.22 N ATOM 0 H GLN A 39 6.081 9.514 -0.171 1.00 53.24 H new ATOM 0 HA GLN A 39 3.372 9.791 0.535 1.00 42.53 H new ATOM 0 HB2 GLN A 39 5.652 11.510 -0.265 1.00 72.01 H new ATOM 0 HB3 GLN A 39 4.079 12.180 -0.648 1.00 72.01 H new ATOM 0 HG2 GLN A 39 5.055 11.298 2.089 1.00 30.14 H new ATOM 0 HG3 GLN A 39 4.803 12.945 1.549 1.00 30.14 H new ATOM 0 HE21 GLN A 39 3.611 11.381 3.806 1.00 72.22 H new ATOM 0 HE22 GLN A 39 1.863 11.498 3.577 1.00 72.22 H new ATOM 619 N LEU A 40 4.037 10.183 -2.686 1.00 35.13 N ATOM 620 CA LEU A 40 3.436 10.175 -4.015 1.00 61.41 C ATOM 621 C LEU A 40 2.780 8.830 -4.308 1.00 23.33 C ATOM 622 O LEU A 40 1.613 8.769 -4.699 1.00 14.31 O ATOM 623 CB LEU A 40 4.493 10.483 -5.077 1.00 24.23 C ATOM 624 CG LEU A 40 4.056 11.412 -6.209 1.00 3.52 C ATOM 625 CD1 LEU A 40 5.165 11.556 -7.239 1.00 54.24 C ATOM 626 CD2 LEU A 40 2.783 10.894 -6.863 1.00 10.52 C ATOM 0 H LEU A 40 5.050 10.305 -2.683 1.00 35.13 H new ATOM 0 HA LEU A 40 2.667 10.947 -4.043 1.00 61.41 H new ATOM 0 HB2 LEU A 40 5.357 10.927 -4.583 1.00 24.23 H new ATOM 0 HB3 LEU A 40 4.825 9.541 -5.514 1.00 24.23 H new ATOM 0 HG LEU A 40 3.850 12.396 -5.787 1.00 3.52 H new ATOM 0 HD11 LEU A 40 4.836 12.221 -8.037 1.00 54.24 H new ATOM 0 HD12 LEU A 40 6.052 11.973 -6.762 1.00 54.24 H new ATOM 0 HD13 LEU A 40 5.403 10.578 -7.657 1.00 54.24 H new ATOM 0 HD21 LEU A 40 2.487 11.568 -7.667 1.00 10.52 H new ATOM 0 HD22 LEU A 40 2.962 9.899 -7.271 1.00 10.52 H new ATOM 0 HD23 LEU A 40 1.987 10.843 -6.120 1.00 10.52 H new ATOM 638 N ILE A 41 3.535 7.754 -4.114 1.00 65.42 N ATOM 639 CA ILE A 41 3.026 6.410 -4.355 1.00 22.40 C ATOM 640 C ILE A 41 1.814 6.116 -3.476 1.00 0.34 C ATOM 641 O ILE A 41 0.909 5.383 -3.874 1.00 25.33 O ATOM 642 CB ILE A 41 4.105 5.344 -4.094 1.00 2.32 C ATOM 643 CG1 ILE A 41 5.204 5.428 -5.156 1.00 64.13 C ATOM 644 CG2 ILE A 41 3.485 3.955 -4.075 1.00 23.14 C ATOM 645 CD1 ILE A 41 4.726 5.077 -6.548 1.00 3.11 C ATOM 0 H ILE A 41 4.502 7.787 -3.790 1.00 65.42 H new ATOM 0 HA ILE A 41 2.731 6.367 -5.404 1.00 22.40 H new ATOM 0 HB ILE A 41 4.553 5.534 -3.119 1.00 2.32 H new ATOM 0 HG12 ILE A 41 5.613 6.438 -5.165 1.00 64.13 H new ATOM 0 HG13 ILE A 41 6.017 4.757 -4.880 1.00 64.13 H new ATOM 0 HG21 ILE A 41 4.261 3.213 -3.889 1.00 23.14 H new ATOM 0 HG22 ILE A 41 2.736 3.902 -3.285 1.00 23.14 H new ATOM 0 HG23 ILE A 41 3.013 3.754 -5.037 1.00 23.14 H new ATOM 0 HD11 ILE A 41 5.557 5.158 -7.249 1.00 3.11 H new ATOM 0 HD12 ILE A 41 4.343 4.056 -6.555 1.00 3.11 H new ATOM 0 HD13 ILE A 41 3.933 5.764 -6.844 1.00 3.11 H new ATOM 657 N PHE A 42 1.803 6.695 -2.280 1.00 14.04 N ATOM 658 CA PHE A 42 0.702 6.496 -1.344 1.00 33.13 C ATOM 659 C PHE A 42 -0.607 7.021 -1.925 1.00 34.13 C ATOM 660 O PHE A 42 -1.605 6.303 -1.986 1.00 4.32 O ATOM 661 CB PHE A 42 1.001 7.194 -0.016 1.00 72.41 C ATOM 662 CG PHE A 42 -0.189 7.283 0.895 1.00 64.32 C ATOM 663 CD1 PHE A 42 -0.987 6.174 1.125 1.00 71.40 C ATOM 664 CD2 PHE A 42 -0.511 8.476 1.522 1.00 30.51 C ATOM 665 CE1 PHE A 42 -2.083 6.253 1.964 1.00 22.23 C ATOM 666 CE2 PHE A 42 -1.605 8.561 2.362 1.00 24.43 C ATOM 667 CZ PHE A 42 -2.393 7.448 2.582 1.00 5.15 C ATOM 0 H PHE A 42 2.544 7.306 -1.936 1.00 14.04 H new ATOM 0 HA PHE A 42 0.597 5.426 -1.168 1.00 33.13 H new ATOM 0 HB2 PHE A 42 1.801 6.658 0.495 1.00 72.41 H new ATOM 0 HB3 PHE A 42 1.370 8.200 -0.218 1.00 72.41 H new ATOM 0 HD1 PHE A 42 -0.750 5.237 0.643 1.00 71.40 H new ATOM 0 HD2 PHE A 42 0.100 9.350 1.352 1.00 30.51 H new ATOM 0 HE1 PHE A 42 -2.696 5.381 2.136 1.00 22.23 H new ATOM 0 HE2 PHE A 42 -1.844 9.497 2.846 1.00 24.43 H new ATOM 0 HZ PHE A 42 -3.250 7.512 3.236 1.00 5.15 H new ATOM 677 N LYS A 43 -0.596 8.280 -2.351 1.00 35.22 N ATOM 678 CA LYS A 43 -1.780 8.904 -2.927 1.00 71.33 C ATOM 679 C LYS A 43 -2.089 8.319 -4.301 1.00 4.44 C ATOM 680 O LYS A 43 -3.244 8.278 -4.723 1.00 44.22 O ATOM 681 CB LYS A 43 -1.582 10.417 -3.039 1.00 13.10 C ATOM 682 CG LYS A 43 -2.806 11.223 -2.640 1.00 51.22 C ATOM 683 CD LYS A 43 -2.518 12.715 -2.647 1.00 41.40 C ATOM 684 CE LYS A 43 -3.309 13.430 -3.732 1.00 64.31 C ATOM 685 NZ LYS A 43 -2.715 14.752 -4.072 1.00 11.11 N ATOM 0 H LYS A 43 0.222 8.888 -2.308 1.00 35.22 H new ATOM 0 HA LYS A 43 -2.623 8.702 -2.267 1.00 71.33 H new ATOM 0 HB2 LYS A 43 -0.742 10.712 -2.410 1.00 13.10 H new ATOM 0 HB3 LYS A 43 -1.314 10.665 -4.066 1.00 13.10 H new ATOM 0 HG2 LYS A 43 -3.625 11.006 -3.326 1.00 51.22 H new ATOM 0 HG3 LYS A 43 -3.134 10.920 -1.646 1.00 51.22 H new ATOM 0 HD2 LYS A 43 -2.767 13.139 -1.674 1.00 41.40 H new ATOM 0 HD3 LYS A 43 -1.452 12.880 -2.804 1.00 41.40 H new ATOM 0 HE2 LYS A 43 -3.344 12.807 -4.626 1.00 64.31 H new ATOM 0 HE3 LYS A 43 -4.338 13.569 -3.400 1.00 64.31 H new ATOM 0 HZ1 LYS A 43 -3.283 15.207 -4.815 1.00 11.11 H new ATOM 0 HZ2 LYS A 43 -2.704 15.356 -3.225 1.00 11.11 H new ATOM 0 HZ3 LYS A 43 -1.742 14.618 -4.414 1.00 11.11 H new ATOM 699 N SER A 44 -1.049 7.865 -4.994 1.00 31.12 N ATOM 700 CA SER A 44 -1.209 7.283 -6.321 1.00 23.13 C ATOM 701 C SER A 44 -1.881 5.916 -6.238 1.00 21.35 C ATOM 702 O SER A 44 -2.859 5.648 -6.937 1.00 62.14 O ATOM 703 CB SER A 44 0.149 7.156 -7.013 1.00 20.01 C ATOM 704 OG SER A 44 0.486 8.348 -7.700 1.00 70.04 O ATOM 0 H SER A 44 -0.086 7.889 -4.658 1.00 31.12 H new ATOM 0 HA SER A 44 -1.846 7.946 -6.907 1.00 23.13 H new ATOM 0 HB2 SER A 44 0.917 6.929 -6.274 1.00 20.01 H new ATOM 0 HB3 SER A 44 0.126 6.322 -7.715 1.00 20.01 H new ATOM 0 HG SER A 44 1.359 8.241 -8.132 1.00 70.04 H new ATOM 710 N ILE A 45 -1.348 5.053 -5.378 1.00 43.54 N ATOM 711 CA ILE A 45 -1.895 3.714 -5.202 1.00 1.31 C ATOM 712 C ILE A 45 -3.291 3.768 -4.591 1.00 5.44 C ATOM 713 O ILE A 45 -4.186 3.026 -4.998 1.00 3.14 O ATOM 714 CB ILE A 45 -0.989 2.849 -4.307 1.00 13.42 C ATOM 715 CG1 ILE A 45 0.344 2.574 -5.008 1.00 4.31 C ATOM 716 CG2 ILE A 45 -1.685 1.544 -3.952 1.00 21.32 C ATOM 717 CD1 ILE A 45 1.277 1.692 -4.209 1.00 21.42 C ATOM 0 H ILE A 45 -0.538 5.258 -4.793 1.00 43.54 H new ATOM 0 HA ILE A 45 -1.951 3.263 -6.193 1.00 1.31 H new ATOM 0 HB ILE A 45 -0.788 3.394 -3.384 1.00 13.42 H new ATOM 0 HG12 ILE A 45 0.148 2.103 -5.971 1.00 4.31 H new ATOM 0 HG13 ILE A 45 0.840 3.523 -5.212 1.00 4.31 H new ATOM 0 HG21 ILE A 45 -1.032 0.944 -3.319 1.00 21.32 H new ATOM 0 HG22 ILE A 45 -2.610 1.759 -3.418 1.00 21.32 H new ATOM 0 HG23 ILE A 45 -1.912 0.993 -4.865 1.00 21.32 H new ATOM 0 HD11 ILE A 45 2.201 1.540 -4.767 1.00 21.42 H new ATOM 0 HD12 ILE A 45 1.503 2.171 -3.256 1.00 21.42 H new ATOM 0 HD13 ILE A 45 0.800 0.729 -4.027 1.00 21.42 H new ATOM 729 N ASP A 46 -3.471 4.649 -3.615 1.00 25.24 N ATOM 730 CA ASP A 46 -4.760 4.801 -2.949 1.00 54.30 C ATOM 731 C ASP A 46 -5.773 5.471 -3.873 1.00 40.21 C ATOM 732 O ASP A 46 -5.563 6.595 -4.329 1.00 13.35 O ATOM 733 CB ASP A 46 -4.602 5.619 -1.666 1.00 51.31 C ATOM 734 CG ASP A 46 -5.599 5.217 -0.597 1.00 1.20 C ATOM 735 OD1 ASP A 46 -6.666 4.675 -0.954 1.00 41.41 O ATOM 736 OD2 ASP A 46 -5.312 5.444 0.596 1.00 35.24 O ATOM 0 H ASP A 46 -2.741 5.270 -3.266 1.00 25.24 H new ATOM 0 HA ASP A 46 -5.129 3.808 -2.694 1.00 54.30 H new ATOM 0 HB2 ASP A 46 -3.590 5.493 -1.281 1.00 51.31 H new ATOM 0 HB3 ASP A 46 -4.727 6.677 -1.896 1.00 51.31 H new ATOM 741 N ALA A 47 -6.870 4.773 -4.144 1.00 63.33 N ATOM 742 CA ALA A 47 -7.916 5.301 -5.012 1.00 15.21 C ATOM 743 C ALA A 47 -8.565 6.538 -4.401 1.00 11.22 C ATOM 744 O ALA A 47 -8.844 7.513 -5.099 1.00 14.11 O ATOM 745 CB ALA A 47 -8.964 4.232 -5.284 1.00 51.52 C ATOM 0 H ALA A 47 -7.058 3.841 -3.775 1.00 63.33 H new ATOM 0 HA ALA A 47 -7.457 5.594 -5.956 1.00 15.21 H new ATOM 0 HB1 ALA A 47 -9.739 4.639 -5.933 1.00 51.52 H new ATOM 0 HB2 ALA A 47 -8.494 3.378 -5.771 1.00 51.52 H new ATOM 0 HB3 ALA A 47 -9.410 3.912 -4.342 1.00 51.52 H new ATOM 751 N ASP A 48 -8.804 6.490 -3.095 1.00 21.30 N ATOM 752 CA ASP A 48 -9.420 7.609 -2.389 1.00 5.45 C ATOM 753 C ASP A 48 -8.406 8.310 -1.492 1.00 52.15 C ATOM 754 O ASP A 48 -8.624 9.439 -1.056 1.00 71.24 O ATOM 755 CB ASP A 48 -10.605 7.121 -1.556 1.00 25.20 C ATOM 756 CG ASP A 48 -10.212 6.048 -0.560 1.00 32.23 C ATOM 757 OD1 ASP A 48 -9.021 5.673 -0.532 1.00 33.12 O ATOM 758 OD2 ASP A 48 -11.093 5.584 0.192 1.00 62.52 O ATOM 0 H ASP A 48 -8.581 5.689 -2.504 1.00 21.30 H new ATOM 0 HA ASP A 48 -9.776 8.324 -3.131 1.00 5.45 H new ATOM 0 HB2 ASP A 48 -11.042 7.965 -1.022 1.00 25.20 H new ATOM 0 HB3 ASP A 48 -11.376 6.731 -2.220 1.00 25.20 H new ATOM 763 N GLY A 49 -7.294 7.632 -1.220 1.00 24.11 N ATOM 764 CA GLY A 49 -6.263 8.206 -0.375 1.00 2.41 C ATOM 765 C GLY A 49 -6.784 8.591 0.995 1.00 22.40 C ATOM 766 O GLY A 49 -6.326 9.565 1.590 1.00 74.33 O ATOM 0 H GLY A 49 -7.089 6.696 -1.570 1.00 24.11 H new ATOM 0 HA2 GLY A 49 -5.449 7.490 -0.263 1.00 2.41 H new ATOM 0 HA3 GLY A 49 -5.847 9.087 -0.863 1.00 2.41 H new ATOM 770 N ASN A 50 -7.748 7.824 1.497 1.00 52.22 N ATOM 771 CA ASN A 50 -8.334 8.091 2.805 1.00 35.33 C ATOM 772 C ASN A 50 -7.487 7.476 3.916 1.00 53.21 C ATOM 773 O ASN A 50 -7.809 6.410 4.439 1.00 42.13 O ATOM 774 CB ASN A 50 -9.759 7.540 2.872 1.00 51.31 C ATOM 775 CG ASN A 50 -9.813 6.044 2.626 1.00 63.34 C ATOM 776 OD1 ASN A 50 -8.893 5.465 2.049 1.00 71.24 O ATOM 777 ND2 ASN A 50 -10.896 5.412 3.064 1.00 11.32 N ATOM 0 H ASN A 50 -8.139 7.013 1.017 1.00 52.22 H new ATOM 0 HA ASN A 50 -8.363 9.171 2.948 1.00 35.33 H new ATOM 0 HB2 ASN A 50 -10.185 7.760 3.851 1.00 51.31 H new ATOM 0 HB3 ASN A 50 -10.378 8.049 2.133 1.00 51.31 H new ATOM 0 HD21 ASN A 50 -10.990 4.406 2.927 1.00 11.32 H new ATOM 0 HD22 ASN A 50 -11.634 5.933 3.537 1.00 11.32 H new ATOM 784 N GLY A 51 -6.402 8.158 4.272 1.00 22.34 N ATOM 785 CA GLY A 51 -5.526 7.663 5.320 1.00 44.55 C ATOM 786 C GLY A 51 -4.780 6.410 4.907 1.00 22.44 C ATOM 787 O GLY A 51 -3.580 6.287 5.149 1.00 62.23 O ATOM 0 H GLY A 51 -6.114 9.043 3.855 1.00 22.34 H new ATOM 0 HA2 GLY A 51 -4.808 8.439 5.586 1.00 44.55 H new ATOM 0 HA3 GLY A 51 -6.115 7.454 6.213 1.00 44.55 H new ATOM 791 N GLU A 52 -5.493 5.476 4.286 1.00 44.44 N ATOM 792 CA GLU A 52 -4.891 4.225 3.842 1.00 5.34 C ATOM 793 C GLU A 52 -5.618 3.674 2.618 1.00 75.41 C ATOM 794 O GLU A 52 -6.724 4.107 2.294 1.00 43.35 O ATOM 795 CB GLU A 52 -4.916 3.193 4.970 1.00 33.52 C ATOM 796 CG GLU A 52 -6.238 3.140 5.718 1.00 31.13 C ATOM 797 CD GLU A 52 -7.431 3.061 4.787 1.00 21.02 C ATOM 798 OE1 GLU A 52 -7.474 2.129 3.956 1.00 61.21 O ATOM 799 OE2 GLU A 52 -8.324 3.928 4.889 1.00 74.53 O ATOM 0 H GLU A 52 -6.488 5.562 4.079 1.00 44.44 H new ATOM 0 HA GLU A 52 -3.856 4.428 3.567 1.00 5.34 H new ATOM 0 HB2 GLU A 52 -4.704 2.208 4.554 1.00 33.52 H new ATOM 0 HB3 GLU A 52 -4.117 3.420 5.676 1.00 33.52 H new ATOM 0 HG2 GLU A 52 -6.242 2.275 6.381 1.00 31.13 H new ATOM 0 HG3 GLU A 52 -6.331 4.025 6.347 1.00 31.13 H new ATOM 806 N ILE A 53 -4.989 2.717 1.945 1.00 51.14 N ATOM 807 CA ILE A 53 -5.576 2.107 0.758 1.00 11.34 C ATOM 808 C ILE A 53 -6.313 0.819 1.110 1.00 2.54 C ATOM 809 O ILE A 53 -5.741 -0.092 1.708 1.00 52.11 O ATOM 810 CB ILE A 53 -4.504 1.798 -0.305 1.00 24.45 C ATOM 811 CG1 ILE A 53 -3.493 2.942 -0.387 1.00 12.10 C ATOM 812 CG2 ILE A 53 -5.155 1.560 -1.659 1.00 40.30 C ATOM 813 CD1 ILE A 53 -2.114 2.567 0.109 1.00 62.55 C ATOM 0 H ILE A 53 -4.073 2.347 2.201 1.00 51.14 H new ATOM 0 HA ILE A 53 -6.284 2.828 0.349 1.00 11.34 H new ATOM 0 HB ILE A 53 -3.975 0.891 -0.014 1.00 24.45 H new ATOM 0 HG12 ILE A 53 -3.419 3.277 -1.421 1.00 12.10 H new ATOM 0 HG13 ILE A 53 -3.863 3.785 0.196 1.00 12.10 H new ATOM 0 HG21 ILE A 53 -4.385 1.343 -2.400 1.00 40.30 H new ATOM 0 HG22 ILE A 53 -5.840 0.715 -1.590 1.00 40.30 H new ATOM 0 HG23 ILE A 53 -5.706 2.451 -1.959 1.00 40.30 H new ATOM 0 HD11 ILE A 53 -1.450 3.427 0.021 1.00 62.55 H new ATOM 0 HD12 ILE A 53 -2.174 2.260 1.153 1.00 62.55 H new ATOM 0 HD13 ILE A 53 -1.723 1.744 -0.489 1.00 62.55 H new ATOM 825 N ASP A 54 -7.585 0.751 0.732 1.00 25.34 N ATOM 826 CA ASP A 54 -8.401 -0.427 1.006 1.00 43.21 C ATOM 827 C ASP A 54 -8.062 -1.559 0.040 1.00 42.14 C ATOM 828 O ASP A 54 -7.501 -1.326 -1.030 1.00 14.11 O ATOM 829 CB ASP A 54 -9.886 -0.080 0.902 1.00 44.12 C ATOM 830 CG ASP A 54 -10.207 1.277 1.497 1.00 33.40 C ATOM 831 OD1 ASP A 54 -9.504 1.689 2.444 1.00 64.15 O ATOM 832 OD2 ASP A 54 -11.160 1.926 1.018 1.00 72.12 O ATOM 0 H ASP A 54 -8.073 1.497 0.236 1.00 25.34 H new ATOM 0 HA ASP A 54 -8.184 -0.761 2.021 1.00 43.21 H new ATOM 0 HB2 ASP A 54 -10.187 -0.094 -0.146 1.00 44.12 H new ATOM 0 HB3 ASP A 54 -10.471 -0.845 1.412 1.00 44.12 H new ATOM 837 N GLN A 55 -8.406 -2.783 0.426 1.00 64.23 N ATOM 838 CA GLN A 55 -8.136 -3.950 -0.405 1.00 43.21 C ATOM 839 C GLN A 55 -8.741 -3.780 -1.796 1.00 74.41 C ATOM 840 O GLN A 55 -8.103 -4.087 -2.801 1.00 5.10 O ATOM 841 CB GLN A 55 -8.693 -5.213 0.255 1.00 63.43 C ATOM 842 CG GLN A 55 -10.175 -5.126 0.579 1.00 65.22 C ATOM 843 CD GLN A 55 -10.661 -6.298 1.410 1.00 41.25 C ATOM 844 OE1 GLN A 55 -11.018 -7.348 0.874 1.00 71.23 O ATOM 845 NE2 GLN A 55 -10.676 -6.125 2.726 1.00 43.55 N ATOM 0 H GLN A 55 -8.872 -2.992 1.309 1.00 64.23 H new ATOM 0 HA GLN A 55 -7.055 -4.049 -0.508 1.00 43.21 H new ATOM 0 HB2 GLN A 55 -8.523 -6.063 -0.405 1.00 63.43 H new ATOM 0 HB3 GLN A 55 -8.139 -5.407 1.174 1.00 63.43 H new ATOM 0 HG2 GLN A 55 -10.372 -4.198 1.116 1.00 65.22 H new ATOM 0 HG3 GLN A 55 -10.744 -5.083 -0.350 1.00 65.22 H new ATOM 0 HE21 GLN A 55 -10.371 -5.238 3.127 1.00 43.55 H new ATOM 0 HE22 GLN A 55 -10.992 -6.879 3.336 1.00 43.55 H new ATOM 854 N ASN A 56 -9.974 -3.288 -1.842 1.00 4.15 N ATOM 855 CA ASN A 56 -10.666 -3.079 -3.109 1.00 55.54 C ATOM 856 C ASN A 56 -9.872 -2.139 -4.012 1.00 71.24 C ATOM 857 O ASN A 56 -9.629 -2.443 -5.180 1.00 25.42 O ATOM 858 CB ASN A 56 -12.064 -2.507 -2.863 1.00 0.11 C ATOM 859 CG ASN A 56 -13.084 -3.029 -3.855 1.00 4.21 C ATOM 860 OD1 ASN A 56 -13.529 -4.174 -3.762 1.00 53.53 O ATOM 861 ND2 ASN A 56 -13.461 -2.188 -4.812 1.00 5.25 N ATOM 0 H ASN A 56 -10.515 -3.027 -1.018 1.00 4.15 H new ATOM 0 HA ASN A 56 -10.758 -4.044 -3.608 1.00 55.54 H new ATOM 0 HB2 ASN A 56 -12.383 -2.758 -1.851 1.00 0.11 H new ATOM 0 HB3 ASN A 56 -12.025 -1.419 -2.925 1.00 0.11 H new ATOM 0 HD21 ASN A 56 -14.146 -2.482 -5.509 1.00 5.25 H new ATOM 0 HD22 ASN A 56 -13.066 -1.248 -4.850 1.00 5.25 H new ATOM 868 N GLU A 57 -9.471 -0.997 -3.463 1.00 22.52 N ATOM 869 CA GLU A 57 -8.705 -0.013 -4.219 1.00 44.42 C ATOM 870 C GLU A 57 -7.402 -0.618 -4.735 1.00 22.43 C ATOM 871 O GLU A 57 -7.021 -0.409 -5.887 1.00 73.51 O ATOM 872 CB GLU A 57 -8.404 1.209 -3.351 1.00 72.15 C ATOM 873 CG GLU A 57 -9.648 1.879 -2.790 1.00 71.32 C ATOM 874 CD GLU A 57 -9.365 2.675 -1.531 1.00 73.22 C ATOM 875 OE1 GLU A 57 -8.201 2.670 -1.076 1.00 4.21 O ATOM 876 OE2 GLU A 57 -10.306 3.302 -1.000 1.00 14.52 O ATOM 0 H GLU A 57 -9.664 -0.730 -2.498 1.00 22.52 H new ATOM 0 HA GLU A 57 -9.305 0.298 -5.074 1.00 44.42 H new ATOM 0 HB2 GLU A 57 -7.760 0.908 -2.525 1.00 72.15 H new ATOM 0 HB3 GLU A 57 -7.846 1.935 -3.942 1.00 72.15 H new ATOM 0 HG2 GLU A 57 -10.072 2.540 -3.546 1.00 71.32 H new ATOM 0 HG3 GLU A 57 -10.399 1.119 -2.574 1.00 71.32 H new ATOM 883 N PHE A 58 -6.724 -1.369 -3.873 1.00 51.12 N ATOM 884 CA PHE A 58 -5.463 -2.002 -4.240 1.00 1.40 C ATOM 885 C PHE A 58 -5.662 -2.983 -5.392 1.00 10.22 C ATOM 886 O PHE A 58 -4.890 -2.997 -6.350 1.00 54.44 O ATOM 887 CB PHE A 58 -4.863 -2.729 -3.034 1.00 1.42 C ATOM 888 CG PHE A 58 -3.391 -2.994 -3.165 1.00 21.11 C ATOM 889 CD1 PHE A 58 -2.920 -3.931 -4.070 1.00 52.20 C ATOM 890 CD2 PHE A 58 -2.478 -2.305 -2.382 1.00 22.15 C ATOM 891 CE1 PHE A 58 -1.565 -4.176 -4.193 1.00 13.12 C ATOM 892 CE2 PHE A 58 -1.122 -2.546 -2.501 1.00 4.15 C ATOM 893 CZ PHE A 58 -0.665 -3.484 -3.407 1.00 30.02 C ATOM 0 H PHE A 58 -7.027 -1.554 -2.917 1.00 51.12 H new ATOM 0 HA PHE A 58 -4.775 -1.222 -4.565 1.00 1.40 H new ATOM 0 HB2 PHE A 58 -5.039 -2.135 -2.137 1.00 1.42 H new ATOM 0 HB3 PHE A 58 -5.384 -3.677 -2.895 1.00 1.42 H new ATOM 0 HD1 PHE A 58 -3.619 -4.476 -4.686 1.00 52.20 H new ATOM 0 HD2 PHE A 58 -2.830 -1.572 -1.671 1.00 22.15 H new ATOM 0 HE1 PHE A 58 -1.211 -4.908 -4.903 1.00 13.12 H new ATOM 0 HE2 PHE A 58 -0.420 -2.002 -1.886 1.00 4.15 H new ATOM 0 HZ PHE A 58 0.394 -3.675 -3.500 1.00 30.02 H new ATOM 903 N ALA A 59 -6.703 -3.803 -5.291 1.00 71.33 N ATOM 904 CA ALA A 59 -7.005 -4.785 -6.323 1.00 10.12 C ATOM 905 C ALA A 59 -7.237 -4.111 -7.671 1.00 0.22 C ATOM 906 O ALA A 59 -6.652 -4.503 -8.682 1.00 74.34 O ATOM 907 CB ALA A 59 -8.221 -5.611 -5.928 1.00 73.53 C ATOM 0 H ALA A 59 -7.351 -3.806 -4.504 1.00 71.33 H new ATOM 0 HA ALA A 59 -6.145 -5.448 -6.420 1.00 10.12 H new ATOM 0 HB1 ALA A 59 -8.435 -6.341 -6.709 1.00 73.53 H new ATOM 0 HB2 ALA A 59 -8.019 -6.131 -4.991 1.00 73.53 H new ATOM 0 HB3 ALA A 59 -9.081 -4.954 -5.800 1.00 73.53 H new ATOM 913 N LYS A 60 -8.095 -3.097 -7.681 1.00 64.41 N ATOM 914 CA LYS A 60 -8.405 -2.367 -8.904 1.00 0.21 C ATOM 915 C LYS A 60 -7.160 -1.683 -9.459 1.00 60.44 C ATOM 916 O LYS A 60 -7.041 -1.472 -10.666 1.00 51.43 O ATOM 917 CB LYS A 60 -9.498 -1.329 -8.641 1.00 22.42 C ATOM 918 CG LYS A 60 -10.878 -1.769 -9.096 1.00 1.02 C ATOM 919 CD LYS A 60 -11.310 -3.051 -8.404 1.00 64.51 C ATOM 920 CE LYS A 60 -11.410 -4.208 -9.386 1.00 13.43 C ATOM 921 NZ LYS A 60 -12.329 -5.273 -8.898 1.00 5.05 N ATOM 0 H LYS A 60 -8.589 -2.762 -6.854 1.00 64.41 H new ATOM 0 HA LYS A 60 -8.765 -3.083 -9.643 1.00 0.21 H new ATOM 0 HB2 LYS A 60 -9.530 -1.110 -7.574 1.00 22.42 H new ATOM 0 HB3 LYS A 60 -9.236 -0.401 -9.149 1.00 22.42 H new ATOM 0 HG2 LYS A 60 -11.600 -0.980 -8.886 1.00 1.02 H new ATOM 0 HG3 LYS A 60 -10.875 -1.920 -10.175 1.00 1.02 H new ATOM 0 HD2 LYS A 60 -10.597 -3.300 -7.618 1.00 64.51 H new ATOM 0 HD3 LYS A 60 -12.275 -2.898 -7.921 1.00 64.51 H new ATOM 0 HE2 LYS A 60 -11.762 -3.838 -10.349 1.00 13.43 H new ATOM 0 HE3 LYS A 60 -10.419 -4.631 -9.551 1.00 13.43 H new ATOM 0 HZ1 LYS A 60 -12.369 -6.043 -9.596 1.00 5.05 H new ATOM 0 HZ2 LYS A 60 -11.979 -5.645 -7.992 1.00 5.05 H new ATOM 0 HZ3 LYS A 60 -13.281 -4.876 -8.765 1.00 5.05 H new ATOM 935 N PHE A 61 -6.235 -1.336 -8.570 1.00 24.51 N ATOM 936 CA PHE A 61 -4.999 -0.675 -8.971 1.00 11.03 C ATOM 937 C PHE A 61 -4.031 -1.669 -9.607 1.00 63.31 C ATOM 938 O PHE A 61 -3.300 -1.331 -10.538 1.00 3.24 O ATOM 939 CB PHE A 61 -4.339 -0.005 -7.765 1.00 71.52 C ATOM 940 CG PHE A 61 -2.878 0.278 -7.960 1.00 54.03 C ATOM 941 CD1 PHE A 61 -2.448 1.081 -9.004 1.00 73.44 C ATOM 942 CD2 PHE A 61 -1.933 -0.261 -7.101 1.00 51.53 C ATOM 943 CE1 PHE A 61 -1.103 1.344 -9.187 1.00 74.41 C ATOM 944 CE2 PHE A 61 -0.587 -0.002 -7.280 1.00 72.45 C ATOM 945 CZ PHE A 61 -0.171 0.801 -8.324 1.00 20.33 C ATOM 0 H PHE A 61 -6.318 -1.502 -7.567 1.00 24.51 H new ATOM 0 HA PHE A 61 -5.248 0.086 -9.710 1.00 11.03 H new ATOM 0 HB2 PHE A 61 -4.856 0.930 -7.551 1.00 71.52 H new ATOM 0 HB3 PHE A 61 -4.463 -0.645 -6.891 1.00 71.52 H new ATOM 0 HD1 PHE A 61 -3.172 1.507 -9.683 1.00 73.44 H new ATOM 0 HD2 PHE A 61 -2.252 -0.890 -6.283 1.00 51.53 H new ATOM 0 HE1 PHE A 61 -0.781 1.973 -10.004 1.00 74.41 H new ATOM 0 HE2 PHE A 61 0.139 -0.428 -6.603 1.00 72.45 H new ATOM 0 HZ PHE A 61 0.880 1.004 -8.465 1.00 20.33 H new ATOM 955 N TYR A 62 -4.034 -2.896 -9.097 1.00 31.20 N ATOM 956 CA TYR A 62 -3.155 -3.939 -9.611 1.00 43.24 C ATOM 957 C TYR A 62 -3.464 -4.240 -11.074 1.00 5.40 C ATOM 958 O TYR A 62 -4.570 -4.661 -11.413 1.00 0.31 O ATOM 959 CB TYR A 62 -3.297 -5.213 -8.776 1.00 72.11 C ATOM 960 CG TYR A 62 -2.529 -6.391 -9.333 1.00 70.42 C ATOM 961 CD1 TYR A 62 -1.211 -6.623 -8.962 1.00 10.32 C ATOM 962 CD2 TYR A 62 -3.122 -7.271 -10.229 1.00 65.21 C ATOM 963 CE1 TYR A 62 -0.505 -7.697 -9.468 1.00 2.43 C ATOM 964 CE2 TYR A 62 -2.426 -8.349 -10.739 1.00 51.14 C ATOM 965 CZ TYR A 62 -1.118 -8.558 -10.356 1.00 13.41 C ATOM 966 OH TYR A 62 -0.419 -9.630 -10.862 1.00 54.33 O ATOM 0 H TYR A 62 -4.635 -3.192 -8.328 1.00 31.20 H new ATOM 0 HA TYR A 62 -2.128 -3.580 -9.542 1.00 43.24 H new ATOM 0 HB2 TYR A 62 -2.953 -5.013 -7.761 1.00 72.11 H new ATOM 0 HB3 TYR A 62 -4.352 -5.477 -8.708 1.00 72.11 H new ATOM 0 HD1 TYR A 62 -0.730 -5.952 -8.266 1.00 10.32 H new ATOM 0 HD2 TYR A 62 -4.146 -7.109 -10.532 1.00 65.21 H new ATOM 0 HE1 TYR A 62 0.520 -7.862 -9.171 1.00 2.43 H new ATOM 0 HE2 TYR A 62 -2.903 -9.024 -11.434 1.00 51.14 H new ATOM 0 HH TYR A 62 -0.994 -10.137 -11.472 1.00 54.33 H new ATOM 976 N GLY A 63 -2.479 -4.019 -11.939 1.00 0.34 N ATOM 977 CA GLY A 63 -2.664 -4.272 -13.355 1.00 42.41 C ATOM 978 C GLY A 63 -3.323 -3.109 -14.071 1.00 22.33 C ATOM 979 O GLY A 63 -3.612 -3.190 -15.265 1.00 71.42 O ATOM 0 H GLY A 63 -1.556 -3.669 -11.684 1.00 0.34 H new ATOM 0 HA2 GLY A 63 -1.697 -4.476 -13.814 1.00 42.41 H new ATOM 0 HA3 GLY A 63 -3.273 -5.167 -13.485 1.00 42.41 H new