USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 669 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 120 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-11!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0355 USER MOD Single : A 45 TYR OH : rot 166:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= 1.21 (180deg=-0.325) USER MOD Single : A 53 MET CE :methyl -161:sc= 0 (180deg=-0.216) USER MOD Single : A 58 GLN : amide:sc= -0.02 K(o=-0.02,f=-0.95) USER MOD Single : A 65 MET CE :methyl -155:sc= -0.206 (180deg=-0.949) USER MOD Single : A 67 MET CE :methyl -170:sc=-0.00592 (180deg=-0.116) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 78:sc= 0.129 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 63:sc= 1.24 USER MOD Single : A 107 GLN : amide:sc= -0.393 K(o=-0.39,f=-7.2!) USER MOD Single : A 112 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.045) USER MOD Single : A 117 LYS NZ :NH3+ -156:sc= 0.12 (180deg=-0.0453) USER MOD Single : A 119 ASN :FLIP amide:sc=-0.00612 F(o=-0.7,f=-0.0061) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.967 -11.222 0.540 1.00 0.00 N ATOM 101 CA LEU A 36 2.572 -11.339 0.154 1.00 0.00 C ATOM 102 C LEU A 36 2.132 -10.070 -0.572 1.00 0.00 C ATOM 103 O LEU A 36 2.867 -9.088 -0.695 1.00 0.00 O ATOM 104 CB LEU A 36 1.718 -11.649 1.404 1.00 0.00 C ATOM 105 CG LEU A 36 1.788 -10.615 2.540 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.181 -9.253 2.201 1.00 0.00 C ATOM 107 CD2 LEU A 36 1.133 -11.242 3.776 1.00 0.00 C ATOM 0 HA LEU A 36 2.433 -12.166 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.678 -11.749 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.027 -12.616 1.800 1.00 0.00 H new ATOM 0 HG LEU A 36 2.837 -10.385 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.275 -8.589 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.707 -8.822 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.127 -9.376 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.165 -10.534 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.096 -11.491 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.672 -12.148 4.053 1.00 0.00 H new ATOM 119 N PHE A 37 0.885 -10.083 -1.017 1.00 0.00 N ATOM 120 CA PHE A 37 0.209 -8.944 -1.616 1.00 0.00 C ATOM 121 C PHE A 37 -1.294 -9.155 -1.498 1.00 0.00 C ATOM 122 O PHE A 37 -1.744 -10.300 -1.582 1.00 0.00 O ATOM 123 CB PHE A 37 0.609 -8.828 -3.093 1.00 0.00 C ATOM 124 CG PHE A 37 0.375 -7.444 -3.651 1.00 0.00 C ATOM 125 CD1 PHE A 37 1.340 -6.447 -3.426 1.00 0.00 C ATOM 126 CD2 PHE A 37 -0.807 -7.138 -4.355 1.00 0.00 C ATOM 127 CE1 PHE A 37 1.137 -5.148 -3.906 1.00 0.00 C ATOM 128 CE2 PHE A 37 -0.994 -5.844 -4.870 1.00 0.00 C ATOM 129 CZ PHE A 37 -0.017 -4.861 -4.655 1.00 0.00 C ATOM 0 H PHE A 37 0.297 -10.915 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 37 0.493 -8.025 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.662 -9.086 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.041 -9.552 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.242 -6.684 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.565 -7.894 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.861 -4.373 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.887 -5.607 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.153 -3.873 -5.069 1.00 0.00 H new ATOM 139 N TYR A 38 -2.055 -8.076 -1.342 1.00 0.00 N ATOM 140 CA TYR A 38 -3.511 -8.052 -1.312 1.00 0.00 C ATOM 141 C TYR A 38 -4.006 -6.904 -2.195 1.00 0.00 C ATOM 142 O TYR A 38 -3.223 -6.053 -2.619 1.00 0.00 O ATOM 143 CB TYR A 38 -4.000 -7.845 0.129 1.00 0.00 C ATOM 144 CG TYR A 38 -3.700 -8.975 1.092 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.476 -9.000 1.786 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.644 -9.996 1.299 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.154 -10.074 2.637 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.328 -11.073 2.139 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.073 -11.144 2.783 1.00 0.00 C ATOM 150 OH TYR A 38 -2.802 -12.257 3.523 1.00 0.00 O ATOM 0 H TYR A 38 -1.650 -7.147 -1.227 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.901 -8.999 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.551 -6.931 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.078 -7.686 0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.776 -8.186 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.608 -9.951 0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.217 -10.083 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.053 -11.858 2.296 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.569 -12.866 3.491 1.00 0.00 H new ATOM 160 N THR A 39 -5.314 -6.816 -2.402 1.00 0.00 N ATOM 161 CA THR A 39 -5.971 -5.723 -3.101 1.00 0.00 C ATOM 162 C THR A 39 -7.174 -5.250 -2.257 1.00 0.00 C ATOM 163 O THR A 39 -7.507 -5.904 -1.257 1.00 0.00 O ATOM 164 CB THR A 39 -6.356 -6.198 -4.523 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.570 -6.906 -4.430 1.00 0.00 O ATOM 166 CG2 THR A 39 -5.324 -7.075 -5.242 1.00 0.00 C ATOM 0 H THR A 39 -5.967 -7.529 -2.076 1.00 0.00 H new ATOM 0 HA THR A 39 -5.312 -4.863 -3.225 1.00 0.00 H new ATOM 0 HB THR A 39 -6.426 -5.295 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.837 -7.217 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.701 -7.347 -6.228 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.390 -6.523 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.146 -7.979 -4.660 1.00 0.00 H new ATOM 174 N PRO A 40 -7.857 -4.143 -2.616 1.00 0.00 N ATOM 175 CA PRO A 40 -9.083 -3.757 -1.949 1.00 0.00 C ATOM 176 C PRO A 40 -10.130 -4.869 -2.097 1.00 0.00 C ATOM 177 O PRO A 40 -10.813 -5.183 -1.126 1.00 0.00 O ATOM 178 CB PRO A 40 -9.509 -2.417 -2.562 1.00 0.00 C ATOM 179 CG PRO A 40 -8.693 -2.221 -3.825 1.00 0.00 C ATOM 180 CD PRO A 40 -7.599 -3.277 -3.749 1.00 0.00 C ATOM 0 HA PRO A 40 -8.956 -3.625 -0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.575 -2.420 -2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.335 -1.601 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.307 -2.351 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.271 -1.217 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.573 -3.860 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.624 -2.802 -3.645 1.00 0.00 H new ATOM 188 N GLY A 41 -10.186 -5.549 -3.244 1.00 0.00 N ATOM 189 CA GLY A 41 -11.074 -6.676 -3.477 1.00 0.00 C ATOM 190 C GLY A 41 -10.636 -7.977 -2.813 1.00 0.00 C ATOM 191 O GLY A 41 -11.199 -9.017 -3.144 1.00 0.00 O ATOM 0 H GLY A 41 -9.602 -5.323 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.070 -6.417 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.156 -6.841 -4.551 1.00 0.00 H new ATOM 195 N GLU A 42 -9.641 -7.968 -1.923 1.00 0.00 N ATOM 196 CA GLU A 42 -9.132 -9.180 -1.291 1.00 0.00 C ATOM 197 C GLU A 42 -9.039 -9.059 0.222 1.00 0.00 C ATOM 198 O GLU A 42 -9.153 -10.074 0.906 1.00 0.00 O ATOM 199 CB GLU A 42 -7.734 -9.496 -1.810 1.00 0.00 C ATOM 200 CG GLU A 42 -7.704 -10.113 -3.205 1.00 0.00 C ATOM 201 CD GLU A 42 -6.344 -10.763 -3.399 1.00 0.00 C ATOM 202 OE1 GLU A 42 -5.288 -10.095 -3.367 1.00 0.00 O ATOM 203 OE2 GLU A 42 -6.292 -12.007 -3.363 1.00 0.00 O ATOM 0 H GLU A 42 -9.167 -7.117 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.840 -9.971 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.147 -8.578 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.247 -10.178 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.499 -10.851 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.874 -9.349 -3.964 1.00 0.00 H new ATOM 210 N ILE A 43 -8.792 -7.865 0.766 1.00 0.00 N ATOM 211 CA ILE A 43 -8.713 -7.721 2.213 1.00 0.00 C ATOM 212 C ILE A 43 -10.119 -7.929 2.788 1.00 0.00 C ATOM 213 O ILE A 43 -10.324 -8.835 3.588 1.00 0.00 O ATOM 214 CB ILE A 43 -8.007 -6.399 2.602 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.548 -6.445 2.062 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.075 -6.216 4.129 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.513 -5.597 2.801 1.00 0.00 C ATOM 0 H ILE A 43 -8.647 -7.005 0.237 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.079 -8.483 2.665 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.501 -5.535 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.212 -7.482 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.562 -6.131 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.579 -5.286 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.118 -6.179 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.577 -7.053 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.539 -5.717 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.808 -4.548 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.453 -5.920 3.840 1.00 0.00 H new ATOM 229 N LEU A 44 -11.090 -7.122 2.360 1.00 0.00 N ATOM 230 CA LEU A 44 -12.472 -7.189 2.837 1.00 0.00 C ATOM 231 C LEU A 44 -13.156 -8.435 2.285 1.00 0.00 C ATOM 232 O LEU A 44 -13.793 -9.154 3.051 1.00 0.00 O ATOM 233 CB LEU A 44 -13.310 -5.920 2.525 1.00 0.00 C ATOM 234 CG LEU A 44 -12.801 -5.057 1.361 1.00 0.00 C ATOM 235 CD1 LEU A 44 -13.885 -4.213 0.674 1.00 0.00 C ATOM 236 CD2 LEU A 44 -11.647 -4.171 1.880 1.00 0.00 C ATOM 0 H LEU A 44 -10.937 -6.393 1.663 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.418 -7.245 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.333 -6.227 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.348 -5.302 3.422 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.451 -5.734 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.438 -3.635 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.655 -4.870 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.332 -3.534 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.271 -3.550 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.012 -3.533 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.842 -4.804 2.254 1.00 0.00 H new ATOM 248 N TYR A 45 -13.071 -8.681 0.975 1.00 0.00 N ATOM 249 CA TYR A 45 -13.842 -9.754 0.343 1.00 0.00 C ATOM 250 C TYR A 45 -13.175 -11.130 0.473 1.00 0.00 C ATOM 251 O TYR A 45 -13.786 -12.143 0.124 1.00 0.00 O ATOM 252 CB TYR A 45 -14.071 -9.420 -1.133 1.00 0.00 C ATOM 253 CG TYR A 45 -14.712 -8.080 -1.461 1.00 0.00 C ATOM 254 CD1 TYR A 45 -15.415 -7.312 -0.507 1.00 0.00 C ATOM 255 CD2 TYR A 45 -14.660 -7.636 -2.792 1.00 0.00 C ATOM 256 CE1 TYR A 45 -16.055 -6.118 -0.887 1.00 0.00 C ATOM 257 CE2 TYR A 45 -15.303 -6.450 -3.173 1.00 0.00 C ATOM 258 CZ TYR A 45 -15.977 -5.665 -2.219 1.00 0.00 C ATOM 259 OH TYR A 45 -16.589 -4.513 -2.589 1.00 0.00 O ATOM 0 H TYR A 45 -12.478 -8.154 0.334 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.795 -9.818 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.108 -9.465 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.694 -10.205 -1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.462 -7.643 0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.120 -8.213 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.608 -5.547 -0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.281 -6.136 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.257 -4.234 -3.468 1.00 0.00 H new ATOM 269 N GLY A 46 -11.949 -11.193 0.988 1.00 0.00 N ATOM 270 CA GLY A 46 -11.198 -12.426 1.094 1.00 0.00 C ATOM 271 C GLY A 46 -10.374 -12.658 -0.169 1.00 0.00 C ATOM 272 O GLY A 46 -10.870 -12.567 -1.292 1.00 0.00 O ATOM 0 H GLY A 46 -11.451 -10.378 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.540 -12.385 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.880 -13.262 1.250 1.00 0.00 H new ATOM 276 N LYS A 47 -9.100 -12.984 0.048 1.00 0.00 N ATOM 277 CA LYS A 47 -8.075 -13.332 -0.932 1.00 0.00 C ATOM 278 C LYS A 47 -8.597 -14.165 -2.090 1.00 0.00 C ATOM 279 O LYS A 47 -9.100 -15.254 -1.847 1.00 0.00 O ATOM 280 CB LYS A 47 -6.945 -14.077 -0.201 1.00 0.00 C ATOM 281 CG LYS A 47 -5.631 -14.113 -0.983 1.00 0.00 C ATOM 282 CD LYS A 47 -4.815 -12.899 -0.570 1.00 0.00 C ATOM 283 CE LYS A 47 -3.501 -12.739 -1.317 1.00 0.00 C ATOM 284 NZ LYS A 47 -3.690 -12.358 -2.730 1.00 0.00 N ATOM 0 H LYS A 47 -8.728 -13.013 0.997 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.713 -12.406 -1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.771 -13.600 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.266 -15.099 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.084 -15.032 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.824 -14.098 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.417 -12.003 -0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.606 -12.964 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.895 -11.982 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.945 -13.675 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.019 -12.886 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.662 -12.582 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.522 -11.338 -2.840 1.00 0.00 H new ATOM 385 N MET A 53 -8.100 -14.413 5.108 1.00 0.00 N ATOM 386 CA MET A 53 -8.334 -13.131 5.785 1.00 0.00 C ATOM 387 C MET A 53 -7.025 -12.738 6.490 1.00 0.00 C ATOM 388 O MET A 53 -6.627 -13.442 7.426 1.00 0.00 O ATOM 389 CB MET A 53 -9.509 -13.109 6.780 1.00 0.00 C ATOM 390 CG MET A 53 -10.861 -13.378 6.108 1.00 0.00 C ATOM 391 SD MET A 53 -12.167 -12.175 6.480 1.00 0.00 S ATOM 392 CE MET A 53 -12.102 -11.208 4.946 1.00 0.00 C ATOM 0 HA MET A 53 -8.628 -12.413 5.019 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.338 -13.857 7.554 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.541 -12.139 7.276 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.712 -13.405 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.206 -14.368 6.407 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.575 -10.239 5.106 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.063 -11.060 4.653 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.629 -11.743 4.156 1.00 0.00 H new ATOM 402 N PRO A 54 -6.326 -11.657 6.082 1.00 0.00 N ATOM 403 CA PRO A 54 -5.114 -11.236 6.772 1.00 0.00 C ATOM 404 C PRO A 54 -5.449 -10.777 8.189 1.00 0.00 C ATOM 405 O PRO A 54 -6.577 -10.376 8.481 1.00 0.00 O ATOM 406 CB PRO A 54 -4.532 -10.080 5.954 1.00 0.00 C ATOM 407 CG PRO A 54 -5.753 -9.494 5.252 1.00 0.00 C ATOM 408 CD PRO A 54 -6.657 -10.706 5.030 1.00 0.00 C ATOM 0 HA PRO A 54 -4.398 -12.054 6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.043 -9.343 6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.786 -10.429 5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.242 -8.736 5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.483 -9.017 4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.708 -10.422 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.490 -11.141 4.045 1.00 0.00 H new ATOM 416 N GLU A 55 -4.432 -10.746 9.038 1.00 0.00 N ATOM 417 CA GLU A 55 -4.581 -10.364 10.429 1.00 0.00 C ATOM 418 C GLU A 55 -4.661 -8.837 10.490 1.00 0.00 C ATOM 419 O GLU A 55 -3.823 -8.119 9.943 1.00 0.00 O ATOM 420 CB GLU A 55 -3.374 -10.886 11.218 1.00 0.00 C ATOM 421 CG GLU A 55 -3.474 -12.384 11.533 1.00 0.00 C ATOM 422 CD GLU A 55 -2.085 -12.997 11.716 1.00 0.00 C ATOM 423 OE1 GLU A 55 -1.361 -12.603 12.652 1.00 0.00 O ATOM 424 OE2 GLU A 55 -1.742 -13.907 10.914 1.00 0.00 O ATOM 0 H GLU A 55 -3.476 -10.987 8.777 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.485 -10.789 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.464 -10.699 10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.286 -10.328 12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.063 -12.531 12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.998 -12.895 10.726 1.00 0.00 H new ATOM 431 N VAL A 56 -5.684 -8.336 11.168 1.00 0.00 N ATOM 432 CA VAL A 56 -5.940 -6.918 11.414 1.00 0.00 C ATOM 433 C VAL A 56 -4.919 -6.325 12.404 1.00 0.00 C ATOM 434 O VAL A 56 -4.854 -5.109 12.587 1.00 0.00 O ATOM 435 CB VAL A 56 -7.415 -6.823 11.848 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.837 -5.438 12.314 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.315 -7.184 10.657 1.00 0.00 C ATOM 0 H VAL A 56 -6.396 -8.936 11.584 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.799 -6.303 10.525 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.520 -7.510 12.688 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.888 -5.456 12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.231 -5.142 13.170 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.694 -4.723 11.504 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.361 -7.119 10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.129 -6.490 9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.095 -8.200 10.329 1.00 0.00 H new ATOM 447 N GLY A 57 -4.059 -7.164 12.979 1.00 0.00 N ATOM 448 CA GLY A 57 -2.835 -6.766 13.640 1.00 0.00 C ATOM 449 C GLY A 57 -1.654 -7.462 12.976 1.00 0.00 C ATOM 450 O GLY A 57 -0.870 -8.111 13.683 1.00 0.00 O ATOM 0 H GLY A 57 -4.208 -8.173 12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.713 -5.684 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.878 -7.027 14.697 1.00 0.00 H new ATOM 454 N GLN A 58 -1.510 -7.361 11.646 1.00 0.00 N ATOM 455 CA GLN A 58 -0.222 -7.649 11.018 1.00 0.00 C ATOM 456 C GLN A 58 0.178 -6.547 10.038 1.00 0.00 C ATOM 457 O GLN A 58 -0.571 -5.603 9.758 1.00 0.00 O ATOM 458 CB GLN A 58 -0.148 -9.059 10.381 1.00 0.00 C ATOM 459 CG GLN A 58 -0.778 -9.152 8.979 1.00 0.00 C ATOM 460 CD GLN A 58 -0.234 -10.238 8.059 1.00 0.00 C ATOM 461 OE1 GLN A 58 0.826 -10.822 8.274 1.00 0.00 O ATOM 462 NE2 GLN A 58 -0.937 -10.447 6.957 1.00 0.00 N ATOM 0 H GLN A 58 -2.253 -7.089 11.002 1.00 0.00 H new ATOM 0 HA GLN A 58 0.515 -7.659 11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.897 -9.363 10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.648 -9.770 11.039 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.850 -9.310 9.097 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.650 -8.190 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.813 -9.946 6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.603 -11.109 6.257 1.00 0.00 H new ATOM 471 N ARG A 59 1.359 -6.750 9.456 1.00 0.00 N ATOM 472 CA ARG A 59 1.912 -5.980 8.362 1.00 0.00 C ATOM 473 C ARG A 59 1.604 -6.657 7.024 1.00 0.00 C ATOM 474 O ARG A 59 1.688 -7.884 6.933 1.00 0.00 O ATOM 475 CB ARG A 59 3.406 -5.808 8.654 1.00 0.00 C ATOM 476 CG ARG A 59 4.243 -7.092 8.518 1.00 0.00 C ATOM 477 CD ARG A 59 5.654 -6.768 8.995 1.00 0.00 C ATOM 478 NE ARG A 59 6.586 -7.889 8.820 1.00 0.00 N ATOM 479 CZ ARG A 59 7.888 -7.832 9.100 1.00 0.00 C ATOM 480 NH1 ARG A 59 8.407 -6.688 9.524 1.00 0.00 N ATOM 481 NH2 ARG A 59 8.663 -8.902 8.945 1.00 0.00 N ATOM 0 H ARG A 59 1.983 -7.498 9.757 1.00 0.00 H new ATOM 0 HA ARG A 59 1.462 -4.991 8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.810 -5.055 7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.522 -5.421 9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.812 -7.896 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.257 -7.434 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.028 -5.902 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.621 -6.490 10.048 1.00 0.00 H new ATOM 0 HE ARG A 59 6.213 -8.768 8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.812 -5.867 9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.402 -6.629 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.262 -9.778 8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.658 -8.847 9.162 1.00 0.00 H new ATOM 495 N LEU A 60 1.219 -5.891 5.998 1.00 0.00 N ATOM 496 CA LEU A 60 0.917 -6.395 4.668 1.00 0.00 C ATOM 497 C LEU A 60 1.115 -5.318 3.606 1.00 0.00 C ATOM 498 O LEU A 60 1.275 -4.132 3.909 1.00 0.00 O ATOM 499 CB LEU A 60 -0.480 -7.049 4.578 1.00 0.00 C ATOM 500 CG LEU A 60 -1.749 -6.348 5.087 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.826 -6.356 6.593 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.002 -4.941 4.569 1.00 0.00 C ATOM 0 H LEU A 60 1.108 -4.880 6.078 1.00 0.00 H new ATOM 0 HA LEU A 60 1.634 -7.191 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.650 -7.279 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.415 -8.000 5.106 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.546 -6.956 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.737 -5.851 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.836 -7.385 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.960 -5.837 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.926 -4.555 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.171 -4.294 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.090 -4.964 3.483 1.00 0.00 H new ATOM 514 N ARG A 61 1.066 -5.752 2.341 1.00 0.00 N ATOM 515 CA ARG A 61 1.295 -4.985 1.118 1.00 0.00 C ATOM 516 C ARG A 61 0.017 -5.034 0.287 1.00 0.00 C ATOM 517 O ARG A 61 -0.686 -6.049 0.294 1.00 0.00 O ATOM 518 CB ARG A 61 2.497 -5.626 0.396 1.00 0.00 C ATOM 519 CG ARG A 61 3.166 -4.787 -0.696 1.00 0.00 C ATOM 520 CD ARG A 61 4.526 -5.412 -1.030 1.00 0.00 C ATOM 521 NE ARG A 61 5.375 -4.513 -1.820 1.00 0.00 N ATOM 522 CZ ARG A 61 6.363 -4.886 -2.635 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.742 -6.154 -2.676 1.00 0.00 N ATOM 524 NH2 ARG A 61 7.046 -3.970 -3.311 1.00 0.00 N ATOM 0 H ARG A 61 0.848 -6.726 2.133 1.00 0.00 H new ATOM 0 HA ARG A 61 1.527 -3.937 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.250 -5.876 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.166 -6.564 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.537 -4.753 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.295 -3.759 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.040 -5.673 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.371 -6.339 -1.582 1.00 0.00 H new ATOM 0 HE ARG A 61 5.193 -3.513 -1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.279 -6.844 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.497 -6.441 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.815 -2.982 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.802 -4.254 -3.934 1.00 0.00 H new ATOM 538 N VAL A 62 -0.307 -3.938 -0.388 1.00 0.00 N ATOM 539 CA VAL A 62 -1.564 -3.671 -1.082 1.00 0.00 C ATOM 540 C VAL A 62 -1.252 -2.935 -2.386 1.00 0.00 C ATOM 541 O VAL A 62 -0.224 -2.263 -2.489 1.00 0.00 O ATOM 542 CB VAL A 62 -2.409 -2.801 -0.128 1.00 0.00 C ATOM 543 CG1 VAL A 62 -3.490 -1.900 -0.732 1.00 0.00 C ATOM 544 CG2 VAL A 62 -2.989 -3.590 1.038 1.00 0.00 C ATOM 0 H VAL A 62 0.345 -3.158 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.109 -4.580 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.647 -2.104 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.995 -1.354 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.030 -1.193 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.215 -2.512 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.573 -2.924 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.632 -4.383 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.178 -4.028 1.620 1.00 0.00 H new ATOM 554 N GLY A 63 -2.172 -2.947 -3.350 1.00 0.00 N ATOM 555 CA GLY A 63 -2.197 -1.984 -4.443 1.00 0.00 C ATOM 556 C GLY A 63 -3.627 -1.594 -4.753 1.00 0.00 C ATOM 557 O GLY A 63 -4.562 -2.263 -4.312 1.00 0.00 O ATOM 0 H GLY A 63 -2.926 -3.633 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.620 -1.100 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.728 -2.413 -5.328 1.00 0.00 H new ATOM 561 N GLY A 64 -3.799 -0.499 -5.485 1.00 0.00 N ATOM 562 CA GLY A 64 -5.099 -0.018 -5.950 1.00 0.00 C ATOM 563 C GLY A 64 -4.973 1.337 -6.629 1.00 0.00 C ATOM 564 O GLY A 64 -3.897 1.938 -6.605 1.00 0.00 O ATOM 0 H GLY A 64 -3.023 0.094 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.528 -0.738 -6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.785 0.057 -5.106 1.00 0.00 H new ATOM 568 N MET A 65 -6.054 1.818 -7.239 1.00 0.00 N ATOM 569 CA MET A 65 -6.103 3.086 -7.954 1.00 0.00 C ATOM 570 C MET A 65 -6.551 4.186 -7.005 1.00 0.00 C ATOM 571 O MET A 65 -7.570 4.004 -6.359 1.00 0.00 O ATOM 572 CB MET A 65 -7.065 2.959 -9.134 1.00 0.00 C ATOM 573 CG MET A 65 -7.034 4.225 -9.997 1.00 0.00 C ATOM 574 SD MET A 65 -7.912 4.081 -11.569 1.00 0.00 S ATOM 575 CE MET A 65 -6.931 2.767 -12.333 1.00 0.00 C ATOM 0 H MET A 65 -6.944 1.320 -7.248 1.00 0.00 H new ATOM 0 HA MET A 65 -5.114 3.342 -8.335 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.794 2.094 -9.739 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.077 2.787 -8.768 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.466 5.048 -9.428 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.995 4.487 -10.198 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.012 2.836 -13.418 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.887 2.875 -12.039 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.302 1.797 -12.003 1.00 0.00 H new ATOM 585 N VAL A 66 -5.822 5.290 -6.851 1.00 0.00 N ATOM 586 CA VAL A 66 -6.230 6.385 -5.971 1.00 0.00 C ATOM 587 C VAL A 66 -7.499 6.992 -6.555 1.00 0.00 C ATOM 588 O VAL A 66 -7.497 7.435 -7.699 1.00 0.00 O ATOM 589 CB VAL A 66 -5.099 7.417 -5.739 1.00 0.00 C ATOM 590 CG1 VAL A 66 -4.118 7.576 -6.828 1.00 0.00 C ATOM 591 CG2 VAL A 66 -5.523 8.788 -5.175 1.00 0.00 C ATOM 0 H VAL A 66 -4.936 5.451 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.441 6.006 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.574 6.906 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.379 8.325 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.619 6.624 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.630 7.896 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.643 9.421 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.223 9.263 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.003 8.650 -4.206 1.00 0.00 H new ATOM 601 N MET A 67 -8.566 7.032 -5.764 1.00 0.00 N ATOM 602 CA MET A 67 -9.771 7.786 -6.089 1.00 0.00 C ATOM 603 C MET A 67 -9.386 9.263 -6.149 1.00 0.00 C ATOM 604 O MET A 67 -8.596 9.724 -5.317 1.00 0.00 O ATOM 605 CB MET A 67 -10.862 7.523 -5.030 1.00 0.00 C ATOM 606 CG MET A 67 -12.152 7.000 -5.667 1.00 0.00 C ATOM 607 SD MET A 67 -13.506 6.710 -4.508 1.00 0.00 S ATOM 608 CE MET A 67 -13.351 4.932 -4.214 1.00 0.00 C ATOM 0 H MET A 67 -8.619 6.538 -4.873 1.00 0.00 H new ATOM 0 HA MET A 67 -10.181 7.477 -7.050 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.496 6.799 -4.302 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.072 8.444 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.484 7.714 -6.420 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.932 6.068 -6.187 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.222 4.577 -3.662 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.289 4.409 -5.169 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.449 4.736 -3.634 1.00 0.00 H new ATOM 618 N PRO A 68 -9.907 10.021 -7.117 1.00 0.00 N ATOM 619 CA PRO A 68 -9.710 11.452 -7.140 1.00 0.00 C ATOM 620 C PRO A 68 -10.388 12.050 -5.904 1.00 0.00 C ATOM 621 O PRO A 68 -11.275 11.447 -5.298 1.00 0.00 O ATOM 622 CB PRO A 68 -10.294 11.926 -8.474 1.00 0.00 C ATOM 623 CG PRO A 68 -11.276 10.824 -8.885 1.00 0.00 C ATOM 624 CD PRO A 68 -10.888 9.596 -8.094 1.00 0.00 C ATOM 0 HA PRO A 68 -8.668 11.767 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.799 12.886 -8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.513 12.059 -9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.303 11.118 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.218 10.631 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.759 9.161 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.474 8.829 -8.749 1.00 0.00 H new ATOM 632 N GLY A 69 -9.958 13.243 -5.510 1.00 0.00 N ATOM 633 CA GLY A 69 -10.674 14.055 -4.541 1.00 0.00 C ATOM 634 C GLY A 69 -10.837 13.433 -3.153 1.00 0.00 C ATOM 635 O GLY A 69 -11.731 13.889 -2.441 1.00 0.00 O ATOM 0 H GLY A 69 -9.100 13.673 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.153 15.007 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.664 14.276 -4.939 1.00 0.00 H new ATOM 639 N SER A 70 -10.035 12.432 -2.757 1.00 0.00 N ATOM 640 CA SER A 70 -9.975 11.985 -1.360 1.00 0.00 C ATOM 641 C SER A 70 -8.578 12.111 -0.742 1.00 0.00 C ATOM 642 O SER A 70 -8.463 11.870 0.459 1.00 0.00 O ATOM 643 CB SER A 70 -10.529 10.565 -1.165 1.00 0.00 C ATOM 644 OG SER A 70 -11.667 10.298 -1.956 1.00 0.00 O ATOM 0 H SER A 70 -9.419 11.918 -3.387 1.00 0.00 H new ATOM 0 HA SER A 70 -10.627 12.672 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.750 9.842 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.783 10.422 -0.115 1.00 0.00 H new ATOM 0 HG SER A 70 -11.972 9.382 -1.791 1.00 0.00 H new ATOM 650 N VAL A 71 -7.522 12.471 -1.494 1.00 0.00 N ATOM 651 CA VAL A 71 -6.221 12.834 -0.953 1.00 0.00 C ATOM 652 C VAL A 71 -6.311 14.087 -0.058 1.00 0.00 C ATOM 653 O VAL A 71 -6.049 15.222 -0.469 1.00 0.00 O ATOM 654 CB VAL A 71 -5.184 12.960 -2.089 1.00 0.00 C ATOM 655 CG1 VAL A 71 -3.785 12.921 -1.473 1.00 0.00 C ATOM 656 CG2 VAL A 71 -5.265 11.814 -3.114 1.00 0.00 C ATOM 0 H VAL A 71 -7.561 12.515 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.873 12.035 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.393 13.895 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.038 13.009 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.673 13.749 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.646 11.978 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.510 11.962 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.088 10.863 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.254 11.804 -3.571 1.00 0.00 H new ATOM 666 N GLN A 72 -6.631 13.861 1.210 1.00 0.00 N ATOM 667 CA GLN A 72 -6.608 14.782 2.332 1.00 0.00 C ATOM 668 C GLN A 72 -5.156 14.915 2.784 1.00 0.00 C ATOM 669 O GLN A 72 -4.775 14.505 3.877 1.00 0.00 O ATOM 670 CB GLN A 72 -7.485 14.216 3.459 1.00 0.00 C ATOM 671 CG GLN A 72 -8.949 14.011 3.054 1.00 0.00 C ATOM 672 CD GLN A 72 -9.531 12.824 3.796 1.00 0.00 C ATOM 673 OE1 GLN A 72 -9.899 12.931 4.961 1.00 0.00 O ATOM 674 NE2 GLN A 72 -9.604 11.675 3.155 1.00 0.00 N ATOM 0 H GLN A 72 -6.944 12.936 1.504 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.998 15.762 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.071 13.263 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.444 14.891 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.526 14.908 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.018 13.847 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.292 11.611 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.973 10.850 3.628 1.00 0.00 H new ATOM 683 N ARG A 73 -4.293 15.406 1.906 1.00 0.00 N ATOM 684 CA ARG A 73 -2.936 15.815 2.266 1.00 0.00 C ATOM 685 C ARG A 73 -3.013 17.076 3.119 1.00 0.00 C ATOM 686 O ARG A 73 -3.949 17.864 2.966 1.00 0.00 O ATOM 687 CB ARG A 73 -2.064 15.972 1.013 1.00 0.00 C ATOM 688 CG ARG A 73 -2.799 16.729 -0.090 1.00 0.00 C ATOM 689 CD ARG A 73 -1.934 17.011 -1.311 1.00 0.00 C ATOM 690 NE ARG A 73 -0.910 18.013 -1.022 1.00 0.00 N ATOM 691 CZ ARG A 73 -0.057 18.542 -1.896 1.00 0.00 C ATOM 692 NH1 ARG A 73 -0.112 18.226 -3.186 1.00 0.00 N ATOM 693 NH2 ARG A 73 0.835 19.405 -1.448 1.00 0.00 N ATOM 0 H ARG A 73 -4.512 15.534 0.918 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.449 15.044 2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.147 16.502 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.771 14.988 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.671 16.152 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.167 17.673 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.458 16.088 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.563 17.358 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.843 18.338 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.816 17.568 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.550 18.641 -3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.856 19.649 -0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.503 19.829 -2.092 1.00 0.00 H new ATOM 758 N LEU A 78 2.807 16.928 6.593 1.00 0.00 N ATOM 759 CA LEU A 78 3.195 15.826 5.708 1.00 0.00 C ATOM 760 C LEU A 78 2.181 14.685 5.811 1.00 0.00 C ATOM 761 O LEU A 78 2.292 13.697 5.088 1.00 0.00 O ATOM 762 CB LEU A 78 4.576 15.232 6.084 1.00 0.00 C ATOM 763 CG LEU A 78 5.868 16.018 5.793 1.00 0.00 C ATOM 764 CD1 LEU A 78 6.028 16.256 4.290 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.019 17.323 6.575 1.00 0.00 C ATOM 0 HA LEU A 78 3.235 16.242 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.558 15.027 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.662 14.271 5.577 1.00 0.00 H new ATOM 0 HG LEU A 78 6.678 15.383 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.947 16.813 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.074 15.298 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.177 16.827 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.958 17.804 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.189 17.988 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.018 17.109 7.644 1.00 0.00 H new ATOM 777 N LYS A 79 1.215 14.750 6.731 1.00 0.00 N ATOM 778 CA LYS A 79 0.175 13.765 6.823 1.00 0.00 C ATOM 779 C LYS A 79 -0.606 13.806 5.519 1.00 0.00 C ATOM 780 O LYS A 79 -0.845 14.888 4.976 1.00 0.00 O ATOM 781 CB LYS A 79 -0.712 14.107 8.024 1.00 0.00 C ATOM 782 CG LYS A 79 -1.702 12.966 8.254 1.00 0.00 C ATOM 783 CD LYS A 79 -1.439 12.212 9.548 1.00 0.00 C ATOM 784 CE LYS A 79 -2.655 11.392 9.986 1.00 0.00 C ATOM 785 NZ LYS A 79 -2.474 10.850 11.346 1.00 0.00 N ATOM 0 H LYS A 79 1.146 15.494 7.426 1.00 0.00 H new ATOM 0 HA LYS A 79 0.570 12.760 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.100 14.259 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.247 15.039 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.715 13.368 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.650 12.271 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.583 11.550 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.176 12.920 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.547 12.017 9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.816 10.574 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.314 10.299 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.636 10.235 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.344 11.633 12.018 1.00 0.00 H new ATOM 799 N VAL A 80 -1.002 12.645 5.021 1.00 0.00 N ATOM 800 CA VAL A 80 -1.882 12.572 3.886 1.00 0.00 C ATOM 801 C VAL A 80 -2.707 11.309 4.029 1.00 0.00 C ATOM 802 O VAL A 80 -2.182 10.228 4.291 1.00 0.00 O ATOM 803 CB VAL A 80 -1.074 12.678 2.581 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.162 11.785 2.538 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.952 12.373 1.370 1.00 0.00 C ATOM 0 H VAL A 80 -0.720 11.739 5.395 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.578 13.410 3.844 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.724 13.710 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.675 11.919 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.834 12.054 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.138 10.743 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.358 12.455 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.350 11.362 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.777 13.085 1.330 1.00 0.00 H new ATOM 815 N THR A 81 -4.008 11.452 3.847 1.00 0.00 N ATOM 816 CA THR A 81 -4.962 10.362 3.962 1.00 0.00 C ATOM 817 C THR A 81 -5.673 10.295 2.605 1.00 0.00 C ATOM 818 O THR A 81 -5.937 11.347 2.026 1.00 0.00 O ATOM 819 CB THR A 81 -5.874 10.631 5.175 1.00 0.00 C ATOM 820 OG1 THR A 81 -5.127 11.066 6.309 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.575 9.361 5.631 1.00 0.00 C ATOM 0 H THR A 81 -4.439 12.346 3.611 1.00 0.00 H new ATOM 0 HA THR A 81 -4.520 9.385 4.158 1.00 0.00 H new ATOM 0 HB THR A 81 -6.580 11.392 4.842 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.736 11.229 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.211 9.584 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.186 8.971 4.817 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.831 8.617 5.915 1.00 0.00 H new ATOM 829 N PHE A 82 -5.882 9.114 2.021 1.00 0.00 N ATOM 830 CA PHE A 82 -6.507 8.944 0.707 1.00 0.00 C ATOM 831 C PHE A 82 -7.301 7.632 0.667 1.00 0.00 C ATOM 832 O PHE A 82 -7.236 6.813 1.590 1.00 0.00 O ATOM 833 CB PHE A 82 -5.466 9.050 -0.434 1.00 0.00 C ATOM 834 CG PHE A 82 -4.371 8.001 -0.520 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.297 8.073 0.388 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.339 7.046 -1.566 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.227 7.171 0.294 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.285 6.120 -1.624 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.228 6.180 -0.702 1.00 0.00 C ATOM 0 H PHE A 82 -5.616 8.231 2.456 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.213 9.758 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.009 9.040 -1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.985 10.025 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.297 8.827 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.119 7.030 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.402 7.238 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.288 5.354 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.419 5.467 -0.758 1.00 0.00 H new ATOM 849 N THR A 83 -8.032 7.412 -0.421 1.00 0.00 N ATOM 850 CA THR A 83 -8.734 6.171 -0.715 1.00 0.00 C ATOM 851 C THR A 83 -8.158 5.604 -2.012 1.00 0.00 C ATOM 852 O THR A 83 -7.862 6.351 -2.957 1.00 0.00 O ATOM 853 CB THR A 83 -10.245 6.445 -0.817 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.720 6.955 0.408 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.032 5.183 -1.166 1.00 0.00 C ATOM 0 H THR A 83 -8.155 8.118 -1.146 1.00 0.00 H new ATOM 0 HA THR A 83 -8.597 5.437 0.079 1.00 0.00 H new ATOM 0 HB THR A 83 -10.392 7.171 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.682 7.130 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.094 5.422 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.691 4.795 -2.126 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.874 4.430 -0.394 1.00 0.00 H new ATOM 863 N ILE A 84 -8.038 4.282 -2.083 1.00 0.00 N ATOM 864 CA ILE A 84 -7.603 3.538 -3.254 1.00 0.00 C ATOM 865 C ILE A 84 -8.659 2.463 -3.522 1.00 0.00 C ATOM 866 O ILE A 84 -9.276 1.960 -2.585 1.00 0.00 O ATOM 867 CB ILE A 84 -6.182 2.949 -3.067 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.711 2.864 -1.612 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.152 3.753 -3.869 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.372 2.132 -1.479 1.00 0.00 C ATOM 0 H ILE A 84 -8.251 3.676 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.520 4.196 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.257 1.926 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.615 3.870 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.465 2.349 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.161 3.323 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.410 3.721 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.152 4.788 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.079 2.097 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.473 1.116 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.610 2.661 -2.051 1.00 0.00 H new ATOM 882 N TYR A 85 -8.915 2.137 -4.786 1.00 0.00 N ATOM 883 CA TYR A 85 -10.043 1.316 -5.200 1.00 0.00 C ATOM 884 C TYR A 85 -9.716 0.512 -6.453 1.00 0.00 C ATOM 885 O TYR A 85 -8.640 0.645 -7.045 1.00 0.00 O ATOM 886 CB TYR A 85 -11.267 2.217 -5.431 1.00 0.00 C ATOM 887 CG TYR A 85 -11.236 3.001 -6.726 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.431 4.145 -6.838 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.974 2.557 -7.837 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.319 4.824 -8.061 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.911 3.259 -9.049 1.00 0.00 C ATOM 892 CZ TYR A 85 -11.091 4.406 -9.166 1.00 0.00 C ATOM 893 OH TYR A 85 -11.080 5.142 -10.310 1.00 0.00 O ATOM 0 H TYR A 85 -8.331 2.443 -5.564 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.265 0.600 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.165 1.599 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.349 2.917 -4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.892 4.506 -5.974 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.590 1.674 -7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.645 5.663 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.490 2.923 -9.896 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.257 4.958 -10.809 1.00 0.00 H new ATOM 903 N ASP A 86 -10.666 -0.322 -6.858 1.00 0.00 N ATOM 904 CA ASP A 86 -10.662 -1.072 -8.108 1.00 0.00 C ATOM 905 C ASP A 86 -12.081 -1.528 -8.459 1.00 0.00 C ATOM 906 O ASP A 86 -13.055 -1.013 -7.907 1.00 0.00 O ATOM 907 CB ASP A 86 -9.657 -2.240 -8.065 1.00 0.00 C ATOM 908 CG ASP A 86 -9.970 -3.402 -7.112 1.00 0.00 C ATOM 909 OD1 ASP A 86 -11.057 -3.440 -6.499 1.00 0.00 O ATOM 910 OD2 ASP A 86 -9.050 -4.248 -6.981 1.00 0.00 O ATOM 0 H ASP A 86 -11.499 -0.502 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.324 -0.413 -8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.567 -2.645 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.681 -1.836 -7.795 1.00 0.00 H new ATOM 915 N ALA A 87 -12.207 -2.451 -9.415 1.00 0.00 N ATOM 916 CA ALA A 87 -13.464 -3.018 -9.888 1.00 0.00 C ATOM 917 C ALA A 87 -14.166 -3.918 -8.851 1.00 0.00 C ATOM 918 O ALA A 87 -15.135 -4.591 -9.206 1.00 0.00 O ATOM 919 CB ALA A 87 -13.174 -3.790 -11.183 1.00 0.00 C ATOM 0 H ALA A 87 -11.397 -2.838 -9.900 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.162 -2.201 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.098 -4.226 -11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.763 -3.109 -11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.455 -4.583 -10.980 1.00 0.00 H new ATOM 925 N GLU A 88 -13.694 -3.969 -7.603 1.00 0.00 N ATOM 926 CA GLU A 88 -14.218 -4.825 -6.552 1.00 0.00 C ATOM 927 C GLU A 88 -14.621 -3.915 -5.392 1.00 0.00 C ATOM 928 O GLU A 88 -15.806 -3.747 -5.100 1.00 0.00 O ATOM 929 CB GLU A 88 -13.158 -5.849 -6.098 1.00 0.00 C ATOM 930 CG GLU A 88 -12.351 -6.549 -7.191 1.00 0.00 C ATOM 931 CD GLU A 88 -12.855 -7.927 -7.606 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.580 -8.626 -6.855 1.00 0.00 O ATOM 933 OE2 GLU A 88 -12.375 -8.413 -8.648 1.00 0.00 O ATOM 0 H GLU A 88 -12.911 -3.394 -7.293 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.075 -5.394 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.458 -5.340 -5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.659 -6.614 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.335 -5.908 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.320 -6.647 -6.850 1.00 0.00 H new ATOM 940 N GLY A 89 -13.640 -3.341 -4.693 1.00 0.00 N ATOM 941 CA GLY A 89 -13.844 -2.585 -3.465 1.00 0.00 C ATOM 942 C GLY A 89 -13.078 -1.268 -3.459 1.00 0.00 C ATOM 943 O GLY A 89 -12.541 -0.828 -4.482 1.00 0.00 O ATOM 0 H GLY A 89 -12.661 -3.393 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.908 -2.384 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.530 -3.189 -2.614 1.00 0.00 H new ATOM 947 N SER A 90 -13.062 -0.609 -2.306 1.00 0.00 N ATOM 948 CA SER A 90 -12.136 0.468 -1.999 1.00 0.00 C ATOM 949 C SER A 90 -11.666 0.382 -0.544 1.00 0.00 C ATOM 950 O SER A 90 -12.415 -0.078 0.324 1.00 0.00 O ATOM 951 CB SER A 90 -12.776 1.811 -2.350 1.00 0.00 C ATOM 952 OG SER A 90 -13.956 2.111 -1.610 1.00 0.00 O ATOM 0 H SER A 90 -13.708 -0.815 -1.544 1.00 0.00 H new ATOM 0 HA SER A 90 -11.238 0.371 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.046 2.603 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.017 1.818 -3.413 1.00 0.00 H new ATOM 0 HG SER A 90 -14.304 2.984 -1.889 1.00 0.00 H new ATOM 958 N VAL A 91 -10.444 0.837 -0.273 1.00 0.00 N ATOM 959 CA VAL A 91 -9.782 0.721 1.013 1.00 0.00 C ATOM 960 C VAL A 91 -9.194 2.082 1.366 1.00 0.00 C ATOM 961 O VAL A 91 -8.816 2.879 0.495 1.00 0.00 O ATOM 962 CB VAL A 91 -8.741 -0.415 0.941 1.00 0.00 C ATOM 963 CG1 VAL A 91 -7.622 -0.147 -0.073 1.00 0.00 C ATOM 964 CG2 VAL A 91 -8.102 -0.805 2.274 1.00 0.00 C ATOM 0 H VAL A 91 -9.873 1.312 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.471 0.451 1.813 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.348 -1.258 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.924 -0.984 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.052 -0.032 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.093 0.766 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.386 -1.611 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.587 0.058 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.876 -1.140 2.964 1.00 0.00 H new ATOM 974 N ASP A 92 -9.136 2.321 2.666 1.00 0.00 N ATOM 975 CA ASP A 92 -8.641 3.564 3.243 1.00 0.00 C ATOM 976 C ASP A 92 -7.129 3.490 3.403 1.00 0.00 C ATOM 977 O ASP A 92 -6.583 2.421 3.710 1.00 0.00 O ATOM 978 CB ASP A 92 -9.299 3.800 4.613 1.00 0.00 C ATOM 979 CG ASP A 92 -10.562 4.634 4.468 1.00 0.00 C ATOM 980 OD1 ASP A 92 -11.647 4.060 4.178 1.00 0.00 O ATOM 981 OD2 ASP A 92 -10.484 5.863 4.637 1.00 0.00 O ATOM 0 H ASP A 92 -9.438 1.643 3.366 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.891 4.392 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.541 2.843 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.598 4.306 5.276 1.00 0.00 H new ATOM 986 N VAL A 93 -6.456 4.636 3.280 1.00 0.00 N ATOM 987 CA VAL A 93 -5.036 4.782 3.568 1.00 0.00 C ATOM 988 C VAL A 93 -4.775 6.052 4.374 1.00 0.00 C ATOM 989 O VAL A 93 -5.019 7.149 3.883 1.00 0.00 O ATOM 990 CB VAL A 93 -4.214 4.821 2.267 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.725 4.944 2.616 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.408 3.574 1.401 1.00 0.00 C ATOM 0 H VAL A 93 -6.896 5.503 2.971 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.727 3.918 4.156 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.564 5.680 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.137 4.972 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.558 5.861 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.420 4.087 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.803 3.660 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.100 2.691 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.459 3.482 1.126 1.00 0.00 H new ATOM 1002 N SER A 94 -4.153 5.916 5.543 1.00 0.00 N ATOM 1003 CA SER A 94 -3.314 6.941 6.147 1.00 0.00 C ATOM 1004 C SER A 94 -1.877 6.734 5.645 1.00 0.00 C ATOM 1005 O SER A 94 -1.403 5.596 5.640 1.00 0.00 O ATOM 1006 CB SER A 94 -3.329 6.768 7.668 1.00 0.00 C ATOM 1007 OG SER A 94 -4.443 7.348 8.323 1.00 0.00 O ATOM 0 H SER A 94 -4.222 5.069 6.107 1.00 0.00 H new ATOM 0 HA SER A 94 -3.678 7.934 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.305 5.703 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.418 7.204 8.078 1.00 0.00 H new ATOM 0 HG SER A 94 -4.374 7.190 9.288 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.167 7.801 5.278 1.00 0.00 N ATOM 1014 CA TYR A 95 0.271 7.874 5.097 1.00 0.00 C ATOM 1015 C TYR A 95 0.742 9.128 5.829 1.00 0.00 C ATOM 1016 O TYR A 95 -0.032 10.027 6.174 1.00 0.00 O ATOM 1017 CB TYR A 95 0.600 7.941 3.602 1.00 0.00 C ATOM 1018 CG TYR A 95 2.075 8.073 3.240 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.963 7.055 3.621 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.563 9.151 2.466 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.291 7.078 3.177 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.892 9.169 1.992 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.749 8.099 2.321 1.00 0.00 C ATOM 1024 OH TYR A 95 5.996 8.026 1.786 1.00 0.00 O ATOM 0 H TYR A 95 -1.619 8.695 5.088 1.00 0.00 H new ATOM 0 HA TYR A 95 0.776 6.995 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.210 7.042 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.065 8.788 3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.621 6.252 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.906 9.976 2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.973 6.303 3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.247 9.990 1.387 1.00 0.00 H new ATOM 0 HH TYR A 95 6.059 7.236 1.209 1.00 0.00 H new ATOM 1034 N GLU A 96 2.042 9.218 6.045 1.00 0.00 N ATOM 1035 CA GLU A 96 2.682 10.437 6.479 1.00 0.00 C ATOM 1036 C GLU A 96 3.991 10.527 5.716 1.00 0.00 C ATOM 1037 O GLU A 96 4.855 9.654 5.837 1.00 0.00 O ATOM 1038 CB GLU A 96 2.838 10.425 7.999 1.00 0.00 C ATOM 1039 CG GLU A 96 3.394 11.765 8.491 1.00 0.00 C ATOM 1040 CD GLU A 96 3.587 11.809 10.005 1.00 0.00 C ATOM 1041 OE1 GLU A 96 2.844 11.116 10.745 1.00 0.00 O ATOM 1042 OE2 GLU A 96 4.472 12.581 10.447 1.00 0.00 O ATOM 0 H GLU A 96 2.686 8.436 5.921 1.00 0.00 H new ATOM 0 HA GLU A 96 2.095 11.330 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.874 10.230 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.506 9.616 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.349 11.958 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.716 12.565 8.193 1.00 0.00 H new ATOM 1049 N GLY A 97 4.080 11.517 4.839 1.00 0.00 N ATOM 1050 CA GLY A 97 5.262 11.709 4.027 1.00 0.00 C ATOM 1051 C GLY A 97 4.953 12.633 2.870 1.00 0.00 C ATOM 1052 O GLY A 97 3.795 12.910 2.548 1.00 0.00 O ATOM 0 H GLY A 97 3.341 12.200 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.065 12.128 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.615 10.748 3.651 1.00 0.00 H new ATOM 1056 N ILE A 98 6.005 13.108 2.216 1.00 0.00 N ATOM 1057 CA ILE A 98 5.889 14.100 1.162 1.00 0.00 C ATOM 1058 C ILE A 98 5.308 13.505 -0.118 1.00 0.00 C ATOM 1059 O ILE A 98 4.756 14.250 -0.926 1.00 0.00 O ATOM 1060 CB ILE A 98 7.243 14.810 0.966 1.00 0.00 C ATOM 1061 CG1 ILE A 98 7.024 16.166 0.269 1.00 0.00 C ATOM 1062 CG2 ILE A 98 8.274 13.941 0.222 1.00 0.00 C ATOM 1063 CD1 ILE A 98 8.264 17.056 0.317 1.00 0.00 C ATOM 0 H ILE A 98 6.963 12.814 2.404 1.00 0.00 H new ATOM 0 HA ILE A 98 5.170 14.863 1.461 1.00 0.00 H new ATOM 0 HB ILE A 98 7.672 14.986 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.743 15.995 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.190 16.684 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.207 14.495 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.457 13.028 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.889 13.684 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.055 17.999 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.531 17.252 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.092 16.553 -0.182 1.00 0.00 H new ATOM 1075 N LEU A 99 5.298 12.176 -0.205 1.00 0.00 N ATOM 1076 CA LEU A 99 4.857 11.298 -1.274 1.00 0.00 C ATOM 1077 C LEU A 99 5.907 11.218 -2.374 1.00 0.00 C ATOM 1078 O LEU A 99 6.837 12.029 -2.441 1.00 0.00 O ATOM 1079 CB LEU A 99 3.454 11.647 -1.824 1.00 0.00 C ATOM 1080 CG LEU A 99 2.336 11.184 -0.888 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.032 11.879 -1.262 1.00 0.00 C ATOM 1082 CD2 LEU A 99 2.129 9.673 -0.972 1.00 0.00 C ATOM 0 H LEU A 99 5.646 11.624 0.579 1.00 0.00 H new ATOM 0 HA LEU A 99 4.747 10.305 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.380 12.725 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.323 11.183 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 99 2.627 11.442 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.238 11.547 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.156 12.958 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.769 11.630 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.328 9.377 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.861 9.399 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.050 9.163 -0.689 1.00 0.00 H new ATOM 1094 N PRO A 100 5.773 10.223 -3.257 1.00 0.00 N ATOM 1095 CA PRO A 100 6.377 10.294 -4.566 1.00 0.00 C ATOM 1096 C PRO A 100 5.767 11.509 -5.286 1.00 0.00 C ATOM 1097 O PRO A 100 4.553 11.734 -5.231 1.00 0.00 O ATOM 1098 CB PRO A 100 6.062 8.942 -5.227 1.00 0.00 C ATOM 1099 CG PRO A 100 5.568 8.048 -4.082 1.00 0.00 C ATOM 1100 CD PRO A 100 4.952 9.031 -3.114 1.00 0.00 C ATOM 0 HA PRO A 100 7.457 10.441 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.302 9.048 -6.001 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.946 8.520 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.840 7.315 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.386 7.492 -3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.909 9.232 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.972 8.652 -2.092 1.00 0.00 H new ATOM 1108 N ASP A 101 6.585 12.253 -6.028 1.00 0.00 N ATOM 1109 CA ASP A 101 6.154 13.327 -6.938 1.00 0.00 C ATOM 1110 C ASP A 101 5.181 12.768 -7.982 1.00 0.00 C ATOM 1111 O ASP A 101 4.268 13.441 -8.470 1.00 0.00 O ATOM 1112 CB ASP A 101 7.390 13.869 -7.675 1.00 0.00 C ATOM 1113 CG ASP A 101 7.064 15.132 -8.463 1.00 0.00 C ATOM 1114 OD1 ASP A 101 7.117 16.236 -7.879 1.00 0.00 O ATOM 1115 OD2 ASP A 101 6.828 15.043 -9.693 1.00 0.00 O ATOM 0 H ASP A 101 7.597 12.126 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 101 5.665 14.113 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.179 14.083 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.774 13.106 -8.352 1.00 0.00 H new ATOM 1120 N LEU A 102 5.439 11.497 -8.285 1.00 0.00 N ATOM 1121 CA LEU A 102 4.813 10.580 -9.198 1.00 0.00 C ATOM 1122 C LEU A 102 3.427 10.161 -8.711 1.00 0.00 C ATOM 1123 O LEU A 102 2.556 9.948 -9.550 1.00 0.00 O ATOM 1124 CB LEU A 102 5.774 9.374 -9.283 1.00 0.00 C ATOM 1125 CG LEU A 102 5.969 8.724 -10.658 1.00 0.00 C ATOM 1126 CD1 LEU A 102 4.698 8.039 -11.142 1.00 0.00 C ATOM 1127 CD2 LEU A 102 6.496 9.729 -11.684 1.00 0.00 C ATOM 0 H LEU A 102 6.214 11.031 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 102 4.649 11.034 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.751 9.695 -8.920 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.415 8.608 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 102 6.727 7.949 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.876 7.590 -12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.411 7.262 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.896 8.773 -11.220 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.622 9.234 -12.647 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.786 10.549 -11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.456 10.121 -11.349 1.00 0.00 H new ATOM 1139 N PHE A 103 3.183 10.048 -7.396 1.00 0.00 N ATOM 1140 CA PHE A 103 1.850 9.750 -6.898 1.00 0.00 C ATOM 1141 C PHE A 103 0.918 10.863 -7.367 1.00 0.00 C ATOM 1142 O PHE A 103 1.281 12.044 -7.327 1.00 0.00 O ATOM 1143 CB PHE A 103 1.862 9.640 -5.368 1.00 0.00 C ATOM 1144 CG PHE A 103 0.498 9.341 -4.773 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.456 10.370 -4.624 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.180 8.027 -4.391 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.746 10.090 -4.132 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -1.078 7.762 -3.826 1.00 0.00 C ATOM 1149 CZ PHE A 103 -2.043 8.780 -3.721 1.00 0.00 C ATOM 0 H PHE A 103 3.892 10.159 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 103 1.502 8.792 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.558 8.855 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.237 10.573 -4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.194 11.383 -4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.895 7.230 -4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.493 10.868 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.306 6.769 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.020 8.553 -3.321 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.273 10.499 -7.838 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.234 11.457 -8.345 1.00 0.00 C ATOM 1161 C ARG A 104 -2.604 10.923 -8.097 1.00 0.00 C ATOM 1162 O ARG A 104 -2.834 9.734 -8.276 1.00 0.00 O ATOM 1163 CB ARG A 104 -0.979 11.684 -9.833 1.00 0.00 C ATOM 1164 CG ARG A 104 -1.550 10.746 -10.882 1.00 0.00 C ATOM 1165 CD ARG A 104 -2.988 11.058 -11.281 1.00 0.00 C ATOM 1166 NE ARG A 104 -3.122 11.178 -12.733 1.00 0.00 N ATOM 1167 CZ ARG A 104 -4.212 11.612 -13.367 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -5.351 11.799 -12.699 1.00 0.00 N ATOM 1169 NH2 ARG A 104 -4.134 11.865 -14.668 1.00 0.00 N ATOM 0 H ARG A 104 -0.592 9.531 -7.876 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.137 12.418 -7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.342 12.684 -10.069 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.102 11.697 -9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.921 10.787 -11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.503 9.725 -10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.648 10.271 -10.916 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.306 11.986 -10.806 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.321 10.909 -13.304 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.392 11.610 -11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.181 12.131 -13.190 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.253 11.727 -15.163 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.955 12.198 -15.173 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.529 11.789 -7.750 1.00 0.00 N ATOM 1184 CA GLU A 105 -4.880 11.320 -7.500 1.00 0.00 C ATOM 1185 C GLU A 105 -5.488 10.858 -8.830 1.00 0.00 C ATOM 1186 O GLU A 105 -5.552 11.606 -9.800 1.00 0.00 O ATOM 1187 CB GLU A 105 -5.715 12.282 -6.660 1.00 0.00 C ATOM 1188 CG GLU A 105 -6.088 13.514 -7.440 1.00 0.00 C ATOM 1189 CD GLU A 105 -6.812 14.557 -6.610 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -6.181 15.192 -5.730 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -8.023 14.750 -6.840 1.00 0.00 O ATOM 0 H GLU A 105 -3.383 12.792 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.862 10.448 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.619 11.778 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.155 12.569 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.184 13.957 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.720 13.226 -8.280 1.00 0.00 H new ATOM 1198 N GLY A 106 -5.808 9.567 -8.885 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.164 8.854 -10.093 1.00 0.00 C ATOM 1200 C GLY A 106 -5.186 7.748 -10.520 1.00 0.00 C ATOM 1201 O GLY A 106 -5.578 7.040 -11.446 1.00 0.00 O ATOM 0 H GLY A 106 -5.825 8.974 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.150 8.410 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.250 9.574 -10.907 1.00 0.00 H new ATOM 1205 N GLN A 107 -3.970 7.555 -9.944 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.079 6.534 -10.553 1.00 0.00 C ATOM 1207 C GLN A 107 -3.220 5.181 -9.863 1.00 0.00 C ATOM 1208 O GLN A 107 -3.823 5.105 -8.800 1.00 0.00 O ATOM 1209 CB GLN A 107 -1.612 6.974 -10.597 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.025 7.285 -9.219 1.00 0.00 C ATOM 1211 CD GLN A 107 0.436 6.921 -9.055 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.827 6.461 -7.991 1.00 0.00 O ATOM 1213 NE2 GLN A 107 1.266 7.190 -10.045 1.00 0.00 N ATOM 0 H GLN A 107 -3.606 8.047 -9.128 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.408 6.426 -11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.020 6.189 -11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.525 7.859 -11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.144 8.350 -9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.604 6.753 -8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.909 7.573 -10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.265 7.015 -9.935 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.645 4.117 -10.424 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.446 2.855 -9.724 1.00 0.00 C ATOM 1224 C GLY A 108 -1.216 2.967 -8.824 1.00 0.00 C ATOM 1225 O GLY A 108 -0.150 3.340 -9.313 1.00 0.00 O ATOM 0 H GLY A 108 -2.303 4.110 -11.385 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.326 2.613 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.314 2.045 -10.441 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.355 2.638 -7.543 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.351 2.803 -6.488 1.00 0.00 C ATOM 1231 C VAL A 109 -0.096 1.433 -5.841 1.00 0.00 C ATOM 1232 O VAL A 109 -0.784 0.447 -6.139 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.785 3.891 -5.462 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -1.741 4.924 -6.072 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.444 3.363 -4.175 1.00 0.00 C ATOM 0 H VAL A 109 -2.219 2.226 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 109 0.587 3.162 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 109 0.168 4.345 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.013 5.660 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.250 5.426 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.640 4.422 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.707 4.202 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.345 2.805 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.747 2.708 -3.652 1.00 0.00 H new ATOM 1245 N VAL A 110 0.851 1.374 -4.908 1.00 0.00 N ATOM 1246 CA VAL A 110 1.053 0.292 -3.960 1.00 0.00 C ATOM 1247 C VAL A 110 1.147 0.922 -2.565 1.00 0.00 C ATOM 1248 O VAL A 110 1.927 1.854 -2.371 1.00 0.00 O ATOM 1249 CB VAL A 110 2.298 -0.510 -4.402 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.085 -1.138 -3.256 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.883 -1.647 -5.336 1.00 0.00 C ATOM 0 H VAL A 110 1.533 2.123 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 110 0.233 -0.425 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 110 2.942 0.221 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.941 -1.681 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.435 -0.355 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.442 -1.827 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.767 -2.207 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.194 -2.312 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.392 -1.233 -6.217 1.00 0.00 H new ATOM 1261 N VAL A 111 0.380 0.444 -1.577 1.00 0.00 N ATOM 1262 CA VAL A 111 0.734 0.680 -0.175 1.00 0.00 C ATOM 1263 C VAL A 111 1.352 -0.548 0.464 1.00 0.00 C ATOM 1264 O VAL A 111 1.303 -1.658 -0.058 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.412 1.242 0.684 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.767 2.640 0.221 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -1.628 0.420 0.988 1.00 0.00 C ATOM 0 H VAL A 111 -0.473 -0.098 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 111 1.487 1.468 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 111 0.039 1.228 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.579 3.031 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.105 3.287 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.082 2.609 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.314 0.999 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.123 0.145 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.333 -0.483 1.522 1.00 0.00 H new ATOM 1277 N GLN A 112 1.933 -0.323 1.629 1.00 0.00 N ATOM 1278 CA GLN A 112 2.417 -1.321 2.542 1.00 0.00 C ATOM 1279 C GLN A 112 2.553 -0.635 3.867 1.00 0.00 C ATOM 1280 O GLN A 112 2.914 0.539 3.889 1.00 0.00 O ATOM 1281 CB GLN A 112 3.784 -1.799 2.046 1.00 0.00 C ATOM 1282 CG GLN A 112 4.457 -2.737 3.033 1.00 0.00 C ATOM 1283 CD GLN A 112 5.497 -3.627 2.358 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.398 -4.848 2.400 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.510 -3.062 1.717 1.00 0.00 N ATOM 0 H GLN A 112 2.085 0.624 1.976 1.00 0.00 H new ATOM 0 HA GLN A 112 1.754 -2.183 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.664 -2.307 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.427 -0.936 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 112 4.935 -2.153 3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 112 3.703 -3.361 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.589 -2.046 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.210 -3.644 1.257 1.00 0.00 H new ATOM 1294 N GLY A 113 2.271 -1.366 4.929 1.00 0.00 N ATOM 1295 CA GLY A 113 2.433 -0.928 6.287 1.00 0.00 C ATOM 1296 C GLY A 113 1.675 -1.959 7.080 1.00 0.00 C ATOM 1297 O GLY A 113 1.985 -3.148 6.940 1.00 0.00 O ATOM 0 H GLY A 113 1.909 -2.317 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.484 -0.893 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.027 0.072 6.437 1.00 0.00 H new ATOM 1301 N GLU A 114 0.661 -1.541 7.828 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.007 -2.369 8.799 1.00 0.00 C ATOM 1303 C GLU A 114 -1.510 -2.135 8.715 1.00 0.00 C ATOM 1304 O GLU A 114 -1.964 -1.083 8.267 1.00 0.00 O ATOM 1305 CB GLU A 114 0.575 -2.041 10.176 1.00 0.00 C ATOM 1306 CG GLU A 114 2.059 -2.463 10.262 1.00 0.00 C ATOM 1307 CD GLU A 114 2.525 -2.877 11.653 1.00 0.00 C ATOM 1308 OE1 GLU A 114 1.976 -3.856 12.196 1.00 0.00 O ATOM 1309 OE2 GLU A 114 3.533 -2.304 12.145 1.00 0.00 O ATOM 0 H GLU A 114 0.280 -0.597 7.768 1.00 0.00 H new ATOM 0 HA GLU A 114 0.153 -3.430 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.485 -0.972 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.002 -2.553 10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.227 -3.293 9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.678 -1.635 9.918 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.285 -3.148 9.085 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.740 -3.131 9.032 1.00 0.00 C ATOM 1318 C LEU A 115 -4.307 -2.377 10.249 1.00 0.00 C ATOM 1319 O LEU A 115 -3.723 -2.443 11.334 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.196 -4.590 8.905 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.206 -4.811 7.751 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.669 -6.269 7.659 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.418 -3.870 7.738 1.00 0.00 C ATOM 0 H LEU A 115 -1.907 -4.027 9.439 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.126 -2.584 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.324 -5.224 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.651 -4.906 9.844 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.628 -4.554 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.376 -6.375 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.808 -6.914 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.153 -6.557 8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.058 -4.113 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.981 -3.989 8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.077 -2.838 7.651 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.401 -1.620 10.086 1.00 0.00 N ATOM 1336 CA GLU A 116 -6.036 -0.887 11.185 1.00 0.00 C ATOM 1337 C GLU A 116 -7.128 -1.733 11.851 1.00 0.00 C ATOM 1338 O GLU A 116 -6.943 -2.237 12.958 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.588 0.476 10.709 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.727 1.404 11.922 1.00 0.00 C ATOM 1341 CD GLU A 116 -7.490 2.709 11.675 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.611 2.683 11.100 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -6.949 3.785 12.016 1.00 0.00 O ATOM 0 H GLU A 116 -5.869 -1.500 9.188 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.271 -0.683 11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.918 0.917 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.555 0.343 10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.229 0.856 12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.729 1.651 12.284 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.291 -1.825 11.193 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.533 -2.406 11.689 1.00 0.00 C ATOM 1352 C LYS A 117 -10.547 -2.423 10.555 1.00 0.00 C ATOM 1353 O LYS A 117 -10.662 -3.441 9.873 1.00 0.00 O ATOM 1354 CB LYS A 117 -10.011 -1.674 12.962 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.985 -2.634 14.158 1.00 0.00 C ATOM 1356 CD LYS A 117 -10.070 -1.902 15.500 1.00 0.00 C ATOM 1357 CE LYS A 117 -8.803 -1.086 15.808 1.00 0.00 C ATOM 1358 NZ LYS A 117 -7.633 -1.948 16.064 1.00 0.00 N ATOM 0 H LYS A 117 -8.390 -1.472 10.241 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.384 -3.439 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.370 -0.815 13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.021 -1.291 12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.817 -3.334 14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.069 -3.223 14.127 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.934 -1.237 15.493 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.233 -2.628 16.296 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.587 -0.423 14.970 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -8.983 -0.453 16.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.941 -1.431 16.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.937 -2.804 16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.196 -2.217 15.160 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.192 -1.291 10.274 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.272 -1.143 9.306 1.00 0.00 C ATOM 1374 C GLY A 118 -11.783 -1.104 7.865 1.00 0.00 C ATOM 1375 O GLY A 118 -12.217 -0.255 7.095 1.00 0.00 O ATOM 0 H GLY A 118 -10.963 -0.412 10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.972 -1.970 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.822 -0.227 9.522 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.910 -2.038 7.483 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.247 -2.140 6.187 1.00 0.00 C ATOM 1381 C ASN A 119 -9.569 -0.815 5.813 1.00 0.00 C ATOM 1382 O ASN A 119 -9.926 -0.148 4.843 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.190 -2.671 5.094 1.00 0.00 C ATOM 1384 CG ASN A 119 -11.967 -3.913 5.507 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.313 -5.056 5.598 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -13.167 -3.855 5.773 1.00 0.00 N flip ATOM 0 H ASN A 119 -10.631 -2.790 8.113 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.455 -2.884 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.895 -1.886 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.606 -2.898 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.663 -2.967 5.700 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.665 -4.695 6.067 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.536 -0.470 6.579 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.708 0.714 6.419 1.00 0.00 C ATOM 1395 C HIS A 120 -6.260 0.264 6.612 1.00 0.00 C ATOM 1396 O HIS A 120 -5.980 -0.486 7.546 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.153 1.742 7.469 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.219 2.901 7.722 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.167 3.636 8.881 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.213 3.358 6.919 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.122 4.471 8.804 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.520 4.337 7.618 1.00 0.00 N ATOM 0 H HIS A 120 -8.242 -1.043 7.370 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.802 1.182 5.439 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.119 2.144 7.163 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.309 1.219 8.412 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.813 3.559 9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.995 3.018 5.917 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -5.812 5.151 9.584 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.357 0.673 5.722 1.00 0.00 N ATOM 1411 CA ILE A 121 -3.924 0.434 5.803 1.00 0.00 C ATOM 1412 C ILE A 121 -3.238 1.691 6.339 1.00 0.00 C ATOM 1413 O ILE A 121 -3.324 2.760 5.738 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.340 0.102 4.409 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.245 -0.753 3.500 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -1.960 -0.552 4.597 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.407 -2.195 3.947 1.00 0.00 C ATOM 0 H ILE A 121 -5.619 1.202 4.891 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.750 -0.412 6.467 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.256 1.048 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.230 -0.289 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.836 -0.743 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.535 -0.792 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.299 0.138 5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.067 -1.466 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.059 -2.721 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.432 -2.681 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.847 -2.220 4.944 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.440 1.528 7.389 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.461 2.507 7.830 1.00 0.00 C ATOM 1431 C LEU A 122 -0.248 2.381 6.913 1.00 0.00 C ATOM 1432 O LEU A 122 0.773 1.808 7.307 1.00 0.00 O ATOM 1433 CB LEU A 122 -1.045 2.194 9.281 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.989 2.669 10.383 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.930 4.195 10.516 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -3.448 2.263 10.188 1.00 0.00 C ATOM 0 H LEU A 122 -2.459 0.689 7.969 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.872 3.516 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.927 1.115 9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.065 2.638 9.457 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.635 2.173 11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.608 4.518 11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.913 4.500 10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.226 4.654 9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.045 2.643 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.820 2.680 9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.522 1.176 10.156 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.349 2.878 5.680 1.00 0.00 N ATOM 1449 CA ALA A 123 0.769 2.912 4.755 1.00 0.00 C ATOM 1450 C ALA A 123 2.010 3.546 5.390 1.00 0.00 C ATOM 1451 O ALA A 123 1.942 4.558 6.086 1.00 0.00 O ATOM 1452 CB ALA A 123 0.400 3.663 3.481 1.00 0.00 C ATOM 0 H ALA A 123 -1.212 3.267 5.300 1.00 0.00 H new ATOM 0 HA ALA A 123 1.005 1.878 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.255 3.674 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.440 3.166 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.121 4.687 3.730 1.00 0.00 H new ATOM 1458 N LYS A 124 3.162 2.957 5.090 1.00 0.00 N ATOM 1459 CA LYS A 124 4.481 3.308 5.606 1.00 0.00 C ATOM 1460 C LYS A 124 5.361 3.886 4.503 1.00 0.00 C ATOM 1461 O LYS A 124 6.353 4.548 4.802 1.00 0.00 O ATOM 1462 CB LYS A 124 5.076 2.074 6.326 1.00 0.00 C ATOM 1463 CG LYS A 124 5.846 1.100 5.412 1.00 0.00 C ATOM 1464 CD LYS A 124 7.353 1.396 5.442 1.00 0.00 C ATOM 1465 CE LYS A 124 8.068 0.553 6.505 1.00 0.00 C ATOM 1466 NZ LYS A 124 9.495 0.916 6.625 1.00 0.00 N ATOM 0 H LYS A 124 3.203 2.173 4.439 1.00 0.00 H new ATOM 0 HA LYS A 124 4.411 4.105 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.747 2.419 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.267 1.530 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.666 0.074 5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.475 1.183 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.785 1.192 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.513 2.455 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.576 0.689 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.982 -0.503 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.944 0.324 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.970 0.762 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.577 1.917 6.894 1.00 0.00 H new ATOM 1480 N GLU A 125 5.000 3.676 3.231 1.00 0.00 N ATOM 1481 CA GLU A 125 5.857 4.026 2.104 1.00 0.00 C ATOM 1482 C GLU A 125 5.136 4.675 0.931 1.00 0.00 C ATOM 1483 O GLU A 125 5.653 5.674 0.450 1.00 0.00 O ATOM 1484 CB GLU A 125 6.695 2.798 1.702 1.00 0.00 C ATOM 1485 CG GLU A 125 5.865 1.582 1.250 1.00 0.00 C ATOM 1486 CD GLU A 125 6.674 0.281 1.236 1.00 0.00 C ATOM 1487 OE1 GLU A 125 7.243 -0.122 2.267 1.00 0.00 O ATOM 1488 OE2 GLU A 125 6.621 -0.445 0.215 1.00 0.00 O ATOM 0 H GLU A 125 4.109 3.260 2.960 1.00 0.00 H new ATOM 0 HA GLU A 125 6.527 4.818 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.370 3.082 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.316 2.504 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.009 1.465 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.470 1.769 0.252 1.00 0.00 H new ATOM 1495 N VAL A 126 3.957 4.183 0.530 1.00 0.00 N ATOM 1496 CA VAL A 126 3.197 4.658 -0.632 1.00 0.00 C ATOM 1497 C VAL A 126 4.081 4.717 -1.887 1.00 0.00 C ATOM 1498 O VAL A 126 4.724 5.714 -2.203 1.00 0.00 O ATOM 1499 CB VAL A 126 2.507 6.002 -0.341 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.739 6.497 -1.582 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.476 5.867 0.779 1.00 0.00 C ATOM 0 H VAL A 126 3.492 3.420 1.021 1.00 0.00 H new ATOM 0 HA VAL A 126 2.406 3.936 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 126 3.295 6.699 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.258 7.449 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.434 6.629 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.981 5.764 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.007 6.834 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.715 5.143 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.970 5.527 1.689 1.00 0.00 H new ATOM 1511 N LEU A 127 4.083 3.625 -2.637 1.00 0.00 N ATOM 1512 CA LEU A 127 4.780 3.525 -3.907 1.00 0.00 C ATOM 1513 C LEU A 127 3.761 3.752 -5.024 1.00 0.00 C ATOM 1514 O LEU A 127 2.557 3.592 -4.822 1.00 0.00 O ATOM 1515 CB LEU A 127 5.464 2.150 -3.969 1.00 0.00 C ATOM 1516 CG LEU A 127 6.636 2.015 -2.968 1.00 0.00 C ATOM 1517 CD1 LEU A 127 7.064 0.551 -2.848 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.840 2.880 -3.357 1.00 0.00 C ATOM 0 H LEU A 127 3.592 2.771 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 127 5.560 4.278 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.727 1.374 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.835 1.979 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 127 6.275 2.373 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.889 0.470 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.223 -0.046 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.385 0.185 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.635 2.749 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.202 2.579 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.541 3.928 -3.385 1.00 0.00 H new ATOM 1530 N ALA A 128 4.227 4.115 -6.217 1.00 0.00 N ATOM 1531 CA ALA A 128 3.402 4.714 -7.269 1.00 0.00 C ATOM 1532 C ALA A 128 3.313 3.852 -8.539 1.00 0.00 C ATOM 1533 O ALA A 128 2.991 4.361 -9.609 1.00 0.00 O ATOM 1534 CB ALA A 128 3.940 6.122 -7.543 1.00 0.00 C ATOM 0 H ALA A 128 5.204 4.000 -6.486 1.00 0.00 H new ATOM 0 HA ALA A 128 2.370 4.775 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.344 6.594 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.881 6.718 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.978 6.058 -7.868 1.00 0.00 H new ATOM 1540 N LYS A 129 3.647 2.556 -8.436 1.00 0.00 N ATOM 1541 CA LYS A 129 3.827 1.606 -9.547 1.00 0.00 C ATOM 1542 C LYS A 129 4.498 2.275 -10.755 1.00 0.00 C ATOM 1543 O LYS A 129 4.072 2.129 -11.903 1.00 0.00 O ATOM 1544 CB LYS A 129 2.495 0.909 -9.888 1.00 0.00 C ATOM 1545 CG LYS A 129 2.092 -0.210 -8.915 1.00 0.00 C ATOM 1546 CD LYS A 129 3.009 -1.439 -9.021 1.00 0.00 C ATOM 1547 CE LYS A 129 2.293 -2.730 -8.603 1.00 0.00 C ATOM 1548 NZ LYS A 129 3.112 -3.929 -8.875 1.00 0.00 N ATOM 0 H LYS A 129 3.807 2.119 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 129 4.513 0.821 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.703 1.658 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.565 0.492 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.119 0.173 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.063 -0.509 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.365 -1.538 -10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.887 -1.291 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.057 -2.686 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.346 -2.809 -9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.592 -4.779 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.317 -3.986 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.005 -3.867 -8.345 1.00 0.00 H new