USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 22 LYS NZ :NH3+ -146:sc= 0.00642 (180deg=0) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.00632 F(o=-0.62,f=0.013) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 157:sc= -0.679 (180deg=-1.27) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= -0.0471 USER MOD Set 3.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.021 USER MOD Single : A 19 GLN : amide:sc= -2.35 K(o=-2.4,f=-4.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.83 USER MOD Single : A 44 ASN : amide:sc= 0.168 K(o=0.17,f=-4.1!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 6:sc= 0.255 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.28 K(o=-2.3,f=-3.6!) USER MOD Single : A 68 ASN : amide:sc= -0.955 K(o=-0.96,f=-2.8!) USER MOD Single : A 69 ASN : amide:sc= -0.0937 K(o=-0.094,f=-2.2!) USER MOD Single : A 70 CYS SG : rot 22:sc= -5.34! USER MOD Single : A 76 SER OG : rot -145:sc= -0.573 USER MOD Single : A 79 TYR OH : rot -86:sc= 0.548 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot 24:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -2.55 USER MOD Single : A 89 THR OG1 : rot -177:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 9 -11.935 -0.577 -9.134 1.00 0.00 N ATOM 77 CA ALA A 9 -12.081 -0.579 -7.684 1.00 0.00 C ATOM 78 C ALA A 9 -11.079 0.367 -7.030 1.00 0.00 C ATOM 79 O ALA A 9 -11.299 0.848 -5.918 1.00 0.00 O ATOM 80 CB ALA A 9 -11.912 -1.989 -7.138 1.00 0.00 C ATOM 0 HA ALA A 9 -13.084 -0.226 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.024 -1.975 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.670 -2.641 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.921 -2.363 -7.396 1.00 0.00 H new ATOM 86 N PHE A 10 -9.979 0.630 -7.726 1.00 0.00 N ATOM 87 CA PHE A 10 -8.942 1.518 -7.212 1.00 0.00 C ATOM 88 C PHE A 10 -8.933 2.841 -7.972 1.00 0.00 C ATOM 89 O PHE A 10 -8.568 2.892 -9.146 1.00 0.00 O ATOM 90 CB PHE A 10 -7.570 0.848 -7.316 1.00 0.00 C ATOM 91 CG PHE A 10 -7.281 -0.103 -6.189 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.967 0.373 -4.927 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.324 -1.473 -6.394 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.700 -0.500 -3.889 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.058 -2.351 -5.360 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.747 -1.864 -4.105 1.00 0.00 C ATOM 0 H PHE A 10 -9.782 0.241 -8.648 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.161 1.723 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.509 0.308 -8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.799 1.618 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.930 1.438 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.568 -1.859 -7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.455 -0.116 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.093 -3.416 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.541 -2.548 -3.295 1.00 0.00 H new ATOM 106 N ALA A 11 -9.338 3.909 -7.293 1.00 0.00 N ATOM 107 CA ALA A 11 -9.376 5.232 -7.903 1.00 0.00 C ATOM 108 C ALA A 11 -7.969 5.743 -8.194 1.00 0.00 C ATOM 109 O ALA A 11 -7.754 6.495 -9.145 1.00 0.00 O ATOM 110 CB ALA A 11 -10.117 6.208 -7.001 1.00 0.00 C ATOM 0 H ALA A 11 -9.644 3.884 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.909 5.153 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.138 7.192 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.138 5.858 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.607 6.274 -6.040 1.00 0.00 H new ATOM 116 N LYS A 12 -7.012 5.330 -7.370 1.00 0.00 N ATOM 117 CA LYS A 12 -5.624 5.744 -7.539 1.00 0.00 C ATOM 118 C LYS A 12 -4.670 4.615 -7.165 1.00 0.00 C ATOM 119 O LYS A 12 -4.506 4.291 -5.988 1.00 0.00 O ATOM 120 CB LYS A 12 -5.331 6.978 -6.682 1.00 0.00 C ATOM 121 CG LYS A 12 -4.142 7.788 -7.169 1.00 0.00 C ATOM 122 CD LYS A 12 -4.486 8.589 -8.414 1.00 0.00 C ATOM 123 CE LYS A 12 -5.103 9.933 -8.059 1.00 0.00 C ATOM 124 NZ LYS A 12 -5.427 10.732 -9.273 1.00 0.00 N ATOM 0 H LYS A 12 -7.172 4.708 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.470 5.993 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.214 7.617 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.148 6.662 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.813 8.464 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.308 7.119 -7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.585 8.746 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.180 8.021 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.010 9.774 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.413 10.494 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.846 11.641 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.557 10.906 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.105 10.208 -9.863 1.00 0.00 H new ATOM 138 N ILE A 13 -4.042 4.019 -8.174 1.00 0.00 N ATOM 139 CA ILE A 13 -3.102 2.928 -7.950 1.00 0.00 C ATOM 140 C ILE A 13 -1.743 3.456 -7.504 1.00 0.00 C ATOM 141 O ILE A 13 -1.417 4.624 -7.719 1.00 0.00 O ATOM 142 CB ILE A 13 -2.918 2.074 -9.218 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.301 2.913 -10.339 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.251 1.488 -9.660 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.626 2.087 -11.411 1.00 0.00 C ATOM 0 H ILE A 13 -4.167 4.274 -9.154 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.524 2.305 -7.161 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.240 1.252 -8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.081 3.521 -10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.572 3.600 -9.909 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.105 0.887 -10.557 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.654 0.861 -8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.950 2.296 -9.875 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.212 2.748 -12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.824 1.498 -10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.355 1.419 -11.869 1.00 0.00 H new ATOM 157 N LEU A 14 -0.951 2.587 -6.884 1.00 0.00 N ATOM 158 CA LEU A 14 0.375 2.965 -6.409 1.00 0.00 C ATOM 159 C LEU A 14 1.344 3.131 -7.576 1.00 0.00 C ATOM 160 O LEU A 14 1.334 2.342 -8.521 1.00 0.00 O ATOM 161 CB LEU A 14 0.908 1.913 -5.435 1.00 0.00 C ATOM 162 CG LEU A 14 -0.032 1.515 -4.296 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.237 0.084 -3.858 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.118 2.472 -3.123 1.00 0.00 C ATOM 0 H LEU A 14 -1.204 1.616 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 14 0.290 3.921 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.160 1.017 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.835 2.286 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.058 1.575 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.441 -0.182 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.078 -0.590 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.267 -0.003 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.558 2.174 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.145 2.444 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.126 3.484 -3.446 1.00 0.00 H new ATOM 176 N ASP A 15 2.181 4.160 -7.501 1.00 0.00 N ATOM 177 CA ASP A 15 3.159 4.429 -8.549 1.00 0.00 C ATOM 178 C ASP A 15 3.851 3.142 -8.988 1.00 0.00 C ATOM 179 O ASP A 15 3.895 2.151 -8.259 1.00 0.00 O ATOM 180 CB ASP A 15 4.197 5.440 -8.061 1.00 0.00 C ATOM 181 CG ASP A 15 3.791 6.872 -8.350 1.00 0.00 C ATOM 182 OD1 ASP A 15 4.138 7.379 -9.438 1.00 0.00 O ATOM 183 OD2 ASP A 15 3.126 7.485 -7.490 1.00 0.00 O ATOM 0 H ASP A 15 2.202 4.822 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 15 2.631 4.848 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.344 5.317 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.154 5.233 -8.539 1.00 0.00 H new ATOM 188 N PRO A 16 4.405 3.155 -10.210 1.00 0.00 N ATOM 189 CA PRO A 16 5.105 1.997 -10.774 1.00 0.00 C ATOM 190 C PRO A 16 6.428 1.720 -10.070 1.00 0.00 C ATOM 191 O PRO A 16 7.011 0.647 -10.224 1.00 0.00 O ATOM 192 CB PRO A 16 5.348 2.405 -12.229 1.00 0.00 C ATOM 193 CG PRO A 16 5.360 3.894 -12.209 1.00 0.00 C ATOM 194 CD PRO A 16 4.391 4.302 -11.134 1.00 0.00 C ATOM 0 HA PRO A 16 4.528 1.079 -10.665 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.293 2.007 -12.599 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.563 2.024 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.360 4.273 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.063 4.300 -13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.704 5.221 -10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.394 4.481 -11.538 1.00 0.00 H new ATOM 202 N ALA A 17 6.897 2.694 -9.296 1.00 0.00 N ATOM 203 CA ALA A 17 8.151 2.553 -8.566 1.00 0.00 C ATOM 204 C ALA A 17 8.339 3.695 -7.574 1.00 0.00 C ATOM 205 O ALA A 17 7.901 4.820 -7.816 1.00 0.00 O ATOM 206 CB ALA A 17 9.322 2.496 -9.536 1.00 0.00 C ATOM 0 H ALA A 17 6.427 3.589 -9.159 1.00 0.00 H new ATOM 0 HA ALA A 17 8.113 1.620 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.252 2.391 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.201 1.643 -10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.353 3.414 -10.123 1.00 0.00 H new ATOM 212 N TYR A 18 8.993 3.399 -6.456 1.00 0.00 N ATOM 213 CA TYR A 18 9.236 4.401 -5.424 1.00 0.00 C ATOM 214 C TYR A 18 10.726 4.514 -5.116 1.00 0.00 C ATOM 215 O TYR A 18 11.516 3.650 -5.494 1.00 0.00 O ATOM 216 CB TYR A 18 8.465 4.050 -4.151 1.00 0.00 C ATOM 217 CG TYR A 18 6.979 4.312 -4.251 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.180 3.572 -5.114 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.374 5.298 -3.481 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.822 3.809 -5.209 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.017 5.540 -3.569 1.00 0.00 C ATOM 222 CZ TYR A 18 4.245 4.794 -4.434 1.00 0.00 C ATOM 223 OH TYR A 18 2.893 5.031 -4.525 1.00 0.00 O ATOM 0 H TYR A 18 9.364 2.474 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 18 8.887 5.364 -5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.625 2.997 -3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.872 4.626 -3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.628 2.799 -5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.975 5.885 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.215 3.226 -5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.563 6.310 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 18 2.646 5.755 -3.913 1.00 0.00 H new ATOM 233 N GLN A 19 11.100 5.586 -4.425 1.00 0.00 N ATOM 234 CA GLN A 19 12.495 5.813 -4.065 1.00 0.00 C ATOM 235 C GLN A 19 12.600 6.547 -2.732 1.00 0.00 C ATOM 236 O GLN A 19 12.004 7.608 -2.547 1.00 0.00 O ATOM 237 CB GLN A 19 13.202 6.615 -5.159 1.00 0.00 C ATOM 238 CG GLN A 19 13.126 5.969 -6.533 1.00 0.00 C ATOM 239 CD GLN A 19 11.839 6.300 -7.263 1.00 0.00 C ATOM 240 OE1 GLN A 19 11.000 7.047 -6.759 1.00 0.00 O ATOM 241 NE2 GLN A 19 11.677 5.745 -8.458 1.00 0.00 N ATOM 0 H GLN A 19 10.458 6.310 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 19 12.981 4.842 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.761 7.611 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.249 6.743 -4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.974 6.299 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.211 4.888 -6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.398 5.132 -8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.831 5.932 -8.997 1.00 0.00 H new ATOM 250 N VAL A 20 13.363 5.974 -1.806 1.00 0.00 N ATOM 251 CA VAL A 20 13.547 6.574 -0.490 1.00 0.00 C ATOM 252 C VAL A 20 14.982 6.403 -0.004 1.00 0.00 C ATOM 253 O VAL A 20 15.724 5.561 -0.511 1.00 0.00 O ATOM 254 CB VAL A 20 12.589 5.957 0.547 1.00 0.00 C ATOM 255 CG1 VAL A 20 13.041 4.554 0.923 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.496 6.844 1.779 1.00 0.00 C ATOM 0 H VAL A 20 13.863 5.096 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 20 13.325 7.636 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 20 11.596 5.886 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.352 4.134 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.052 3.924 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.043 4.597 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.815 6.393 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.484 6.948 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.122 7.827 1.492 1.00 0.00 H new ATOM 266 N ASP A 21 15.367 7.208 0.980 1.00 0.00 N ATOM 267 CA ASP A 21 16.714 7.145 1.536 1.00 0.00 C ATOM 268 C ASP A 21 16.817 6.045 2.588 1.00 0.00 C ATOM 269 O ASP A 21 15.850 5.750 3.291 1.00 0.00 O ATOM 270 CB ASP A 21 17.098 8.492 2.150 1.00 0.00 C ATOM 271 CG ASP A 21 15.968 9.107 2.953 1.00 0.00 C ATOM 272 OD1 ASP A 21 15.384 8.394 3.796 1.00 0.00 O ATOM 273 OD2 ASP A 21 15.666 10.299 2.737 1.00 0.00 O ATOM 0 H ASP A 21 14.766 7.912 1.409 1.00 0.00 H new ATOM 0 HA ASP A 21 17.405 6.913 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.967 8.359 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.391 9.179 1.356 1.00 0.00 H new ATOM 278 N LYS A 22 17.996 5.441 2.691 1.00 0.00 N ATOM 279 CA LYS A 22 18.227 4.373 3.657 1.00 0.00 C ATOM 280 C LYS A 22 17.590 4.708 5.002 1.00 0.00 C ATOM 281 O LYS A 22 17.406 5.878 5.338 1.00 0.00 O ATOM 282 CB LYS A 22 19.728 4.136 3.836 1.00 0.00 C ATOM 283 CG LYS A 22 20.054 2.965 4.747 1.00 0.00 C ATOM 284 CD LYS A 22 21.493 3.021 5.234 1.00 0.00 C ATOM 285 CE LYS A 22 21.910 1.716 5.893 1.00 0.00 C ATOM 286 NZ LYS A 22 21.605 1.708 7.351 1.00 0.00 N ATOM 0 H LYS A 22 18.807 5.673 2.117 1.00 0.00 H new ATOM 0 HA LYS A 22 17.765 3.464 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 22 20.179 3.962 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.184 5.039 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.379 2.970 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.886 2.030 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 22 22.154 3.233 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.606 3.841 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.396 0.885 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 22 22.978 1.560 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 22.336 1.167 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 21.589 2.685 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.677 1.266 7.509 1.00 0.00 H new ATOM 300 N GLY A 23 17.258 3.674 5.769 1.00 0.00 N ATOM 301 CA GLY A 23 16.647 3.881 7.069 1.00 0.00 C ATOM 302 C GLY A 23 15.714 5.075 7.088 1.00 0.00 C ATOM 303 O GLY A 23 15.622 5.785 8.088 1.00 0.00 O ATOM 0 H GLY A 23 17.401 2.697 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.093 2.986 7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.428 4.023 7.816 1.00 0.00 H new ATOM 307 N GLY A 24 15.019 5.299 5.976 1.00 0.00 N ATOM 308 CA GLY A 24 14.098 6.417 5.889 1.00 0.00 C ATOM 309 C GLY A 24 12.651 5.990 6.040 1.00 0.00 C ATOM 310 O GLY A 24 12.345 5.065 6.792 1.00 0.00 O ATOM 0 H GLY A 24 15.078 4.726 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.341 7.145 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.228 6.917 4.929 1.00 0.00 H new ATOM 314 N ARG A 25 11.759 6.666 5.323 1.00 0.00 N ATOM 315 CA ARG A 25 10.336 6.353 5.383 1.00 0.00 C ATOM 316 C ARG A 25 9.678 6.554 4.021 1.00 0.00 C ATOM 317 O ARG A 25 9.735 7.641 3.446 1.00 0.00 O ATOM 318 CB ARG A 25 9.644 7.227 6.430 1.00 0.00 C ATOM 319 CG ARG A 25 8.285 6.700 6.861 1.00 0.00 C ATOM 320 CD ARG A 25 7.504 7.745 7.644 1.00 0.00 C ATOM 321 NE ARG A 25 7.180 8.911 6.827 1.00 0.00 N ATOM 322 CZ ARG A 25 6.668 10.033 7.319 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.423 10.141 8.618 1.00 0.00 N ATOM 324 NH2 ARG A 25 6.400 11.052 6.511 1.00 0.00 N ATOM 0 H ARG A 25 11.996 7.433 4.694 1.00 0.00 H new ATOM 0 HA ARG A 25 10.231 5.306 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.287 7.308 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.524 8.233 6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.714 6.401 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.417 5.808 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.584 7.301 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.087 8.060 8.510 1.00 0.00 H new ATOM 0 HE ARG A 25 7.357 8.861 5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.628 9.361 9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.030 11.004 8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.587 10.973 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.007 11.913 6.890 1.00 0.00 H new ATOM 338 N VAL A 26 9.053 5.498 3.510 1.00 0.00 N ATOM 339 CA VAL A 26 8.383 5.558 2.217 1.00 0.00 C ATOM 340 C VAL A 26 6.911 5.922 2.376 1.00 0.00 C ATOM 341 O VAL A 26 6.373 5.904 3.484 1.00 0.00 O ATOM 342 CB VAL A 26 8.490 4.217 1.466 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.945 3.885 1.171 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.833 3.104 2.269 1.00 0.00 C ATOM 0 H VAL A 26 8.997 4.590 3.972 1.00 0.00 H new ATOM 0 HA VAL A 26 8.885 6.332 1.637 1.00 0.00 H new ATOM 0 HB VAL A 26 7.963 4.309 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.001 2.935 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.380 4.671 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.498 3.811 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.917 2.164 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.330 3.010 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.780 3.340 2.424 1.00 0.00 H new ATOM 354 N ARG A 27 6.265 6.252 1.263 1.00 0.00 N ATOM 355 CA ARG A 27 4.855 6.621 1.279 1.00 0.00 C ATOM 356 C ARG A 27 4.059 5.770 0.294 1.00 0.00 C ATOM 357 O ARG A 27 4.429 5.643 -0.873 1.00 0.00 O ATOM 358 CB ARG A 27 4.690 8.103 0.939 1.00 0.00 C ATOM 359 CG ARG A 27 3.271 8.616 1.124 1.00 0.00 C ATOM 360 CD ARG A 27 3.123 10.042 0.615 1.00 0.00 C ATOM 361 NE ARG A 27 3.341 10.134 -0.826 1.00 0.00 N ATOM 362 CZ ARG A 27 3.521 11.282 -1.470 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.510 12.428 -0.804 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.712 11.284 -2.783 1.00 0.00 N ATOM 0 H ARG A 27 6.696 6.271 0.339 1.00 0.00 H new ATOM 0 HA ARG A 27 4.469 6.441 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.363 8.688 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.994 8.266 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.576 7.965 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.003 8.576 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.126 10.411 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.834 10.687 1.131 1.00 0.00 H new ATOM 0 HE ARG A 27 3.356 9.270 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.363 12.430 0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.648 13.308 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.721 10.404 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.850 12.166 -3.277 1.00 0.00 H new ATOM 378 N PHE A 28 2.963 5.189 0.772 1.00 0.00 N ATOM 379 CA PHE A 28 2.115 4.349 -0.066 1.00 0.00 C ATOM 380 C PHE A 28 0.640 4.594 0.235 1.00 0.00 C ATOM 381 O PHE A 28 0.132 4.189 1.280 1.00 0.00 O ATOM 382 CB PHE A 28 2.453 2.872 0.149 1.00 0.00 C ATOM 383 CG PHE A 28 3.807 2.485 -0.373 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.080 2.532 -1.730 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.806 2.072 0.494 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.325 2.176 -2.214 1.00 0.00 C ATOM 387 CE2 PHE A 28 6.053 1.716 0.017 1.00 0.00 C ATOM 388 CZ PHE A 28 6.313 1.767 -1.339 1.00 0.00 C ATOM 0 H PHE A 28 2.641 5.285 1.735 1.00 0.00 H new ATOM 0 HA PHE A 28 2.303 4.610 -1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.406 2.648 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.695 2.259 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.311 2.851 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.608 2.028 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.525 2.218 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.824 1.398 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.286 1.488 -1.714 1.00 0.00 H new ATOM 398 N VAL A 29 -0.044 5.262 -0.690 1.00 0.00 N ATOM 399 CA VAL A 29 -1.461 5.562 -0.525 1.00 0.00 C ATOM 400 C VAL A 29 -2.240 5.247 -1.797 1.00 0.00 C ATOM 401 O VAL A 29 -1.720 5.375 -2.905 1.00 0.00 O ATOM 402 CB VAL A 29 -1.682 7.040 -0.153 1.00 0.00 C ATOM 403 CG1 VAL A 29 -1.020 7.953 -1.174 1.00 0.00 C ATOM 404 CG2 VAL A 29 -3.169 7.343 -0.039 1.00 0.00 C ATOM 0 H VAL A 29 0.361 5.605 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.826 4.933 0.287 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.221 7.226 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.187 8.993 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.051 7.752 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.449 7.769 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.308 8.392 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.656 7.141 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.610 6.713 0.734 1.00 0.00 H new ATOM 414 N VAL A 30 -3.493 4.834 -1.630 1.00 0.00 N ATOM 415 CA VAL A 30 -4.346 4.502 -2.764 1.00 0.00 C ATOM 416 C VAL A 30 -5.787 4.932 -2.513 1.00 0.00 C ATOM 417 O VAL A 30 -6.252 4.942 -1.374 1.00 0.00 O ATOM 418 CB VAL A 30 -4.318 2.991 -3.064 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.930 2.561 -3.514 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.762 2.198 -1.845 1.00 0.00 C ATOM 0 H VAL A 30 -3.939 4.722 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.953 5.044 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.016 2.786 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.930 1.491 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.655 3.106 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.209 2.778 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.736 1.133 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.091 2.406 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.778 2.486 -1.574 1.00 0.00 H new ATOM 430 N GLU A 31 -6.488 5.287 -3.585 1.00 0.00 N ATOM 431 CA GLU A 31 -7.877 5.719 -3.480 1.00 0.00 C ATOM 432 C GLU A 31 -8.829 4.591 -3.870 1.00 0.00 C ATOM 433 O GLU A 31 -8.458 3.679 -4.609 1.00 0.00 O ATOM 434 CB GLU A 31 -8.123 6.940 -4.369 1.00 0.00 C ATOM 435 CG GLU A 31 -7.880 8.264 -3.665 1.00 0.00 C ATOM 436 CD GLU A 31 -6.414 8.649 -3.637 1.00 0.00 C ATOM 437 OE1 GLU A 31 -5.583 7.792 -3.271 1.00 0.00 O ATOM 438 OE2 GLU A 31 -6.098 9.807 -3.980 1.00 0.00 O ATOM 0 H GLU A 31 -6.117 5.284 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.069 5.990 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.475 6.879 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.151 6.914 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.448 9.048 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.255 8.202 -2.643 1.00 0.00 H new ATOM 445 N LEU A 32 -10.056 4.661 -3.367 1.00 0.00 N ATOM 446 CA LEU A 32 -11.062 3.647 -3.662 1.00 0.00 C ATOM 447 C LEU A 32 -12.341 4.286 -4.194 1.00 0.00 C ATOM 448 O LEU A 32 -12.908 5.179 -3.565 1.00 0.00 O ATOM 449 CB LEU A 32 -11.372 2.828 -2.408 1.00 0.00 C ATOM 450 CG LEU A 32 -10.163 2.343 -1.607 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.551 2.080 -0.160 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.572 1.092 -2.239 1.00 0.00 C ATOM 0 H LEU A 32 -10.378 5.409 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.661 2.986 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.000 3.430 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.960 1.959 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.405 3.126 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.678 1.736 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.926 3.000 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.328 1.316 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.713 0.761 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.324 0.303 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.255 1.314 -3.258 1.00 0.00 H new ATOM 464 N ALA A 33 -12.790 3.821 -5.355 1.00 0.00 N ATOM 465 CA ALA A 33 -14.004 4.345 -5.970 1.00 0.00 C ATOM 466 C ALA A 33 -15.169 4.324 -4.987 1.00 0.00 C ATOM 467 O ALA A 33 -16.099 5.124 -5.095 1.00 0.00 O ATOM 468 CB ALA A 33 -14.350 3.547 -7.218 1.00 0.00 C ATOM 0 H ALA A 33 -12.332 3.083 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.820 5.381 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.258 3.949 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.530 3.617 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.510 2.503 -6.950 1.00 0.00 H new ATOM 474 N ASP A 34 -15.113 3.406 -4.029 1.00 0.00 N ATOM 475 CA ASP A 34 -16.165 3.281 -3.026 1.00 0.00 C ATOM 476 C ASP A 34 -15.599 2.765 -1.707 1.00 0.00 C ATOM 477 O ASP A 34 -14.693 1.933 -1.675 1.00 0.00 O ATOM 478 CB ASP A 34 -17.266 2.344 -3.524 1.00 0.00 C ATOM 479 CG ASP A 34 -18.135 2.987 -4.588 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.520 4.162 -4.411 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.430 2.314 -5.598 1.00 0.00 O ATOM 0 H ASP A 34 -14.350 2.737 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.590 4.270 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.813 1.438 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.890 2.042 -2.683 1.00 0.00 H new ATOM 486 N PRO A 35 -16.145 3.271 -0.591 1.00 0.00 N ATOM 487 CA PRO A 35 -15.709 2.875 0.752 1.00 0.00 C ATOM 488 C PRO A 35 -16.104 1.442 1.091 1.00 0.00 C ATOM 489 O PRO A 35 -15.530 0.824 1.988 1.00 0.00 O ATOM 490 CB PRO A 35 -16.440 3.862 1.667 1.00 0.00 C ATOM 491 CG PRO A 35 -17.643 4.277 0.892 1.00 0.00 C ATOM 492 CD PRO A 35 -17.229 4.267 -0.553 1.00 0.00 C ATOM 0 HA PRO A 35 -14.624 2.902 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.719 3.394 2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.810 4.718 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.474 3.592 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.979 5.269 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.056 3.986 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.884 5.248 -0.879 1.00 0.00 H new ATOM 500 N LYS A 36 -17.088 0.917 0.368 1.00 0.00 N ATOM 501 CA LYS A 36 -17.559 -0.444 0.590 1.00 0.00 C ATOM 502 C LYS A 36 -16.452 -1.456 0.309 1.00 0.00 C ATOM 503 O LYS A 36 -16.380 -2.506 0.949 1.00 0.00 O ATOM 504 CB LYS A 36 -18.770 -0.738 -0.298 1.00 0.00 C ATOM 505 CG LYS A 36 -19.070 -2.220 -0.448 1.00 0.00 C ATOM 506 CD LYS A 36 -19.410 -2.857 0.889 1.00 0.00 C ATOM 507 CE LYS A 36 -19.001 -4.322 0.928 1.00 0.00 C ATOM 508 NZ LYS A 36 -19.944 -5.182 0.162 1.00 0.00 N ATOM 0 H LYS A 36 -17.575 1.415 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.852 -0.534 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.645 -0.239 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.599 -0.309 -1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.902 -2.356 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.208 -2.725 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.906 -2.316 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.481 -2.772 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.997 -4.430 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.961 -4.660 1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.630 -6.172 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.898 -5.099 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.964 -4.876 -0.832 1.00 0.00 H new ATOM 522 N LEU A 37 -15.591 -1.133 -0.650 1.00 0.00 N ATOM 523 CA LEU A 37 -14.486 -2.013 -1.014 1.00 0.00 C ATOM 524 C LEU A 37 -13.449 -2.075 0.102 1.00 0.00 C ATOM 525 O LEU A 37 -13.059 -1.049 0.658 1.00 0.00 O ATOM 526 CB LEU A 37 -13.830 -1.531 -2.309 1.00 0.00 C ATOM 527 CG LEU A 37 -14.735 -1.477 -3.540 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.043 -0.744 -4.680 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.135 -2.881 -3.971 1.00 0.00 C ATOM 0 H LEU A 37 -15.637 -0.268 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.887 -3.015 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.424 -0.534 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.987 -2.185 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.639 -0.928 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.702 -0.716 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.809 0.274 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.122 -1.265 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.779 -2.823 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.241 -3.455 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.672 -3.372 -3.159 1.00 0.00 H new ATOM 541 N GLU A 38 -13.005 -3.286 0.424 1.00 0.00 N ATOM 542 CA GLU A 38 -12.012 -3.482 1.473 1.00 0.00 C ATOM 543 C GLU A 38 -10.598 -3.318 0.921 1.00 0.00 C ATOM 544 O GLU A 38 -10.395 -3.274 -0.292 1.00 0.00 O ATOM 545 CB GLU A 38 -12.168 -4.867 2.103 1.00 0.00 C ATOM 546 CG GLU A 38 -11.740 -6.003 1.189 1.00 0.00 C ATOM 547 CD GLU A 38 -12.868 -6.497 0.304 1.00 0.00 C ATOM 548 OE1 GLU A 38 -14.043 -6.330 0.692 1.00 0.00 O ATOM 549 OE2 GLU A 38 -12.575 -7.051 -0.776 1.00 0.00 O ATOM 0 H GLU A 38 -13.318 -4.146 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.175 -2.723 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.580 -4.908 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.210 -5.013 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.912 -5.669 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.369 -6.830 1.794 1.00 0.00 H new ATOM 556 N VAL A 39 -9.625 -3.227 1.822 1.00 0.00 N ATOM 557 CA VAL A 39 -8.230 -3.069 1.427 1.00 0.00 C ATOM 558 C VAL A 39 -7.320 -3.977 2.247 1.00 0.00 C ATOM 559 O VAL A 39 -7.510 -4.140 3.452 1.00 0.00 O ATOM 560 CB VAL A 39 -7.763 -1.611 1.589 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.455 -0.712 0.575 1.00 0.00 C ATOM 562 CG2 VAL A 39 -8.019 -1.124 3.007 1.00 0.00 C ATOM 0 H VAL A 39 -9.777 -3.260 2.830 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.165 -3.349 0.376 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.690 -1.569 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.112 0.314 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.216 -1.049 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.534 -0.756 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.683 -0.092 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.086 -1.180 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.472 -1.751 3.711 1.00 0.00 H new ATOM 572 N LYS A 40 -6.330 -4.566 1.585 1.00 0.00 N ATOM 573 CA LYS A 40 -5.387 -5.457 2.252 1.00 0.00 C ATOM 574 C LYS A 40 -3.985 -5.298 1.672 1.00 0.00 C ATOM 575 O LYS A 40 -3.781 -5.450 0.468 1.00 0.00 O ATOM 576 CB LYS A 40 -5.845 -6.911 2.116 1.00 0.00 C ATOM 577 CG LYS A 40 -7.166 -7.200 2.808 1.00 0.00 C ATOM 578 CD LYS A 40 -7.736 -8.542 2.383 1.00 0.00 C ATOM 579 CE LYS A 40 -8.737 -9.070 3.399 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.949 -10.537 3.258 1.00 0.00 N ATOM 0 H LYS A 40 -6.160 -4.443 0.587 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.357 -5.189 3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.937 -7.157 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.077 -7.565 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.021 -7.191 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.880 -6.410 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.221 -8.441 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.926 -9.261 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.383 -8.849 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.688 -8.552 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.638 -10.858 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.311 -10.745 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.047 -11.034 3.402 1.00 0.00 H new ATOM 594 N TRP A 41 -3.024 -4.992 2.536 1.00 0.00 N ATOM 595 CA TRP A 41 -1.641 -4.814 2.109 1.00 0.00 C ATOM 596 C TRP A 41 -0.857 -6.115 2.247 1.00 0.00 C ATOM 597 O TRP A 41 -1.047 -6.867 3.203 1.00 0.00 O ATOM 598 CB TRP A 41 -0.970 -3.711 2.929 1.00 0.00 C ATOM 599 CG TRP A 41 -1.615 -2.369 2.759 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.820 -1.969 3.262 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.089 -1.251 2.035 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.076 -0.670 2.893 1.00 0.00 N ATOM 603 CE2 TRP A 41 -2.029 -0.207 2.141 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.084 -1.030 1.309 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.829 1.036 1.547 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.281 0.204 0.720 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.671 1.225 0.842 1.00 0.00 C ATOM 0 H TRP A 41 -3.177 -4.862 3.536 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.646 -4.524 1.058 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.994 -3.987 3.983 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.079 -3.641 2.641 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.475 -2.583 3.862 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.910 -0.137 3.139 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.824 -1.810 1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.562 1.824 1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.184 0.385 0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.488 2.179 0.371 1.00 0.00 H new ATOM 618 N TYR A 42 0.023 -6.374 1.286 1.00 0.00 N ATOM 619 CA TYR A 42 0.834 -7.586 1.300 1.00 0.00 C ATOM 620 C TYR A 42 2.261 -7.291 0.849 1.00 0.00 C ATOM 621 O TYR A 42 2.498 -6.389 0.046 1.00 0.00 O ATOM 622 CB TYR A 42 0.211 -8.651 0.396 1.00 0.00 C ATOM 623 CG TYR A 42 -1.162 -9.098 0.843 1.00 0.00 C ATOM 624 CD1 TYR A 42 -1.316 -10.160 1.726 1.00 0.00 C ATOM 625 CD2 TYR A 42 -2.307 -8.458 0.383 1.00 0.00 C ATOM 626 CE1 TYR A 42 -2.569 -10.572 2.137 1.00 0.00 C ATOM 627 CE2 TYR A 42 -3.563 -8.862 0.790 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.689 -9.920 1.667 1.00 0.00 C ATOM 629 OH TYR A 42 -4.939 -10.326 2.073 1.00 0.00 O ATOM 0 H TYR A 42 0.193 -5.762 0.488 1.00 0.00 H new ATOM 0 HA TYR A 42 0.866 -7.961 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.144 -8.260 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.872 -9.517 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.441 -10.672 2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.213 -7.631 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.670 -11.400 2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.442 -8.353 0.424 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.883 -10.703 2.976 1.00 0.00 H new ATOM 639 N LYS A 43 3.210 -8.060 1.371 1.00 0.00 N ATOM 640 CA LYS A 43 4.615 -7.886 1.023 1.00 0.00 C ATOM 641 C LYS A 43 5.217 -9.193 0.517 1.00 0.00 C ATOM 642 O LYS A 43 5.530 -10.087 1.301 1.00 0.00 O ATOM 643 CB LYS A 43 5.404 -7.385 2.235 1.00 0.00 C ATOM 644 CG LYS A 43 6.902 -7.311 1.998 1.00 0.00 C ATOM 645 CD LYS A 43 7.679 -7.420 3.300 1.00 0.00 C ATOM 646 CE LYS A 43 9.072 -6.823 3.170 1.00 0.00 C ATOM 647 NZ LYS A 43 9.070 -5.354 3.413 1.00 0.00 N ATOM 0 H LYS A 43 3.031 -8.811 2.038 1.00 0.00 H new ATOM 0 HA LYS A 43 4.676 -7.146 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.039 -6.396 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.211 -8.044 3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.205 -8.113 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.147 -6.371 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.135 -6.907 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.757 -8.467 3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.743 -7.308 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.463 -7.026 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.037 -4.985 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.450 -4.888 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.721 -5.162 4.374 1.00 0.00 H new ATOM 661 N ASN A 44 5.377 -9.294 -0.798 1.00 0.00 N ATOM 662 CA ASN A 44 5.943 -10.492 -1.409 1.00 0.00 C ATOM 663 C ASN A 44 5.075 -11.713 -1.117 1.00 0.00 C ATOM 664 O ASN A 44 5.577 -12.830 -0.997 1.00 0.00 O ATOM 665 CB ASN A 44 7.365 -10.729 -0.895 1.00 0.00 C ATOM 666 CG ASN A 44 8.392 -9.890 -1.631 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.105 -8.773 -2.060 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.597 -10.428 -1.780 1.00 0.00 N ATOM 0 H ASN A 44 5.123 -8.562 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 44 5.974 -10.339 -2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.407 -10.499 0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.617 -11.784 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.330 -9.911 -2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.790 -11.358 -1.408 1.00 0.00 H new ATOM 675 N GLY A 45 3.769 -11.491 -1.006 1.00 0.00 N ATOM 676 CA GLY A 45 2.852 -12.581 -0.730 1.00 0.00 C ATOM 677 C GLY A 45 2.674 -12.827 0.755 1.00 0.00 C ATOM 678 O GLY A 45 2.348 -13.939 1.171 1.00 0.00 O ATOM 0 H GLY A 45 3.330 -10.576 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.883 -12.359 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.220 -13.491 -1.204 1.00 0.00 H new ATOM 682 N GLN A 46 2.889 -11.789 1.555 1.00 0.00 N ATOM 683 CA GLN A 46 2.753 -11.899 3.003 1.00 0.00 C ATOM 684 C GLN A 46 1.809 -10.830 3.544 1.00 0.00 C ATOM 685 O GLN A 46 1.958 -9.647 3.240 1.00 0.00 O ATOM 686 CB GLN A 46 4.121 -11.777 3.676 1.00 0.00 C ATOM 687 CG GLN A 46 4.046 -11.668 5.191 1.00 0.00 C ATOM 688 CD GLN A 46 4.094 -13.020 5.876 1.00 0.00 C ATOM 689 OE1 GLN A 46 3.070 -13.541 6.319 1.00 0.00 O ATOM 690 NE2 GLN A 46 5.286 -13.597 5.965 1.00 0.00 N ATOM 0 H GLN A 46 3.158 -10.862 1.226 1.00 0.00 H new ATOM 0 HA GLN A 46 2.331 -12.878 3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.725 -12.645 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.634 -10.900 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.873 -11.054 5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.125 -11.156 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.109 -13.129 5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.379 -14.508 6.414 1.00 0.00 H new ATOM 699 N GLU A 47 0.838 -11.255 4.346 1.00 0.00 N ATOM 700 CA GLU A 47 -0.131 -10.333 4.927 1.00 0.00 C ATOM 701 C GLU A 47 0.545 -9.386 5.915 1.00 0.00 C ATOM 702 O GLU A 47 1.028 -9.810 6.965 1.00 0.00 O ATOM 703 CB GLU A 47 -1.248 -11.107 5.629 1.00 0.00 C ATOM 704 CG GLU A 47 -2.441 -10.246 6.007 1.00 0.00 C ATOM 705 CD GLU A 47 -3.603 -11.060 6.541 1.00 0.00 C ATOM 706 OE1 GLU A 47 -4.414 -11.545 5.724 1.00 0.00 O ATOM 707 OE2 GLU A 47 -3.702 -11.213 7.777 1.00 0.00 O ATOM 0 H GLU A 47 0.701 -12.231 4.608 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.562 -9.742 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.585 -11.913 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.846 -11.572 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.136 -9.519 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.768 -9.682 5.134 1.00 0.00 H new ATOM 714 N ILE A 48 0.575 -8.103 5.570 1.00 0.00 N ATOM 715 CA ILE A 48 1.190 -7.097 6.426 1.00 0.00 C ATOM 716 C ILE A 48 0.306 -6.782 7.628 1.00 0.00 C ATOM 717 O ILE A 48 -0.920 -6.863 7.548 1.00 0.00 O ATOM 718 CB ILE A 48 1.468 -5.794 5.653 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.313 -6.083 4.410 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.166 -4.783 6.551 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.408 -4.912 3.458 1.00 0.00 C ATOM 0 H ILE A 48 0.181 -7.736 4.704 1.00 0.00 H new ATOM 0 HA ILE A 48 2.136 -7.514 6.773 1.00 0.00 H new ATOM 0 HB ILE A 48 0.517 -5.370 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.317 -6.369 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.888 -6.936 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.355 -3.868 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.531 -4.558 7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.112 -5.198 6.899 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.022 -5.189 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.410 -4.639 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.861 -4.063 3.970 1.00 0.00 H new ATOM 733 N ARG A 49 0.937 -6.422 8.741 1.00 0.00 N ATOM 734 CA ARG A 49 0.208 -6.095 9.960 1.00 0.00 C ATOM 735 C ARG A 49 0.540 -4.681 10.430 1.00 0.00 C ATOM 736 O ARG A 49 1.653 -4.187 10.251 1.00 0.00 O ATOM 737 CB ARG A 49 0.539 -7.101 11.064 1.00 0.00 C ATOM 738 CG ARG A 49 2.012 -7.133 11.437 1.00 0.00 C ATOM 739 CD ARG A 49 2.778 -8.143 10.596 1.00 0.00 C ATOM 740 NE ARG A 49 2.432 -9.518 10.943 1.00 0.00 N ATOM 741 CZ ARG A 49 2.840 -10.120 12.055 1.00 0.00 C ATOM 742 NH1 ARG A 49 3.603 -9.470 12.923 1.00 0.00 N ATOM 743 NH2 ARG A 49 2.484 -11.375 12.301 1.00 0.00 N ATOM 0 H ARG A 49 1.951 -6.350 8.823 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.858 -6.146 9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.047 -6.860 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.233 -8.096 10.741 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.445 -6.142 11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.116 -7.384 12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.566 -7.971 9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.849 -7.993 10.735 1.00 0.00 H new ATOM 0 HE ARG A 49 1.845 -10.045 10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.878 -8.505 12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.915 -9.935 13.776 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.897 -11.878 11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.798 -11.836 13.155 1.00 0.00 H new ATOM 757 N PRO A 50 -0.448 -4.014 11.044 1.00 0.00 N ATOM 758 CA PRO A 50 -0.285 -2.648 11.552 1.00 0.00 C ATOM 759 C PRO A 50 0.642 -2.586 12.761 1.00 0.00 C ATOM 760 O PRO A 50 0.335 -3.135 13.819 1.00 0.00 O ATOM 761 CB PRO A 50 -1.707 -2.244 11.947 1.00 0.00 C ATOM 762 CG PRO A 50 -2.402 -3.531 12.229 1.00 0.00 C ATOM 763 CD PRO A 50 -1.801 -4.541 11.291 1.00 0.00 C ATOM 0 HA PRO A 50 0.169 -1.990 10.812 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.705 -1.595 12.823 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.200 -1.695 11.144 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.261 -3.831 13.267 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.476 -3.438 12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.770 -5.535 11.737 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.375 -4.624 10.368 1.00 0.00 H new ATOM 771 N SER A 51 1.777 -1.914 12.597 1.00 0.00 N ATOM 772 CA SER A 51 2.750 -1.784 13.676 1.00 0.00 C ATOM 773 C SER A 51 3.508 -0.464 13.566 1.00 0.00 C ATOM 774 O SER A 51 3.440 0.223 12.546 1.00 0.00 O ATOM 775 CB SER A 51 3.735 -2.954 13.647 1.00 0.00 C ATOM 776 OG SER A 51 3.114 -4.153 14.079 1.00 0.00 O ATOM 0 H SER A 51 2.045 -1.452 11.728 1.00 0.00 H new ATOM 0 HA SER A 51 2.210 -1.796 14.623 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.121 -3.084 12.636 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.588 -2.731 14.287 1.00 0.00 H new ATOM 0 HG SER A 51 2.156 -3.996 14.211 1.00 0.00 H new ATOM 782 N THR A 52 4.231 -0.114 14.626 1.00 0.00 N ATOM 783 CA THR A 52 5.001 1.123 14.651 1.00 0.00 C ATOM 784 C THR A 52 5.755 1.328 13.342 1.00 0.00 C ATOM 785 O THR A 52 5.964 2.459 12.904 1.00 0.00 O ATOM 786 CB THR A 52 6.008 1.134 15.817 1.00 0.00 C ATOM 787 OG1 THR A 52 6.705 -0.116 15.874 1.00 0.00 O ATOM 788 CG2 THR A 52 5.301 1.387 17.140 1.00 0.00 C ATOM 0 H THR A 52 4.299 -0.670 15.478 1.00 0.00 H new ATOM 0 HA THR A 52 4.288 1.936 14.788 1.00 0.00 H new ATOM 0 HB THR A 52 6.721 1.940 15.645 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.344 -0.100 16.617 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.032 1.390 17.948 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.796 2.352 17.104 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.568 0.600 17.317 1.00 0.00 H new ATOM 796 N LYS A 53 6.161 0.226 12.719 1.00 0.00 N ATOM 797 CA LYS A 53 6.890 0.284 11.458 1.00 0.00 C ATOM 798 C LYS A 53 5.956 0.634 10.305 1.00 0.00 C ATOM 799 O LYS A 53 6.322 1.389 9.404 1.00 0.00 O ATOM 800 CB LYS A 53 7.579 -1.054 11.182 1.00 0.00 C ATOM 801 CG LYS A 53 8.169 -1.158 9.786 1.00 0.00 C ATOM 802 CD LYS A 53 9.330 -2.138 9.742 1.00 0.00 C ATOM 803 CE LYS A 53 9.930 -2.228 8.348 1.00 0.00 C ATOM 804 NZ LYS A 53 8.955 -2.762 7.358 1.00 0.00 N ATOM 0 H LYS A 53 5.997 -0.718 13.068 1.00 0.00 H new ATOM 0 HA LYS A 53 7.646 1.065 11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.372 -1.202 11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.859 -1.860 11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.396 -1.477 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.509 -0.175 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.098 -1.826 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.988 -3.124 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.264 -1.240 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.811 -2.870 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.229 -2.458 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.949 -3.801 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.005 -2.401 7.577 1.00 0.00 H new ATOM 818 N TYR A 54 4.748 0.083 10.340 1.00 0.00 N ATOM 819 CA TYR A 54 3.761 0.336 9.297 1.00 0.00 C ATOM 820 C TYR A 54 2.668 1.275 9.797 1.00 0.00 C ATOM 821 O TYR A 54 1.900 0.929 10.695 1.00 0.00 O ATOM 822 CB TYR A 54 3.141 -0.979 8.821 1.00 0.00 C ATOM 823 CG TYR A 54 4.134 -1.918 8.175 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.613 -1.680 6.893 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.593 -3.044 8.847 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.520 -2.535 6.298 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.501 -3.905 8.261 1.00 0.00 C ATOM 828 CZ TYR A 54 5.961 -3.646 6.986 1.00 0.00 C ATOM 829 OH TYR A 54 6.865 -4.502 6.398 1.00 0.00 O ATOM 0 H TYR A 54 4.428 -0.542 11.080 1.00 0.00 H new ATOM 0 HA TYR A 54 4.270 0.814 8.460 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.678 -1.481 9.671 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.345 -0.759 8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.270 -0.811 6.352 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.234 -3.250 9.845 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.882 -2.335 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.849 -4.775 8.798 1.00 0.00 H new ATOM 0 HH TYR A 54 7.073 -5.233 7.016 1.00 0.00 H new ATOM 839 N ILE A 55 2.605 2.465 9.210 1.00 0.00 N ATOM 840 CA ILE A 55 1.605 3.454 9.594 1.00 0.00 C ATOM 841 C ILE A 55 0.366 3.355 8.711 1.00 0.00 C ATOM 842 O ILE A 55 0.372 3.798 7.562 1.00 0.00 O ATOM 843 CB ILE A 55 2.169 4.885 9.511 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.636 4.905 9.942 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.344 5.830 10.373 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.838 4.601 11.410 1.00 0.00 C ATOM 0 H ILE A 55 3.234 2.768 8.467 1.00 0.00 H new ATOM 0 HA ILE A 55 1.329 3.240 10.627 1.00 0.00 H new ATOM 0 HB ILE A 55 2.110 5.223 8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.191 4.178 9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.058 5.885 9.721 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.755 6.837 10.304 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.312 5.834 10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.374 5.496 11.410 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.902 4.632 11.645 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.312 5.343 12.011 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.446 3.609 11.633 1.00 0.00 H new ATOM 858 N PHE A 56 -0.697 2.773 9.256 1.00 0.00 N ATOM 859 CA PHE A 56 -1.945 2.617 8.518 1.00 0.00 C ATOM 860 C PHE A 56 -2.885 3.789 8.784 1.00 0.00 C ATOM 861 O PHE A 56 -3.347 3.985 9.908 1.00 0.00 O ATOM 862 CB PHE A 56 -2.629 1.303 8.904 1.00 0.00 C ATOM 863 CG PHE A 56 -1.988 0.092 8.289 1.00 0.00 C ATOM 864 CD1 PHE A 56 -0.876 -0.492 8.874 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.499 -0.464 7.127 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.284 -1.607 8.311 1.00 0.00 C ATOM 867 CE2 PHE A 56 -1.912 -1.579 6.561 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.802 -2.151 7.153 1.00 0.00 C ATOM 0 H PHE A 56 -0.719 2.402 10.206 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.709 2.598 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.615 1.200 9.989 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.675 1.344 8.601 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.467 -0.071 9.781 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.366 -0.021 6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.583 -2.052 8.777 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.320 -2.004 5.656 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.341 -3.022 6.711 1.00 0.00 H new ATOM 878 N GLU A 57 -3.161 4.567 7.742 1.00 0.00 N ATOM 879 CA GLU A 57 -4.044 5.721 7.863 1.00 0.00 C ATOM 880 C GLU A 57 -5.216 5.614 6.891 1.00 0.00 C ATOM 881 O GLU A 57 -5.073 5.096 5.783 1.00 0.00 O ATOM 882 CB GLU A 57 -3.269 7.014 7.604 1.00 0.00 C ATOM 883 CG GLU A 57 -2.607 7.587 8.846 1.00 0.00 C ATOM 884 CD GLU A 57 -3.604 8.212 9.802 1.00 0.00 C ATOM 885 OE1 GLU A 57 -4.628 8.745 9.326 1.00 0.00 O ATOM 886 OE2 GLU A 57 -3.361 8.168 11.026 1.00 0.00 O ATOM 0 H GLU A 57 -2.786 4.419 6.805 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.438 5.740 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.505 6.825 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.949 7.758 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.062 6.796 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.874 8.337 8.549 1.00 0.00 H new ATOM 940 N CYS A 61 -12.040 8.004 1.633 1.00 0.00 N ATOM 941 CA CYS A 61 -11.905 6.967 0.616 1.00 0.00 C ATOM 942 C CYS A 61 -10.458 6.847 0.150 1.00 0.00 C ATOM 943 O CYS A 61 -10.190 6.701 -1.042 1.00 0.00 O ATOM 944 CB CYS A 61 -12.814 7.271 -0.576 1.00 0.00 C ATOM 945 SG CYS A 61 -14.554 7.497 -0.138 1.00 0.00 S ATOM 0 HA CYS A 61 -12.205 6.017 1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.455 8.173 -1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.734 6.457 -1.297 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.242 7.752 -1.211 1.00 0.00 H new ATOM 951 N GLN A 62 -9.529 6.911 1.099 1.00 0.00 N ATOM 952 CA GLN A 62 -8.109 6.813 0.784 1.00 0.00 C ATOM 953 C GLN A 62 -7.355 6.087 1.894 1.00 0.00 C ATOM 954 O GLN A 62 -7.503 6.410 3.073 1.00 0.00 O ATOM 955 CB GLN A 62 -7.513 8.206 0.574 1.00 0.00 C ATOM 956 CG GLN A 62 -6.198 8.196 -0.189 1.00 0.00 C ATOM 957 CD GLN A 62 -5.466 9.521 -0.106 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.254 10.191 -1.117 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.075 9.907 1.103 1.00 0.00 N ATOM 0 H GLN A 62 -9.734 7.030 2.091 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.006 6.239 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.232 8.822 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.357 8.675 1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.559 7.407 0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.391 7.956 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.272 9.321 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.578 10.790 1.221 1.00 0.00 H new ATOM 968 N ARG A 63 -6.546 5.105 1.509 1.00 0.00 N ATOM 969 CA ARG A 63 -5.770 4.333 2.472 1.00 0.00 C ATOM 970 C ARG A 63 -4.277 4.600 2.305 1.00 0.00 C ATOM 971 O ARG A 63 -3.685 4.254 1.282 1.00 0.00 O ATOM 972 CB ARG A 63 -6.053 2.839 2.306 1.00 0.00 C ATOM 973 CG ARG A 63 -7.511 2.468 2.523 1.00 0.00 C ATOM 974 CD ARG A 63 -7.927 2.666 3.972 1.00 0.00 C ATOM 975 NE ARG A 63 -9.194 2.005 4.273 1.00 0.00 N ATOM 976 CZ ARG A 63 -10.381 2.518 3.971 1.00 0.00 C ATOM 977 NH1 ARG A 63 -10.463 3.693 3.361 1.00 0.00 N ATOM 978 NH2 ARG A 63 -11.489 1.856 4.277 1.00 0.00 N ATOM 0 H ARG A 63 -6.411 4.825 0.537 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.068 4.643 3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.753 2.530 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.436 2.280 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.143 3.077 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.669 1.428 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.150 2.276 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.016 3.732 4.181 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.166 1.099 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.613 4.204 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.376 4.085 3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.430 0.952 4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.400 2.251 4.044 1.00 0.00 H new ATOM 992 N ILE A 64 -3.675 5.216 3.317 1.00 0.00 N ATOM 993 CA ILE A 64 -2.251 5.528 3.283 1.00 0.00 C ATOM 994 C ILE A 64 -1.443 4.497 4.063 1.00 0.00 C ATOM 995 O ILE A 64 -1.961 3.843 4.969 1.00 0.00 O ATOM 996 CB ILE A 64 -1.968 6.929 3.858 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.708 7.996 3.049 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.472 7.205 3.867 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.099 9.209 3.863 1.00 0.00 C ATOM 0 H ILE A 64 -4.151 5.509 4.170 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.948 5.506 2.236 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.330 6.964 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.077 8.314 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.606 7.554 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.288 8.198 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.032 6.460 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.087 7.155 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.619 9.923 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.756 8.904 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.204 9.675 4.274 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.171 4.358 3.707 1.00 0.00 N ATOM 1012 CA LEU A 65 0.711 3.408 4.376 1.00 0.00 C ATOM 1013 C LEU A 65 2.159 3.885 4.332 1.00 0.00 C ATOM 1014 O LEU A 65 2.679 4.228 3.270 1.00 0.00 O ATOM 1015 CB LEU A 65 0.596 2.029 3.723 1.00 0.00 C ATOM 1016 CG LEU A 65 1.437 0.917 4.351 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.920 1.216 4.193 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.079 0.742 5.819 1.00 0.00 C ATOM 0 H LEU A 65 0.273 4.891 2.959 1.00 0.00 H new ATOM 0 HA LEU A 65 0.403 3.336 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.450 1.724 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.877 2.121 2.674 1.00 0.00 H new ATOM 0 HG LEU A 65 1.218 -0.016 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.503 0.414 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.165 1.290 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.156 2.159 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.687 -0.053 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.268 1.673 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.024 0.481 5.908 1.00 0.00 H new ATOM 1030 N PHE A 66 2.806 3.902 5.492 1.00 0.00 N ATOM 1031 CA PHE A 66 4.195 4.336 5.587 1.00 0.00 C ATOM 1032 C PHE A 66 5.070 3.234 6.178 1.00 0.00 C ATOM 1033 O PHE A 66 4.682 2.566 7.137 1.00 0.00 O ATOM 1034 CB PHE A 66 4.300 5.600 6.442 1.00 0.00 C ATOM 1035 CG PHE A 66 3.629 6.796 5.829 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.327 7.641 4.982 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.299 7.074 6.101 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.711 8.742 4.418 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.678 8.174 5.539 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.385 9.008 4.696 1.00 0.00 C ATOM 0 H PHE A 66 2.391 3.620 6.380 1.00 0.00 H new ATOM 0 HA PHE A 66 4.550 4.557 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.857 5.406 7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.352 5.830 6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.364 7.437 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.741 6.424 6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.266 9.394 3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.641 8.381 5.759 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.902 9.867 4.255 1.00 0.00 H new ATOM 1050 N ILE A 67 6.252 3.051 5.598 1.00 0.00 N ATOM 1051 CA ILE A 67 7.182 2.031 6.068 1.00 0.00 C ATOM 1052 C ILE A 67 8.488 2.656 6.546 1.00 0.00 C ATOM 1053 O ILE A 67 9.289 3.133 5.744 1.00 0.00 O ATOM 1054 CB ILE A 67 7.492 1.001 4.965 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.194 0.436 4.385 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.364 -0.117 5.514 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.390 -0.325 3.092 1.00 0.00 C ATOM 0 H ILE A 67 6.588 3.595 4.803 1.00 0.00 H new ATOM 0 HA ILE A 67 6.698 1.523 6.903 1.00 0.00 H new ATOM 0 HB ILE A 67 8.038 1.501 4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.735 -0.225 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.496 1.255 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.574 -0.837 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.301 0.300 5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.843 -0.617 6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.428 -0.697 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.820 0.338 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.063 -1.165 3.263 1.00 0.00 H new ATOM 1069 N ASN A 68 8.696 2.648 7.858 1.00 0.00 N ATOM 1070 CA ASN A 68 9.906 3.213 8.444 1.00 0.00 C ATOM 1071 C ASN A 68 11.044 2.198 8.427 1.00 0.00 C ATOM 1072 O ASN A 68 10.819 1.001 8.254 1.00 0.00 O ATOM 1073 CB ASN A 68 9.637 3.671 9.879 1.00 0.00 C ATOM 1074 CG ASN A 68 8.470 4.635 9.969 1.00 0.00 C ATOM 1075 OD1 ASN A 68 8.621 5.834 9.734 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.297 4.114 10.311 1.00 0.00 N ATOM 0 H ASN A 68 8.042 2.256 8.536 1.00 0.00 H new ATOM 0 HA ASN A 68 10.202 4.074 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.435 2.801 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.531 4.149 10.279 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.476 4.714 10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.218 3.114 10.497 1.00 0.00 H new ATOM 1083 N ASN A 69 12.267 2.685 8.610 1.00 0.00 N ATOM 1084 CA ASN A 69 13.441 1.820 8.616 1.00 0.00 C ATOM 1085 C ASN A 69 13.622 1.138 7.263 1.00 0.00 C ATOM 1086 O ASN A 69 13.854 -0.069 7.190 1.00 0.00 O ATOM 1087 CB ASN A 69 13.318 0.765 9.718 1.00 0.00 C ATOM 1088 CG ASN A 69 13.777 1.283 11.067 1.00 0.00 C ATOM 1089 OD1 ASN A 69 14.323 2.381 11.170 1.00 0.00 O ATOM 1090 ND2 ASN A 69 13.556 0.492 12.110 1.00 0.00 N ATOM 0 H ASN A 69 12.471 3.674 8.756 1.00 0.00 H new ATOM 0 HA ASN A 69 14.316 2.440 8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.281 0.439 9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.909 -0.110 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.842 0.787 13.043 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.100 -0.411 11.978 1.00 0.00 H new ATOM 1097 N CYS A 70 13.514 1.920 6.194 1.00 0.00 N ATOM 1098 CA CYS A 70 13.666 1.393 4.843 1.00 0.00 C ATOM 1099 C CYS A 70 15.086 0.888 4.612 1.00 0.00 C ATOM 1100 O CYS A 70 16.001 1.674 4.365 1.00 0.00 O ATOM 1101 CB CYS A 70 13.319 2.468 3.811 1.00 0.00 C ATOM 1102 SG CYS A 70 11.612 3.056 3.903 1.00 0.00 S ATOM 0 H CYS A 70 13.322 2.921 6.237 1.00 0.00 H new ATOM 0 HA CYS A 70 12.979 0.554 4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.992 3.315 3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.502 2.070 2.813 1.00 0.00 H new ATOM 0 HG CYS A 70 11.130 2.806 5.084 1.00 0.00 H new ATOM 1108 N GLN A 71 15.263 -0.427 4.696 1.00 0.00 N ATOM 1109 CA GLN A 71 16.573 -1.035 4.498 1.00 0.00 C ATOM 1110 C GLN A 71 16.664 -1.699 3.128 1.00 0.00 C ATOM 1111 O GLN A 71 15.647 -2.004 2.507 1.00 0.00 O ATOM 1112 CB GLN A 71 16.852 -2.063 5.596 1.00 0.00 C ATOM 1113 CG GLN A 71 18.327 -2.202 5.939 1.00 0.00 C ATOM 1114 CD GLN A 71 18.758 -1.269 7.053 1.00 0.00 C ATOM 1115 OE1 GLN A 71 18.827 0.022 6.751 1.00 0.00 O flip ATOM 1116 NE2 GLN A 71 19.025 -1.704 8.174 1.00 0.00 N flip ATOM 0 H GLN A 71 14.516 -1.091 4.900 1.00 0.00 H new ATOM 0 HA GLN A 71 17.323 -0.246 4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.304 -1.780 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.468 -3.033 5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.532 -3.231 6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.924 -1.999 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.958 -2.704 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.313 -1.064 8.914 1.00 0.00 H new ATOM 1168 N ASP A 75 13.374 -3.506 0.718 1.00 0.00 N ATOM 1169 CA ASP A 75 12.933 -3.322 -0.660 1.00 0.00 C ATOM 1170 C ASP A 75 12.192 -4.557 -1.162 1.00 0.00 C ATOM 1171 O ASP A 75 12.807 -5.514 -1.633 1.00 0.00 O ATOM 1172 CB ASP A 75 14.130 -3.027 -1.565 1.00 0.00 C ATOM 1173 CG ASP A 75 13.918 -3.518 -2.984 1.00 0.00 C ATOM 1174 OD1 ASP A 75 12.783 -3.399 -3.489 1.00 0.00 O ATOM 1175 OD2 ASP A 75 14.888 -4.023 -3.588 1.00 0.00 O ATOM 0 HA ASP A 75 12.249 -2.474 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.315 -1.953 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.021 -3.499 -1.150 1.00 0.00 H new ATOM 1180 N SER A 76 10.867 -4.529 -1.058 1.00 0.00 N ATOM 1181 CA SER A 76 10.042 -5.648 -1.498 1.00 0.00 C ATOM 1182 C SER A 76 8.881 -5.162 -2.360 1.00 0.00 C ATOM 1183 O SER A 76 8.524 -3.985 -2.330 1.00 0.00 O ATOM 1184 CB SER A 76 9.507 -6.420 -0.290 1.00 0.00 C ATOM 1185 OG SER A 76 10.433 -7.404 0.137 1.00 0.00 O ATOM 0 H SER A 76 10.342 -3.744 -0.673 1.00 0.00 H new ATOM 0 HA SER A 76 10.664 -6.312 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.304 -5.728 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.560 -6.895 -0.548 1.00 0.00 H new ATOM 0 HG SER A 76 9.948 -8.190 0.464 1.00 0.00 H new ATOM 1191 N GLU A 77 8.297 -6.078 -3.127 1.00 0.00 N ATOM 1192 CA GLU A 77 7.177 -5.742 -3.998 1.00 0.00 C ATOM 1193 C GLU A 77 5.875 -5.671 -3.206 1.00 0.00 C ATOM 1194 O GLU A 77 5.345 -6.693 -2.769 1.00 0.00 O ATOM 1195 CB GLU A 77 7.049 -6.773 -5.121 1.00 0.00 C ATOM 1196 CG GLU A 77 6.458 -6.208 -6.402 1.00 0.00 C ATOM 1197 CD GLU A 77 6.680 -7.115 -7.596 1.00 0.00 C ATOM 1198 OE1 GLU A 77 6.071 -8.204 -7.636 1.00 0.00 O ATOM 1199 OE2 GLU A 77 7.463 -6.735 -8.492 1.00 0.00 O ATOM 0 H GLU A 77 8.581 -7.057 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 77 7.370 -4.762 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.034 -7.187 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.425 -7.598 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.388 -6.049 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.902 -5.233 -6.603 1.00 0.00 H new ATOM 1206 N TYR A 78 5.365 -4.458 -3.026 1.00 0.00 N ATOM 1207 CA TYR A 78 4.126 -4.252 -2.285 1.00 0.00 C ATOM 1208 C TYR A 78 2.925 -4.235 -3.225 1.00 0.00 C ATOM 1209 O TYR A 78 2.966 -3.623 -4.293 1.00 0.00 O ATOM 1210 CB TYR A 78 4.190 -2.942 -1.497 1.00 0.00 C ATOM 1211 CG TYR A 78 5.409 -2.827 -0.610 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.589 -2.271 -1.088 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.381 -3.277 0.704 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.706 -2.164 -0.281 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.493 -3.173 1.518 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.653 -2.617 1.021 1.00 0.00 C ATOM 1217 OH TYR A 78 8.762 -2.513 1.828 1.00 0.00 O ATOM 0 H TYR A 78 5.790 -3.602 -3.383 1.00 0.00 H new ATOM 0 HA TYR A 78 4.007 -5.082 -1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.180 -2.106 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.294 -2.854 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.634 -1.916 -2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.475 -3.715 1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.615 -1.728 -0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.454 -3.525 2.538 1.00 0.00 H new ATOM 0 HH TYR A 78 8.557 -2.877 2.714 1.00 0.00 H new ATOM 1227 N TYR A 79 1.855 -4.911 -2.820 1.00 0.00 N ATOM 1228 CA TYR A 79 0.642 -4.976 -3.626 1.00 0.00 C ATOM 1229 C TYR A 79 -0.600 -4.983 -2.741 1.00 0.00 C ATOM 1230 O TYR A 79 -0.664 -5.707 -1.747 1.00 0.00 O ATOM 1231 CB TYR A 79 0.659 -6.223 -4.511 1.00 0.00 C ATOM 1232 CG TYR A 79 0.271 -7.489 -3.781 1.00 0.00 C ATOM 1233 CD1 TYR A 79 -1.061 -7.872 -3.673 1.00 0.00 C ATOM 1234 CD2 TYR A 79 1.235 -8.301 -3.197 1.00 0.00 C ATOM 1235 CE1 TYR A 79 -1.420 -9.027 -3.006 1.00 0.00 C ATOM 1236 CE2 TYR A 79 0.885 -9.459 -2.529 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.444 -9.818 -2.437 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.797 -10.969 -1.771 1.00 0.00 O ATOM 0 H TYR A 79 1.803 -5.421 -1.938 1.00 0.00 H new ATOM 0 HA TYR A 79 0.609 -4.090 -4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.022 -6.073 -5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.657 -6.347 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.828 -7.256 -4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.276 -8.022 -3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.460 -9.309 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 79 1.647 -10.079 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.016 -10.754 -0.840 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.587 -4.173 -3.110 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.829 -4.086 -2.352 1.00 0.00 C ATOM 1250 C VAL A 80 -4.006 -4.618 -3.162 1.00 0.00 C ATOM 1251 O VAL A 80 -4.014 -4.542 -4.391 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.127 -2.636 -1.927 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.339 -1.754 -3.148 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.339 -2.588 -1.008 1.00 0.00 C ATOM 0 H VAL A 80 -1.550 -3.567 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.699 -4.699 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.267 -2.254 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.548 -0.733 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.440 -1.764 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.181 -2.132 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.535 -1.556 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.208 -2.989 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.144 -3.185 -0.117 1.00 0.00 H new ATOM 1264 N THR A 81 -5.001 -5.159 -2.465 1.00 0.00 N ATOM 1265 CA THR A 81 -6.183 -5.705 -3.119 1.00 0.00 C ATOM 1266 C THR A 81 -7.450 -5.010 -2.634 1.00 0.00 C ATOM 1267 O THR A 81 -7.612 -4.755 -1.441 1.00 0.00 O ATOM 1268 CB THR A 81 -6.314 -7.219 -2.869 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.577 -7.466 -1.483 1.00 0.00 O ATOM 1270 CG2 THR A 81 -5.047 -7.949 -3.288 1.00 0.00 C ATOM 0 H THR A 81 -5.011 -5.230 -1.448 1.00 0.00 H new ATOM 0 HA THR A 81 -6.062 -5.530 -4.188 1.00 0.00 H new ATOM 0 HB THR A 81 -7.144 -7.593 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.661 -8.431 -1.333 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.164 -9.017 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.866 -7.784 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.202 -7.571 -2.713 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.347 -4.706 -3.567 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.601 -4.043 -3.233 1.00 0.00 C ATOM 1280 C ALA A 82 -10.717 -4.468 -4.182 1.00 0.00 C ATOM 1281 O ALA A 82 -10.695 -4.141 -5.368 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.425 -2.532 -3.267 1.00 0.00 C ATOM 0 H ALA A 82 -8.228 -4.908 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.883 -4.343 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.370 -2.050 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.664 -2.238 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.115 -2.224 -4.266 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.691 -5.201 -3.652 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.801 -5.660 -4.467 1.00 0.00 C ATOM 1290 C GLY A 83 -12.390 -6.733 -5.456 1.00 0.00 C ATOM 1291 O GLY A 83 -12.032 -7.844 -5.064 1.00 0.00 O ATOM 0 H GLY A 83 -11.732 -5.485 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.587 -6.049 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.224 -4.814 -5.009 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.442 -6.401 -6.742 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.073 -7.345 -7.790 1.00 0.00 C ATOM 1297 C ASP A 84 -10.848 -6.854 -8.556 1.00 0.00 C ATOM 1298 O ASP A 84 -10.560 -7.329 -9.654 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.242 -7.553 -8.754 1.00 0.00 C ATOM 1300 CG ASP A 84 -13.103 -8.826 -9.566 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -12.471 -9.781 -9.069 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -13.628 -8.866 -10.698 1.00 0.00 O ATOM 0 H ASP A 84 -12.736 -5.486 -7.083 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.828 -8.296 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.174 -7.586 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.308 -6.700 -9.429 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.132 -5.900 -7.968 1.00 0.00 N ATOM 1308 CA GLU A 85 -8.940 -5.344 -8.597 1.00 0.00 C ATOM 1309 C GLU A 85 -7.774 -5.305 -7.613 1.00 0.00 C ATOM 1310 O GLU A 85 -7.970 -5.347 -6.398 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.223 -3.937 -9.125 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.241 -3.904 -10.253 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.669 -4.392 -11.570 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.632 -5.087 -11.545 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.260 -4.079 -12.625 1.00 0.00 O ATOM 0 H GLU A 85 -10.357 -5.497 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.667 -5.989 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.582 -3.315 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.290 -3.495 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.098 -4.521 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.608 -2.885 -10.376 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.560 -5.223 -8.146 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.361 -5.177 -7.317 1.00 0.00 C ATOM 1324 C LYS A 86 -4.150 -4.739 -8.135 1.00 0.00 C ATOM 1325 O LYS A 86 -4.068 -5.012 -9.334 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.097 -6.547 -6.689 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.455 -7.540 -7.642 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.134 -8.853 -6.948 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.148 -9.683 -7.755 1.00 0.00 C ATOM 1330 NZ LYS A 86 -3.799 -10.337 -8.924 1.00 0.00 N ATOM 0 H LYS A 86 -6.380 -5.187 -9.149 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.526 -4.447 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.451 -6.421 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.039 -6.960 -6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.125 -7.726 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.541 -7.112 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.719 -8.652 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.052 -9.421 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.335 -9.045 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.704 -10.444 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.094 -10.893 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.558 -10.965 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.201 -9.610 -9.550 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.214 -4.062 -7.481 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.007 -3.587 -8.148 1.00 0.00 C ATOM 1346 C CYS A 87 -0.781 -3.790 -7.264 1.00 0.00 C ATOM 1347 O CYS A 87 -0.897 -4.204 -6.110 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.148 -2.109 -8.514 1.00 0.00 C ATOM 1349 SG CYS A 87 -2.858 -1.818 -10.151 1.00 0.00 S ATOM 0 H CYS A 87 -3.267 -3.829 -6.489 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.874 -4.168 -9.061 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.772 -1.619 -7.767 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.166 -1.639 -8.467 1.00 0.00 H new ATOM 0 HG CYS A 87 -3.569 -2.847 -10.505 1.00 0.00 H new ATOM 1355 N SER A 88 0.394 -3.497 -7.813 1.00 0.00 N ATOM 1356 CA SER A 88 1.642 -3.653 -7.075 1.00 0.00 C ATOM 1357 C SER A 88 2.622 -2.536 -7.424 1.00 0.00 C ATOM 1358 O SER A 88 2.416 -1.790 -8.382 1.00 0.00 O ATOM 1359 CB SER A 88 2.273 -5.013 -7.379 1.00 0.00 C ATOM 1360 OG SER A 88 1.358 -6.066 -7.128 1.00 0.00 O ATOM 0 H SER A 88 0.508 -3.151 -8.766 1.00 0.00 H new ATOM 0 HA SER A 88 1.415 -3.596 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.592 -5.045 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.165 -5.149 -6.768 1.00 0.00 H new ATOM 0 HG SER A 88 1.784 -6.925 -7.331 1.00 0.00 H new ATOM 1366 N THR A 89 3.690 -2.428 -6.640 1.00 0.00 N ATOM 1367 CA THR A 89 4.701 -1.403 -6.863 1.00 0.00 C ATOM 1368 C THR A 89 6.087 -1.904 -6.473 1.00 0.00 C ATOM 1369 O THR A 89 6.221 -2.925 -5.800 1.00 0.00 O ATOM 1370 CB THR A 89 4.388 -0.121 -6.068 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.394 0.867 -6.317 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.316 -0.414 -4.577 1.00 0.00 C ATOM 0 H THR A 89 3.877 -3.038 -5.845 1.00 0.00 H new ATOM 0 HA THR A 89 4.687 -1.173 -7.928 1.00 0.00 H new ATOM 0 HB THR A 89 3.419 0.257 -6.395 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.214 1.662 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.094 0.506 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.530 -1.145 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.272 -0.813 -4.238 1.00 0.00 H new ATOM 1380 N GLU A 90 7.116 -1.178 -6.900 1.00 0.00 N ATOM 1381 CA GLU A 90 8.492 -1.550 -6.594 1.00 0.00 C ATOM 1382 C GLU A 90 9.165 -0.487 -5.731 1.00 0.00 C ATOM 1383 O GLU A 90 9.178 0.695 -6.080 1.00 0.00 O ATOM 1384 CB GLU A 90 9.288 -1.754 -7.885 1.00 0.00 C ATOM 1385 CG GLU A 90 8.813 -2.937 -8.712 1.00 0.00 C ATOM 1386 CD GLU A 90 9.777 -3.293 -9.828 1.00 0.00 C ATOM 1387 OE1 GLU A 90 9.675 -2.685 -10.914 1.00 0.00 O ATOM 1388 OE2 GLU A 90 10.631 -4.178 -9.615 1.00 0.00 O ATOM 0 H GLU A 90 7.022 -0.330 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 90 8.472 -2.486 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.222 -0.849 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.340 -1.895 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.681 -3.801 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.837 -2.708 -9.139 1.00 0.00 H new ATOM 1395 N LEU A 91 9.723 -0.914 -4.604 1.00 0.00 N ATOM 1396 CA LEU A 91 10.398 0.001 -3.690 1.00 0.00 C ATOM 1397 C LEU A 91 11.904 0.000 -3.931 1.00 0.00 C ATOM 1398 O LEU A 91 12.543 -1.052 -3.922 1.00 0.00 O ATOM 1399 CB LEU A 91 10.102 -0.385 -2.239 1.00 0.00 C ATOM 1400 CG LEU A 91 10.675 0.543 -1.168 1.00 0.00 C ATOM 1401 CD1 LEU A 91 12.192 0.593 -1.261 1.00 0.00 C ATOM 1402 CD2 LEU A 91 10.084 1.939 -1.299 1.00 0.00 C ATOM 0 H LEU A 91 9.722 -1.888 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 91 10.020 1.006 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.021 -0.432 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.488 -1.390 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 91 10.405 0.147 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.582 1.259 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.599 -0.408 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.484 0.964 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.504 2.586 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.323 2.344 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.002 1.888 -1.180 1.00 0.00 H new ATOM 1414 N PHE A 92 12.464 1.186 -4.145 1.00 0.00 N ATOM 1415 CA PHE A 92 13.896 1.321 -4.388 1.00 0.00 C ATOM 1416 C PHE A 92 14.555 2.161 -3.297 1.00 0.00 C ATOM 1417 O PHE A 92 14.500 3.390 -3.325 1.00 0.00 O ATOM 1418 CB PHE A 92 14.145 1.958 -5.757 1.00 0.00 C ATOM 1419 CG PHE A 92 13.804 1.056 -6.908 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.513 -0.116 -7.121 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.774 1.378 -7.777 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.202 -0.947 -8.180 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.458 0.550 -8.838 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.173 -0.615 -9.039 1.00 0.00 C ATOM 0 H PHE A 92 11.949 2.066 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 92 14.338 0.325 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.557 2.872 -5.836 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.194 2.246 -5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.318 -0.382 -6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.211 2.287 -7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.764 -1.856 -8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.654 0.813 -9.509 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.928 -1.265 -9.866 1.00 0.00 H new ATOM 1434 N VAL A 93 15.179 1.487 -2.335 1.00 0.00 N ATOM 1435 CA VAL A 93 15.849 2.169 -1.235 1.00 0.00 C ATOM 1436 C VAL A 93 17.340 2.326 -1.513 1.00 0.00 C ATOM 1437 O VAL A 93 18.067 1.340 -1.629 1.00 0.00 O ATOM 1438 CB VAL A 93 15.663 1.410 0.092 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.950 -0.072 -0.095 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.554 2.002 1.174 1.00 0.00 C ATOM 0 H VAL A 93 15.234 0.469 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 93 15.392 3.155 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 93 14.626 1.517 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.813 -0.592 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.266 -0.484 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.977 -0.204 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.410 1.453 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.597 1.928 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.294 3.050 1.326 1.00 0.00 H new ATOM 1450 N ARG A 94 17.788 3.573 -1.618 1.00 0.00 N ATOM 1451 CA ARG A 94 19.193 3.860 -1.883 1.00 0.00 C ATOM 1452 C ARG A 94 20.092 3.151 -0.874 1.00 0.00 C ATOM 1453 O ARG A 94 21.299 3.027 -1.083 1.00 0.00 O ATOM 1454 CB ARG A 94 19.445 5.368 -1.835 1.00 0.00 C ATOM 1455 CG ARG A 94 18.703 6.144 -2.911 1.00 0.00 C ATOM 1456 CD ARG A 94 19.080 7.617 -2.896 1.00 0.00 C ATOM 1457 NE ARG A 94 20.299 7.878 -3.657 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.401 7.688 -4.968 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.363 7.238 -5.659 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.544 7.948 -5.590 1.00 0.00 N ATOM 0 H ARG A 94 17.199 4.400 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 94 19.432 3.490 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.149 5.746 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.514 5.553 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.930 5.719 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.628 6.041 -2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.261 8.205 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 94 19.219 7.945 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 94 21.116 8.225 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.483 7.037 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 94 19.444 7.093 -6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.345 8.294 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 94 21.622 7.802 -6.596 1.00 0.00 H new