USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 825 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 66 ASN : amide:sc= -0.276 K(o=1,f=-8.1!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 166:sc= 1.3 (180deg=0) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.0337 K(o=1.4,f=0.46) USER MOD Set 2.2: A 72 HIS : no HD1:sc= 0.0927 K(o=1.4,f=-10!) USER MOD Set 2.3: B 3 THR OG1 : rot 29:sc= 1.29 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0075) USER MOD Set 3.2: A 24 TYR OH : rot -136:sc= 1.21 USER MOD Single : A 15 CYS SG : rot -98:sc= 0.696 USER MOD Single : A 16 CYS SG : rot 43:sc= 0.00555 USER MOD Single : A 22 ASN : amide:sc=-0.00592 X(o=-0.0059,f=0.0048) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 29 HIS : no HE2:sc= -4.18! C(o=-4.2!,f=-10!) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.102 (180deg=-0.456) USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= 0.636 (180deg=-0.119) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -103:sc= 1.31 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.414 K(o=0.41,f=-4.2!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 74 GLN : amide:sc= -1.96! C(o=-2!,f=-6.9!) USER MOD Single : A 77 SER OG : rot 88:sc= 1.26 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 98 GLN : amide:sc= 0.574 K(o=0.57,f=-0.024) USER MOD Single : A 100 GLN : amide:sc= -0.615 K(o=-0.62,f=-4.9!) USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0151 (180deg=-0.239) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.418 -4.877 -4.784 1.00 0.00 N ATOM 107 CA LEU A 11 -9.991 -4.968 -4.527 1.00 0.00 C ATOM 108 C LEU A 11 -9.455 -3.586 -4.178 1.00 0.00 C ATOM 109 O LEU A 11 -8.963 -2.864 -5.051 1.00 0.00 O ATOM 110 CB LEU A 11 -9.232 -5.567 -5.724 1.00 0.00 C ATOM 111 CG LEU A 11 -9.580 -7.022 -6.085 1.00 0.00 C ATOM 112 CD1 LEU A 11 -9.547 -7.905 -4.851 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.925 -7.122 -6.789 1.00 0.00 C ATOM 0 HA LEU A 11 -9.832 -5.642 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.420 -4.942 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.164 -5.511 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.821 -7.377 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.796 -8.929 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.549 -7.881 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.272 -7.540 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.134 -8.165 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.707 -6.735 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.898 -6.538 -7.709 1.00 0.00 H new ATOM 125 N PRO A 12 -9.582 -3.209 -2.886 1.00 0.00 N ATOM 126 CA PRO A 12 -9.236 -1.878 -2.387 1.00 0.00 C ATOM 127 C PRO A 12 -7.939 -1.351 -2.967 1.00 0.00 C ATOM 128 O PRO A 12 -6.866 -1.906 -2.733 1.00 0.00 O ATOM 129 CB PRO A 12 -9.102 -2.095 -0.883 1.00 0.00 C ATOM 130 CG PRO A 12 -10.061 -3.187 -0.586 1.00 0.00 C ATOM 131 CD PRO A 12 -10.069 -4.082 -1.801 1.00 0.00 C ATOM 0 HA PRO A 12 -9.983 -1.134 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.084 -2.374 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.345 -1.190 -0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.758 -3.740 0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.056 -2.788 -0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.422 -4.948 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.069 -4.461 -2.011 1.00 0.00 H new ATOM 139 N ARG A 13 -8.053 -0.282 -3.730 1.00 0.00 N ATOM 140 CA ARG A 13 -6.907 0.292 -4.399 1.00 0.00 C ATOM 141 C ARG A 13 -6.191 1.272 -3.491 1.00 0.00 C ATOM 142 O ARG A 13 -6.809 2.163 -2.899 1.00 0.00 O ATOM 143 CB ARG A 13 -7.341 0.979 -5.696 1.00 0.00 C ATOM 144 CG ARG A 13 -8.522 1.921 -5.526 1.00 0.00 C ATOM 145 CD ARG A 13 -8.992 2.472 -6.861 1.00 0.00 C ATOM 146 NE ARG A 13 -10.271 3.167 -6.747 1.00 0.00 N ATOM 147 CZ ARG A 13 -11.368 2.801 -7.407 1.00 0.00 C ATOM 148 NH1 ARG A 13 -11.346 1.743 -8.209 1.00 0.00 N ATOM 149 NH2 ARG A 13 -12.493 3.477 -7.254 1.00 0.00 N ATOM 0 H ARG A 13 -8.932 0.207 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.213 -0.511 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.497 1.538 -6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.599 0.217 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.343 1.393 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.240 2.745 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.241 3.157 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.086 1.656 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.327 3.976 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.486 1.206 -8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.189 1.467 -8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.523 4.282 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.331 3.194 -7.761 1.00 0.00 H new ATOM 163 N LEU A 14 -4.890 1.092 -3.371 1.00 0.00 N ATOM 164 CA LEU A 14 -4.071 2.000 -2.601 1.00 0.00 C ATOM 165 C LEU A 14 -3.387 2.952 -3.560 1.00 0.00 C ATOM 166 O LEU A 14 -2.437 2.582 -4.251 1.00 0.00 O ATOM 167 CB LEU A 14 -3.040 1.231 -1.771 1.00 0.00 C ATOM 168 CG LEU A 14 -2.242 2.075 -0.774 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.166 2.743 0.230 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.218 1.214 -0.056 1.00 0.00 C ATOM 0 H LEU A 14 -4.378 0.321 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.694 2.561 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.555 0.441 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.341 0.744 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.719 2.855 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.576 3.337 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.867 3.391 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.719 1.981 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.658 1.827 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.728 0.415 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.532 0.781 -0.784 1.00 0.00 H new ATOM 182 N CYS A 15 -3.886 4.169 -3.614 1.00 0.00 N ATOM 183 CA CYS A 15 -3.428 5.126 -4.596 1.00 0.00 C ATOM 184 C CYS A 15 -2.403 6.073 -3.996 1.00 0.00 C ATOM 185 O CYS A 15 -2.671 6.734 -2.993 1.00 0.00 O ATOM 186 CB CYS A 15 -4.619 5.916 -5.143 1.00 0.00 C ATOM 187 SG CYS A 15 -5.949 4.880 -5.789 1.00 0.00 S ATOM 0 H CYS A 15 -4.611 4.519 -2.987 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.950 4.583 -5.411 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.017 6.549 -4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.270 6.578 -5.935 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.837 4.786 -7.081 1.00 0.00 H new ATOM 193 N CYS A 16 -1.228 6.121 -4.600 1.00 0.00 N ATOM 194 CA CYS A 16 -0.221 7.081 -4.196 1.00 0.00 C ATOM 195 C CYS A 16 -0.417 8.375 -4.974 1.00 0.00 C ATOM 196 O CYS A 16 -0.143 8.444 -6.172 1.00 0.00 O ATOM 197 CB CYS A 16 1.185 6.514 -4.416 1.00 0.00 C ATOM 198 SG CYS A 16 1.466 5.833 -6.067 1.00 0.00 S ATOM 0 H CYS A 16 -0.951 5.509 -5.368 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.328 7.290 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.914 7.303 -4.233 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.368 5.733 -3.678 1.00 0.00 H new ATOM 0 HG CYS A 16 0.952 6.629 -6.958 1.00 0.00 H new ATOM 204 N LEU A 17 -0.921 9.388 -4.295 1.00 0.00 N ATOM 205 CA LEU A 17 -1.183 10.670 -4.925 1.00 0.00 C ATOM 206 C LEU A 17 0.038 11.563 -4.821 1.00 0.00 C ATOM 207 O LEU A 17 0.791 11.487 -3.850 1.00 0.00 O ATOM 208 CB LEU A 17 -2.398 11.357 -4.300 1.00 0.00 C ATOM 209 CG LEU A 17 -3.760 10.854 -4.784 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.041 9.447 -4.300 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.859 11.797 -4.339 1.00 0.00 C ATOM 0 H LEU A 17 -1.158 9.348 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.404 10.491 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.348 11.232 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.333 12.426 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.735 10.828 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.017 9.125 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.272 8.772 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.036 9.429 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.822 11.426 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.869 11.856 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.678 12.788 -4.755 1.00 0.00 H new ATOM 223 N GLU A 18 0.220 12.407 -5.821 1.00 0.00 N ATOM 224 CA GLU A 18 1.418 13.218 -5.933 1.00 0.00 C ATOM 225 C GLU A 18 1.112 14.681 -5.634 1.00 0.00 C ATOM 226 O GLU A 18 0.147 15.239 -6.153 1.00 0.00 O ATOM 227 CB GLU A 18 1.991 13.076 -7.340 1.00 0.00 C ATOM 228 CG GLU A 18 2.192 11.630 -7.763 1.00 0.00 C ATOM 229 CD GLU A 18 2.463 11.489 -9.243 1.00 0.00 C ATOM 230 OE1 GLU A 18 3.632 11.638 -9.654 1.00 0.00 O ATOM 231 OE2 GLU A 18 1.508 11.238 -10.007 1.00 0.00 O ATOM 0 H GLU A 18 -0.454 12.549 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 18 2.150 12.872 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.322 13.565 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.946 13.598 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.024 11.204 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.305 11.053 -7.503 1.00 0.00 H new ATOM 238 N LYS A 19 1.928 15.286 -4.781 1.00 0.00 N ATOM 239 CA LYS A 19 1.779 16.691 -4.432 1.00 0.00 C ATOM 240 C LYS A 19 2.082 17.575 -5.639 1.00 0.00 C ATOM 241 O LYS A 19 3.241 17.807 -5.987 1.00 0.00 O ATOM 242 CB LYS A 19 2.697 17.045 -3.257 1.00 0.00 C ATOM 243 CG LYS A 19 2.587 18.491 -2.787 1.00 0.00 C ATOM 244 CD LYS A 19 1.171 18.855 -2.356 1.00 0.00 C ATOM 245 CE LYS A 19 0.619 17.906 -1.303 1.00 0.00 C ATOM 246 NZ LYS A 19 1.437 17.881 -0.061 1.00 0.00 N ATOM 0 H LYS A 19 2.706 14.820 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 19 0.747 16.869 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.467 16.385 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.729 16.847 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.271 18.652 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.902 19.157 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.165 19.872 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.516 18.846 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.401 18.200 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.568 16.900 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.987 17.257 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.389 17.525 -0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.508 18.843 0.328 1.00 0.00 H new ATOM 260 N GLY A 20 1.022 18.047 -6.271 1.00 0.00 N ATOM 261 CA GLY A 20 1.152 18.864 -7.461 1.00 0.00 C ATOM 262 C GLY A 20 1.246 20.343 -7.146 1.00 0.00 C ATOM 263 O GLY A 20 2.145 20.767 -6.419 1.00 0.00 O ATOM 0 H GLY A 20 0.060 17.877 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.040 18.557 -8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.296 18.689 -8.113 1.00 0.00 H new ATOM 267 N PRO A 21 0.318 21.156 -7.678 1.00 0.00 N ATOM 268 CA PRO A 21 0.338 22.614 -7.498 1.00 0.00 C ATOM 269 C PRO A 21 0.155 23.031 -6.039 1.00 0.00 C ATOM 270 O PRO A 21 1.013 23.699 -5.461 1.00 0.00 O ATOM 271 CB PRO A 21 -0.844 23.098 -8.348 1.00 0.00 C ATOM 272 CG PRO A 21 -1.730 21.910 -8.497 1.00 0.00 C ATOM 273 CD PRO A 21 -0.819 20.717 -8.504 1.00 0.00 C ATOM 0 HA PRO A 21 1.296 23.042 -7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.368 23.921 -7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.508 23.463 -9.319 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.445 21.851 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.307 21.966 -9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.305 19.837 -8.084 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.505 20.456 -9.515 1.00 0.00 H new ATOM 281 N ASN A 22 -0.962 22.634 -5.447 1.00 0.00 N ATOM 282 CA ASN A 22 -1.266 22.991 -4.064 1.00 0.00 C ATOM 283 C ASN A 22 -1.928 21.826 -3.348 1.00 0.00 C ATOM 284 O ASN A 22 -2.666 22.011 -2.382 1.00 0.00 O ATOM 285 CB ASN A 22 -2.177 24.230 -4.008 1.00 0.00 C ATOM 286 CG ASN A 22 -3.484 24.045 -4.760 1.00 0.00 C ATOM 287 OD1 ASN A 22 -4.472 23.557 -4.210 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.508 24.453 -6.019 1.00 0.00 N ATOM 0 H ASN A 22 -1.675 22.064 -5.901 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.328 23.227 -3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.395 24.466 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.643 25.085 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.364 24.368 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.670 24.852 -6.442 1.00 0.00 H new ATOM 295 N GLY A 23 -1.642 20.620 -3.813 1.00 0.00 N ATOM 296 CA GLY A 23 -2.310 19.452 -3.288 1.00 0.00 C ATOM 297 C GLY A 23 -2.265 18.298 -4.260 1.00 0.00 C ATOM 298 O GLY A 23 -1.203 17.979 -4.789 1.00 0.00 O ATOM 0 H GLY A 23 -0.958 20.431 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.841 19.156 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.348 19.697 -3.062 1.00 0.00 H new ATOM 302 N TYR A 24 -3.409 17.683 -4.515 1.00 0.00 N ATOM 303 CA TYR A 24 -3.462 16.496 -5.358 1.00 0.00 C ATOM 304 C TYR A 24 -4.481 16.665 -6.475 1.00 0.00 C ATOM 305 O TYR A 24 -4.313 16.116 -7.561 1.00 0.00 O ATOM 306 CB TYR A 24 -3.779 15.272 -4.500 1.00 0.00 C ATOM 307 CG TYR A 24 -2.859 15.179 -3.313 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.540 14.786 -3.475 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.290 15.532 -2.043 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.675 14.736 -2.405 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.431 15.480 -0.965 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.124 15.086 -1.151 1.00 0.00 C ATOM 313 OH TYR A 24 -0.263 15.047 -0.078 1.00 0.00 O ATOM 0 H TYR A 24 -4.313 17.985 -4.151 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.489 16.352 -5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.813 15.324 -4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.688 14.369 -5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.184 14.514 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.311 15.852 -1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.349 14.424 -2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.782 15.747 0.021 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.712 14.631 0.687 1.00 0.00 H new ATOM 323 N GLY A 25 -5.538 17.418 -6.202 1.00 0.00 N ATOM 324 CA GLY A 25 -6.455 17.814 -7.247 1.00 0.00 C ATOM 325 C GLY A 25 -7.842 17.216 -7.116 1.00 0.00 C ATOM 326 O GLY A 25 -8.537 17.051 -8.119 1.00 0.00 O ATOM 0 H GLY A 25 -5.775 17.762 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.539 18.901 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.036 17.525 -8.211 1.00 0.00 H new ATOM 330 N PHE A 26 -8.275 16.909 -5.905 1.00 0.00 N ATOM 331 CA PHE A 26 -9.627 16.398 -5.725 1.00 0.00 C ATOM 332 C PHE A 26 -10.335 17.112 -4.588 1.00 0.00 C ATOM 333 O PHE A 26 -9.703 17.698 -3.711 1.00 0.00 O ATOM 334 CB PHE A 26 -9.636 14.884 -5.484 1.00 0.00 C ATOM 335 CG PHE A 26 -8.975 14.441 -4.208 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.598 14.333 -4.123 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.739 14.116 -3.097 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.996 13.909 -2.954 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.141 13.689 -1.929 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.769 13.586 -1.858 1.00 0.00 C ATOM 0 H PHE A 26 -7.727 17.001 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.167 16.595 -6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.670 14.538 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.140 14.395 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.988 14.583 -4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.815 14.198 -3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.920 13.830 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.747 13.436 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.299 13.253 -0.945 1.00 0.00 H new ATOM 350 N HIS A 27 -11.654 17.068 -4.622 1.00 0.00 N ATOM 351 CA HIS A 27 -12.461 17.686 -3.587 1.00 0.00 C ATOM 352 C HIS A 27 -13.003 16.617 -2.655 1.00 0.00 C ATOM 353 O HIS A 27 -13.765 15.743 -3.079 1.00 0.00 O ATOM 354 CB HIS A 27 -13.623 18.485 -4.192 1.00 0.00 C ATOM 355 CG HIS A 27 -13.203 19.633 -5.064 1.00 0.00 C ATOM 356 ND1 HIS A 27 -12.996 20.909 -4.586 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.967 19.693 -6.398 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.652 21.700 -5.586 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.628 20.990 -6.694 1.00 0.00 N ATOM 0 H HIS A 27 -12.191 16.609 -5.358 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.829 18.376 -3.028 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.246 17.809 -4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.244 18.869 -3.382 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.033 18.873 -7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.428 22.754 -5.508 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.395 21.345 -7.621 1.00 0.00 H new ATOM 368 N LEU A 28 -12.614 16.693 -1.394 1.00 0.00 N ATOM 369 CA LEU A 28 -13.057 15.734 -0.401 1.00 0.00 C ATOM 370 C LEU A 28 -14.221 16.342 0.362 1.00 0.00 C ATOM 371 O LEU A 28 -14.086 17.407 0.966 1.00 0.00 O ATOM 372 CB LEU A 28 -11.887 15.402 0.550 1.00 0.00 C ATOM 373 CG LEU A 28 -12.068 14.216 1.522 1.00 0.00 C ATOM 374 CD1 LEU A 28 -13.055 14.534 2.633 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.500 12.966 0.776 1.00 0.00 C ATOM 0 H LEU A 28 -11.989 17.414 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.382 14.808 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.005 15.205 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.673 16.292 1.142 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.098 14.033 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.151 13.671 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.696 15.390 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.027 14.769 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.621 12.144 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.448 13.153 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.742 12.702 0.039 1.00 0.00 H new ATOM 387 N HIS A 29 -15.365 15.680 0.325 1.00 0.00 N ATOM 388 CA HIS A 29 -16.518 16.167 1.053 1.00 0.00 C ATOM 389 C HIS A 29 -16.781 15.262 2.238 1.00 0.00 C ATOM 390 O HIS A 29 -16.863 14.039 2.105 1.00 0.00 O ATOM 391 CB HIS A 29 -17.771 16.300 0.158 1.00 0.00 C ATOM 392 CG HIS A 29 -18.445 15.010 -0.228 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.490 14.460 0.489 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.251 14.187 -1.285 1.00 0.00 C ATOM 395 CE1 HIS A 29 -19.903 13.359 -0.109 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.169 13.173 -1.188 1.00 0.00 N ATOM 0 H HIS A 29 -15.517 14.816 -0.195 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.295 17.173 1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.498 16.926 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.488 16.826 -0.754 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -19.882 14.846 1.348 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.510 14.307 -2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.705 12.719 0.228 1.00 0.00 H new ATOM 405 N GLY A 30 -16.871 15.870 3.398 1.00 0.00 N ATOM 406 CA GLY A 30 -17.127 15.124 4.598 1.00 0.00 C ATOM 407 C GLY A 30 -18.422 15.553 5.217 1.00 0.00 C ATOM 408 O GLY A 30 -18.660 16.747 5.409 1.00 0.00 O ATOM 0 H GLY A 30 -16.770 16.876 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.161 14.059 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.312 15.272 5.306 1.00 0.00 H new ATOM 412 N GLU A 31 -19.264 14.591 5.513 1.00 0.00 N ATOM 413 CA GLU A 31 -20.573 14.876 6.051 1.00 0.00 C ATOM 414 C GLU A 31 -20.479 15.054 7.555 1.00 0.00 C ATOM 415 O GLU A 31 -19.516 14.605 8.184 1.00 0.00 O ATOM 416 CB GLU A 31 -21.537 13.749 5.681 1.00 0.00 C ATOM 417 CG GLU A 31 -21.560 13.454 4.185 1.00 0.00 C ATOM 418 CD GLU A 31 -21.767 14.703 3.344 1.00 0.00 C ATOM 419 OE1 GLU A 31 -22.891 15.246 3.347 1.00 0.00 O ATOM 420 OE2 GLU A 31 -20.809 15.148 2.669 1.00 0.00 O ATOM 0 H GLU A 31 -19.064 13.598 5.389 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.956 15.803 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.255 12.845 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.542 14.015 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.622 12.979 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -22.356 12.741 3.972 1.00 0.00 H new ATOM 427 N LYS A 32 -21.465 15.728 8.124 1.00 0.00 N ATOM 428 CA LYS A 32 -21.432 16.083 9.530 1.00 0.00 C ATOM 429 C LYS A 32 -21.629 14.852 10.404 1.00 0.00 C ATOM 430 O LYS A 32 -22.756 14.405 10.627 1.00 0.00 O ATOM 431 CB LYS A 32 -22.501 17.133 9.837 1.00 0.00 C ATOM 432 CG LYS A 32 -22.266 17.879 11.136 1.00 0.00 C ATOM 433 CD LYS A 32 -20.941 18.623 11.107 1.00 0.00 C ATOM 434 CE LYS A 32 -20.759 19.492 12.338 1.00 0.00 C ATOM 435 NZ LYS A 32 -21.827 20.518 12.452 1.00 0.00 N ATOM 0 H LYS A 32 -22.301 16.041 7.630 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.452 16.505 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.539 17.851 9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -23.475 16.646 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.079 18.585 11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.274 17.176 11.969 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.122 17.906 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -20.892 19.244 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.761 18.865 13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.787 19.983 12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.513 21.277 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -22.028 20.916 11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -22.690 20.080 12.834 1.00 0.00 H new ATOM 449 N GLY A 33 -20.522 14.307 10.879 1.00 0.00 N ATOM 450 CA GLY A 33 -20.556 13.128 11.711 1.00 0.00 C ATOM 451 C GLY A 33 -19.186 12.495 11.813 1.00 0.00 C ATOM 452 O GLY A 33 -18.174 13.190 11.700 1.00 0.00 O ATOM 0 H GLY A 33 -19.586 14.669 10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.913 13.392 12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.263 12.408 11.299 1.00 0.00 H new ATOM 456 N LYS A 34 -19.148 11.187 12.002 1.00 0.00 N ATOM 457 CA LYS A 34 -17.891 10.470 12.112 1.00 0.00 C ATOM 458 C LYS A 34 -17.587 9.777 10.795 1.00 0.00 C ATOM 459 O LYS A 34 -16.567 10.039 10.161 1.00 0.00 O ATOM 460 CB LYS A 34 -17.961 9.446 13.248 1.00 0.00 C ATOM 461 CG LYS A 34 -18.238 10.069 14.610 1.00 0.00 C ATOM 462 CD LYS A 34 -17.060 10.900 15.097 1.00 0.00 C ATOM 463 CE LYS A 34 -15.911 10.017 15.560 1.00 0.00 C ATOM 464 NZ LYS A 34 -14.687 10.806 15.857 1.00 0.00 N ATOM 0 H LYS A 34 -19.977 10.599 12.083 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.093 11.178 12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.742 8.719 13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.019 8.899 13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.127 10.697 14.549 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.453 9.282 15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.718 11.554 14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.380 11.542 15.917 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.213 9.467 16.451 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.688 9.278 14.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.958 10.597 15.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.914 11.821 15.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.332 10.554 16.801 1.00 0.00 H new ATOM 478 N LEU A 35 -18.499 8.913 10.376 1.00 0.00 N ATOM 479 CA LEU A 35 -18.344 8.202 9.121 1.00 0.00 C ATOM 480 C LEU A 35 -18.999 8.979 7.989 1.00 0.00 C ATOM 481 O LEU A 35 -20.205 9.232 8.015 1.00 0.00 O ATOM 482 CB LEU A 35 -18.963 6.804 9.202 1.00 0.00 C ATOM 483 CG LEU A 35 -18.385 5.880 10.276 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.106 4.545 10.259 1.00 0.00 C ATOM 485 CD2 LEU A 35 -16.891 5.674 10.069 1.00 0.00 C ATOM 0 H LEU A 35 -19.353 8.689 10.888 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.277 8.103 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.033 6.911 9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.847 6.320 8.232 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.532 6.351 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.687 3.895 11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.167 4.702 10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.983 4.078 9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.504 5.014 10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.718 5.225 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.380 6.635 10.123 1.00 0.00 H new ATOM 497 N GLY A 36 -18.205 9.364 7.005 1.00 0.00 N ATOM 498 CA GLY A 36 -18.752 10.057 5.858 1.00 0.00 C ATOM 499 C GLY A 36 -17.732 10.905 5.126 1.00 0.00 C ATOM 500 O GLY A 36 -17.930 12.107 4.962 1.00 0.00 O ATOM 0 H GLY A 36 -17.197 9.211 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.170 9.326 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.575 10.693 6.185 1.00 0.00 H new ATOM 504 N GLN A 37 -16.639 10.290 4.685 1.00 0.00 N ATOM 505 CA GLN A 37 -15.649 10.995 3.881 1.00 0.00 C ATOM 506 C GLN A 37 -15.654 10.426 2.467 1.00 0.00 C ATOM 507 O GLN A 37 -15.332 9.253 2.266 1.00 0.00 O ATOM 508 CB GLN A 37 -14.244 10.846 4.476 1.00 0.00 C ATOM 509 CG GLN A 37 -14.181 10.960 5.992 1.00 0.00 C ATOM 510 CD GLN A 37 -14.712 12.275 6.532 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.644 13.318 5.872 1.00 0.00 O ATOM 512 NE2 GLN A 37 -15.231 12.227 7.749 1.00 0.00 N ATOM 0 H GLN A 37 -16.418 9.311 4.870 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.908 12.054 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.840 9.878 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.597 11.608 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.750 10.141 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.147 10.838 6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.265 11.342 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.597 13.075 8.181 1.00 0.00 H new ATOM 521 N TYR A 38 -16.013 11.247 1.490 1.00 0.00 N ATOM 522 CA TYR A 38 -16.136 10.773 0.114 1.00 0.00 C ATOM 523 C TYR A 38 -15.531 11.769 -0.870 1.00 0.00 C ATOM 524 O TYR A 38 -15.512 12.979 -0.620 1.00 0.00 O ATOM 525 CB TYR A 38 -17.609 10.557 -0.255 1.00 0.00 C ATOM 526 CG TYR A 38 -18.397 9.711 0.722 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.369 8.325 0.655 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.178 10.307 1.704 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.099 7.555 1.544 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.907 9.546 2.594 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.864 8.172 2.511 1.00 0.00 C ATOM 532 OH TYR A 38 -20.593 7.413 3.399 1.00 0.00 O ATOM 0 H TYR A 38 -16.223 12.237 1.620 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.595 9.829 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.092 11.530 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.657 10.089 -1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.769 7.840 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.215 11.384 1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.069 6.477 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.509 10.025 3.352 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.075 8.003 4.015 1.00 0.00 H new ATOM 542 N ILE A 39 -15.042 11.250 -1.987 1.00 0.00 N ATOM 543 CA ILE A 39 -14.565 12.085 -3.083 1.00 0.00 C ATOM 544 C ILE A 39 -15.756 12.482 -3.944 1.00 0.00 C ATOM 545 O ILE A 39 -16.583 11.637 -4.279 1.00 0.00 O ATOM 546 CB ILE A 39 -13.547 11.342 -3.981 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.540 10.551 -3.137 1.00 0.00 C ATOM 548 CG2 ILE A 39 -12.824 12.334 -4.885 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.659 11.411 -2.263 1.00 0.00 C ATOM 0 H ILE A 39 -14.964 10.248 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.069 12.954 -2.650 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.093 10.632 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.084 9.848 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.909 9.961 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.110 11.801 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.550 12.847 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.295 13.065 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.976 10.776 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.086 12.097 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.279 11.982 -1.571 1.00 0.00 H new ATOM 561 N ARG A 40 -15.876 13.758 -4.278 1.00 0.00 N ATOM 562 CA ARG A 40 -16.990 14.192 -5.106 1.00 0.00 C ATOM 563 C ARG A 40 -16.541 14.510 -6.524 1.00 0.00 C ATOM 564 O ARG A 40 -17.242 14.213 -7.487 1.00 0.00 O ATOM 565 CB ARG A 40 -17.682 15.407 -4.499 1.00 0.00 C ATOM 566 CG ARG A 40 -18.987 15.748 -5.192 1.00 0.00 C ATOM 567 CD ARG A 40 -19.748 16.813 -4.434 1.00 0.00 C ATOM 568 NE ARG A 40 -19.084 18.108 -4.488 1.00 0.00 N ATOM 569 CZ ARG A 40 -19.055 18.965 -3.472 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.626 18.646 -2.316 1.00 0.00 N ATOM 571 NH2 ARG A 40 -18.458 20.141 -3.611 1.00 0.00 N ATOM 0 H ARG A 40 -15.231 14.496 -3.996 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.699 13.365 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.875 15.219 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.012 16.265 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.784 16.094 -6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.601 14.851 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.752 16.904 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.859 16.507 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.615 18.372 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.087 17.743 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.603 19.304 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.020 20.389 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.437 20.797 -2.831 1.00 0.00 H new ATOM 585 N LEU A 41 -15.374 15.117 -6.649 1.00 0.00 N ATOM 586 CA LEU A 41 -14.882 15.535 -7.949 1.00 0.00 C ATOM 587 C LEU A 41 -13.365 15.491 -7.986 1.00 0.00 C ATOM 588 O LEU A 41 -12.700 15.964 -7.060 1.00 0.00 O ATOM 589 CB LEU A 41 -15.370 16.951 -8.269 1.00 0.00 C ATOM 590 CG LEU A 41 -14.945 17.501 -9.634 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.542 16.671 -10.760 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.355 18.959 -9.770 1.00 0.00 C ATOM 0 H LEU A 41 -14.752 15.331 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.269 14.846 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.459 16.962 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.005 17.626 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.859 17.439 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.227 17.080 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.198 15.640 -10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.630 16.697 -10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.046 19.334 -10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.438 19.043 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.876 19.546 -8.987 1.00 0.00 H new ATOM 604 N VAL A 42 -12.833 14.912 -9.048 1.00 0.00 N ATOM 605 CA VAL A 42 -11.400 14.887 -9.274 1.00 0.00 C ATOM 606 C VAL A 42 -11.079 15.729 -10.500 1.00 0.00 C ATOM 607 O VAL A 42 -11.703 15.569 -11.548 1.00 0.00 O ATOM 608 CB VAL A 42 -10.877 13.447 -9.476 1.00 0.00 C ATOM 609 CG1 VAL A 42 -9.361 13.437 -9.573 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.344 12.538 -8.350 1.00 0.00 C ATOM 0 H VAL A 42 -13.379 14.448 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.905 15.295 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.286 13.067 -10.412 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.012 12.414 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.046 14.048 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.935 13.841 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.963 11.530 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.970 12.916 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.434 12.515 -8.329 1.00 0.00 H new ATOM 620 N GLU A 43 -10.129 16.636 -10.358 1.00 0.00 N ATOM 621 CA GLU A 43 -9.799 17.577 -11.413 1.00 0.00 C ATOM 622 C GLU A 43 -9.072 16.850 -12.547 1.00 0.00 C ATOM 623 O GLU A 43 -8.173 16.051 -12.302 1.00 0.00 O ATOM 624 CB GLU A 43 -8.942 18.701 -10.826 1.00 0.00 C ATOM 625 CG GLU A 43 -9.085 20.030 -11.545 1.00 0.00 C ATOM 626 CD GLU A 43 -8.714 21.201 -10.661 1.00 0.00 C ATOM 627 OE1 GLU A 43 -9.591 21.683 -9.911 1.00 0.00 O ATOM 628 OE2 GLU A 43 -7.549 21.645 -10.705 1.00 0.00 O ATOM 0 H GLU A 43 -9.567 16.741 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.707 18.014 -11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.208 18.837 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.896 18.397 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.451 20.031 -12.432 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.113 20.147 -11.888 1.00 0.00 H new ATOM 635 N PRO A 44 -9.466 17.124 -13.807 1.00 0.00 N ATOM 636 CA PRO A 44 -8.992 16.384 -14.993 1.00 0.00 C ATOM 637 C PRO A 44 -7.475 16.408 -15.162 1.00 0.00 C ATOM 638 O PRO A 44 -6.900 15.533 -15.815 1.00 0.00 O ATOM 639 CB PRO A 44 -9.660 17.119 -16.165 1.00 0.00 C ATOM 640 CG PRO A 44 -10.050 18.444 -15.612 1.00 0.00 C ATOM 641 CD PRO A 44 -10.410 18.187 -14.181 1.00 0.00 C ATOM 0 HA PRO A 44 -9.245 15.326 -14.918 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.975 17.228 -17.006 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.529 16.572 -16.531 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.230 19.158 -15.689 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.893 18.866 -16.160 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.286 19.077 -13.564 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.446 17.867 -14.073 1.00 0.00 H new ATOM 649 N GLY A 45 -6.833 17.409 -14.583 1.00 0.00 N ATOM 650 CA GLY A 45 -5.393 17.517 -14.681 1.00 0.00 C ATOM 651 C GLY A 45 -4.708 17.325 -13.344 1.00 0.00 C ATOM 652 O GLY A 45 -3.801 18.081 -12.988 1.00 0.00 O ATOM 0 H GLY A 45 -7.283 18.150 -14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.023 16.773 -15.386 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.131 18.496 -15.083 1.00 0.00 H new ATOM 656 N SER A 46 -5.139 16.316 -12.603 1.00 0.00 N ATOM 657 CA SER A 46 -4.585 16.052 -11.289 1.00 0.00 C ATOM 658 C SER A 46 -3.977 14.654 -11.229 1.00 0.00 C ATOM 659 O SER A 46 -4.462 13.724 -11.873 1.00 0.00 O ATOM 660 CB SER A 46 -5.675 16.184 -10.225 1.00 0.00 C ATOM 661 OG SER A 46 -6.664 15.179 -10.371 1.00 0.00 O ATOM 0 H SER A 46 -5.871 15.667 -12.892 1.00 0.00 H new ATOM 0 HA SER A 46 -3.800 16.783 -11.096 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.228 16.115 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.140 17.167 -10.298 1.00 0.00 H new ATOM 0 HG SER A 46 -7.461 15.563 -10.792 1.00 0.00 H new ATOM 667 N PRO A 47 -2.888 14.500 -10.459 1.00 0.00 N ATOM 668 CA PRO A 47 -2.262 13.198 -10.204 1.00 0.00 C ATOM 669 C PRO A 47 -3.197 12.232 -9.480 1.00 0.00 C ATOM 670 O PRO A 47 -2.916 11.037 -9.392 1.00 0.00 O ATOM 671 CB PRO A 47 -1.064 13.533 -9.311 1.00 0.00 C ATOM 672 CG PRO A 47 -1.349 14.887 -8.761 1.00 0.00 C ATOM 673 CD PRO A 47 -2.156 15.596 -9.803 1.00 0.00 C ATOM 0 HA PRO A 47 -1.992 12.699 -11.135 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.952 12.800 -8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.135 13.528 -9.881 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.898 14.819 -7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.425 15.425 -8.551 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.834 16.326 -9.361 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.522 16.135 -10.507 1.00 0.00 H new ATOM 681 N ALA A 48 -4.288 12.763 -8.940 1.00 0.00 N ATOM 682 CA ALA A 48 -5.263 11.964 -8.215 1.00 0.00 C ATOM 683 C ALA A 48 -5.999 10.992 -9.134 1.00 0.00 C ATOM 684 O ALA A 48 -6.105 9.805 -8.828 1.00 0.00 O ATOM 685 CB ALA A 48 -6.256 12.873 -7.508 1.00 0.00 C ATOM 0 H ALA A 48 -4.519 13.755 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.723 11.371 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.983 12.267 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.725 13.515 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.773 13.489 -8.244 1.00 0.00 H new ATOM 691 N GLU A 49 -6.489 11.487 -10.267 1.00 0.00 N ATOM 692 CA GLU A 49 -7.318 10.671 -11.150 1.00 0.00 C ATOM 693 C GLU A 49 -6.515 9.542 -11.795 1.00 0.00 C ATOM 694 O GLU A 49 -7.025 8.437 -11.983 1.00 0.00 O ATOM 695 CB GLU A 49 -8.022 11.546 -12.203 1.00 0.00 C ATOM 696 CG GLU A 49 -7.112 12.498 -12.970 1.00 0.00 C ATOM 697 CD GLU A 49 -6.512 11.878 -14.217 1.00 0.00 C ATOM 698 OE1 GLU A 49 -7.279 11.525 -15.132 1.00 0.00 O ATOM 699 OE2 GLU A 49 -5.273 11.760 -14.296 1.00 0.00 O ATOM 0 H GLU A 49 -6.329 12.440 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.090 10.200 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.523 10.893 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.797 12.130 -11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.679 13.385 -13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.307 12.829 -12.313 1.00 0.00 H new ATOM 706 N LYS A 50 -5.256 9.812 -12.102 1.00 0.00 N ATOM 707 CA LYS A 50 -4.379 8.807 -12.692 1.00 0.00 C ATOM 708 C LYS A 50 -3.899 7.813 -11.643 1.00 0.00 C ATOM 709 O LYS A 50 -3.396 6.737 -11.972 1.00 0.00 O ATOM 710 CB LYS A 50 -3.189 9.473 -13.383 1.00 0.00 C ATOM 711 CG LYS A 50 -2.376 10.381 -12.479 1.00 0.00 C ATOM 712 CD LYS A 50 -1.312 11.142 -13.251 1.00 0.00 C ATOM 713 CE LYS A 50 -1.927 12.050 -14.303 1.00 0.00 C ATOM 714 NZ LYS A 50 -0.900 12.851 -15.014 1.00 0.00 N ATOM 0 H LYS A 50 -4.816 10.720 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.952 8.258 -13.439 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.536 8.698 -13.784 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.553 10.054 -14.231 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.040 11.088 -11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.902 9.786 -11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.716 11.737 -12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.634 10.436 -13.730 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.480 11.448 -15.024 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.645 12.719 -13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.361 13.457 -15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.389 13.445 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.229 12.213 -15.488 1.00 0.00 H new ATOM 728 N ALA A 51 -4.058 8.178 -10.375 1.00 0.00 N ATOM 729 CA ALA A 51 -3.704 7.296 -9.275 1.00 0.00 C ATOM 730 C ALA A 51 -4.742 6.189 -9.120 1.00 0.00 C ATOM 731 O ALA A 51 -4.532 5.217 -8.394 1.00 0.00 O ATOM 732 CB ALA A 51 -3.578 8.096 -7.985 1.00 0.00 C ATOM 0 H ALA A 51 -4.431 9.082 -10.086 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.743 6.832 -9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.313 7.427 -7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.803 8.853 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.529 8.581 -7.763 1.00 0.00 H new ATOM 738 N GLY A 52 -5.861 6.340 -9.816 1.00 0.00 N ATOM 739 CA GLY A 52 -6.930 5.363 -9.728 1.00 0.00 C ATOM 740 C GLY A 52 -8.092 5.863 -8.898 1.00 0.00 C ATOM 741 O GLY A 52 -9.145 5.234 -8.844 1.00 0.00 O ATOM 0 H GLY A 52 -6.048 7.124 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.280 5.118 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.544 4.442 -9.292 1.00 0.00 H new ATOM 745 N LEU A 53 -7.885 6.996 -8.245 1.00 0.00 N ATOM 746 CA LEU A 53 -8.913 7.627 -7.430 1.00 0.00 C ATOM 747 C LEU A 53 -10.088 8.074 -8.292 1.00 0.00 C ATOM 748 O LEU A 53 -9.901 8.738 -9.316 1.00 0.00 O ATOM 749 CB LEU A 53 -8.318 8.829 -6.711 1.00 0.00 C ATOM 750 CG LEU A 53 -9.221 9.501 -5.680 1.00 0.00 C ATOM 751 CD1 LEU A 53 -9.308 8.668 -4.415 1.00 0.00 C ATOM 752 CD2 LEU A 53 -8.706 10.890 -5.370 1.00 0.00 C ATOM 0 H LEU A 53 -7.001 7.504 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.277 6.902 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.402 8.513 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.035 9.571 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.225 9.583 -6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.957 9.167 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.717 7.686 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.312 8.552 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.356 11.363 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.694 10.822 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.697 11.487 -6.282 1.00 0.00 H new ATOM 764 N LEU A 54 -11.292 7.708 -7.886 1.00 0.00 N ATOM 765 CA LEU A 54 -12.488 8.116 -8.603 1.00 0.00 C ATOM 766 C LEU A 54 -13.247 9.170 -7.813 1.00 0.00 C ATOM 767 O LEU A 54 -13.060 9.319 -6.604 1.00 0.00 O ATOM 768 CB LEU A 54 -13.393 6.912 -8.878 1.00 0.00 C ATOM 769 CG LEU A 54 -12.824 5.874 -9.846 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.815 4.738 -10.045 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.480 6.524 -11.177 1.00 0.00 C ATOM 0 H LEU A 54 -11.467 7.130 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.182 8.544 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.612 6.419 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.341 7.274 -9.276 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.910 5.462 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.396 4.007 -10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.016 4.258 -9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.745 5.134 -10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.076 5.772 -11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.379 6.960 -11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.738 7.306 -11.019 1.00 0.00 H new ATOM 783 N ALA A 55 -14.119 9.892 -8.501 1.00 0.00 N ATOM 784 CA ALA A 55 -14.864 10.984 -7.894 1.00 0.00 C ATOM 785 C ALA A 55 -16.105 10.474 -7.167 1.00 0.00 C ATOM 786 O ALA A 55 -17.160 11.108 -7.187 1.00 0.00 O ATOM 787 CB ALA A 55 -15.241 12.008 -8.952 1.00 0.00 C ATOM 0 H ALA A 55 -14.329 9.739 -9.487 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.225 11.463 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.798 12.822 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.336 12.404 -9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.859 11.533 -9.714 1.00 0.00 H new ATOM 793 N GLY A 56 -15.971 9.320 -6.532 1.00 0.00 N ATOM 794 CA GLY A 56 -17.069 8.758 -5.774 1.00 0.00 C ATOM 795 C GLY A 56 -16.600 7.811 -4.689 1.00 0.00 C ATOM 796 O GLY A 56 -17.414 7.170 -4.030 1.00 0.00 O ATOM 0 H GLY A 56 -15.118 8.761 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.646 9.565 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.739 8.227 -6.450 1.00 0.00 H new ATOM 800 N ASP A 57 -15.287 7.737 -4.489 1.00 0.00 N ATOM 801 CA ASP A 57 -14.709 6.801 -3.531 1.00 0.00 C ATOM 802 C ASP A 57 -14.843 7.311 -2.108 1.00 0.00 C ATOM 803 O ASP A 57 -14.958 8.514 -1.873 1.00 0.00 O ATOM 804 CB ASP A 57 -13.226 6.568 -3.823 1.00 0.00 C ATOM 805 CG ASP A 57 -12.979 5.547 -4.912 1.00 0.00 C ATOM 806 OD1 ASP A 57 -13.216 4.349 -4.674 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.526 5.938 -6.008 1.00 0.00 O ATOM 0 H ASP A 57 -14.603 8.315 -4.978 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.259 5.865 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.768 7.514 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.731 6.240 -2.909 1.00 0.00 H new ATOM 812 N ARG A 58 -14.834 6.385 -1.161 1.00 0.00 N ATOM 813 CA ARG A 58 -14.752 6.734 0.250 1.00 0.00 C ATOM 814 C ARG A 58 -13.359 6.414 0.773 1.00 0.00 C ATOM 815 O ARG A 58 -12.809 5.351 0.477 1.00 0.00 O ATOM 816 CB ARG A 58 -15.806 5.991 1.083 1.00 0.00 C ATOM 817 CG ARG A 58 -15.801 4.481 0.894 1.00 0.00 C ATOM 818 CD ARG A 58 -16.396 3.764 2.097 1.00 0.00 C ATOM 819 NE ARG A 58 -15.518 3.848 3.267 1.00 0.00 N ATOM 820 CZ ARG A 58 -15.877 3.494 4.501 1.00 0.00 C ATOM 821 NH1 ARG A 58 -17.105 3.065 4.747 1.00 0.00 N ATOM 822 NH2 ARG A 58 -14.996 3.580 5.493 1.00 0.00 N ATOM 0 H ARG A 58 -14.883 5.383 -1.345 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.949 7.802 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.643 6.214 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.793 6.375 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.368 4.224 -0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.779 4.137 0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.366 4.200 2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.570 2.717 1.847 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.571 4.200 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.785 3.003 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.371 2.796 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.051 3.916 5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.265 3.310 6.439 1.00 0.00 H new ATOM 836 N LEU A 59 -12.788 7.333 1.539 1.00 0.00 N ATOM 837 CA LEU A 59 -11.457 7.134 2.088 1.00 0.00 C ATOM 838 C LEU A 59 -11.533 6.223 3.303 1.00 0.00 C ATOM 839 O LEU A 59 -12.293 6.480 4.238 1.00 0.00 O ATOM 840 CB LEU A 59 -10.816 8.471 2.471 1.00 0.00 C ATOM 841 CG LEU A 59 -9.361 8.381 2.943 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.480 7.787 1.856 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.844 9.751 3.343 1.00 0.00 C ATOM 0 H LEU A 59 -13.224 8.219 1.793 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.835 6.667 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.862 9.138 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.411 8.929 3.262 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.327 7.727 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.451 7.732 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.833 6.786 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.524 8.417 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.809 9.667 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.897 10.424 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.454 10.148 4.154 1.00 0.00 H new ATOM 855 N VAL A 60 -10.767 5.150 3.271 1.00 0.00 N ATOM 856 CA VAL A 60 -10.759 4.188 4.360 1.00 0.00 C ATOM 857 C VAL A 60 -9.607 4.469 5.318 1.00 0.00 C ATOM 858 O VAL A 60 -9.813 4.674 6.514 1.00 0.00 O ATOM 859 CB VAL A 60 -10.633 2.749 3.818 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.671 1.737 4.949 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.724 2.456 2.797 1.00 0.00 C ATOM 0 H VAL A 60 -10.139 4.920 2.500 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.703 4.286 4.896 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.668 2.663 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.580 0.731 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.845 1.926 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.615 1.827 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.614 1.436 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.701 2.569 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.639 3.153 1.963 1.00 0.00 H new ATOM 871 N GLU A 61 -8.397 4.506 4.789 1.00 0.00 N ATOM 872 CA GLU A 61 -7.227 4.752 5.608 1.00 0.00 C ATOM 873 C GLU A 61 -6.115 5.390 4.791 1.00 0.00 C ATOM 874 O GLU A 61 -6.080 5.268 3.565 1.00 0.00 O ATOM 875 CB GLU A 61 -6.751 3.459 6.282 1.00 0.00 C ATOM 876 CG GLU A 61 -6.636 2.255 5.363 1.00 0.00 C ATOM 877 CD GLU A 61 -6.219 1.005 6.115 1.00 0.00 C ATOM 878 OE1 GLU A 61 -7.047 0.457 6.874 1.00 0.00 O ATOM 879 OE2 GLU A 61 -5.058 0.576 5.964 1.00 0.00 O ATOM 0 H GLU A 61 -8.201 4.369 3.798 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.505 5.455 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.778 3.643 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.440 3.215 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.593 2.081 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.909 2.466 4.578 1.00 0.00 H new ATOM 886 N VAL A 62 -5.221 6.077 5.482 1.00 0.00 N ATOM 887 CA VAL A 62 -4.155 6.828 4.834 1.00 0.00 C ATOM 888 C VAL A 62 -2.793 6.382 5.353 1.00 0.00 C ATOM 889 O VAL A 62 -2.516 6.456 6.554 1.00 0.00 O ATOM 890 CB VAL A 62 -4.340 8.354 5.048 1.00 0.00 C ATOM 891 CG1 VAL A 62 -4.608 8.661 6.507 1.00 0.00 C ATOM 892 CG2 VAL A 62 -3.127 9.139 4.566 1.00 0.00 C ATOM 0 H VAL A 62 -5.212 6.131 6.501 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.204 6.625 3.764 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.201 8.663 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.735 9.736 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.515 8.148 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.767 8.320 7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.293 10.203 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.244 8.819 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.975 8.957 3.502 1.00 0.00 H new ATOM 902 N ASN A 63 -1.966 5.874 4.442 1.00 0.00 N ATOM 903 CA ASN A 63 -0.591 5.481 4.753 1.00 0.00 C ATOM 904 C ASN A 63 -0.510 4.476 5.905 1.00 0.00 C ATOM 905 O ASN A 63 0.509 4.393 6.590 1.00 0.00 O ATOM 906 CB ASN A 63 0.256 6.722 5.072 1.00 0.00 C ATOM 907 CG ASN A 63 0.670 7.484 3.827 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.095 8.272 3.279 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.899 7.274 3.384 1.00 0.00 N ATOM 0 H ASN A 63 -2.229 5.723 3.468 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.194 4.984 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.310 7.384 5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.148 6.417 5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.237 7.775 2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.508 6.612 3.864 1.00 0.00 H new ATOM 916 N GLY A 64 -1.579 3.717 6.127 1.00 0.00 N ATOM 917 CA GLY A 64 -1.526 2.658 7.118 1.00 0.00 C ATOM 918 C GLY A 64 -2.525 2.806 8.253 1.00 0.00 C ATOM 919 O GLY A 64 -2.926 1.808 8.854 1.00 0.00 O ATOM 0 H GLY A 64 -2.472 3.815 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.699 1.704 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.521 2.621 7.538 1.00 0.00 H new ATOM 923 N GLU A 65 -2.927 4.028 8.575 1.00 0.00 N ATOM 924 CA GLU A 65 -3.830 4.224 9.702 1.00 0.00 C ATOM 925 C GLU A 65 -5.251 4.517 9.235 1.00 0.00 C ATOM 926 O GLU A 65 -5.469 5.278 8.288 1.00 0.00 O ATOM 927 CB GLU A 65 -3.323 5.329 10.640 1.00 0.00 C ATOM 928 CG GLU A 65 -3.206 6.709 10.008 1.00 0.00 C ATOM 929 CD GLU A 65 -2.748 7.757 11.005 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.554 8.152 11.871 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.571 8.172 10.939 1.00 0.00 O ATOM 0 H GLU A 65 -2.651 4.880 8.086 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.851 3.291 10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.995 5.394 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.345 5.038 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.502 6.668 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.171 7.001 9.594 1.00 0.00 H new ATOM 938 N ASN A 66 -6.213 3.898 9.918 1.00 0.00 N ATOM 939 CA ASN A 66 -7.630 4.000 9.570 1.00 0.00 C ATOM 940 C ASN A 66 -8.173 5.372 9.951 1.00 0.00 C ATOM 941 O ASN A 66 -8.152 5.750 11.121 1.00 0.00 O ATOM 942 CB ASN A 66 -8.410 2.898 10.299 1.00 0.00 C ATOM 943 CG ASN A 66 -9.882 2.830 9.931 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.727 2.530 10.776 1.00 0.00 O ATOM 945 ND2 ASN A 66 -10.206 3.070 8.671 1.00 0.00 N ATOM 0 H ASN A 66 -6.031 3.310 10.731 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.746 3.874 8.494 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.947 1.936 10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.323 3.057 11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.180 3.009 8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.482 3.316 7.996 1.00 0.00 H new ATOM 952 N VAL A 67 -8.672 6.110 8.966 1.00 0.00 N ATOM 953 CA VAL A 67 -9.118 7.480 9.193 1.00 0.00 C ATOM 954 C VAL A 67 -10.559 7.698 8.746 1.00 0.00 C ATOM 955 O VAL A 67 -10.920 8.784 8.297 1.00 0.00 O ATOM 956 CB VAL A 67 -8.207 8.495 8.471 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.819 8.498 9.089 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.128 8.190 6.978 1.00 0.00 C ATOM 0 H VAL A 67 -8.778 5.784 8.005 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.060 7.643 10.269 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.642 9.487 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.190 9.219 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.890 8.772 10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.380 7.504 9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.480 8.919 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.722 7.189 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.126 8.243 6.542 1.00 0.00 H new ATOM 968 N GLU A 68 -11.388 6.678 8.884 1.00 0.00 N ATOM 969 CA GLU A 68 -12.781 6.800 8.481 1.00 0.00 C ATOM 970 C GLU A 68 -13.635 7.319 9.631 1.00 0.00 C ATOM 971 O GLU A 68 -14.710 7.867 9.407 1.00 0.00 O ATOM 972 CB GLU A 68 -13.325 5.463 7.965 1.00 0.00 C ATOM 973 CG GLU A 68 -13.242 4.337 8.979 1.00 0.00 C ATOM 974 CD GLU A 68 -13.757 3.020 8.440 1.00 0.00 C ATOM 975 OE1 GLU A 68 -14.988 2.873 8.274 1.00 0.00 O ATOM 976 OE2 GLU A 68 -12.933 2.124 8.185 1.00 0.00 O ATOM 0 H GLU A 68 -11.128 5.769 9.266 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.830 7.522 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.365 5.595 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.771 5.176 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.206 4.214 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.815 4.610 9.865 1.00 0.00 H new ATOM 983 N LYS A 69 -13.157 7.153 10.862 1.00 0.00 N ATOM 984 CA LYS A 69 -13.878 7.668 12.020 1.00 0.00 C ATOM 985 C LYS A 69 -13.293 8.996 12.485 1.00 0.00 C ATOM 986 O LYS A 69 -13.663 9.514 13.539 1.00 0.00 O ATOM 987 CB LYS A 69 -13.874 6.674 13.179 1.00 0.00 C ATOM 988 CG LYS A 69 -14.622 5.395 12.884 1.00 0.00 C ATOM 989 CD LYS A 69 -13.688 4.291 12.434 1.00 0.00 C ATOM 990 CE LYS A 69 -12.723 3.898 13.545 1.00 0.00 C ATOM 991 NZ LYS A 69 -11.914 2.702 13.196 1.00 0.00 N ATOM 0 H LYS A 69 -12.285 6.672 11.081 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.910 7.823 11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.843 6.431 13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.315 7.149 14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.161 5.075 13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.367 5.579 12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.270 3.421 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.126 4.620 11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.057 4.735 13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.285 3.699 14.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.121 2.613 13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.510 1.851 13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.544 2.803 12.229 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.368 9.539 11.709 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.772 10.834 12.026 1.00 0.00 C ATOM 1007 C GLU A 70 -12.783 11.942 11.755 1.00 0.00 C ATOM 1008 O GLU A 70 -13.911 11.678 11.339 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.515 11.082 11.182 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.420 10.042 11.349 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.721 10.101 12.694 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -9.239 9.515 13.667 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -7.631 10.713 12.774 1.00 0.00 O ATOM 0 H GLU A 70 -12.012 9.107 10.856 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.491 10.832 13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.802 11.121 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.109 12.061 11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.851 9.050 11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.681 10.176 10.559 1.00 0.00 H new ATOM 1020 N THR A 71 -12.391 13.180 11.995 1.00 0.00 N ATOM 1021 CA THR A 71 -13.231 14.302 11.626 1.00 0.00 C ATOM 1022 C THR A 71 -12.874 14.745 10.218 1.00 0.00 C ATOM 1023 O THR A 71 -11.783 14.428 9.739 1.00 0.00 O ATOM 1024 CB THR A 71 -13.074 15.496 12.590 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.747 16.023 12.515 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.359 15.078 14.020 1.00 0.00 C ATOM 0 H THR A 71 -11.507 13.431 12.438 1.00 0.00 H new ATOM 0 HA THR A 71 -14.268 13.972 11.680 1.00 0.00 H new ATOM 0 HB THR A 71 -13.791 16.261 12.292 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.661 16.781 13.130 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.242 15.937 14.680 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.379 14.701 14.092 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.661 14.295 14.316 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.757 15.473 9.559 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.485 15.937 8.203 1.00 0.00 C ATOM 1036 C HIS A 72 -12.178 16.730 8.164 1.00 0.00 C ATOM 1037 O HIS A 72 -11.352 16.543 7.266 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.647 16.791 7.685 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.377 17.433 6.358 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.334 16.730 5.174 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -14.119 18.723 6.036 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.062 17.559 4.183 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.926 18.771 4.680 1.00 0.00 N ATOM 0 H HIS A 72 -14.663 15.756 9.933 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.382 15.068 7.554 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.537 16.167 7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.870 17.568 8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.074 19.558 6.720 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.967 17.289 3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.711 19.611 4.142 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.994 17.585 9.160 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.789 18.396 9.275 1.00 0.00 C ATOM 1054 C GLN A 73 -9.552 17.513 9.432 1.00 0.00 C ATOM 1055 O GLN A 73 -8.521 17.751 8.794 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.918 19.342 10.469 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.729 20.268 10.655 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.855 21.115 11.905 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.448 20.691 12.898 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -9.306 22.317 11.867 1.00 0.00 N ATOM 0 H GLN A 73 -12.671 17.736 9.908 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.674 18.981 8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.819 19.944 10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.050 18.751 11.375 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.815 19.677 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.637 20.918 9.785 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.823 22.631 11.025 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.365 22.931 12.680 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.660 16.486 10.273 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.548 15.570 10.504 1.00 0.00 C ATOM 1071 C GLN A 74 -8.192 14.817 9.230 1.00 0.00 C ATOM 1072 O GLN A 74 -7.021 14.709 8.876 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.866 14.578 11.624 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.898 15.205 13.010 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.554 15.753 13.461 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.728 16.181 12.654 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.331 15.752 14.762 1.00 0.00 N ATOM 0 H GLN A 74 -10.504 16.269 10.803 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.691 16.170 10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.832 14.115 11.423 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.122 13.781 11.613 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.631 16.012 13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.237 14.459 13.729 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.039 15.389 15.400 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.451 16.114 15.129 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.210 14.320 8.538 1.00 0.00 N ATOM 1087 CA VAL A 75 -9.011 13.545 7.319 1.00 0.00 C ATOM 1088 C VAL A 75 -8.253 14.351 6.262 1.00 0.00 C ATOM 1089 O VAL A 75 -7.296 13.858 5.662 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.357 13.064 6.737 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -10.148 12.297 5.443 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -11.096 12.198 7.744 1.00 0.00 C ATOM 0 H VAL A 75 -10.188 14.441 8.802 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.413 12.675 7.589 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.961 13.945 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.112 11.970 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.662 12.943 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.519 11.427 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -12.042 11.869 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.488 11.328 7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.289 12.775 8.648 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.666 15.597 6.051 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.000 16.459 5.080 1.00 0.00 C ATOM 1104 C VAL A 76 -6.555 16.721 5.503 1.00 0.00 C ATOM 1105 O VAL A 76 -5.639 16.707 4.679 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.741 17.803 4.911 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.030 18.700 3.905 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.182 17.568 4.483 1.00 0.00 C ATOM 0 H VAL A 76 -9.453 16.030 6.535 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.011 15.940 4.122 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.740 18.309 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.574 19.639 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.016 18.903 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.990 18.201 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.689 18.526 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.197 17.034 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.694 16.975 5.240 1.00 0.00 H new ATOM 1118 N SER A 77 -6.359 16.934 6.798 1.00 0.00 N ATOM 1119 CA SER A 77 -5.033 17.177 7.347 1.00 0.00 C ATOM 1120 C SER A 77 -4.118 15.967 7.148 1.00 0.00 C ATOM 1121 O SER A 77 -2.913 16.124 6.954 1.00 0.00 O ATOM 1122 CB SER A 77 -5.139 17.531 8.828 1.00 0.00 C ATOM 1123 OG SER A 77 -5.955 18.680 9.010 1.00 0.00 O ATOM 0 H SER A 77 -7.107 16.943 7.491 1.00 0.00 H new ATOM 0 HA SER A 77 -4.591 18.017 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.558 16.689 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.145 17.716 9.235 1.00 0.00 H new ATOM 0 HG SER A 77 -6.893 18.406 9.087 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.695 14.768 7.203 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.945 13.536 6.964 1.00 0.00 C ATOM 1131 C ARG A 78 -3.339 13.539 5.569 1.00 0.00 C ATOM 1132 O ARG A 78 -2.151 13.277 5.394 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.866 12.322 7.095 1.00 0.00 C ATOM 1134 CG ARG A 78 -5.478 12.155 8.471 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.471 11.642 9.481 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.060 11.516 10.812 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.353 11.407 11.931 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.028 11.449 11.884 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -4.979 11.251 13.092 1.00 0.00 N ATOM 0 H ARG A 78 -5.683 14.623 7.412 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.149 13.479 7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.667 12.406 6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.301 11.423 6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.876 13.112 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.318 11.463 8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.092 10.673 9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.619 12.320 9.522 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.077 11.511 10.886 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.553 11.565 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.484 11.365 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.998 11.215 13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.441 11.167 13.954 1.00 0.00 H new ATOM 1153 N ILE A 79 -4.164 13.866 4.586 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.758 13.809 3.190 1.00 0.00 C ATOM 1155 C ILE A 79 -2.721 14.890 2.876 1.00 0.00 C ATOM 1156 O ILE A 79 -1.773 14.656 2.125 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.978 13.964 2.252 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -6.115 13.039 2.699 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.587 13.655 0.815 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.388 13.201 1.893 1.00 0.00 C ATOM 0 H ILE A 79 -5.125 14.176 4.731 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.307 12.832 3.019 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.324 14.996 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.779 12.005 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.334 13.230 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.457 13.769 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.805 14.343 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.219 12.631 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.146 12.514 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.749 14.225 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.185 12.981 0.845 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.893 16.068 3.469 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.974 17.181 3.243 1.00 0.00 C ATOM 1174 C ARG A 80 -0.617 16.940 3.907 1.00 0.00 C ATOM 1175 O ARG A 80 0.396 17.502 3.491 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.555 18.497 3.761 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.784 18.971 3.006 1.00 0.00 C ATOM 1178 CD ARG A 80 -3.973 20.470 3.161 1.00 0.00 C ATOM 1179 NE ARG A 80 -2.861 21.214 2.567 1.00 0.00 N ATOM 1180 CZ ARG A 80 -2.288 22.282 3.121 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -2.726 22.752 4.284 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -1.275 22.878 2.503 1.00 0.00 N ATOM 0 H ARG A 80 -3.659 16.277 4.109 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.832 17.249 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.811 18.379 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.787 19.268 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.685 18.721 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.666 18.449 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.908 20.771 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.056 20.720 4.219 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.500 20.893 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.505 22.295 4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.283 23.570 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.940 22.518 1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.832 23.696 2.922 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.610 16.112 4.944 1.00 0.00 N ATOM 1197 CA ALA A 81 0.577 15.908 5.772 1.00 0.00 C ATOM 1198 C ALA A 81 1.685 15.141 5.049 1.00 0.00 C ATOM 1199 O ALA A 81 2.847 15.190 5.462 1.00 0.00 O ATOM 1200 CB ALA A 81 0.188 15.179 7.048 1.00 0.00 C ATOM 0 H ALA A 81 -1.420 15.565 5.235 1.00 0.00 H new ATOM 0 HA ALA A 81 0.979 16.894 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.074 15.027 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.540 15.774 7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.249 14.213 6.796 1.00 0.00 H new ATOM 1206 N ALA A 82 1.332 14.441 3.981 1.00 0.00 N ATOM 1207 CA ALA A 82 2.284 13.591 3.278 1.00 0.00 C ATOM 1208 C ALA A 82 3.281 14.404 2.457 1.00 0.00 C ATOM 1209 O ALA A 82 2.950 15.465 1.914 1.00 0.00 O ATOM 1210 CB ALA A 82 1.549 12.608 2.390 1.00 0.00 C ATOM 0 H ALA A 82 0.393 14.444 3.582 1.00 0.00 H new ATOM 0 HA ALA A 82 2.853 13.044 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.270 11.978 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.896 11.984 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.951 13.154 1.660 1.00 0.00 H new ATOM 1216 N LEU A 83 4.498 13.886 2.363 1.00 0.00 N ATOM 1217 CA LEU A 83 5.568 14.543 1.628 1.00 0.00 C ATOM 1218 C LEU A 83 5.679 13.968 0.223 1.00 0.00 C ATOM 1219 O LEU A 83 6.113 12.827 0.042 1.00 0.00 O ATOM 1220 CB LEU A 83 6.899 14.390 2.370 1.00 0.00 C ATOM 1221 CG LEU A 83 6.967 15.090 3.729 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.297 14.802 4.411 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.770 16.589 3.563 1.00 0.00 C ATOM 0 H LEU A 83 4.770 13.002 2.793 1.00 0.00 H new ATOM 0 HA LEU A 83 5.332 15.604 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.097 13.328 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.697 14.779 1.738 1.00 0.00 H new ATOM 0 HG LEU A 83 6.166 14.702 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.328 15.308 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.404 13.728 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.113 15.164 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.821 17.073 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.552 16.990 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.796 16.780 3.114 1.00 0.00 H new ATOM 1235 N ASN A 84 5.264 14.766 -0.760 1.00 0.00 N ATOM 1236 CA ASN A 84 5.279 14.385 -2.179 1.00 0.00 C ATOM 1237 C ASN A 84 4.209 13.346 -2.498 1.00 0.00 C ATOM 1238 O ASN A 84 3.320 13.601 -3.301 1.00 0.00 O ATOM 1239 CB ASN A 84 6.659 13.880 -2.629 1.00 0.00 C ATOM 1240 CG ASN A 84 6.654 13.365 -4.060 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.465 12.173 -4.304 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.858 14.259 -5.015 1.00 0.00 N ATOM 0 H ASN A 84 4.903 15.706 -0.596 1.00 0.00 H new ATOM 0 HA ASN A 84 5.054 15.292 -2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.385 14.689 -2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.986 13.083 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.862 13.969 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.011 15.238 -4.773 1.00 0.00 H new ATOM 1249 N ALA A 85 4.283 12.191 -1.862 1.00 0.00 N ATOM 1250 CA ALA A 85 3.363 11.106 -2.160 1.00 0.00 C ATOM 1251 C ALA A 85 2.575 10.698 -0.926 1.00 0.00 C ATOM 1252 O ALA A 85 3.127 10.568 0.166 1.00 0.00 O ATOM 1253 CB ALA A 85 4.115 9.915 -2.732 1.00 0.00 C ATOM 0 H ALA A 85 4.969 11.979 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 85 2.653 11.462 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.412 9.111 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.622 10.212 -3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.851 9.567 -2.007 1.00 0.00 H new ATOM 1259 N VAL A 86 1.278 10.516 -1.110 1.00 0.00 N ATOM 1260 CA VAL A 86 0.404 10.056 -0.044 1.00 0.00 C ATOM 1261 C VAL A 86 -0.340 8.810 -0.501 1.00 0.00 C ATOM 1262 O VAL A 86 -0.792 8.742 -1.642 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.612 11.150 0.371 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.534 11.520 -0.782 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.420 10.714 1.586 1.00 0.00 C ATOM 0 H VAL A 86 0.803 10.682 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 86 1.020 9.825 0.825 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.042 12.039 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.234 12.290 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.941 11.898 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.088 10.638 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.125 11.500 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.967 9.801 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.747 10.528 2.423 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.452 7.820 0.366 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.139 6.596 0.004 1.00 0.00 C ATOM 1277 C ARG A 87 -2.556 6.605 0.550 1.00 0.00 C ATOM 1278 O ARG A 87 -2.770 6.477 1.758 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.375 5.380 0.530 1.00 0.00 C ATOM 1280 CG ARG A 87 1.031 5.262 -0.031 1.00 0.00 C ATOM 1281 CD ARG A 87 1.734 4.017 0.478 1.00 0.00 C ATOM 1282 NE ARG A 87 1.909 4.027 1.931 1.00 0.00 N ATOM 1283 CZ ARG A 87 1.794 2.946 2.700 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.558 1.757 2.156 1.00 0.00 N ATOM 1285 NH2 ARG A 87 1.954 3.041 4.012 1.00 0.00 N ATOM 0 H ARG A 87 -0.080 7.839 1.316 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.185 6.533 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.321 5.437 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.933 4.476 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.988 5.236 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.608 6.145 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.160 3.136 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.709 3.932 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 87 2.132 4.915 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.464 1.669 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.471 0.933 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.166 3.944 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.865 2.211 4.598 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.519 6.746 -0.344 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.919 6.783 0.037 1.00 0.00 C ATOM 1301 C LEU A 88 -5.591 5.469 -0.328 1.00 0.00 C ATOM 1302 O LEU A 88 -5.580 5.066 -1.493 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.652 7.930 -0.670 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.058 9.328 -0.483 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.981 10.373 -1.089 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -4.816 9.621 0.992 1.00 0.00 C ATOM 0 H LEU A 88 -3.354 6.837 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.969 6.942 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.683 7.711 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.683 7.946 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.098 9.367 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.549 11.364 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.104 10.176 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.953 10.329 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.394 10.620 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.760 9.566 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.121 8.887 1.399 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.157 4.792 0.657 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.929 3.595 0.382 1.00 0.00 C ATOM 1320 C LEU A 89 -8.385 3.968 0.188 1.00 0.00 C ATOM 1321 O LEU A 89 -9.007 4.570 1.069 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.806 2.569 1.504 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.527 1.250 1.224 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.834 0.493 0.105 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.610 0.402 2.477 1.00 0.00 C ATOM 0 H LEU A 89 -6.097 5.048 1.643 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.533 3.141 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.750 2.364 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.204 3.001 2.422 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.544 1.478 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.360 -0.443 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.839 1.098 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.805 0.280 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.127 -0.531 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.604 0.182 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.159 0.944 3.247 1.00 0.00 H new ATOM 1337 N VAL A 90 -8.926 3.605 -0.957 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.274 4.011 -1.321 1.00 0.00 C ATOM 1339 C VAL A 90 -11.081 2.833 -1.853 1.00 0.00 C ATOM 1340 O VAL A 90 -10.521 1.879 -2.398 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.259 5.153 -2.364 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.819 6.458 -1.721 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.354 4.811 -3.543 1.00 0.00 C ATOM 0 H VAL A 90 -8.455 3.029 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.752 4.380 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.274 5.274 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.815 7.250 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.510 6.720 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.816 6.341 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.364 5.632 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.336 4.653 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.714 3.903 -4.027 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.392 2.902 -1.672 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.291 1.853 -2.126 1.00 0.00 C ATOM 1355 C VAL A 91 -14.650 2.443 -2.502 1.00 0.00 C ATOM 1356 O VAL A 91 -15.078 3.448 -1.926 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.462 0.757 -1.039 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.105 1.320 0.218 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.259 -0.428 -1.568 1.00 0.00 C ATOM 0 H VAL A 91 -12.859 3.682 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.852 1.390 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.465 0.402 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.211 0.528 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.478 2.114 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.088 1.722 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.361 -1.177 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.248 -0.092 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.739 -0.864 -2.421 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.303 1.837 -3.490 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.655 2.222 -3.877 1.00 0.00 C ATOM 1371 C ASP A 92 -17.601 2.017 -2.704 1.00 0.00 C ATOM 1372 O ASP A 92 -17.671 0.923 -2.146 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.148 1.365 -5.049 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.267 1.444 -6.275 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.244 0.729 -6.326 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.615 2.184 -7.218 1.00 0.00 O ATOM 0 H ASP A 92 -14.913 1.072 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.637 3.270 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.212 0.326 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.157 1.678 -5.317 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.346 3.065 -2.319 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.305 2.996 -1.209 1.00 0.00 C ATOM 1383 C PRO A 93 -20.355 1.911 -1.419 1.00 0.00 C ATOM 1384 O PRO A 93 -20.914 1.383 -0.456 1.00 0.00 O ATOM 1385 CB PRO A 93 -19.958 4.380 -1.206 1.00 0.00 C ATOM 1386 CG PRO A 93 -18.981 5.263 -1.899 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.312 4.402 -2.930 1.00 0.00 C ATOM 0 HA PRO A 93 -18.817 2.743 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -20.916 4.366 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.151 4.724 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.482 6.112 -2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.253 5.669 -1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.844 4.424 -3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.291 4.729 -3.128 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.624 1.590 -2.681 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.545 0.511 -3.010 1.00 0.00 C ATOM 1397 C GLU A 94 -20.905 -0.835 -2.695 1.00 0.00 C ATOM 1398 O GLU A 94 -21.505 -1.682 -2.033 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.946 0.534 -4.494 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.437 1.880 -5.006 1.00 0.00 C ATOM 1401 CD GLU A 94 -21.302 2.832 -5.328 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -20.615 2.615 -6.348 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -21.083 3.786 -4.554 1.00 0.00 O ATOM 0 H GLU A 94 -20.218 2.061 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.441 0.656 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.088 0.226 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.729 -0.207 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.041 1.726 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.086 2.334 -4.257 1.00 0.00 H new ATOM 1410 N THR A 95 -19.672 -1.012 -3.146 1.00 0.00 N ATOM 1411 CA THR A 95 -18.971 -2.271 -2.967 1.00 0.00 C ATOM 1412 C THR A 95 -18.577 -2.471 -1.509 1.00 0.00 C ATOM 1413 O THR A 95 -18.458 -3.600 -1.041 1.00 0.00 O ATOM 1414 CB THR A 95 -17.717 -2.338 -3.849 1.00 0.00 C ATOM 1415 OG1 THR A 95 -18.004 -1.769 -5.133 1.00 0.00 O ATOM 1416 CG2 THR A 95 -17.267 -3.780 -4.025 1.00 0.00 C ATOM 0 H THR A 95 -19.137 -0.297 -3.639 1.00 0.00 H new ATOM 0 HA THR A 95 -19.653 -3.067 -3.265 1.00 0.00 H new ATOM 0 HB THR A 95 -16.918 -1.776 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.203 -1.810 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.377 -3.809 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.038 -4.211 -3.050 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.064 -4.355 -4.498 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.384 -1.367 -0.797 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.019 -1.416 0.615 1.00 0.00 C ATOM 1426 C ASP A 96 -19.084 -2.161 1.417 1.00 0.00 C ATOM 1427 O ASP A 96 -18.767 -2.897 2.346 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.831 0.002 1.162 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.353 0.021 2.603 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.210 -0.411 2.863 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.111 0.490 3.477 1.00 0.00 O ATOM 0 H ASP A 96 -18.474 -0.424 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.077 -1.955 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.112 0.534 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.775 0.542 1.091 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.342 -2.008 1.011 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.448 -2.716 1.654 1.00 0.00 C ATOM 1438 C GLU A 97 -21.279 -4.222 1.480 1.00 0.00 C ATOM 1439 O GLU A 97 -21.538 -5.004 2.396 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.793 -2.273 1.072 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.147 -0.823 1.361 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.538 -0.462 0.880 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -24.694 -0.141 -0.314 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.485 -0.505 1.694 1.00 0.00 O ATOM 0 H GLU A 97 -20.622 -1.401 0.241 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.435 -2.473 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.777 -2.424 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.579 -2.914 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.078 -0.642 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.418 -0.171 0.880 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.833 -4.611 0.292 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.539 -6.005 -0.009 1.00 0.00 C ATOM 1453 C GLN A 98 -19.343 -6.473 0.814 1.00 0.00 C ATOM 1454 O GLN A 98 -19.318 -7.598 1.312 1.00 0.00 O ATOM 1455 CB GLN A 98 -20.258 -6.169 -1.511 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.858 -7.579 -1.928 1.00 0.00 C ATOM 1457 CD GLN A 98 -20.934 -8.610 -1.655 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -21.792 -8.867 -2.499 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -20.890 -9.211 -0.479 1.00 0.00 N ATOM 0 H GLN A 98 -20.666 -3.972 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.402 -6.618 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -21.148 -5.878 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.463 -5.480 -1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -19.622 -7.583 -2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.949 -7.863 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -20.161 -8.967 0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -21.585 -9.919 -0.242 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.361 -5.594 0.963 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.154 -5.908 1.716 1.00 0.00 C ATOM 1470 C LEU A 99 -17.469 -6.104 3.196 1.00 0.00 C ATOM 1471 O LEU A 99 -16.878 -6.961 3.856 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.102 -4.817 1.537 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.663 -4.569 0.092 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.261 -3.999 0.072 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.732 -5.844 -0.738 1.00 0.00 C ATOM 0 H LEU A 99 -18.377 -4.653 0.570 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.751 -6.842 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.494 -3.886 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.224 -5.080 2.127 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.350 -3.849 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.954 -3.825 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.243 -3.057 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.575 -4.704 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.414 -5.631 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.076 -6.598 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.756 -6.217 -0.748 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.410 -5.310 3.707 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.885 -5.462 5.081 1.00 0.00 C ATOM 1489 C GLN A 100 -19.491 -6.848 5.281 1.00 0.00 C ATOM 1490 O GLN A 100 -19.362 -7.448 6.348 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.925 -4.390 5.424 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.419 -2.965 5.275 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.468 -1.937 5.647 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.276 -1.525 4.816 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -20.466 -1.511 6.899 1.00 0.00 N ATOM 0 H GLN A 100 -18.858 -4.554 3.189 1.00 0.00 H new ATOM 0 HA GLN A 100 -18.030 -5.343 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.795 -4.524 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -20.261 -4.540 6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.540 -2.827 5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.103 -2.801 4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.781 -1.875 7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.150 -0.818 7.203 1.00 0.00 H new ATOM 1504 N LYS A 101 -20.148 -7.353 4.241 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.742 -8.685 4.283 1.00 0.00 C ATOM 1506 C LYS A 101 -19.654 -9.745 4.353 1.00 0.00 C ATOM 1507 O LYS A 101 -19.843 -10.808 4.945 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.614 -8.936 3.051 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.737 -7.930 2.865 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.705 -7.936 4.037 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.865 -6.979 3.804 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.398 -5.588 3.553 1.00 0.00 N ATOM 0 H LYS A 101 -20.282 -6.860 3.358 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.367 -8.744 5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.981 -8.925 2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -22.045 -9.935 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.314 -6.932 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.278 -8.156 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -24.089 -8.945 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -23.177 -7.655 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -25.454 -7.323 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.524 -6.989 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.207 -4.936 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -23.696 -5.322 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -23.965 -5.532 2.609 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.515 -9.446 3.739 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.388 -10.366 3.727 1.00 0.00 C ATOM 1528 C LEU A 102 -16.703 -10.370 5.089 1.00 0.00 C ATOM 1529 O LEU A 102 -16.537 -11.417 5.711 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.385 -9.978 2.633 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.988 -9.771 1.237 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -15.910 -9.379 0.236 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -17.717 -11.025 0.776 1.00 0.00 C ATOM 0 H LEU A 102 -18.349 -8.571 3.242 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.761 -11.368 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.881 -9.059 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.622 -10.754 2.570 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.710 -8.957 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.360 -9.237 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -15.437 -8.450 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.160 -10.168 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -18.137 -10.858 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -17.017 -11.859 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.520 -11.257 1.476 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.315 -9.183 5.547 1.00 0.00 N ATOM 1546 CA GLY A 103 -15.753 -9.035 6.878 1.00 0.00 C ATOM 1547 C GLY A 103 -14.277 -9.374 6.953 1.00 0.00 C ATOM 1548 O GLY A 103 -13.619 -9.068 7.947 1.00 0.00 O ATOM 0 H GLY A 103 -16.381 -8.315 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.899 -8.008 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.301 -9.677 7.568 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.757 -9.997 5.903 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.366 -10.430 5.876 1.00 0.00 C ATOM 1554 C VAL A 104 -11.429 -9.241 5.701 1.00 0.00 C ATOM 1555 O VAL A 104 -11.867 -8.107 5.487 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.111 -11.454 4.746 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -13.156 -12.558 4.774 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.074 -10.775 3.384 1.00 0.00 C ATOM 0 H VAL A 104 -14.281 -10.214 5.055 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.164 -10.910 6.833 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.134 -11.905 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.958 -13.267 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.114 -13.075 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.147 -12.125 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.893 -11.521 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.028 -10.282 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.274 -10.035 3.368 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.135 -9.518 5.756 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.114 -8.480 5.738 1.00 0.00 C ATOM 1570 C GLN A 105 -8.802 -8.004 4.320 1.00 0.00 C ATOM 1571 O GLN A 105 -7.683 -7.581 4.039 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.843 -9.009 6.388 1.00 0.00 C ATOM 1573 CG GLN A 105 -7.984 -9.292 7.874 1.00 0.00 C ATOM 1574 CD GLN A 105 -6.706 -9.832 8.494 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -5.566 -9.433 7.953 1.00 0.00 O flip ATOM 1576 NE2 GLN A 105 -6.747 -10.604 9.454 1.00 0.00 N flip ATOM 0 H GLN A 105 -9.763 -10.466 5.814 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.499 -7.626 6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.541 -9.925 5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.042 -8.284 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -8.273 -8.375 8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.789 -10.011 8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.647 -10.888 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.881 -10.959 9.860 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.802 -8.032 3.444 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.624 -7.622 2.047 1.00 0.00 C ATOM 1587 C VAL A 106 -9.197 -6.153 1.961 1.00 0.00 C ATOM 1588 O VAL A 106 -8.736 -5.683 0.925 1.00 0.00 O ATOM 1589 CB VAL A 106 -10.926 -7.842 1.229 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -12.054 -6.961 1.751 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -10.694 -7.599 -0.261 1.00 0.00 C ATOM 0 H VAL A 106 -10.748 -8.335 3.674 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.837 -8.243 1.620 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.222 -8.883 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.954 -7.134 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.252 -7.204 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.764 -5.913 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.624 -7.761 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.358 -6.574 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.934 -8.289 -0.628 1.00 0.00 H new ATOM 1601 N ARG A 107 -9.317 -5.453 3.082 1.00 0.00 N ATOM 1602 CA ARG A 107 -9.011 -4.035 3.157 1.00 0.00 C ATOM 1603 C ARG A 107 -7.534 -3.769 2.857 1.00 0.00 C ATOM 1604 O ARG A 107 -7.210 -2.875 2.080 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.365 -3.521 4.552 1.00 0.00 C ATOM 1606 CG ARG A 107 -9.300 -2.012 4.699 1.00 0.00 C ATOM 1607 CD ARG A 107 -9.643 -1.582 6.116 1.00 0.00 C ATOM 1608 NE ARG A 107 -10.958 -2.064 6.543 1.00 0.00 N ATOM 1609 CZ ARG A 107 -11.878 -1.297 7.126 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -11.605 -0.026 7.391 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -13.057 -1.806 7.457 1.00 0.00 N ATOM 0 H ARG A 107 -9.630 -5.856 3.965 1.00 0.00 H new ATOM 0 HA ARG A 107 -9.601 -3.509 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -10.371 -3.856 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.687 -3.974 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.300 -1.662 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.991 -1.546 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.882 -1.956 6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.620 -0.494 6.178 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.183 -3.046 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.693 0.361 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -12.307 0.564 7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.261 -2.787 7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.760 -1.217 7.903 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.638 -4.554 3.455 1.00 0.00 N ATOM 1626 CA GLU A 108 -5.208 -4.359 3.223 1.00 0.00 C ATOM 1627 C GLU A 108 -4.432 -5.675 3.121 1.00 0.00 C ATOM 1628 O GLU A 108 -3.263 -5.674 2.732 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.593 -3.442 4.289 1.00 0.00 C ATOM 1630 CG GLU A 108 -5.223 -3.559 5.667 1.00 0.00 C ATOM 1631 CD GLU A 108 -5.027 -4.916 6.305 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -3.889 -5.220 6.722 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -6.013 -5.674 6.408 1.00 0.00 O ATOM 0 H GLU A 108 -6.871 -5.316 4.091 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.121 -3.871 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.529 -3.665 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.677 -2.409 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.798 -2.795 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.291 -3.354 5.589 1.00 0.00 H new ATOM 1640 N GLU A 109 -5.068 -6.796 3.446 1.00 0.00 N ATOM 1641 CA GLU A 109 -4.437 -8.099 3.246 1.00 0.00 C ATOM 1642 C GLU A 109 -4.269 -8.355 1.751 1.00 0.00 C ATOM 1643 O GLU A 109 -3.329 -9.022 1.319 1.00 0.00 O ATOM 1644 CB GLU A 109 -5.266 -9.212 3.898 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.680 -10.603 3.738 1.00 0.00 C ATOM 1646 CD GLU A 109 -5.509 -11.660 4.442 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -6.446 -12.204 3.824 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -5.226 -11.950 5.620 1.00 0.00 O ATOM 0 H GLU A 109 -6.007 -6.831 3.844 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.456 -8.097 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.372 -8.995 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.268 -9.201 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.610 -10.846 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.665 -10.616 4.136 1.00 0.00 H new ATOM 1655 N LEU A 110 -5.184 -7.783 0.971 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.119 -7.847 -0.483 1.00 0.00 C ATOM 1657 C LEU A 110 -3.941 -7.004 -0.974 1.00 0.00 C ATOM 1658 O LEU A 110 -3.236 -7.381 -1.908 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.449 -7.344 -1.081 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.695 -7.642 -2.570 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -5.906 -6.700 -3.468 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.352 -9.091 -2.885 1.00 0.00 C ATOM 0 H LEU A 110 -5.987 -7.265 1.329 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.966 -8.877 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.266 -7.781 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.500 -6.265 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.754 -7.479 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.105 -6.941 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.206 -5.671 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.841 -6.812 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.531 -9.286 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.302 -9.275 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.976 -9.752 -2.283 1.00 0.00 H new ATOM 1850 N THR B 3 -13.965 21.077 0.618 1.00 0.00 N ATOM 1851 CA THR B 3 -12.539 21.169 0.859 1.00 0.00 C ATOM 1852 C THR B 3 -11.797 20.519 -0.302 1.00 0.00 C ATOM 1853 O THR B 3 -12.232 19.487 -0.819 1.00 0.00 O ATOM 1854 CB THR B 3 -12.143 20.464 2.173 1.00 0.00 C ATOM 1855 OG1 THR B 3 -13.044 20.838 3.224 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.721 20.823 2.578 1.00 0.00 C ATOM 0 HA THR B 3 -12.272 22.222 0.944 1.00 0.00 H new ATOM 0 HB THR B 3 -12.199 19.388 2.007 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.922 21.047 2.843 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.468 20.313 3.507 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.030 20.513 1.794 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.645 21.901 2.724 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.706 21.125 -0.733 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.915 20.553 -1.807 1.00 0.00 C ATOM 1866 C ARG B 4 -8.584 20.039 -1.281 1.00 0.00 C ATOM 1867 O ARG B 4 -7.986 20.634 -0.384 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.669 21.574 -2.926 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.716 21.051 -3.991 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.316 22.114 -4.997 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.083 21.734 -5.684 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.887 21.807 -6.997 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -7.844 22.246 -7.797 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.721 21.433 -7.506 1.00 0.00 N ATOM 0 H ARG B 4 -10.350 22.005 -0.360 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.482 19.719 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.620 21.836 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.262 22.489 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.821 20.658 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.186 20.219 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -9.116 22.253 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.177 23.069 -4.490 1.00 0.00 H new ATOM 0 HE ARG B 4 -6.314 21.386 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -8.742 22.532 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -7.684 22.298 -8.803 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -4.982 21.092 -6.891 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -5.563 21.486 -8.512 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.153 18.920 -1.829 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.826 18.397 -1.582 1.00 0.00 C ATOM 1890 C LEU B 5 -5.990 18.583 -2.832 1.00 0.00 C ATOM 1891 O LEU B 5 -5.286 19.603 -2.945 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.878 16.909 -1.220 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.191 16.579 0.245 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.200 17.267 1.169 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.617 16.967 0.609 1.00 0.00 C ATOM 1896 OXT LEU B 5 -6.074 17.721 -3.722 1.00 0.00 O ATOM 0 H LEU B 5 -8.715 18.348 -2.459 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.385 18.935 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.630 16.430 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.918 16.461 -1.475 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.097 15.500 0.371 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.437 17.022 2.204 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.190 16.927 0.938 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.261 18.346 1.029 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -8.806 16.720 1.654 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.752 18.038 0.459 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.316 16.421 -0.025 1.00 0.00 H new