USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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 12 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 165:sc= -0.0269 (180deg=-0.426) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.68 X(o=-0.68,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -3.4! C(o=-3.4!,f=-1.6!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 55:sc= -0.878 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 81:sc= 0.464 USER MOD Single : A 50 ASN : amide:sc=0.000849 X(o=0.00085,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -5.76! C(o=-5.8!,f=-9.2!) USER MOD Single : A 57 GLN : amide:sc= -0.0503 X(o=-0.05,f=-0.031) USER MOD Single : A 61 MET CE :methyl -136:sc= -0.553 (180deg=-1.23) USER MOD Single : A 63 SER OG : rot -144:sc= -0.398 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.17) USER MOD Single : A 79 SER OG : rot -130:sc= -0.785 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.703 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -7.106 -0.931 5.551 1.00 0.00 N ATOM 67 CA LEU A 8 -6.582 -1.757 4.477 1.00 0.00 C ATOM 68 C LEU A 8 -7.564 -1.744 3.304 1.00 0.00 C ATOM 69 O LEU A 8 -7.179 -1.462 2.170 1.00 0.00 O ATOM 70 CB LEU A 8 -6.257 -3.161 4.991 1.00 0.00 C ATOM 71 CG LEU A 8 -5.063 -3.267 5.942 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.027 -4.635 6.625 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.754 -2.953 5.216 1.00 0.00 C ATOM 0 HA LEU A 8 -5.640 -1.351 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.138 -3.553 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.071 -3.807 4.133 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.183 -2.519 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.169 -4.684 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.943 -4.780 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.943 -5.417 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.922 -3.036 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.613 -3.660 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.793 -1.940 4.817 1.00 0.00 H new ATOM 85 N GLY A 9 -8.815 -2.052 3.617 1.00 0.00 N ATOM 86 CA GLY A 9 -9.855 -2.079 2.603 1.00 0.00 C ATOM 87 C GLY A 9 -9.633 -0.981 1.560 1.00 0.00 C ATOM 88 O GLY A 9 -9.556 -1.262 0.365 1.00 0.00 O ATOM 0 H GLY A 9 -9.131 -2.285 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.866 -3.053 2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.830 -1.947 3.073 1.00 0.00 H new ATOM 92 N ALA A 10 -9.536 0.246 2.050 1.00 0.00 N ATOM 93 CA ALA A 10 -9.324 1.387 1.176 1.00 0.00 C ATOM 94 C ALA A 10 -8.266 1.032 0.129 1.00 0.00 C ATOM 95 O ALA A 10 -8.476 1.239 -1.065 1.00 0.00 O ATOM 96 CB ALA A 10 -8.930 2.605 2.013 1.00 0.00 C ATOM 0 H ALA A 10 -9.600 0.475 3.042 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.242 1.640 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.771 3.461 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.727 2.833 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.011 2.390 2.558 1.00 0.00 H new ATOM 102 N LEU A 11 -7.153 0.503 0.614 1.00 0.00 N ATOM 103 CA LEU A 11 -6.062 0.117 -0.265 1.00 0.00 C ATOM 104 C LEU A 11 -6.588 -0.846 -1.330 1.00 0.00 C ATOM 105 O LEU A 11 -6.553 -0.540 -2.521 1.00 0.00 O ATOM 106 CB LEU A 11 -4.892 -0.443 0.547 1.00 0.00 C ATOM 107 CG LEU A 11 -4.210 0.537 1.504 1.00 0.00 C ATOM 108 CD1 LEU A 11 -2.943 -0.075 2.105 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.928 1.873 0.812 1.00 0.00 C ATOM 0 H LEU A 11 -6.983 0.332 1.605 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.668 0.988 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.251 -1.294 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.143 -0.823 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.893 0.739 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.478 0.642 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.202 -0.979 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.245 -0.325 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.443 2.551 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.274 1.708 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.866 2.312 0.473 1.00 0.00 H new ATOM 121 N TYR A 12 -7.063 -1.992 -0.864 1.00 0.00 N ATOM 122 CA TYR A 12 -7.595 -3.002 -1.762 1.00 0.00 C ATOM 123 C TYR A 12 -8.548 -2.380 -2.784 1.00 0.00 C ATOM 124 O TYR A 12 -8.497 -2.710 -3.968 1.00 0.00 O ATOM 125 CB TYR A 12 -8.378 -3.979 -0.882 1.00 0.00 C ATOM 126 CG TYR A 12 -9.026 -5.130 -1.654 1.00 0.00 C ATOM 127 CD1 TYR A 12 -8.263 -5.911 -2.497 1.00 0.00 C ATOM 128 CD2 TYR A 12 -10.375 -5.386 -1.506 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.874 -6.995 -3.224 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.985 -6.470 -2.233 1.00 0.00 C ATOM 131 CZ TYR A 12 -10.205 -7.220 -3.056 1.00 0.00 C ATOM 132 OH TYR A 12 -10.781 -8.243 -3.742 1.00 0.00 O ATOM 0 H TYR A 12 -7.090 -2.243 0.124 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.789 -3.488 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.706 -4.392 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.154 -3.430 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.208 -5.710 -2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.972 -4.774 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.288 -7.615 -3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.039 -6.682 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.735 -8.287 -3.524 1.00 0.00 H new ATOM 142 N LEU A 13 -9.397 -1.490 -2.290 1.00 0.00 N ATOM 143 CA LEU A 13 -10.360 -0.819 -3.146 1.00 0.00 C ATOM 144 C LEU A 13 -9.615 -0.044 -4.235 1.00 0.00 C ATOM 145 O LEU A 13 -9.965 -0.129 -5.411 1.00 0.00 O ATOM 146 CB LEU A 13 -11.305 0.049 -2.311 1.00 0.00 C ATOM 147 CG LEU A 13 -12.332 -0.703 -1.463 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.049 0.246 -0.500 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.315 -1.473 -2.347 1.00 0.00 C ATOM 0 H LEU A 13 -9.438 -1.218 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.995 -1.548 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.704 0.673 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.840 0.720 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.802 -1.437 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.774 -0.314 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.320 0.709 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.565 1.020 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.034 -1.999 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.843 -0.775 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.769 -2.194 -2.955 1.00 0.00 H new ATOM 161 N SER A 14 -8.602 0.693 -3.804 1.00 0.00 N ATOM 162 CA SER A 14 -7.805 1.482 -4.728 1.00 0.00 C ATOM 163 C SER A 14 -6.981 0.559 -5.628 1.00 0.00 C ATOM 164 O SER A 14 -6.988 0.708 -6.849 1.00 0.00 O ATOM 165 CB SER A 14 -6.888 2.449 -3.978 1.00 0.00 C ATOM 166 OG SER A 14 -7.279 3.807 -4.162 1.00 0.00 O ATOM 0 H SER A 14 -8.315 0.760 -2.828 1.00 0.00 H new ATOM 0 HA SER A 14 -8.482 2.072 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.900 2.209 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.862 2.317 -4.323 1.00 0.00 H new ATOM 0 HG SER A 14 -6.670 4.393 -3.666 1.00 0.00 H new ATOM 172 N MET A 15 -6.289 -0.374 -4.990 1.00 0.00 N ATOM 173 CA MET A 15 -5.461 -1.321 -5.717 1.00 0.00 C ATOM 174 C MET A 15 -6.235 -1.945 -6.880 1.00 0.00 C ATOM 175 O MET A 15 -5.636 -2.438 -7.835 1.00 0.00 O ATOM 176 CB MET A 15 -4.991 -2.423 -4.766 1.00 0.00 C ATOM 177 CG MET A 15 -4.095 -1.852 -3.665 1.00 0.00 C ATOM 178 SD MET A 15 -3.873 -3.060 -2.370 1.00 0.00 S ATOM 179 CE MET A 15 -2.121 -3.363 -2.525 1.00 0.00 C ATOM 0 H MET A 15 -6.285 -0.494 -3.977 1.00 0.00 H new ATOM 0 HA MET A 15 -4.601 -0.788 -6.122 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.855 -2.915 -4.318 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.446 -3.183 -5.326 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.128 -1.571 -4.081 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.541 -0.946 -3.255 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.761 -3.882 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.935 -3.979 -3.405 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.595 -2.414 -2.628 1.00 0.00 H new ATOM 189 N LYS A 16 -7.554 -1.904 -6.761 1.00 0.00 N ATOM 190 CA LYS A 16 -8.415 -2.460 -7.791 1.00 0.00 C ATOM 191 C LYS A 16 -8.315 -1.600 -9.053 1.00 0.00 C ATOM 192 O LYS A 16 -8.224 -2.126 -10.161 1.00 0.00 O ATOM 193 CB LYS A 16 -9.844 -2.618 -7.266 1.00 0.00 C ATOM 194 CG LYS A 16 -9.887 -3.571 -6.071 1.00 0.00 C ATOM 195 CD LYS A 16 -10.763 -4.789 -6.371 1.00 0.00 C ATOM 196 CE LYS A 16 -12.062 -4.742 -5.564 1.00 0.00 C ATOM 197 NZ LYS A 16 -13.234 -4.811 -6.465 1.00 0.00 N ATOM 0 H LYS A 16 -8.047 -1.495 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.086 -3.463 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.237 -1.644 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.487 -2.996 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.876 -3.897 -5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.274 -3.047 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.993 -4.822 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.216 -5.702 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.089 -5.572 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.100 -3.824 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.107 -4.778 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.215 -4.005 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.204 -5.699 -7.006 1.00 0.00 H new ATOM 211 N ASP A 17 -8.335 -0.292 -8.842 1.00 0.00 N ATOM 212 CA ASP A 17 -8.248 0.646 -9.948 1.00 0.00 C ATOM 213 C ASP A 17 -6.972 0.368 -10.747 1.00 0.00 C ATOM 214 O ASP A 17 -5.867 0.505 -10.224 1.00 0.00 O ATOM 215 CB ASP A 17 -8.186 2.089 -9.444 1.00 0.00 C ATOM 216 CG ASP A 17 -8.868 3.119 -10.346 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.541 3.122 -11.553 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.702 3.880 -9.809 1.00 0.00 O ATOM 0 H ASP A 17 -8.410 0.140 -7.921 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.135 0.519 -10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.645 2.133 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.140 2.371 -9.322 1.00 0.00 H new ATOM 223 N PRO A 18 -7.173 -0.026 -12.033 1.00 0.00 N ATOM 224 CA PRO A 18 -6.052 -0.323 -12.908 1.00 0.00 C ATOM 225 C PRO A 18 -5.364 0.962 -13.373 1.00 0.00 C ATOM 226 O PRO A 18 -4.366 0.911 -14.091 1.00 0.00 O ATOM 227 CB PRO A 18 -6.649 -1.125 -14.053 1.00 0.00 C ATOM 228 CG PRO A 18 -8.144 -0.851 -14.019 1.00 0.00 C ATOM 229 CD PRO A 18 -8.468 -0.198 -12.685 1.00 0.00 C ATOM 0 HA PRO A 18 -5.267 -0.891 -12.408 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.218 -0.823 -15.008 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.444 -2.189 -13.933 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.431 -0.198 -14.843 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.705 -1.778 -14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.972 0.759 -12.824 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.132 -0.824 -12.088 1.00 0.00 H new ATOM 237 N GLU A 19 -5.924 2.083 -12.945 1.00 0.00 N ATOM 238 CA GLU A 19 -5.376 3.379 -13.308 1.00 0.00 C ATOM 239 C GLU A 19 -4.946 4.144 -12.055 1.00 0.00 C ATOM 240 O GLU A 19 -3.803 4.588 -11.955 1.00 0.00 O ATOM 241 CB GLU A 19 -6.382 4.190 -14.127 1.00 0.00 C ATOM 242 CG GLU A 19 -6.218 3.917 -15.624 1.00 0.00 C ATOM 243 CD GLU A 19 -6.653 5.127 -16.453 1.00 0.00 C ATOM 244 OE1 GLU A 19 -6.401 6.257 -15.983 1.00 0.00 O ATOM 245 OE2 GLU A 19 -7.228 4.894 -17.538 1.00 0.00 O ATOM 0 H GLU A 19 -6.752 2.121 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.496 3.217 -13.931 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.396 3.938 -13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.243 5.253 -13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.177 3.678 -15.842 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.811 3.047 -15.906 1.00 0.00 H new ATOM 252 N LYS A 20 -5.886 4.276 -11.130 1.00 0.00 N ATOM 253 CA LYS A 20 -5.619 4.980 -9.887 1.00 0.00 C ATOM 254 C LYS A 20 -5.200 3.972 -8.815 1.00 0.00 C ATOM 255 O LYS A 20 -5.187 4.293 -7.627 1.00 0.00 O ATOM 256 CB LYS A 20 -6.821 5.838 -9.488 1.00 0.00 C ATOM 257 CG LYS A 20 -7.027 6.987 -10.477 1.00 0.00 C ATOM 258 CD LYS A 20 -6.030 8.119 -10.218 1.00 0.00 C ATOM 259 CE LYS A 20 -6.739 9.474 -10.169 1.00 0.00 C ATOM 260 NZ LYS A 20 -7.231 9.752 -8.801 1.00 0.00 N ATOM 0 H LYS A 20 -6.833 3.907 -11.217 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.789 5.675 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.718 5.219 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.670 6.239 -8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.909 6.620 -11.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.045 7.367 -10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.510 7.942 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.273 8.129 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.053 10.261 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.573 9.480 -10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.710 10.675 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.901 9.010 -8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.428 9.767 -8.140 1.00 0.00 H new ATOM 274 N GLY A 21 -4.868 2.774 -9.272 1.00 0.00 N ATOM 275 CA GLY A 21 -4.450 1.717 -8.367 1.00 0.00 C ATOM 276 C GLY A 21 -3.265 0.938 -8.943 1.00 0.00 C ATOM 277 O GLY A 21 -2.502 1.469 -9.748 1.00 0.00 O ATOM 0 H GLY A 21 -4.880 2.512 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.174 2.146 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.283 1.038 -8.186 1.00 0.00 H new ATOM 281 N ILE A 22 -3.149 -0.308 -8.508 1.00 0.00 N ATOM 282 CA ILE A 22 -2.070 -1.164 -8.970 1.00 0.00 C ATOM 283 C ILE A 22 -2.285 -1.495 -10.448 1.00 0.00 C ATOM 284 O ILE A 22 -3.413 -1.461 -10.938 1.00 0.00 O ATOM 285 CB ILE A 22 -1.946 -2.400 -8.076 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.629 -2.383 -7.298 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.117 -3.685 -8.888 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.600 -3.492 -6.244 1.00 0.00 C ATOM 0 H ILE A 22 -3.784 -0.745 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.114 -0.646 -8.894 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.753 -2.374 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.206 -2.509 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.500 -1.414 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.024 -4.548 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.101 -3.691 -9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.348 -3.733 -9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.347 -3.457 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.422 -3.349 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.705 -4.461 -6.732 1.00 0.00 H new ATOM 300 N LYS A 23 -1.186 -1.807 -11.118 1.00 0.00 N ATOM 301 CA LYS A 23 -1.240 -2.143 -12.531 1.00 0.00 C ATOM 302 C LYS A 23 -1.628 -3.615 -12.686 1.00 0.00 C ATOM 303 O LYS A 23 -1.807 -4.321 -11.694 1.00 0.00 O ATOM 304 CB LYS A 23 0.077 -1.779 -13.219 1.00 0.00 C ATOM 305 CG LYS A 23 -0.077 -0.512 -14.062 1.00 0.00 C ATOM 306 CD LYS A 23 -0.170 -0.852 -15.551 1.00 0.00 C ATOM 307 CE LYS A 23 0.305 0.319 -16.412 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.809 0.844 -17.234 1.00 0.00 N ATOM 0 H LYS A 23 -0.252 -1.834 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.008 -1.555 -13.033 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.854 -1.629 -12.469 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.401 -2.605 -13.853 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.971 0.029 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.772 0.150 -13.889 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.434 -1.734 -15.765 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.200 -1.102 -15.807 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.699 1.111 -15.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.121 -0.005 -17.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.469 1.639 -17.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.166 0.091 -17.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.575 1.172 -16.612 1.00 0.00 H new ATOM 322 N GLU A 24 -1.747 -4.034 -13.937 1.00 0.00 N ATOM 323 CA GLU A 24 -2.111 -5.409 -14.234 1.00 0.00 C ATOM 324 C GLU A 24 -1.422 -5.874 -15.518 1.00 0.00 C ATOM 325 O GLU A 24 -1.918 -5.630 -16.617 1.00 0.00 O ATOM 326 CB GLU A 24 -3.630 -5.563 -14.340 1.00 0.00 C ATOM 327 CG GLU A 24 -4.320 -5.085 -13.062 1.00 0.00 C ATOM 328 CD GLU A 24 -5.701 -5.727 -12.911 1.00 0.00 C ATOM 329 OE1 GLU A 24 -6.409 -5.797 -13.938 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.016 -6.133 -11.772 1.00 0.00 O ATOM 0 H GLU A 24 -1.598 -3.446 -14.757 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.771 -6.040 -13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.998 -4.992 -15.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.881 -6.608 -14.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.704 -5.332 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.420 -4.000 -13.083 1.00 0.00 H new ATOM 337 N LEU A 25 -0.289 -6.537 -15.337 1.00 0.00 N ATOM 338 CA LEU A 25 0.474 -7.039 -16.467 1.00 0.00 C ATOM 339 C LEU A 25 0.243 -8.545 -16.604 1.00 0.00 C ATOM 340 O LEU A 25 -0.064 -9.221 -15.623 1.00 0.00 O ATOM 341 CB LEU A 25 1.948 -6.653 -16.333 1.00 0.00 C ATOM 342 CG LEU A 25 2.228 -5.273 -15.734 1.00 0.00 C ATOM 343 CD1 LEU A 25 3.373 -5.337 -14.721 1.00 0.00 C ATOM 344 CD2 LEU A 25 2.491 -4.241 -16.832 1.00 0.00 C ATOM 0 H LEU A 25 0.119 -6.738 -14.424 1.00 0.00 H new ATOM 0 HA LEU A 25 0.131 -6.578 -17.393 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.445 -7.402 -15.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.406 -6.698 -17.321 1.00 0.00 H new ATOM 0 HG LEU A 25 1.338 -4.948 -15.194 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.552 -4.343 -14.310 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.107 -6.020 -13.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.277 -5.693 -15.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.687 -3.269 -16.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.356 -4.548 -17.420 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.618 -4.169 -17.481 1.00 0.00 H new ATOM 356 N ASN A 26 0.399 -9.027 -17.828 1.00 0.00 N ATOM 357 CA ASN A 26 0.211 -10.440 -18.106 1.00 0.00 C ATOM 358 C ASN A 26 1.577 -11.120 -18.214 1.00 0.00 C ATOM 359 O ASN A 26 2.426 -10.695 -18.997 1.00 0.00 O ATOM 360 CB ASN A 26 -0.527 -10.648 -19.430 1.00 0.00 C ATOM 361 CG ASN A 26 0.306 -10.136 -20.608 1.00 0.00 C ATOM 362 OD1 ASN A 26 0.381 -8.949 -20.879 1.00 0.00 O ATOM 363 ND2 ASN A 26 0.924 -11.096 -21.290 1.00 0.00 N ATOM 0 H ASN A 26 0.654 -8.463 -18.639 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.378 -10.868 -17.294 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.744 -11.707 -19.567 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.484 -10.127 -19.403 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.504 -10.858 -22.095 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.818 -12.071 -21.009 1.00 0.00 H new ATOM 370 N LEU A 27 1.748 -12.165 -17.417 1.00 0.00 N ATOM 371 CA LEU A 27 2.996 -12.908 -17.414 1.00 0.00 C ATOM 372 C LEU A 27 2.707 -14.384 -17.690 1.00 0.00 C ATOM 373 O LEU A 27 1.650 -14.893 -17.320 1.00 0.00 O ATOM 374 CB LEU A 27 3.761 -12.664 -16.111 1.00 0.00 C ATOM 375 CG LEU A 27 3.502 -11.323 -15.422 1.00 0.00 C ATOM 376 CD1 LEU A 27 3.566 -10.170 -16.425 1.00 0.00 C ATOM 377 CD2 LEU A 27 2.176 -11.345 -14.658 1.00 0.00 C ATOM 0 H LEU A 27 1.042 -12.514 -16.769 1.00 0.00 H new ATOM 0 HA LEU A 27 3.650 -12.557 -18.212 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.513 -13.463 -15.412 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.828 -12.743 -16.319 1.00 0.00 H new ATOM 0 HG LEU A 27 4.292 -11.158 -14.690 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.378 -9.228 -15.909 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.554 -10.142 -16.884 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.811 -10.317 -17.197 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.017 -10.380 -14.178 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.359 -11.544 -15.352 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.206 -12.127 -13.899 1.00 0.00 H new ATOM 482 N VAL A 33 -0.391 -18.243 -18.473 1.00 0.00 N ATOM 483 CA VAL A 33 -0.612 -16.854 -18.839 1.00 0.00 C ATOM 484 C VAL A 33 -1.414 -16.162 -17.735 1.00 0.00 C ATOM 485 O VAL A 33 -2.636 -16.053 -17.826 1.00 0.00 O ATOM 486 CB VAL A 33 -1.289 -16.775 -20.209 1.00 0.00 C ATOM 487 CG1 VAL A 33 -1.663 -15.332 -20.553 1.00 0.00 C ATOM 488 CG2 VAL A 33 -0.401 -17.385 -21.295 1.00 0.00 C ATOM 0 HA VAL A 33 0.338 -16.327 -18.930 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.209 -17.358 -20.162 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.142 -15.304 -21.531 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.350 -14.945 -19.801 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.763 -14.718 -20.572 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.906 -17.316 -22.259 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.543 -16.842 -21.340 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.207 -18.432 -21.061 1.00 0.00 H new ATOM 498 N PHE A 34 -0.694 -15.712 -16.718 1.00 0.00 N ATOM 499 CA PHE A 34 -1.324 -15.034 -15.597 1.00 0.00 C ATOM 500 C PHE A 34 -1.826 -13.649 -16.008 1.00 0.00 C ATOM 501 O PHE A 34 -1.038 -12.716 -16.152 1.00 0.00 O ATOM 502 CB PHE A 34 -0.256 -14.876 -14.513 1.00 0.00 C ATOM 503 CG PHE A 34 0.053 -16.166 -13.751 1.00 0.00 C ATOM 504 CD1 PHE A 34 -0.829 -16.640 -12.831 1.00 0.00 C ATOM 505 CD2 PHE A 34 1.211 -16.838 -13.993 1.00 0.00 C ATOM 506 CE1 PHE A 34 -0.542 -17.837 -12.124 1.00 0.00 C ATOM 507 CE2 PHE A 34 1.497 -18.035 -13.285 1.00 0.00 C ATOM 508 CZ PHE A 34 0.615 -18.509 -12.365 1.00 0.00 C ATOM 0 H PHE A 34 0.319 -15.803 -16.646 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.179 -15.611 -15.244 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.662 -14.509 -14.972 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.583 -14.116 -13.803 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.748 -16.106 -12.638 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.912 -16.461 -14.723 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.243 -18.214 -11.394 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.416 -18.569 -13.477 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.834 -19.419 -11.826 1.00 0.00 H new ATOM 518 N ASN A 35 -3.136 -13.558 -16.184 1.00 0.00 N ATOM 519 CA ASN A 35 -3.754 -12.302 -16.575 1.00 0.00 C ATOM 520 C ASN A 35 -4.352 -11.627 -15.340 1.00 0.00 C ATOM 521 O ASN A 35 -4.896 -12.298 -14.463 1.00 0.00 O ATOM 522 CB ASN A 35 -4.883 -12.533 -17.582 1.00 0.00 C ATOM 523 CG ASN A 35 -4.400 -12.290 -19.013 1.00 0.00 C ATOM 524 OD1 ASN A 35 -4.665 -11.264 -19.619 1.00 0.00 O ATOM 525 ND2 ASN A 35 -3.679 -13.287 -19.517 1.00 0.00 N ATOM 0 H ASN A 35 -3.787 -14.334 -16.063 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.987 -11.676 -17.031 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.255 -13.553 -17.488 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.717 -11.868 -17.358 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.310 -13.221 -20.466 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.495 -14.118 -18.955 1.00 0.00 H new ATOM 532 N HIS A 36 -4.233 -10.308 -15.309 1.00 0.00 N ATOM 533 CA HIS A 36 -4.756 -9.534 -14.196 1.00 0.00 C ATOM 534 C HIS A 36 -4.070 -9.973 -12.900 1.00 0.00 C ATOM 535 O HIS A 36 -4.738 -10.272 -11.911 1.00 0.00 O ATOM 536 CB HIS A 36 -6.280 -9.643 -14.127 1.00 0.00 C ATOM 537 CG HIS A 36 -6.972 -9.434 -15.452 1.00 0.00 C ATOM 538 ND1 HIS A 36 -6.807 -8.287 -16.211 1.00 0.00 N ATOM 539 CD2 HIS A 36 -7.830 -10.235 -16.147 1.00 0.00 C ATOM 540 CE1 HIS A 36 -7.539 -8.404 -17.309 1.00 0.00 C ATOM 541 NE2 HIS A 36 -8.172 -9.611 -17.267 1.00 0.00 N ATOM 0 H HIS A 36 -3.782 -9.755 -16.038 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.533 -8.478 -14.345 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.546 -10.627 -13.741 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.654 -8.909 -13.414 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.173 -11.211 -15.838 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.620 -7.672 -18.099 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.805 -9.975 -17.980 1.00 0.00 H new ATOM 549 N CYS A 37 -2.747 -9.997 -12.947 1.00 0.00 N ATOM 550 CA CYS A 37 -1.964 -10.394 -11.789 1.00 0.00 C ATOM 551 C CYS A 37 -1.032 -9.237 -11.420 1.00 0.00 C ATOM 552 O CYS A 37 -0.853 -8.305 -12.202 1.00 0.00 O ATOM 553 CB CYS A 37 -1.191 -11.689 -12.046 1.00 0.00 C ATOM 554 SG CYS A 37 -2.343 -13.111 -12.069 1.00 0.00 S ATOM 0 H CYS A 37 -2.197 -9.748 -13.769 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.629 -10.605 -10.952 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.662 -11.624 -12.997 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.438 -11.833 -11.271 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.288 -12.890 -12.934 1.00 0.00 H new ATOM 560 N LEU A 38 -0.463 -9.336 -10.227 1.00 0.00 N ATOM 561 CA LEU A 38 0.445 -8.310 -9.745 1.00 0.00 C ATOM 562 C LEU A 38 1.826 -8.926 -9.511 1.00 0.00 C ATOM 563 O LEU A 38 2.207 -9.879 -10.189 1.00 0.00 O ATOM 564 CB LEU A 38 -0.136 -7.617 -8.511 1.00 0.00 C ATOM 565 CG LEU A 38 -1.662 -7.608 -8.403 1.00 0.00 C ATOM 566 CD1 LEU A 38 -2.114 -7.007 -7.070 1.00 0.00 C ATOM 567 CD2 LEU A 38 -2.292 -6.890 -9.598 1.00 0.00 C ATOM 0 H LEU A 38 -0.613 -10.111 -9.581 1.00 0.00 H new ATOM 0 HA LEU A 38 0.567 -7.527 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.268 -8.102 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.215 -6.585 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.012 -8.640 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.203 -7.013 -7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.709 -7.598 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.752 -5.982 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.377 -6.898 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.938 -5.860 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.010 -7.400 -10.519 1.00 0.00 H new ATOM 579 N THR A 39 2.538 -8.356 -8.550 1.00 0.00 N ATOM 580 CA THR A 39 3.868 -8.838 -8.218 1.00 0.00 C ATOM 581 C THR A 39 4.241 -8.435 -6.790 1.00 0.00 C ATOM 582 O THR A 39 3.990 -7.304 -6.375 1.00 0.00 O ATOM 583 CB THR A 39 4.840 -8.305 -9.273 1.00 0.00 C ATOM 584 OG1 THR A 39 4.380 -6.982 -9.533 1.00 0.00 O ATOM 585 CG2 THR A 39 4.695 -9.022 -10.617 1.00 0.00 C ATOM 0 H THR A 39 2.219 -7.565 -7.991 1.00 0.00 H new ATOM 0 HA THR A 39 3.910 -9.927 -8.236 1.00 0.00 H new ATOM 0 HB THR A 39 5.863 -8.414 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.956 -6.562 -10.206 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.407 -8.606 -11.330 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.893 -10.086 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.682 -8.886 -10.995 1.00 0.00 H new ATOM 593 N GLY A 40 4.833 -9.382 -6.077 1.00 0.00 N ATOM 594 CA GLY A 40 5.242 -9.140 -4.704 1.00 0.00 C ATOM 595 C GLY A 40 5.955 -7.792 -4.575 1.00 0.00 C ATOM 596 O GLY A 40 5.691 -7.033 -3.643 1.00 0.00 O ATOM 0 H GLY A 40 5.039 -10.319 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.369 -9.158 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.904 -9.939 -4.372 1.00 0.00 H new ATOM 600 N SER A 41 6.845 -7.536 -5.522 1.00 0.00 N ATOM 601 CA SER A 41 7.599 -6.294 -5.526 1.00 0.00 C ATOM 602 C SER A 41 6.707 -5.143 -5.997 1.00 0.00 C ATOM 603 O SER A 41 6.593 -4.124 -5.318 1.00 0.00 O ATOM 604 CB SER A 41 8.838 -6.403 -6.415 1.00 0.00 C ATOM 605 OG SER A 41 9.318 -5.125 -6.822 1.00 0.00 O ATOM 0 H SER A 41 7.061 -8.168 -6.293 1.00 0.00 H new ATOM 0 HA SER A 41 7.934 -6.094 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.625 -6.931 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.600 -6.998 -7.297 1.00 0.00 H new ATOM 0 HG SER A 41 10.111 -5.238 -7.387 1.00 0.00 H new ATOM 611 N GLY A 42 6.099 -5.344 -7.157 1.00 0.00 N ATOM 612 CA GLY A 42 5.222 -4.336 -7.726 1.00 0.00 C ATOM 613 C GLY A 42 4.185 -3.869 -6.703 1.00 0.00 C ATOM 614 O GLY A 42 3.935 -2.672 -6.569 1.00 0.00 O ATOM 0 H GLY A 42 6.197 -6.190 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.813 -3.485 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.716 -4.742 -8.602 1.00 0.00 H new ATOM 618 N VAL A 43 3.610 -4.839 -6.007 1.00 0.00 N ATOM 619 CA VAL A 43 2.606 -4.542 -4.999 1.00 0.00 C ATOM 620 C VAL A 43 3.148 -3.478 -4.043 1.00 0.00 C ATOM 621 O VAL A 43 2.432 -2.550 -3.671 1.00 0.00 O ATOM 622 CB VAL A 43 2.185 -5.829 -4.286 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.395 -5.516 -3.013 1.00 0.00 C ATOM 624 CG2 VAL A 43 1.382 -6.736 -5.220 1.00 0.00 C ATOM 0 H VAL A 43 3.820 -5.831 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 43 1.708 -4.134 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 43 3.090 -6.364 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.108 -6.447 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.014 -4.928 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.500 -4.950 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.095 -7.643 -4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.486 -6.213 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.992 -6.999 -6.084 1.00 0.00 H new ATOM 634 N ILE A 44 4.408 -3.649 -3.671 1.00 0.00 N ATOM 635 CA ILE A 44 5.054 -2.715 -2.765 1.00 0.00 C ATOM 636 C ILE A 44 5.470 -1.463 -3.541 1.00 0.00 C ATOM 637 O ILE A 44 5.565 -0.378 -2.970 1.00 0.00 O ATOM 638 CB ILE A 44 6.211 -3.395 -2.030 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.795 -4.772 -1.508 1.00 0.00 C ATOM 640 CG2 ILE A 44 6.754 -2.499 -0.915 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.015 -5.579 -1.058 1.00 0.00 C ATOM 0 H ILE A 44 4.999 -4.421 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 44 4.359 -2.394 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 44 7.022 -3.552 -2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.104 -4.655 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.263 -5.315 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.575 -3.006 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.114 -1.563 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.960 -2.289 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.692 -6.553 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.692 -5.715 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.531 -5.044 -0.261 1.00 0.00 H new ATOM 653 N ASP A 45 5.705 -1.656 -4.830 1.00 0.00 N ATOM 654 CA ASP A 45 6.108 -0.557 -5.690 1.00 0.00 C ATOM 655 C ASP A 45 4.978 0.473 -5.757 1.00 0.00 C ATOM 656 O ASP A 45 5.229 1.677 -5.755 1.00 0.00 O ATOM 657 CB ASP A 45 6.389 -1.044 -7.113 1.00 0.00 C ATOM 658 CG ASP A 45 7.198 -0.077 -7.980 1.00 0.00 C ATOM 659 OD1 ASP A 45 7.450 1.046 -7.493 1.00 0.00 O ATOM 660 OD2 ASP A 45 7.547 -0.484 -9.109 1.00 0.00 O ATOM 0 H ASP A 45 5.624 -2.558 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 45 7.015 -0.119 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.924 -1.992 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.438 -1.243 -7.607 1.00 0.00 H new ATOM 665 N TRP A 46 3.757 -0.039 -5.816 1.00 0.00 N ATOM 666 CA TRP A 46 2.588 0.821 -5.884 1.00 0.00 C ATOM 667 C TRP A 46 2.469 1.563 -4.551 1.00 0.00 C ATOM 668 O TRP A 46 2.048 2.719 -4.516 1.00 0.00 O ATOM 669 CB TRP A 46 1.335 0.016 -6.234 1.00 0.00 C ATOM 670 CG TRP A 46 0.052 0.848 -6.275 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.401 1.618 -7.273 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.933 0.962 -5.225 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.599 2.218 -6.946 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.933 1.807 -5.661 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.976 0.371 -3.950 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -3.050 2.137 -4.884 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -2.099 0.712 -3.186 1.00 0.00 C ATOM 678 CH2 TRP A 46 -3.115 1.560 -3.610 1.00 0.00 C ATOM 0 H TRP A 46 3.552 -1.038 -5.818 1.00 0.00 H new ATOM 0 HA TRP A 46 2.695 1.555 -6.683 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.480 -0.458 -7.205 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.214 -0.784 -5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.108 1.752 -8.216 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.140 2.848 -7.538 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.205 -0.293 -3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.820 2.801 -5.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.181 0.286 -2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.951 1.773 -2.960 1.00 0.00 H new ATOM 689 N LEU A 47 2.846 0.869 -3.488 1.00 0.00 N ATOM 690 CA LEU A 47 2.787 1.448 -2.157 1.00 0.00 C ATOM 691 C LEU A 47 3.768 2.619 -2.070 1.00 0.00 C ATOM 692 O LEU A 47 3.385 3.728 -1.702 1.00 0.00 O ATOM 693 CB LEU A 47 3.019 0.372 -1.094 1.00 0.00 C ATOM 694 CG LEU A 47 1.941 -0.709 -0.987 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.419 -1.875 -0.120 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.623 -0.120 -0.480 1.00 0.00 C ATOM 0 H LEU A 47 3.194 -0.089 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 47 1.793 1.849 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.973 -0.113 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.112 0.861 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 47 1.754 -1.105 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.634 -2.629 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.313 -2.315 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.651 -1.513 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.126 -0.909 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.776 0.320 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.279 0.650 -1.171 1.00 0.00 H new ATOM 708 N VAL A 48 5.014 2.333 -2.416 1.00 0.00 N ATOM 709 CA VAL A 48 6.053 3.348 -2.383 1.00 0.00 C ATOM 710 C VAL A 48 5.773 4.394 -3.464 1.00 0.00 C ATOM 711 O VAL A 48 5.902 5.593 -3.222 1.00 0.00 O ATOM 712 CB VAL A 48 7.429 2.695 -2.525 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.527 3.752 -2.655 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.711 1.752 -1.353 1.00 0.00 C ATOM 0 H VAL A 48 5.328 1.412 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 48 6.051 3.864 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 48 7.426 2.102 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.495 3.261 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.339 4.365 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.531 4.384 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.695 1.301 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.685 2.314 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.953 0.969 -1.326 1.00 0.00 H new ATOM 724 N SER A 49 5.395 3.901 -4.635 1.00 0.00 N ATOM 725 CA SER A 49 5.096 4.777 -5.755 1.00 0.00 C ATOM 726 C SER A 49 4.194 5.924 -5.295 1.00 0.00 C ATOM 727 O SER A 49 4.480 7.090 -5.564 1.00 0.00 O ATOM 728 CB SER A 49 4.433 4.005 -6.897 1.00 0.00 C ATOM 729 OG SER A 49 5.390 3.474 -7.809 1.00 0.00 O ATOM 0 H SER A 49 5.289 2.906 -4.832 1.00 0.00 H new ATOM 0 HA SER A 49 6.034 5.188 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.835 3.192 -6.486 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.750 4.665 -7.432 1.00 0.00 H new ATOM 0 HG SER A 49 5.767 2.647 -7.443 1.00 0.00 H new ATOM 735 N ASN A 50 3.123 5.554 -4.609 1.00 0.00 N ATOM 736 CA ASN A 50 2.177 6.537 -4.109 1.00 0.00 C ATOM 737 C ASN A 50 2.702 7.122 -2.796 1.00 0.00 C ATOM 738 O ASN A 50 2.284 8.202 -2.383 1.00 0.00 O ATOM 739 CB ASN A 50 0.814 5.899 -3.832 1.00 0.00 C ATOM 740 CG ASN A 50 -0.105 6.019 -5.048 1.00 0.00 C ATOM 741 OD1 ASN A 50 -0.803 7.002 -5.237 1.00 0.00 O ATOM 742 ND2 ASN A 50 -0.068 4.967 -5.861 1.00 0.00 N ATOM 0 H ASN A 50 2.889 4.586 -4.387 1.00 0.00 H new ATOM 0 HA ASN A 50 2.064 7.312 -4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.946 4.848 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.350 6.382 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.646 4.951 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.539 4.176 -5.644 1.00 0.00 H new ATOM 749 N LYS A 51 3.610 6.382 -2.177 1.00 0.00 N ATOM 750 CA LYS A 51 4.196 6.814 -0.920 1.00 0.00 C ATOM 751 C LYS A 51 3.258 6.440 0.230 1.00 0.00 C ATOM 752 O LYS A 51 2.884 7.293 1.033 1.00 0.00 O ATOM 753 CB LYS A 51 4.541 8.303 -0.973 1.00 0.00 C ATOM 754 CG LYS A 51 5.245 8.657 -2.284 1.00 0.00 C ATOM 755 CD LYS A 51 6.765 8.574 -2.129 1.00 0.00 C ATOM 756 CE LYS A 51 7.417 8.030 -3.402 1.00 0.00 C ATOM 757 NZ LYS A 51 8.548 8.892 -3.814 1.00 0.00 N ATOM 0 H LYS A 51 3.954 5.486 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 51 5.140 6.299 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.631 8.894 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.182 8.561 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.918 7.978 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.962 9.663 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.166 9.563 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.014 7.930 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.771 7.013 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.679 7.980 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.979 8.509 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.202 9.855 -3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.259 8.918 -3.055 1.00 0.00 H new ATOM 771 N LEU A 52 2.905 5.164 0.272 1.00 0.00 N ATOM 772 CA LEU A 52 2.018 4.667 1.310 1.00 0.00 C ATOM 773 C LEU A 52 2.832 4.371 2.572 1.00 0.00 C ATOM 774 O LEU A 52 2.281 4.311 3.670 1.00 0.00 O ATOM 775 CB LEU A 52 1.216 3.467 0.801 1.00 0.00 C ATOM 776 CG LEU A 52 -0.123 3.790 0.135 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.828 2.513 -0.326 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.007 4.630 1.060 1.00 0.00 C ATOM 0 H LEU A 52 3.217 4.459 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 52 1.281 5.425 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.832 2.920 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.030 2.797 1.640 1.00 0.00 H new ATOM 0 HG LEU A 52 0.074 4.389 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.777 2.771 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.198 1.989 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.012 1.868 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.953 4.846 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.199 4.078 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.500 5.565 1.297 1.00 0.00 H new ATOM 790 N VAL A 53 4.129 4.194 2.373 1.00 0.00 N ATOM 791 CA VAL A 53 5.024 3.906 3.481 1.00 0.00 C ATOM 792 C VAL A 53 6.249 4.819 3.392 1.00 0.00 C ATOM 793 O VAL A 53 6.289 5.731 2.568 1.00 0.00 O ATOM 794 CB VAL A 53 5.386 2.420 3.488 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.256 1.583 4.090 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.739 1.934 2.081 1.00 0.00 C ATOM 0 H VAL A 53 4.582 4.244 1.461 1.00 0.00 H new ATOM 0 HA VAL A 53 4.533 4.112 4.432 1.00 0.00 H new ATOM 0 HB VAL A 53 6.268 2.294 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.539 0.530 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.073 1.903 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.349 1.719 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.992 0.874 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.885 2.082 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.592 2.499 1.704 1.00 0.00 H new ATOM 806 N ARG A 54 7.217 4.542 4.253 1.00 0.00 N ATOM 807 CA ARG A 54 8.439 5.327 4.282 1.00 0.00 C ATOM 808 C ARG A 54 9.529 4.645 3.452 1.00 0.00 C ATOM 809 O ARG A 54 10.464 5.298 2.993 1.00 0.00 O ATOM 810 CB ARG A 54 8.941 5.512 5.716 1.00 0.00 C ATOM 811 CG ARG A 54 8.184 6.639 6.421 1.00 0.00 C ATOM 812 CD ARG A 54 8.966 7.151 7.632 1.00 0.00 C ATOM 813 NE ARG A 54 8.030 7.567 8.700 1.00 0.00 N ATOM 814 CZ ARG A 54 7.441 8.770 8.756 1.00 0.00 C ATOM 815 NH1 ARG A 54 7.688 9.682 7.806 1.00 0.00 N ATOM 816 NH2 ARG A 54 6.605 9.060 9.763 1.00 0.00 N ATOM 0 H ARG A 54 7.180 3.785 4.936 1.00 0.00 H new ATOM 0 HA ARG A 54 8.214 6.306 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.816 4.582 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.008 5.737 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.011 7.458 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.206 6.280 6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.630 6.370 8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.595 7.992 7.340 1.00 0.00 H new ATOM 0 HE ARG A 54 7.820 6.897 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.324 9.461 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.240 10.597 7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.417 8.366 10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.157 9.975 9.806 1.00 0.00 H new ATOM 830 N ASN A 55 9.370 3.340 3.284 1.00 0.00 N ATOM 831 CA ASN A 55 10.329 2.563 2.517 1.00 0.00 C ATOM 832 C ASN A 55 9.659 1.278 2.025 1.00 0.00 C ATOM 833 O ASN A 55 8.504 1.010 2.354 1.00 0.00 O ATOM 834 CB ASN A 55 11.532 2.169 3.376 1.00 0.00 C ATOM 835 CG ASN A 55 11.081 1.516 4.685 1.00 0.00 C ATOM 836 OD1 ASN A 55 11.312 0.345 4.936 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.427 2.338 5.501 1.00 0.00 N ATOM 0 H ASN A 55 8.592 2.802 3.666 1.00 0.00 H new ATOM 0 HA ASN A 55 10.668 3.175 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.169 1.479 2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.133 3.052 3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.085 1.999 6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.268 3.308 5.228 1.00 0.00 H new ATOM 844 N ARG A 56 10.412 0.518 1.244 1.00 0.00 N ATOM 845 CA ARG A 56 9.905 -0.732 0.702 1.00 0.00 C ATOM 846 C ARG A 56 9.612 -1.719 1.833 1.00 0.00 C ATOM 847 O ARG A 56 8.610 -2.432 1.795 1.00 0.00 O ATOM 848 CB ARG A 56 10.910 -1.360 -0.266 1.00 0.00 C ATOM 849 CG ARG A 56 10.385 -1.320 -1.703 1.00 0.00 C ATOM 850 CD ARG A 56 9.528 -2.551 -2.007 1.00 0.00 C ATOM 851 NE ARG A 56 10.371 -3.627 -2.575 1.00 0.00 N ATOM 852 CZ ARG A 56 10.698 -3.721 -3.871 1.00 0.00 C ATOM 853 NH1 ARG A 56 10.253 -2.804 -4.742 1.00 0.00 N ATOM 854 NH2 ARG A 56 11.468 -4.731 -4.296 1.00 0.00 N ATOM 0 H ARG A 56 11.369 0.743 0.973 1.00 0.00 H new ATOM 0 HA ARG A 56 8.986 -0.511 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.859 -0.827 -0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.105 -2.392 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.796 -0.416 -1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.223 -1.274 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.043 -2.901 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.736 -2.289 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 56 10.725 -4.342 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.666 -2.035 -4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.502 -2.875 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.806 -5.429 -3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.717 -4.802 -5.283 1.00 0.00 H new ATOM 868 N GLN A 57 10.503 -1.730 2.813 1.00 0.00 N ATOM 869 CA GLN A 57 10.352 -2.618 3.953 1.00 0.00 C ATOM 870 C GLN A 57 8.932 -2.526 4.514 1.00 0.00 C ATOM 871 O GLN A 57 8.168 -3.487 4.441 1.00 0.00 O ATOM 872 CB GLN A 57 11.390 -2.306 5.033 1.00 0.00 C ATOM 873 CG GLN A 57 11.948 -3.592 5.645 1.00 0.00 C ATOM 874 CD GLN A 57 10.925 -4.245 6.577 1.00 0.00 C ATOM 875 OE1 GLN A 57 10.400 -5.314 6.313 1.00 0.00 O ATOM 876 NE2 GLN A 57 10.672 -3.544 7.679 1.00 0.00 N ATOM 0 H GLN A 57 11.333 -1.138 2.841 1.00 0.00 H new ATOM 0 HA GLN A 57 10.523 -3.641 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.203 -1.721 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.936 -1.695 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.219 -4.289 4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.860 -3.369 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.147 -2.656 7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.003 -3.895 8.364 1.00 0.00 H new ATOM 885 N GLU A 58 8.620 -1.360 5.060 1.00 0.00 N ATOM 886 CA GLU A 58 7.305 -1.129 5.633 1.00 0.00 C ATOM 887 C GLU A 58 6.229 -1.803 4.780 1.00 0.00 C ATOM 888 O GLU A 58 5.376 -2.519 5.302 1.00 0.00 O ATOM 889 CB GLU A 58 7.028 0.368 5.784 1.00 0.00 C ATOM 890 CG GLU A 58 6.817 0.742 7.252 1.00 0.00 C ATOM 891 CD GLU A 58 6.199 2.135 7.380 1.00 0.00 C ATOM 892 OE1 GLU A 58 4.952 2.209 7.339 1.00 0.00 O ATOM 893 OE2 GLU A 58 6.987 3.096 7.516 1.00 0.00 O ATOM 0 H GLU A 58 9.256 -0.564 5.118 1.00 0.00 H new ATOM 0 HA GLU A 58 7.281 -1.571 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.862 0.939 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.144 0.638 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.168 0.007 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.771 0.714 7.779 1.00 0.00 H new ATOM 900 N GLY A 59 6.304 -1.550 3.481 1.00 0.00 N ATOM 901 CA GLY A 59 5.347 -2.123 2.551 1.00 0.00 C ATOM 902 C GLY A 59 5.351 -3.651 2.632 1.00 0.00 C ATOM 903 O GLY A 59 4.295 -4.273 2.742 1.00 0.00 O ATOM 0 H GLY A 59 7.013 -0.956 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.349 -1.746 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.588 -1.808 1.536 1.00 0.00 H new ATOM 907 N LEU A 60 6.550 -4.212 2.574 1.00 0.00 N ATOM 908 CA LEU A 60 6.705 -5.655 2.640 1.00 0.00 C ATOM 909 C LEU A 60 5.806 -6.211 3.746 1.00 0.00 C ATOM 910 O LEU A 60 5.051 -7.155 3.521 1.00 0.00 O ATOM 911 CB LEU A 60 8.180 -6.028 2.800 1.00 0.00 C ATOM 912 CG LEU A 60 8.525 -7.505 2.593 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.725 -8.214 3.934 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.470 -8.198 1.729 1.00 0.00 C ATOM 0 H LEU A 60 7.423 -3.693 2.482 1.00 0.00 H new ATOM 0 HA LEU A 60 6.383 -6.116 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.762 -5.437 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.501 -5.737 3.800 1.00 0.00 H new ATOM 0 HG LEU A 60 9.471 -7.563 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.969 -9.262 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.540 -7.738 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.809 -8.148 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.739 -9.246 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.498 -8.131 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.420 -7.711 0.755 1.00 0.00 H new ATOM 926 N MET A 61 5.917 -5.601 4.917 1.00 0.00 N ATOM 927 CA MET A 61 5.124 -6.023 6.059 1.00 0.00 C ATOM 928 C MET A 61 3.632 -5.807 5.799 1.00 0.00 C ATOM 929 O MET A 61 2.842 -6.747 5.873 1.00 0.00 O ATOM 930 CB MET A 61 5.548 -5.230 7.296 1.00 0.00 C ATOM 931 CG MET A 61 7.069 -5.231 7.454 1.00 0.00 C ATOM 932 SD MET A 61 7.511 -4.772 9.121 1.00 0.00 S ATOM 933 CE MET A 61 6.752 -3.158 9.210 1.00 0.00 C ATOM 0 H MET A 61 6.544 -4.818 5.099 1.00 0.00 H new ATOM 0 HA MET A 61 5.294 -7.087 6.224 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.188 -4.204 7.216 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.086 -5.661 8.184 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.466 -6.220 7.223 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.517 -4.534 6.745 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.441 -2.457 9.681 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.514 -2.812 8.204 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.837 -3.218 9.799 1.00 0.00 H new ATOM 943 N ILE A 62 3.290 -4.562 5.501 1.00 0.00 N ATOM 944 CA ILE A 62 1.906 -4.210 5.230 1.00 0.00 C ATOM 945 C ILE A 62 1.338 -5.164 4.178 1.00 0.00 C ATOM 946 O ILE A 62 0.315 -5.808 4.407 1.00 0.00 O ATOM 947 CB ILE A 62 1.795 -2.733 4.845 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.329 -1.833 5.961 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.359 -2.374 4.458 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.314 -1.709 7.099 1.00 0.00 C ATOM 0 H ILE A 62 3.947 -3.784 5.441 1.00 0.00 H new ATOM 0 HA ILE A 62 1.300 -4.328 6.128 1.00 0.00 H new ATOM 0 HB ILE A 62 2.418 -2.562 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.264 -2.241 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.553 -0.845 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.308 -1.319 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.049 -2.981 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.304 -2.566 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.719 -1.064 7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.389 -1.278 6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.110 -2.696 7.514 1.00 0.00 H new ATOM 962 N SER A 63 2.027 -5.226 3.048 1.00 0.00 N ATOM 963 CA SER A 63 1.604 -6.091 1.960 1.00 0.00 C ATOM 964 C SER A 63 1.038 -7.398 2.521 1.00 0.00 C ATOM 965 O SER A 63 -0.063 -7.809 2.157 1.00 0.00 O ATOM 966 CB SER A 63 2.762 -6.381 1.004 1.00 0.00 C ATOM 967 OG SER A 63 2.984 -5.309 0.093 1.00 0.00 O ATOM 0 H SER A 63 2.875 -4.691 2.862 1.00 0.00 H new ATOM 0 HA SER A 63 0.825 -5.577 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.670 -6.562 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.551 -7.293 0.446 1.00 0.00 H new ATOM 0 HG SER A 63 3.259 -5.670 -0.776 1.00 0.00 H new ATOM 973 N ALA A 64 1.817 -8.015 3.397 1.00 0.00 N ATOM 974 CA ALA A 64 1.408 -9.267 4.011 1.00 0.00 C ATOM 975 C ALA A 64 -0.002 -9.111 4.584 1.00 0.00 C ATOM 976 O ALA A 64 -0.879 -9.931 4.315 1.00 0.00 O ATOM 977 CB ALA A 64 2.429 -9.671 5.076 1.00 0.00 C ATOM 0 H ALA A 64 2.729 -7.671 3.696 1.00 0.00 H new ATOM 0 HA ALA A 64 1.377 -10.066 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.122 -10.610 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.408 -9.797 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.486 -8.894 5.839 1.00 0.00 H new ATOM 983 N SER A 65 -0.176 -8.054 5.364 1.00 0.00 N ATOM 984 CA SER A 65 -1.464 -7.781 5.978 1.00 0.00 C ATOM 985 C SER A 65 -2.571 -7.849 4.923 1.00 0.00 C ATOM 986 O SER A 65 -3.637 -8.411 5.172 1.00 0.00 O ATOM 987 CB SER A 65 -1.469 -6.414 6.664 1.00 0.00 C ATOM 988 OG SER A 65 -1.747 -6.517 8.058 1.00 0.00 O ATOM 0 H SER A 65 0.554 -7.377 5.585 1.00 0.00 H new ATOM 0 HA SER A 65 -1.648 -8.540 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.501 -5.934 6.522 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.215 -5.774 6.192 1.00 0.00 H new ATOM 0 HG SER A 65 -1.740 -5.623 8.460 1.00 0.00 H new ATOM 994 N LEU A 66 -2.280 -7.269 3.768 1.00 0.00 N ATOM 995 CA LEU A 66 -3.238 -7.256 2.675 1.00 0.00 C ATOM 996 C LEU A 66 -3.525 -8.694 2.239 1.00 0.00 C ATOM 997 O LEU A 66 -4.676 -9.128 2.238 1.00 0.00 O ATOM 998 CB LEU A 66 -2.744 -6.356 1.541 1.00 0.00 C ATOM 999 CG LEU A 66 -2.816 -4.850 1.800 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -4.262 -4.353 1.744 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -2.136 -4.488 3.121 1.00 0.00 C ATOM 0 H LEU A 66 -1.395 -6.805 3.565 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.185 -6.826 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.709 -6.618 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.326 -6.579 0.647 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.269 -4.340 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.285 -3.279 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.679 -4.558 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.853 -4.867 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.201 -3.412 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.633 -5.007 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.088 -4.786 3.085 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.460 -9.394 1.877 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.583 -10.774 1.440 1.00 0.00 C ATOM 1015 C LEU A 67 -3.338 -11.575 2.502 1.00 0.00 C ATOM 1016 O LEU A 67 -4.376 -12.171 2.214 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.209 -11.351 1.094 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.159 -12.861 0.850 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -0.949 -13.169 -0.634 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -0.096 -13.523 1.728 1.00 0.00 C ATOM 0 H LEU A 67 -1.507 -9.031 1.877 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.167 -10.833 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.839 -10.846 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.521 -11.111 1.905 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.122 -13.285 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.917 -14.249 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.771 -12.748 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.009 -12.730 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.081 -14.596 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.882 -13.099 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.330 -13.346 2.778 1.00 0.00 H new ATOM 1032 N SER A 68 -2.788 -11.565 3.707 1.00 0.00 N ATOM 1033 CA SER A 68 -3.397 -12.284 4.813 1.00 0.00 C ATOM 1034 C SER A 68 -4.912 -12.074 4.804 1.00 0.00 C ATOM 1035 O SER A 68 -5.673 -13.021 4.609 1.00 0.00 O ATOM 1036 CB SER A 68 -2.808 -11.836 6.152 1.00 0.00 C ATOM 1037 OG SER A 68 -2.410 -12.942 6.958 1.00 0.00 O ATOM 0 H SER A 68 -1.927 -11.070 3.942 1.00 0.00 H new ATOM 0 HA SER A 68 -3.183 -13.346 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.948 -11.191 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.545 -11.241 6.691 1.00 0.00 H new ATOM 0 HG SER A 68 -2.038 -12.614 7.803 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.306 -10.827 5.016 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.717 -10.481 5.034 1.00 0.00 C ATOM 1045 C GLU A 69 -7.462 -11.231 3.928 1.00 0.00 C ATOM 1046 O GLU A 69 -8.647 -11.531 4.066 1.00 0.00 O ATOM 1047 CB GLU A 69 -6.913 -8.969 4.898 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.561 -8.251 6.203 1.00 0.00 C ATOM 1049 CD GLU A 69 -7.820 -7.945 7.016 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -8.872 -7.732 6.376 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.702 -7.930 8.261 1.00 0.00 O ATOM 0 H GLU A 69 -4.673 -10.044 5.177 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.132 -10.784 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.288 -8.589 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.947 -8.755 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.885 -8.870 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.032 -7.324 5.981 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.737 -11.513 2.856 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.314 -12.223 1.728 1.00 0.00 C ATOM 1060 C GLY A 70 -7.628 -11.263 0.578 1.00 0.00 C ATOM 1061 O GLY A 70 -8.537 -11.511 -0.212 1.00 0.00 O ATOM 0 H GLY A 70 -5.755 -11.262 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.622 -12.992 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.226 -12.731 2.042 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.856 -10.187 0.521 1.00 0.00 N ATOM 1066 CA TYR A 71 -7.040 -9.189 -0.519 1.00 0.00 C ATOM 1067 C TYR A 71 -6.205 -9.525 -1.756 1.00 0.00 C ATOM 1068 O TYR A 71 -6.489 -9.042 -2.851 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.544 -7.868 0.073 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.519 -7.224 1.061 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.815 -6.952 0.674 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -7.101 -6.916 2.340 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.732 -6.346 1.605 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -8.018 -6.310 3.271 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.288 -6.055 2.857 1.00 0.00 C ATOM 1076 OH TYR A 71 -10.155 -5.482 3.735 1.00 0.00 O ATOM 0 H TYR A 71 -6.102 -9.985 1.178 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.085 -9.144 -0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.593 -8.042 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.350 -7.168 -0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.142 -7.193 -0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.086 -7.129 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.749 -6.128 1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.704 -6.064 4.275 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.702 -5.331 4.591 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.192 -10.352 -1.540 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.314 -10.758 -2.624 1.00 0.00 C ATOM 1088 C LEU A 72 -4.119 -12.275 -2.574 1.00 0.00 C ATOM 1089 O LEU A 72 -3.606 -12.807 -1.591 1.00 0.00 O ATOM 1090 CB LEU A 72 -3.005 -9.968 -2.578 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.142 -8.444 -2.571 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -1.872 -7.782 -2.033 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.517 -7.921 -3.959 1.00 0.00 C ATOM 0 H LEU A 72 -4.960 -10.752 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.766 -10.525 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.454 -10.268 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.400 -10.255 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.955 -8.177 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.996 -6.699 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.689 -8.121 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.025 -8.054 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.608 -6.835 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.743 -8.199 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.468 -8.356 -4.267 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.538 -12.929 -3.648 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.415 -14.374 -3.739 1.00 0.00 C ATOM 1107 C GLN A 73 -3.094 -14.753 -4.412 1.00 0.00 C ATOM 1108 O GLN A 73 -2.638 -14.065 -5.323 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.605 -14.979 -4.488 1.00 0.00 C ATOM 1110 CG GLN A 73 -6.895 -14.828 -3.680 1.00 0.00 C ATOM 1111 CD GLN A 73 -6.847 -15.674 -2.406 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.748 -16.889 -2.441 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.922 -14.966 -1.283 1.00 0.00 N ATOM 0 H GLN A 73 -4.963 -12.485 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.416 -14.784 -2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.718 -14.489 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.417 -16.034 -4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.044 -13.780 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.747 -15.130 -4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.004 -13.950 -1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.898 -15.439 -0.379 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.503 -15.876 -3.924 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.243 -16.355 -4.467 1.00 0.00 C ATOM 1124 C PRO A 74 -1.451 -17.016 -5.832 1.00 0.00 C ATOM 1125 O PRO A 74 -2.397 -17.780 -6.018 1.00 0.00 O ATOM 1126 CB PRO A 74 -0.702 -17.314 -3.420 1.00 0.00 C ATOM 1127 CG PRO A 74 -1.888 -17.692 -2.548 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.015 -16.717 -2.845 1.00 0.00 C ATOM 0 HA PRO A 74 -0.533 -15.550 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.264 -18.196 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.083 -16.844 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.203 -18.715 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.615 -17.650 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.922 -17.240 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.267 -16.124 -1.966 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.552 -16.697 -6.751 1.00 0.00 N ATOM 1137 CA ALA A 75 -0.625 -17.250 -8.093 1.00 0.00 C ATOM 1138 C ALA A 75 0.707 -17.919 -8.437 1.00 0.00 C ATOM 1139 O ALA A 75 1.479 -17.397 -9.240 1.00 0.00 O ATOM 1140 CB ALA A 75 -0.994 -16.143 -9.082 1.00 0.00 C ATOM 0 H ALA A 75 0.231 -16.063 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.402 -18.012 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.049 -16.558 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.961 -15.720 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.235 -15.361 -9.053 1.00 0.00 H new ATOM 1146 N GLY A 76 0.937 -19.065 -7.812 1.00 0.00 N ATOM 1147 CA GLY A 76 2.162 -19.811 -8.042 1.00 0.00 C ATOM 1148 C GLY A 76 2.573 -20.589 -6.790 1.00 0.00 C ATOM 1149 O GLY A 76 2.083 -20.315 -5.696 1.00 0.00 O ATOM 0 H GLY A 76 0.295 -19.495 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.021 -20.501 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.961 -19.127 -8.328 1.00 0.00 H new ATOM 1153 N ASP A 77 3.470 -21.543 -6.994 1.00 0.00 N ATOM 1154 CA ASP A 77 3.953 -22.363 -5.895 1.00 0.00 C ATOM 1155 C ASP A 77 4.721 -21.483 -4.907 1.00 0.00 C ATOM 1156 O ASP A 77 4.512 -21.573 -3.698 1.00 0.00 O ATOM 1157 CB ASP A 77 4.903 -23.451 -6.397 1.00 0.00 C ATOM 1158 CG ASP A 77 4.381 -24.882 -6.256 1.00 0.00 C ATOM 1159 OD1 ASP A 77 3.745 -25.154 -5.214 1.00 0.00 O ATOM 1160 OD2 ASP A 77 4.628 -25.672 -7.193 1.00 0.00 O ATOM 0 H ASP A 77 3.875 -21.766 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 77 3.091 -22.829 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.124 -23.263 -7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.845 -23.369 -5.854 1.00 0.00 H new ATOM 1165 N LEU A 78 5.593 -20.652 -5.458 1.00 0.00 N ATOM 1166 CA LEU A 78 6.393 -19.756 -4.640 1.00 0.00 C ATOM 1167 C LEU A 78 5.488 -19.054 -3.625 1.00 0.00 C ATOM 1168 O LEU A 78 5.661 -19.217 -2.418 1.00 0.00 O ATOM 1169 CB LEU A 78 7.190 -18.793 -5.523 1.00 0.00 C ATOM 1170 CG LEU A 78 8.545 -18.344 -4.972 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.513 -18.003 -6.107 1.00 0.00 C ATOM 1172 CD2 LEU A 78 8.380 -17.182 -3.990 1.00 0.00 C ATOM 0 H LEU A 78 5.763 -20.580 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 78 7.134 -20.318 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.353 -19.268 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.581 -17.907 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 78 8.980 -19.175 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.468 -17.687 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.665 -18.883 -6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.097 -17.196 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.358 -16.882 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.913 -16.339 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.751 -17.496 -3.157 1.00 0.00 H new ATOM 1184 N SER A 79 4.544 -18.290 -4.152 1.00 0.00 N ATOM 1185 CA SER A 79 3.612 -17.562 -3.307 1.00 0.00 C ATOM 1186 C SER A 79 2.904 -18.529 -2.355 1.00 0.00 C ATOM 1187 O SER A 79 2.913 -18.329 -1.142 1.00 0.00 O ATOM 1188 CB SER A 79 2.585 -16.800 -4.148 1.00 0.00 C ATOM 1189 OG SER A 79 1.791 -17.675 -4.944 1.00 0.00 O ATOM 0 H SER A 79 4.404 -18.159 -5.154 1.00 0.00 H new ATOM 0 HA SER A 79 4.176 -16.834 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.937 -16.220 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.101 -16.090 -4.794 1.00 0.00 H new ATOM 0 HG SER A 79 1.782 -17.356 -5.871 1.00 0.00 H new ATOM 1195 N LYS A 80 2.309 -19.557 -2.942 1.00 0.00 N ATOM 1196 CA LYS A 80 1.599 -20.556 -2.161 1.00 0.00 C ATOM 1197 C LYS A 80 2.397 -20.869 -0.894 1.00 0.00 C ATOM 1198 O LYS A 80 1.973 -20.532 0.210 1.00 0.00 O ATOM 1199 CB LYS A 80 1.294 -21.788 -3.016 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.041 -21.630 -3.748 1.00 0.00 C ATOM 1201 CD LYS A 80 -0.271 -22.787 -4.722 1.00 0.00 C ATOM 1202 CE LYS A 80 -1.173 -23.856 -4.102 1.00 0.00 C ATOM 1203 NZ LYS A 80 -0.570 -25.198 -4.258 1.00 0.00 N ATOM 0 H LYS A 80 2.304 -19.720 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 80 0.631 -20.171 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.094 -21.940 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.264 -22.675 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.855 -21.592 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.053 -20.685 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.725 -22.410 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.686 -23.230 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.327 -23.641 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.153 -23.834 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.195 -25.911 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.445 -25.407 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.355 -25.220 -3.783 1.00 0.00 H new ATOM 1217 N ASN A 81 3.539 -21.510 -1.096 1.00 0.00 N ATOM 1218 CA ASN A 81 4.401 -21.873 0.016 1.00 0.00 C ATOM 1219 C ASN A 81 4.500 -20.692 0.984 1.00 0.00 C ATOM 1220 O ASN A 81 4.354 -20.862 2.194 1.00 0.00 O ATOM 1221 CB ASN A 81 5.813 -22.208 -0.467 1.00 0.00 C ATOM 1222 CG ASN A 81 5.944 -23.700 -0.782 1.00 0.00 C ATOM 1223 OD1 ASN A 81 5.893 -24.126 -1.924 1.00 0.00 O ATOM 1224 ND2 ASN A 81 6.117 -24.466 0.291 1.00 0.00 N ATOM 0 H ASN A 81 3.887 -21.787 -2.014 1.00 0.00 H new ATOM 0 HA ASN A 81 3.971 -22.747 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.045 -21.623 -1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.539 -21.929 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.216 -25.476 0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.150 -24.044 1.219 1.00 0.00 H new ATOM 1231 N ALA A 82 4.750 -19.521 0.416 1.00 0.00 N ATOM 1232 CA ALA A 82 4.871 -18.313 1.213 1.00 0.00 C ATOM 1233 C ALA A 82 3.718 -18.252 2.217 1.00 0.00 C ATOM 1234 O ALA A 82 3.945 -18.151 3.422 1.00 0.00 O ATOM 1235 CB ALA A 82 4.905 -17.093 0.290 1.00 0.00 C ATOM 0 H ALA A 82 4.872 -19.384 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 82 5.802 -18.319 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.996 -16.186 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.758 -17.170 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.985 -17.052 -0.293 1.00 0.00 H new ATOM 1241 N ALA A 83 2.507 -18.315 1.684 1.00 0.00 N ATOM 1242 CA ALA A 83 1.319 -18.268 2.519 1.00 0.00 C ATOM 1243 C ALA A 83 0.889 -19.695 2.867 1.00 0.00 C ATOM 1244 O ALA A 83 -0.252 -20.081 2.619 1.00 0.00 O ATOM 1245 CB ALA A 83 0.218 -17.488 1.797 1.00 0.00 C ATOM 0 H ALA A 83 2.323 -18.398 0.684 1.00 0.00 H new ATOM 0 HA ALA A 83 1.528 -17.748 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.673 -17.453 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.562 -16.473 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.020 -17.982 0.855 1.00 0.00 H new ATOM 1251 N ASP A 84 1.826 -20.438 3.437 1.00 0.00 N ATOM 1252 CA ASP A 84 1.558 -21.814 3.822 1.00 0.00 C ATOM 1253 C ASP A 84 2.166 -22.080 5.201 1.00 0.00 C ATOM 1254 O ASP A 84 1.450 -22.404 6.147 1.00 0.00 O ATOM 1255 CB ASP A 84 2.186 -22.795 2.831 1.00 0.00 C ATOM 1256 CG ASP A 84 1.360 -24.053 2.555 1.00 0.00 C ATOM 1257 OD1 ASP A 84 0.215 -24.100 3.054 1.00 0.00 O ATOM 1258 OD2 ASP A 84 1.892 -24.939 1.851 1.00 0.00 O ATOM 0 H ASP A 84 2.771 -20.114 3.642 1.00 0.00 H new ATOM 0 HA ASP A 84 0.477 -21.957 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.356 -22.276 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.163 -23.096 3.210 1.00 0.00 H new ATOM 1263 N GLY A 85 3.481 -21.934 5.271 1.00 0.00 N ATOM 1264 CA GLY A 85 4.194 -22.155 6.518 1.00 0.00 C ATOM 1265 C GLY A 85 5.695 -21.917 6.341 1.00 0.00 C ATOM 1266 O GLY A 85 6.512 -22.635 6.915 1.00 0.00 O ATOM 0 H GLY A 85 4.072 -21.665 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.805 -21.488 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.022 -23.174 6.864 1.00 0.00 H new ATOM 1270 N ILE A 86 6.012 -20.907 5.544 1.00 0.00 N ATOM 1271 CA ILE A 86 7.400 -20.565 5.285 1.00 0.00 C ATOM 1272 C ILE A 86 8.013 -19.949 6.544 1.00 0.00 C ATOM 1273 O ILE A 86 8.924 -20.522 7.140 1.00 0.00 O ATOM 1274 CB ILE A 86 7.510 -19.673 4.047 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.537 -20.511 2.768 1.00 0.00 C ATOM 1276 CG2 ILE A 86 8.720 -18.742 4.148 1.00 0.00 C ATOM 1277 CD1 ILE A 86 8.830 -21.323 2.671 1.00 0.00 C ATOM 0 H ILE A 86 5.331 -20.314 5.069 1.00 0.00 H new ATOM 0 HA ILE A 86 7.977 -21.461 5.056 1.00 0.00 H new ATOM 0 HB ILE A 86 6.622 -19.043 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.679 -21.183 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.447 -19.858 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.775 -18.119 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.618 -18.107 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.630 -19.336 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.823 -21.910 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.685 -20.647 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.905 -21.992 3.528 1.00 0.00 H new ATOM 1289 N ALA A 87 7.488 -18.790 6.912 1.00 0.00 N ATOM 1290 CA ALA A 87 7.972 -18.089 8.090 1.00 0.00 C ATOM 1291 C ALA A 87 6.848 -17.222 8.660 1.00 0.00 C ATOM 1292 O ALA A 87 5.682 -17.611 8.628 1.00 0.00 O ATOM 1293 CB ALA A 87 9.212 -17.271 7.724 1.00 0.00 C ATOM 0 H ALA A 87 6.732 -18.318 6.416 1.00 0.00 H new ATOM 0 HA ALA A 87 8.266 -18.797 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.575 -16.745 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.991 -17.937 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.955 -16.547 6.951 1.00 0.00 H new ATOM 1299 N GLU A 88 7.239 -16.062 9.168 1.00 0.00 N ATOM 1300 CA GLU A 88 6.278 -15.136 9.744 1.00 0.00 C ATOM 1301 C GLU A 88 5.882 -14.074 8.716 1.00 0.00 C ATOM 1302 O GLU A 88 5.220 -13.094 9.054 1.00 0.00 O ATOM 1303 CB GLU A 88 6.835 -14.489 11.014 1.00 0.00 C ATOM 1304 CG GLU A 88 5.867 -14.662 12.186 1.00 0.00 C ATOM 1305 CD GLU A 88 6.026 -13.527 13.200 1.00 0.00 C ATOM 1306 OE1 GLU A 88 7.137 -13.420 13.763 1.00 0.00 O ATOM 1307 OE2 GLU A 88 5.033 -12.792 13.390 1.00 0.00 O ATOM 0 H GLU A 88 8.207 -15.742 9.193 1.00 0.00 H new ATOM 0 HA GLU A 88 5.385 -15.695 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.797 -14.937 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.013 -13.428 10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.842 -14.683 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.049 -15.619 12.675 1.00 0.00 H new ATOM 1314 N ASN A 89 6.304 -14.305 7.481 1.00 0.00 N ATOM 1315 CA ASN A 89 6.002 -13.381 6.402 1.00 0.00 C ATOM 1316 C ASN A 89 5.525 -14.168 5.180 1.00 0.00 C ATOM 1317 O ASN A 89 6.317 -14.843 4.524 1.00 0.00 O ATOM 1318 CB ASN A 89 7.243 -12.583 5.995 1.00 0.00 C ATOM 1319 CG ASN A 89 7.578 -11.519 7.042 1.00 0.00 C ATOM 1320 OD1 ASN A 89 8.289 -11.759 8.004 1.00 0.00 O ATOM 1321 ND2 ASN A 89 7.027 -10.332 6.802 1.00 0.00 N ATOM 0 H ASN A 89 6.853 -15.119 7.204 1.00 0.00 H new ATOM 0 HA ASN A 89 5.231 -12.695 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.090 -13.258 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.073 -12.107 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.190 -9.555 7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.442 -10.199 5.977 1.00 0.00 H new ATOM 1328 N PRO A 90 4.198 -14.054 4.905 1.00 0.00 N ATOM 1329 CA PRO A 90 3.606 -14.747 3.773 1.00 0.00 C ATOM 1330 C PRO A 90 3.974 -14.061 2.456 1.00 0.00 C ATOM 1331 O PRO A 90 4.213 -14.728 1.451 1.00 0.00 O ATOM 1332 CB PRO A 90 2.111 -14.743 4.048 1.00 0.00 C ATOM 1333 CG PRO A 90 1.879 -13.650 5.078 1.00 0.00 C ATOM 1334 CD PRO A 90 3.230 -13.264 5.660 1.00 0.00 C ATOM 0 HA PRO A 90 3.975 -15.767 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.547 -14.546 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.781 -15.711 4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.401 -12.786 4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.211 -14.002 5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.418 -12.196 5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.281 -13.488 6.725 1.00 0.00 H new ATOM 1342 N PHE A 91 4.008 -12.738 2.504 1.00 0.00 N ATOM 1343 CA PHE A 91 4.343 -11.954 1.327 1.00 0.00 C ATOM 1344 C PHE A 91 5.848 -11.989 1.056 1.00 0.00 C ATOM 1345 O PHE A 91 6.652 -11.942 1.986 1.00 0.00 O ATOM 1346 CB PHE A 91 3.922 -10.512 1.616 1.00 0.00 C ATOM 1347 CG PHE A 91 3.445 -9.744 0.381 1.00 0.00 C ATOM 1348 CD1 PHE A 91 2.199 -9.964 -0.117 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.268 -8.843 -0.219 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.757 -9.251 -1.264 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.826 -8.130 -1.365 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.580 -8.350 -1.863 1.00 0.00 C ATOM 0 H PHE A 91 3.809 -12.188 3.340 1.00 0.00 H new ATOM 0 HA PHE A 91 3.834 -12.359 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.123 -10.519 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.764 -9.980 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.546 -10.680 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.258 -8.670 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.767 -9.425 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.479 -7.413 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.244 -7.809 -2.735 1.00 0.00 H new ATOM 1362 N LEU A 92 6.185 -12.071 -0.223 1.00 0.00 N ATOM 1363 CA LEU A 92 7.579 -12.113 -0.629 1.00 0.00 C ATOM 1364 C LEU A 92 7.858 -10.963 -1.599 1.00 0.00 C ATOM 1365 O LEU A 92 7.343 -10.949 -2.716 1.00 0.00 O ATOM 1366 CB LEU A 92 7.933 -13.491 -1.191 1.00 0.00 C ATOM 1367 CG LEU A 92 7.881 -14.654 -0.198 1.00 0.00 C ATOM 1368 CD1 LEU A 92 7.828 -15.997 -0.929 1.00 0.00 C ATOM 1369 CD2 LEU A 92 9.048 -14.584 0.790 1.00 0.00 C ATOM 0 H LEU A 92 5.516 -12.109 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 92 8.231 -11.969 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.253 -13.711 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.937 -13.443 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 92 6.962 -14.567 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.792 -16.807 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.938 -16.034 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.716 -16.108 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.987 -15.422 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.990 -14.633 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.999 -13.648 1.346 1.00 0.00 H new ATOM 1381 N ASP A 93 8.673 -10.025 -1.137 1.00 0.00 N ATOM 1382 CA ASP A 93 9.026 -8.874 -1.950 1.00 0.00 C ATOM 1383 C ASP A 93 9.902 -9.330 -3.118 1.00 0.00 C ATOM 1384 O ASP A 93 11.086 -9.002 -3.176 1.00 0.00 O ATOM 1385 CB ASP A 93 9.818 -7.848 -1.137 1.00 0.00 C ATOM 1386 CG ASP A 93 10.488 -6.748 -1.962 1.00 0.00 C ATOM 1387 OD1 ASP A 93 10.097 -6.604 -3.140 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.376 -6.074 -1.395 1.00 0.00 O ATOM 0 H ASP A 93 9.099 -10.039 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 93 8.103 -8.417 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.147 -7.382 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.585 -8.372 -0.567 1.00 0.00 H new ATOM 1393 N SER A 94 9.286 -10.079 -4.021 1.00 0.00 N ATOM 1394 CA SER A 94 9.995 -10.583 -5.185 1.00 0.00 C ATOM 1395 C SER A 94 9.140 -10.396 -6.440 1.00 0.00 C ATOM 1396 O SER A 94 7.914 -10.473 -6.377 1.00 0.00 O ATOM 1397 CB SER A 94 10.364 -12.058 -5.009 1.00 0.00 C ATOM 1398 OG SER A 94 11.556 -12.397 -5.712 1.00 0.00 O ATOM 0 H SER A 94 8.304 -10.349 -3.970 1.00 0.00 H new ATOM 0 HA SER A 94 10.919 -10.016 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.494 -12.275 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.544 -12.682 -5.364 1.00 0.00 H new ATOM 0 HG SER A 94 11.759 -13.346 -5.573 1.00 0.00 H new ATOM 1404 N PRO A 95 9.839 -10.148 -7.580 1.00 0.00 N ATOM 1405 CA PRO A 95 9.157 -9.949 -8.847 1.00 0.00 C ATOM 1406 C PRO A 95 8.646 -11.278 -9.409 1.00 0.00 C ATOM 1407 O PRO A 95 7.861 -11.294 -10.356 1.00 0.00 O ATOM 1408 CB PRO A 95 10.185 -9.281 -9.746 1.00 0.00 C ATOM 1409 CG PRO A 95 11.537 -9.550 -9.105 1.00 0.00 C ATOM 1410 CD PRO A 95 11.292 -10.050 -7.691 1.00 0.00 C ATOM 0 HA PRO A 95 8.266 -9.328 -8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.144 -9.688 -10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.997 -8.210 -9.826 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.092 -10.291 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.139 -8.642 -9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.768 -11.016 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.700 -9.362 -6.951 1.00 0.00 H new ATOM 1418 N ASP A 96 9.113 -12.359 -8.802 1.00 0.00 N ATOM 1419 CA ASP A 96 8.713 -13.689 -9.229 1.00 0.00 C ATOM 1420 C ASP A 96 7.346 -14.023 -8.629 1.00 0.00 C ATOM 1421 O ASP A 96 6.473 -14.548 -9.318 1.00 0.00 O ATOM 1422 CB ASP A 96 9.711 -14.745 -8.751 1.00 0.00 C ATOM 1423 CG ASP A 96 10.809 -15.099 -9.755 1.00 0.00 C ATOM 1424 OD1 ASP A 96 10.456 -15.283 -10.940 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.976 -15.178 -9.316 1.00 0.00 O ATOM 0 H ASP A 96 9.765 -12.341 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 96 8.676 -13.696 -10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.180 -14.391 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.163 -15.653 -8.499 1.00 0.00 H new ATOM 1430 N ALA A 97 7.203 -13.706 -7.350 1.00 0.00 N ATOM 1431 CA ALA A 97 5.958 -13.966 -6.649 1.00 0.00 C ATOM 1432 C ALA A 97 4.851 -13.090 -7.241 1.00 0.00 C ATOM 1433 O ALA A 97 4.966 -11.866 -7.256 1.00 0.00 O ATOM 1434 CB ALA A 97 6.154 -13.724 -5.151 1.00 0.00 C ATOM 0 H ALA A 97 7.930 -13.271 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 97 5.658 -15.006 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.219 -13.919 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.929 -14.391 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.454 -12.689 -4.986 1.00 0.00 H new ATOM 1440 N PHE A 98 3.806 -13.752 -7.714 1.00 0.00 N ATOM 1441 CA PHE A 98 2.680 -13.049 -8.305 1.00 0.00 C ATOM 1442 C PHE A 98 1.426 -13.195 -7.440 1.00 0.00 C ATOM 1443 O PHE A 98 1.267 -14.191 -6.735 1.00 0.00 O ATOM 1444 CB PHE A 98 2.420 -13.689 -9.670 1.00 0.00 C ATOM 1445 CG PHE A 98 3.630 -13.670 -10.607 1.00 0.00 C ATOM 1446 CD1 PHE A 98 3.995 -12.514 -11.223 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.341 -14.810 -10.822 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.118 -12.497 -12.092 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.464 -14.792 -11.691 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.829 -13.636 -12.308 1.00 0.00 C ATOM 0 H PHE A 98 3.715 -14.768 -7.700 1.00 0.00 H new ATOM 0 HA PHE A 98 2.908 -11.987 -8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.105 -14.722 -9.521 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.592 -13.169 -10.152 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.431 -11.609 -11.051 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.051 -15.728 -10.332 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.408 -11.579 -12.582 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.029 -15.697 -11.862 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.683 -13.623 -12.969 1.00 0.00 H new ATOM 1460 N TYR A 99 0.569 -12.189 -7.522 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.665 -12.193 -6.755 1.00 0.00 C ATOM 1462 C TYR A 99 -1.791 -11.499 -7.525 1.00 0.00 C ATOM 1463 O TYR A 99 -1.544 -10.839 -8.533 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.372 -11.401 -5.480 1.00 0.00 C ATOM 1465 CG TYR A 99 0.593 -12.101 -4.520 1.00 0.00 C ATOM 1466 CD1 TYR A 99 0.207 -13.260 -3.879 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.848 -11.573 -4.297 1.00 0.00 C ATOM 1468 CE1 TYR A 99 1.115 -13.920 -2.976 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.756 -12.232 -3.394 1.00 0.00 C ATOM 1470 CZ TYR A 99 2.344 -13.373 -2.778 1.00 0.00 C ATOM 1471 OH TYR A 99 3.201 -13.996 -1.925 1.00 0.00 O ATOM 0 H TYR A 99 0.704 -11.365 -8.108 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.985 -13.214 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.044 -10.432 -5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.311 -11.209 -4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.776 -13.672 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.149 -10.666 -4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.826 -14.828 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.741 -11.830 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 99 4.042 -13.494 -1.882 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.004 -11.671 -7.019 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.168 -11.069 -7.646 1.00 0.00 C ATOM 1483 C TYR A 100 -5.330 -10.961 -6.657 1.00 0.00 C ATOM 1484 O TYR A 100 -5.338 -11.635 -5.627 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.568 -12.011 -8.784 1.00 0.00 C ATOM 1486 CG TYR A 100 -4.970 -13.412 -8.319 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -3.999 -14.322 -7.951 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.303 -13.766 -8.267 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.377 -15.641 -7.514 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -6.681 -15.085 -7.830 1.00 0.00 C ATOM 1491 CZ TYR A 100 -5.700 -15.957 -7.474 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.057 -17.203 -7.061 1.00 0.00 O ATOM 0 H TYR A 100 -3.205 -12.219 -6.182 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.938 -10.063 -7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.400 -11.569 -9.333 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.735 -12.096 -9.482 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -2.956 -14.045 -7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.062 -13.054 -8.554 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.628 -16.363 -7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.720 -15.375 -7.786 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.033 -17.287 -7.082 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.283 -10.109 -7.003 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.447 -9.904 -6.157 1.00 0.00 C ATOM 1504 C PHE A 101 -8.480 -11.012 -6.370 1.00 0.00 C ATOM 1505 O PHE A 101 -8.672 -11.481 -7.491 1.00 0.00 O ATOM 1506 CB PHE A 101 -8.064 -8.564 -6.562 1.00 0.00 C ATOM 1507 CG PHE A 101 -7.041 -7.445 -6.768 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -6.299 -7.000 -5.719 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.873 -6.895 -8.001 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -5.349 -5.962 -5.910 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.923 -5.857 -8.192 1.00 0.00 C ATOM 1512 CZ PHE A 101 -5.182 -5.412 -7.142 1.00 0.00 C ATOM 0 H PHE A 101 -6.273 -9.552 -7.858 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.151 -9.915 -5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.629 -8.700 -7.484 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.775 -8.256 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.432 -7.436 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.462 -7.248 -8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.759 -5.610 -5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.789 -5.421 -9.171 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.461 -4.621 -7.287 1.00 0.00 H new ATOM 1522 N PRO A 102 -9.136 -11.410 -5.246 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.145 -12.454 -5.299 1.00 0.00 C ATOM 1524 C PRO A 102 -11.444 -11.931 -5.913 1.00 0.00 C ATOM 1525 O PRO A 102 -12.447 -11.777 -5.217 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.311 -12.912 -3.859 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.737 -11.799 -2.998 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.935 -10.878 -3.902 1.00 0.00 C ATOM 0 HA PRO A 102 -9.855 -13.288 -5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.361 -13.086 -3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.785 -13.851 -3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.537 -11.247 -2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.102 -12.212 -2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.284 -9.848 -3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.879 -10.877 -3.630 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.385 -11.672 -7.211 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.545 -11.169 -7.928 1.00 0.00 C ATOM 1538 C ASP A 103 -12.210 -11.058 -9.417 1.00 0.00 C ATOM 1539 O ASP A 103 -13.044 -11.364 -10.268 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.941 -9.778 -7.427 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.339 -9.315 -7.844 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -15.310 -9.881 -7.299 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -14.403 -8.405 -8.699 1.00 0.00 O ATOM 0 H ASP A 103 -10.552 -11.801 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.371 -11.861 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.881 -9.770 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.211 -9.055 -7.792 1.00 0.00 H new ATOM 1548 N SER A 104 -10.989 -10.619 -9.685 1.00 0.00 N ATOM 1549 CA SER A 104 -10.535 -10.464 -11.057 1.00 0.00 C ATOM 1550 C SER A 104 -9.662 -11.656 -11.456 1.00 0.00 C ATOM 1551 O SER A 104 -10.064 -12.475 -12.281 1.00 0.00 O ATOM 1552 CB SER A 104 -9.761 -9.156 -11.236 1.00 0.00 C ATOM 1553 OG SER A 104 -10.567 -8.136 -11.820 1.00 0.00 O ATOM 0 H SER A 104 -10.301 -10.366 -8.976 1.00 0.00 H new ATOM 0 HA SER A 104 -11.410 -10.429 -11.706 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.392 -8.817 -10.268 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.889 -9.334 -11.865 1.00 0.00 H new ATOM 0 HG SER A 104 -10.038 -7.316 -11.916 1.00 0.00 H new