USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1324 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 120 THR OG1 : rot -74:sc= 1.8 USER MOD Set 1.2: A 134 SER OG : rot 179:sc= 1.01 USER MOD Set 2.1: A 92 HIS : no HE2:sc=-0.00182 K(o=-0.47,f=-7.4!) USER MOD Set 2.2: A 94 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Set 2.3: A 121 GLN : amide:sc= -0.464 X(o=-0.47,f=-0.84) USER MOD Set 3.1: A 35 GLN : amide:sc= 1.19 K(o=1.5,f=0.12) USER MOD Set 3.2: A 42 TYR OH : rot 51:sc= 0.238 USER MOD Set 3.3: A 62 ASN : amide:sc= 0.106 K(o=1.5,f=0.72) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 145:sc= 0 (180deg=-0.479) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -160:sc= -0.101 (180deg=-0.381) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.026) USER MOD Single : A 33 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 36 GLN : amide:sc=-0.000102 X(o=-0.0001,f=0) USER MOD Single : A 39 TYR OH : rot 166:sc= -0.255 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -116:sc= 0.136 USER MOD Single : A 48 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-2.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00296) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -145:sc= 1.59 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -158:sc= 0.631 USER MOD Single : A 72 GLN : amide:sc= 0.0152 X(o=0.015,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.12 X(o=0.12,f=-0.02) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.979 K(o=0.98,f=-0.19) USER MOD Single : A 113 HIS : no HE2:sc= -0.0015 K(o=-0.0015,f=-4.1!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -139:sc= -0.491 (180deg=-0.824) USER MOD Single : A 136 SER OG : rot -114:sc= 0.551 USER MOD Single : A 138 CYS SG : rot -68:sc= 0.458 USER MOD Single : A 139 SER OG : rot -81:sc= 0.108 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.81) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 MET CE :methyl -119:sc= 0 (180deg=-0.397) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot -170:sc=-0.000717 USER MOD Single : A 163 MET CE :methyl -146:sc= -0.672 (180deg=-4.19!) USER MOD Single : A 166 MET CE :methyl -145:sc= -0.143 (180deg=-1.74!) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -3.254 18.966 11.058 1.00 1.32 N ATOM 129 CA TRP A 9 -3.565 18.265 9.809 1.00 1.25 C ATOM 130 C TRP A 9 -3.686 16.762 10.065 1.00 1.01 C ATOM 131 O TRP A 9 -4.658 16.134 9.642 1.00 0.93 O ATOM 132 CB TRP A 9 -2.477 18.566 8.766 1.00 1.34 C ATOM 133 CG TRP A 9 -2.666 17.897 7.437 1.00 1.38 C ATOM 134 CD1 TRP A 9 -3.454 18.355 6.438 1.00 2.37 C ATOM 135 CD2 TRP A 9 -2.084 16.648 6.941 1.00 1.93 C ATOM 136 NE1 TRP A 9 -3.400 17.489 5.364 1.00 2.07 N ATOM 137 CE2 TRP A 9 -2.587 16.407 5.626 1.00 1.58 C ATOM 138 CE3 TRP A 9 -1.187 15.692 7.467 1.00 3.63 C ATOM 139 CZ2 TRP A 9 -2.243 15.266 4.885 1.00 2.34 C ATOM 140 CZ3 TRP A 9 -0.819 14.553 6.723 1.00 4.77 C ATOM 141 CH2 TRP A 9 -1.355 14.330 5.443 1.00 4.05 C ATOM 0 HA TRP A 9 -4.521 18.616 9.421 1.00 1.25 H new ATOM 0 HB2 TRP A 9 -2.434 19.644 8.610 1.00 1.34 H new ATOM 0 HB3 TRP A 9 -1.512 18.264 9.173 1.00 1.34 H new ATOM 0 HD1 TRP A 9 -4.038 19.263 6.475 1.00 2.37 H new ATOM 0 HE1 TRP A 9 -3.899 17.632 4.486 1.00 2.07 H new ATOM 0 HE3 TRP A 9 -0.776 15.836 8.455 1.00 3.63 H new ATOM 0 HZ2 TRP A 9 -2.655 15.109 3.899 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 -0.119 13.845 7.140 1.00 4.77 H new ATOM 0 HH2 TRP A 9 -1.085 13.442 4.890 1.00 4.05 H new ATOM 152 N ARG A 10 -2.754 16.204 10.848 1.00 0.92 N ATOM 153 CA ARG A 10 -2.793 14.798 11.252 1.00 0.73 C ATOM 154 C ARG A 10 -4.034 14.509 12.107 1.00 0.72 C ATOM 155 O ARG A 10 -4.739 13.537 11.852 1.00 0.63 O ATOM 156 CB ARG A 10 -1.509 14.432 12.012 1.00 0.74 C ATOM 157 CG ARG A 10 -1.275 12.922 11.939 1.00 0.78 C ATOM 158 CD ARG A 10 -0.303 12.382 12.991 1.00 1.32 C ATOM 159 NE ARG A 10 -0.934 12.364 14.323 1.00 1.96 N ATOM 160 CZ ARG A 10 -0.757 13.232 15.312 1.00 2.78 C ATOM 161 NH1 ARG A 10 0.116 14.215 15.233 1.00 3.18 N ATOM 162 NH2 ARG A 10 -1.476 13.123 16.407 1.00 3.92 N ATOM 0 H ARG A 10 -1.953 16.716 11.218 1.00 0.92 H new ATOM 0 HA ARG A 10 -2.855 14.181 10.356 1.00 0.73 H new ATOM 0 HB2 ARG A 10 -0.658 14.962 11.583 1.00 0.74 H new ATOM 0 HB3 ARG A 10 -1.589 14.747 13.052 1.00 0.74 H new ATOM 0 HG2 ARG A 10 -2.232 12.412 12.050 1.00 0.78 H new ATOM 0 HG3 ARG A 10 -0.895 12.673 10.948 1.00 0.78 H new ATOM 0 HD2 ARG A 10 0.012 11.375 12.719 1.00 1.32 H new ATOM 0 HD3 ARG A 10 0.594 13.001 13.016 1.00 1.32 H new ATOM 0 HE ARG A 10 -1.581 11.597 14.506 1.00 1.96 H new ATOM 0 HH11 ARG A 10 0.682 14.328 14.392 1.00 3.18 H new ATOM 0 HH12 ARG A 10 0.226 14.864 16.013 1.00 3.18 H new ATOM 0 HH21 ARG A 10 -2.164 12.375 16.493 1.00 3.92 H new ATOM 0 HH22 ARG A 10 -1.345 13.786 17.171 1.00 3.92 H new ATOM 176 N ARG A 11 -4.355 15.395 13.059 1.00 0.87 N ATOM 177 CA ARG A 11 -5.531 15.310 13.940 1.00 0.97 C ATOM 178 C ARG A 11 -6.841 15.351 13.141 1.00 0.96 C ATOM 179 O ARG A 11 -7.730 14.532 13.388 1.00 0.93 O ATOM 180 CB ARG A 11 -5.458 16.446 14.980 1.00 1.18 C ATOM 181 CG ARG A 11 -6.642 16.438 15.956 1.00 1.48 C ATOM 182 CD ARG A 11 -6.551 17.570 16.985 1.00 2.20 C ATOM 183 NE ARG A 11 -7.788 17.633 17.789 1.00 2.46 N ATOM 184 CZ ARG A 11 -7.925 17.449 19.098 1.00 3.55 C ATOM 185 NH1 ARG A 11 -6.903 17.197 19.890 1.00 4.82 N ATOM 186 NH2 ARG A 11 -9.123 17.517 19.637 1.00 3.78 N ATOM 0 H ARG A 11 -3.784 16.220 13.245 1.00 0.87 H new ATOM 0 HA ARG A 11 -5.523 14.351 14.459 1.00 0.97 H new ATOM 0 HB2 ARG A 11 -4.529 16.357 15.543 1.00 1.18 H new ATOM 0 HB3 ARG A 11 -5.427 17.405 14.462 1.00 1.18 H new ATOM 0 HG2 ARG A 11 -7.573 16.532 15.396 1.00 1.48 H new ATOM 0 HG3 ARG A 11 -6.677 15.480 16.474 1.00 1.48 H new ATOM 0 HD2 ARG A 11 -5.693 17.409 17.638 1.00 2.20 H new ATOM 0 HD3 ARG A 11 -6.391 18.521 16.477 1.00 2.20 H new ATOM 0 HE ARG A 11 -8.644 17.844 17.276 1.00 2.46 H new ATOM 0 HH11 ARG A 11 -5.961 17.137 19.503 1.00 4.82 H new ATOM 0 HH12 ARG A 11 -7.054 17.062 20.890 1.00 4.82 H new ATOM 0 HH21 ARG A 11 -9.936 17.709 19.051 1.00 3.78 H new ATOM 0 HH22 ARG A 11 -9.239 17.377 20.641 1.00 3.78 H new ATOM 200 N THR A 12 -6.937 16.246 12.147 1.00 1.02 N ATOM 201 CA THR A 12 -8.087 16.345 11.229 1.00 1.08 C ATOM 202 C THR A 12 -8.249 15.050 10.461 1.00 0.96 C ATOM 203 O THR A 12 -9.347 14.506 10.424 1.00 1.01 O ATOM 204 CB THR A 12 -7.912 17.510 10.243 1.00 1.16 C ATOM 205 OG1 THR A 12 -7.886 18.715 10.974 1.00 1.25 O ATOM 206 CG2 THR A 12 -9.058 17.592 9.224 1.00 1.25 C ATOM 0 H THR A 12 -6.208 16.933 11.953 1.00 1.02 H new ATOM 0 HA THR A 12 -8.980 16.531 11.826 1.00 1.08 H new ATOM 0 HB THR A 12 -6.984 17.345 9.695 1.00 1.16 H new ATOM 0 HG1 THR A 12 -7.773 19.469 10.358 1.00 1.25 H new ATOM 0 HG21 THR A 12 -8.887 18.432 8.550 1.00 1.25 H new ATOM 0 HG22 THR A 12 -9.100 16.668 8.648 1.00 1.25 H new ATOM 0 HG23 THR A 12 -10.002 17.735 9.749 1.00 1.25 H new ATOM 214 N MET A 13 -7.158 14.504 9.922 1.00 0.84 N ATOM 215 CA MET A 13 -7.219 13.249 9.174 1.00 0.74 C ATOM 216 C MET A 13 -7.569 12.070 10.080 1.00 0.60 C ATOM 217 O MET A 13 -8.395 11.263 9.681 1.00 0.57 O ATOM 218 CB MET A 13 -5.936 13.036 8.350 1.00 0.72 C ATOM 219 CG MET A 13 -6.252 12.979 6.847 1.00 1.10 C ATOM 220 SD MET A 13 -7.216 14.355 6.144 1.00 1.86 S ATOM 221 CE MET A 13 -6.148 15.756 6.550 1.00 1.66 C ATOM 0 H MET A 13 -6.225 14.910 9.989 1.00 0.84 H new ATOM 0 HA MET A 13 -8.035 13.315 8.454 1.00 0.74 H new ATOM 0 HB2 MET A 13 -5.234 13.846 8.547 1.00 0.72 H new ATOM 0 HB3 MET A 13 -5.450 12.110 8.659 1.00 0.72 H new ATOM 0 HG2 MET A 13 -5.308 12.917 6.306 1.00 1.10 H new ATOM 0 HG3 MET A 13 -6.793 12.053 6.651 1.00 1.10 H new ATOM 0 HE1 MET A 13 -6.199 16.496 5.751 1.00 1.66 H new ATOM 0 HE2 MET A 13 -6.480 16.207 7.485 1.00 1.66 H new ATOM 0 HE3 MET A 13 -5.120 15.410 6.659 1.00 1.66 H new ATOM 231 N LEU A 14 -7.070 12.005 11.320 1.00 0.61 N ATOM 232 CA LEU A 14 -7.468 10.999 12.321 1.00 0.63 C ATOM 233 C LEU A 14 -8.982 11.027 12.576 1.00 0.66 C ATOM 234 O LEU A 14 -9.618 9.973 12.631 1.00 0.67 O ATOM 235 CB LEU A 14 -6.655 11.220 13.623 1.00 0.75 C ATOM 236 CG LEU A 14 -5.750 10.019 13.962 1.00 1.00 C ATOM 237 CD1 LEU A 14 -4.474 10.446 14.698 1.00 1.90 C ATOM 238 CD2 LEU A 14 -6.480 8.972 14.812 1.00 2.06 C ATOM 0 H LEU A 14 -6.367 12.659 11.665 1.00 0.61 H new ATOM 0 HA LEU A 14 -7.242 10.005 11.936 1.00 0.63 H new ATOM 0 HB2 LEU A 14 -6.042 12.115 13.518 1.00 0.75 H new ATOM 0 HB3 LEU A 14 -7.341 11.399 14.451 1.00 0.75 H new ATOM 0 HG LEU A 14 -5.478 9.578 13.003 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -3.868 9.567 14.916 1.00 1.90 H new ATOM 0 HD12 LEU A 14 -3.905 11.133 14.071 1.00 1.90 H new ATOM 0 HD13 LEU A 14 -4.741 10.943 15.631 1.00 1.90 H new ATOM 0 HD21 LEU A 14 -5.805 8.144 15.027 1.00 2.06 H new ATOM 0 HD22 LEU A 14 -6.807 9.426 15.747 1.00 2.06 H new ATOM 0 HD23 LEU A 14 -7.347 8.601 14.266 1.00 2.06 H new ATOM 250 N LEU A 15 -9.575 12.224 12.640 1.00 0.70 N ATOM 251 CA LEU A 15 -11.019 12.423 12.762 1.00 0.73 C ATOM 252 C LEU A 15 -11.751 11.964 11.482 1.00 0.65 C ATOM 253 O LEU A 15 -12.761 11.270 11.584 1.00 0.65 O ATOM 254 CB LEU A 15 -11.240 13.905 13.155 1.00 0.86 C ATOM 255 CG LEU A 15 -12.540 14.280 13.895 1.00 1.03 C ATOM 256 CD1 LEU A 15 -13.774 14.154 13.004 1.00 1.10 C ATOM 257 CD2 LEU A 15 -12.747 13.469 15.184 1.00 1.11 C ATOM 0 H LEU A 15 -9.051 13.099 12.608 1.00 0.70 H new ATOM 0 HA LEU A 15 -11.458 11.802 13.543 1.00 0.73 H new ATOM 0 HB2 LEU A 15 -10.401 14.212 13.780 1.00 0.86 H new ATOM 0 HB3 LEU A 15 -11.193 14.501 12.244 1.00 0.86 H new ATOM 0 HG LEU A 15 -12.418 15.327 14.171 1.00 1.03 H new ATOM 0 HD11 LEU A 15 -14.663 14.429 13.572 1.00 1.10 H new ATOM 0 HD12 LEU A 15 -13.672 14.818 12.145 1.00 1.10 H new ATOM 0 HD13 LEU A 15 -13.869 13.125 12.658 1.00 1.10 H new ATOM 0 HD21 LEU A 15 -13.677 13.776 15.662 1.00 1.11 H new ATOM 0 HD22 LEU A 15 -12.797 12.407 14.942 1.00 1.11 H new ATOM 0 HD23 LEU A 15 -11.914 13.648 15.864 1.00 1.11 H new ATOM 269 N ARG A 16 -11.209 12.233 10.283 1.00 0.62 N ATOM 270 CA ARG A 16 -11.739 11.707 9.007 1.00 0.61 C ATOM 271 C ARG A 16 -11.653 10.174 8.901 1.00 0.57 C ATOM 272 O ARG A 16 -12.608 9.530 8.473 1.00 0.60 O ATOM 273 CB ARG A 16 -11.049 12.346 7.793 1.00 0.64 C ATOM 274 CG ARG A 16 -11.336 13.852 7.685 1.00 0.82 C ATOM 275 CD ARG A 16 -11.109 14.360 6.262 1.00 1.01 C ATOM 276 NE ARG A 16 -12.196 13.905 5.370 1.00 1.71 N ATOM 277 CZ ARG A 16 -12.125 13.603 4.079 1.00 2.03 C ATOM 278 NH1 ARG A 16 -11.003 13.674 3.398 1.00 2.90 N ATOM 279 NH2 ARG A 16 -13.214 13.216 3.449 1.00 2.90 N ATOM 0 H ARG A 16 -10.386 12.824 10.167 1.00 0.62 H new ATOM 0 HA ARG A 16 -12.794 11.981 9.003 1.00 0.61 H new ATOM 0 HB2 ARG A 16 -9.973 12.188 7.864 1.00 0.64 H new ATOM 0 HB3 ARG A 16 -11.385 11.848 6.883 1.00 0.64 H new ATOM 0 HG2 ARG A 16 -12.365 14.051 7.984 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -10.692 14.397 8.375 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -11.062 15.449 6.262 1.00 1.01 H new ATOM 0 HD3 ARG A 16 -10.150 14.000 5.890 1.00 1.01 H new ATOM 0 HE ARG A 16 -13.116 13.811 5.800 1.00 1.71 H new ATOM 0 HH11 ARG A 16 -10.144 13.970 3.861 1.00 2.90 H new ATOM 0 HH12 ARG A 16 -10.992 13.433 2.407 1.00 2.90 H new ATOM 0 HH21 ARG A 16 -14.099 13.151 3.953 1.00 2.90 H new ATOM 0 HH22 ARG A 16 -13.173 12.981 2.457 1.00 2.90 H new ATOM 293 N PHE A 17 -10.546 9.571 9.336 1.00 0.55 N ATOM 294 CA PHE A 17 -10.333 8.123 9.372 1.00 0.57 C ATOM 295 C PHE A 17 -11.273 7.435 10.378 1.00 0.64 C ATOM 296 O PHE A 17 -11.778 6.351 10.092 1.00 0.69 O ATOM 297 CB PHE A 17 -8.840 7.842 9.628 1.00 0.56 C ATOM 298 CG PHE A 17 -7.935 8.145 8.439 1.00 0.60 C ATOM 299 CD1 PHE A 17 -8.144 7.485 7.212 1.00 1.68 C ATOM 300 CD2 PHE A 17 -6.859 9.049 8.555 1.00 2.34 C ATOM 301 CE1 PHE A 17 -7.305 7.748 6.115 1.00 1.61 C ATOM 302 CE2 PHE A 17 -6.010 9.307 7.463 1.00 2.51 C ATOM 303 CZ PHE A 17 -6.241 8.660 6.236 1.00 0.96 C ATOM 0 H PHE A 17 -9.744 10.096 9.685 1.00 0.55 H new ATOM 0 HA PHE A 17 -10.591 7.687 8.407 1.00 0.57 H new ATOM 0 HB2 PHE A 17 -8.511 8.435 10.481 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.721 6.794 9.903 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -8.952 6.775 7.114 1.00 1.68 H new ATOM 0 HD2 PHE A 17 -6.684 9.550 9.495 1.00 2.34 H new ATOM 0 HE1 PHE A 17 -7.478 7.247 5.174 1.00 1.61 H new ATOM 0 HE2 PHE A 17 -5.186 9.998 7.567 1.00 2.51 H new ATOM 0 HZ PHE A 17 -5.603 8.863 5.389 1.00 0.96 H new ATOM 313 N GLN A 18 -11.591 8.090 11.501 1.00 0.66 N ATOM 314 CA GLN A 18 -12.655 7.666 12.421 1.00 0.75 C ATOM 315 C GLN A 18 -14.072 7.872 11.834 1.00 0.75 C ATOM 316 O GLN A 18 -15.000 7.157 12.216 1.00 0.88 O ATOM 317 CB GLN A 18 -12.462 8.416 13.754 1.00 0.81 C ATOM 318 CG GLN A 18 -13.334 7.865 14.895 1.00 1.17 C ATOM 319 CD GLN A 18 -13.020 8.544 16.230 1.00 1.63 C ATOM 320 OE1 GLN A 18 -13.654 9.512 16.632 1.00 1.98 O ATOM 321 NE2 GLN A 18 -12.029 8.079 16.965 1.00 2.83 N ATOM 0 H GLN A 18 -11.112 8.939 11.800 1.00 0.66 H new ATOM 0 HA GLN A 18 -12.577 6.592 12.588 1.00 0.75 H new ATOM 0 HB2 GLN A 18 -11.414 8.358 14.047 1.00 0.81 H new ATOM 0 HB3 GLN A 18 -12.694 9.471 13.606 1.00 0.81 H new ATOM 0 HG2 GLN A 18 -14.386 8.012 14.651 1.00 1.17 H new ATOM 0 HG3 GLN A 18 -13.175 6.791 14.988 1.00 1.17 H new ATOM 0 HE21 GLN A 18 -11.491 7.274 16.645 1.00 2.83 H new ATOM 0 HE22 GLN A 18 -11.800 8.525 17.854 1.00 2.83 H new ATOM 330 N ARG A 19 -14.253 8.803 10.883 1.00 0.69 N ATOM 331 CA ARG A 19 -15.537 9.075 10.214 1.00 0.73 C ATOM 332 C ARG A 19 -15.957 7.997 9.206 1.00 0.80 C ATOM 333 O ARG A 19 -17.156 7.853 8.955 1.00 0.92 O ATOM 334 CB ARG A 19 -15.494 10.437 9.483 1.00 0.77 C ATOM 335 CG ARG A 19 -16.537 11.417 10.026 1.00 0.96 C ATOM 336 CD ARG A 19 -16.071 12.003 11.362 1.00 0.95 C ATOM 337 NE ARG A 19 -17.189 12.607 12.105 1.00 1.24 N ATOM 338 CZ ARG A 19 -18.028 11.968 12.914 1.00 1.83 C ATOM 339 NH1 ARG A 19 -17.923 10.676 13.158 1.00 2.66 N ATOM 340 NH2 ARG A 19 -19.003 12.631 13.494 1.00 2.31 N ATOM 0 H ARG A 19 -13.496 9.400 10.551 1.00 0.69 H new ATOM 0 HA ARG A 19 -16.278 9.083 11.014 1.00 0.73 H new ATOM 0 HB2 ARG A 19 -14.500 10.872 9.587 1.00 0.77 H new ATOM 0 HB3 ARG A 19 -15.664 10.281 8.418 1.00 0.77 H new ATOM 0 HG2 ARG A 19 -16.701 12.219 9.307 1.00 0.96 H new ATOM 0 HG3 ARG A 19 -17.491 10.907 10.158 1.00 0.96 H new ATOM 0 HD2 ARG A 19 -15.614 11.219 11.965 1.00 0.95 H new ATOM 0 HD3 ARG A 19 -15.303 12.756 11.182 1.00 0.95 H new ATOM 0 HE ARG A 19 -17.333 13.610 11.988 1.00 1.24 H new ATOM 0 HH11 ARG A 19 -17.179 10.133 12.720 1.00 2.66 H new ATOM 0 HH12 ARG A 19 -18.586 10.220 13.785 1.00 2.66 H new ATOM 0 HH21 ARG A 19 -19.113 13.630 13.322 1.00 2.31 H new ATOM 0 HH22 ARG A 19 -19.650 12.146 14.116 1.00 2.31 H new ATOM 354 N MET A 20 -15.002 7.272 8.612 1.00 0.76 N ATOM 355 CA MET A 20 -15.255 6.291 7.545 1.00 0.80 C ATOM 356 C MET A 20 -16.299 5.251 7.965 1.00 0.97 C ATOM 357 O MET A 20 -16.089 4.522 8.938 1.00 2.02 O ATOM 358 CB MET A 20 -13.960 5.578 7.127 1.00 0.73 C ATOM 359 CG MET A 20 -12.841 6.538 6.721 1.00 0.72 C ATOM 360 SD MET A 20 -13.272 7.749 5.457 1.00 0.85 S ATOM 361 CE MET A 20 -11.628 8.460 5.280 1.00 0.59 C ATOM 0 H MET A 20 -14.016 7.350 8.861 1.00 0.76 H new ATOM 0 HA MET A 20 -15.646 6.848 6.694 1.00 0.80 H new ATOM 0 HB2 MET A 20 -13.614 4.957 7.953 1.00 0.73 H new ATOM 0 HB3 MET A 20 -14.175 4.909 6.293 1.00 0.73 H new ATOM 0 HG2 MET A 20 -12.505 7.072 7.610 1.00 0.72 H new ATOM 0 HG3 MET A 20 -11.996 5.951 6.363 1.00 0.72 H new ATOM 0 HE1 MET A 20 -11.706 9.447 4.824 1.00 0.59 H new ATOM 0 HE2 MET A 20 -11.162 8.549 6.262 1.00 0.59 H new ATOM 0 HE3 MET A 20 -11.019 7.815 4.647 1.00 0.59 H new ATOM 371 N GLU A 21 -17.416 5.172 7.238 1.00 0.99 N ATOM 372 CA GLU A 21 -18.507 4.247 7.573 1.00 1.04 C ATOM 373 C GLU A 21 -18.318 2.864 6.924 1.00 1.02 C ATOM 374 O GLU A 21 -18.902 1.883 7.394 1.00 1.02 O ATOM 375 CB GLU A 21 -19.867 4.869 7.206 1.00 1.17 C ATOM 376 CG GLU A 21 -21.003 4.270 8.050 1.00 1.89 C ATOM 377 CD GLU A 21 -22.325 5.025 7.850 1.00 2.37 C ATOM 378 OE1 GLU A 21 -22.994 4.824 6.808 1.00 3.26 O ATOM 379 OE2 GLU A 21 -22.719 5.811 8.745 1.00 2.95 O ATOM 0 H GLU A 21 -17.591 5.740 6.409 1.00 0.99 H new ATOM 0 HA GLU A 21 -18.485 4.083 8.650 1.00 1.04 H new ATOM 0 HB2 GLU A 21 -19.828 5.948 7.358 1.00 1.17 H new ATOM 0 HB3 GLU A 21 -20.071 4.703 6.148 1.00 1.17 H new ATOM 0 HG2 GLU A 21 -21.140 3.222 7.783 1.00 1.89 H new ATOM 0 HG3 GLU A 21 -20.725 4.297 9.104 1.00 1.89 H new ATOM 386 N THR A 22 -17.485 2.770 5.873 1.00 1.02 N ATOM 387 CA THR A 22 -17.192 1.529 5.141 1.00 1.04 C ATOM 388 C THR A 22 -15.694 1.374 4.904 1.00 0.97 C ATOM 389 O THR A 22 -14.960 2.354 4.756 1.00 0.90 O ATOM 390 CB THR A 22 -17.968 1.458 3.814 1.00 1.12 C ATOM 391 OG1 THR A 22 -17.418 2.363 2.885 1.00 1.12 O ATOM 392 CG2 THR A 22 -19.456 1.784 3.977 1.00 1.22 C ATOM 0 H THR A 22 -16.985 3.577 5.501 1.00 1.02 H new ATOM 0 HA THR A 22 -17.525 0.697 5.762 1.00 1.04 H new ATOM 0 HB THR A 22 -17.881 0.430 3.461 1.00 1.12 H new ATOM 0 HG1 THR A 22 -17.916 2.310 2.043 1.00 1.12 H new ATOM 0 HG21 THR A 22 -19.951 1.718 3.008 1.00 1.22 H new ATOM 0 HG22 THR A 22 -19.911 1.073 4.666 1.00 1.22 H new ATOM 0 HG23 THR A 22 -19.566 2.794 4.373 1.00 1.22 H new ATOM 400 N ALA A 23 -15.237 0.121 4.815 1.00 0.98 N ATOM 401 CA ALA A 23 -13.861 -0.223 4.437 1.00 0.93 C ATOM 402 C ALA A 23 -13.510 0.330 3.044 1.00 0.91 C ATOM 403 O ALA A 23 -12.365 0.695 2.781 1.00 0.88 O ATOM 404 CB ALA A 23 -13.709 -1.749 4.508 1.00 0.99 C ATOM 0 H ALA A 23 -15.819 -0.694 5.006 1.00 0.98 H new ATOM 0 HA ALA A 23 -13.157 0.239 5.130 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -12.692 -2.027 4.230 1.00 0.99 H new ATOM 0 HB2 ALA A 23 -13.913 -2.088 5.524 1.00 0.99 H new ATOM 0 HB3 ALA A 23 -14.413 -2.217 3.820 1.00 0.99 H new ATOM 410 N GLU A 24 -14.523 0.437 2.180 1.00 0.96 N ATOM 411 CA GLU A 24 -14.434 1.065 0.866 1.00 0.98 C ATOM 412 C GLU A 24 -14.043 2.542 1.012 1.00 0.86 C ATOM 413 O GLU A 24 -13.096 2.983 0.369 1.00 0.85 O ATOM 414 CB GLU A 24 -15.751 0.918 0.080 1.00 1.10 C ATOM 415 CG GLU A 24 -16.348 -0.497 0.108 1.00 1.23 C ATOM 416 CD GLU A 24 -17.625 -0.579 -0.743 1.00 1.45 C ATOM 417 OE1 GLU A 24 -17.529 -0.847 -1.964 1.00 2.42 O ATOM 418 OE2 GLU A 24 -18.736 -0.390 -0.193 1.00 1.98 O ATOM 0 H GLU A 24 -15.455 0.077 2.385 1.00 0.96 H new ATOM 0 HA GLU A 24 -13.659 0.553 0.296 1.00 0.98 H new ATOM 0 HB2 GLU A 24 -16.483 1.617 0.486 1.00 1.10 H new ATOM 0 HB3 GLU A 24 -15.576 1.206 -0.957 1.00 1.10 H new ATOM 0 HG2 GLU A 24 -15.614 -1.212 -0.264 1.00 1.23 H new ATOM 0 HG3 GLU A 24 -16.575 -0.779 1.136 1.00 1.23 H new ATOM 425 N GLU A 25 -14.699 3.291 1.908 1.00 0.80 N ATOM 426 CA GLU A 25 -14.400 4.705 2.164 1.00 0.71 C ATOM 427 C GLU A 25 -12.971 4.903 2.703 1.00 0.63 C ATOM 428 O GLU A 25 -12.287 5.840 2.286 1.00 0.60 O ATOM 429 CB GLU A 25 -15.434 5.290 3.142 1.00 0.75 C ATOM 430 CG GLU A 25 -15.677 6.788 2.914 1.00 1.11 C ATOM 431 CD GLU A 25 -16.677 7.392 3.922 1.00 1.86 C ATOM 432 OE1 GLU A 25 -17.237 6.662 4.778 1.00 2.40 O ATOM 433 OE2 GLU A 25 -16.923 8.619 3.843 1.00 2.77 O ATOM 0 H GLU A 25 -15.460 2.928 2.481 1.00 0.80 H new ATOM 0 HA GLU A 25 -14.461 5.237 1.215 1.00 0.71 H new ATOM 0 HB2 GLU A 25 -16.376 4.752 3.035 1.00 0.75 H new ATOM 0 HB3 GLU A 25 -15.092 5.132 4.165 1.00 0.75 H new ATOM 0 HG2 GLU A 25 -14.729 7.320 2.987 1.00 1.11 H new ATOM 0 HG3 GLU A 25 -16.052 6.941 1.902 1.00 1.11 H new ATOM 440 N VAL A 26 -12.498 3.994 3.568 1.00 0.63 N ATOM 441 CA VAL A 26 -11.124 4.039 4.118 1.00 0.58 C ATOM 442 C VAL A 26 -10.082 3.969 2.996 1.00 0.58 C ATOM 443 O VAL A 26 -9.189 4.817 2.936 1.00 0.57 O ATOM 444 CB VAL A 26 -10.836 2.910 5.145 1.00 0.62 C ATOM 445 CG1 VAL A 26 -9.382 2.956 5.650 1.00 0.58 C ATOM 446 CG2 VAL A 26 -11.761 2.965 6.371 1.00 0.69 C ATOM 0 H VAL A 26 -13.050 3.207 3.909 1.00 0.63 H new ATOM 0 HA VAL A 26 -11.050 4.992 4.643 1.00 0.58 H new ATOM 0 HB VAL A 26 -11.020 1.983 4.602 1.00 0.62 H new ATOM 0 HG11 VAL A 26 -9.220 2.151 6.366 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -8.700 2.835 4.808 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -9.195 3.915 6.134 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -11.511 2.151 7.052 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -11.631 3.919 6.882 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -12.798 2.864 6.050 1.00 0.69 H new ATOM 456 N TYR A 27 -10.199 2.989 2.091 1.00 0.65 N ATOM 457 CA TYR A 27 -9.247 2.838 0.985 1.00 0.68 C ATOM 458 C TYR A 27 -9.477 3.913 -0.097 1.00 0.68 C ATOM 459 O TYR A 27 -8.536 4.371 -0.740 1.00 0.68 O ATOM 460 CB TYR A 27 -9.227 1.390 0.452 1.00 0.79 C ATOM 461 CG TYR A 27 -9.992 1.130 -0.831 1.00 0.91 C ATOM 462 CD1 TYR A 27 -9.451 1.516 -2.073 1.00 1.87 C ATOM 463 CD2 TYR A 27 -11.244 0.496 -0.782 1.00 1.46 C ATOM 464 CE1 TYR A 27 -10.189 1.326 -3.256 1.00 2.01 C ATOM 465 CE2 TYR A 27 -11.997 0.310 -1.957 1.00 1.48 C ATOM 466 CZ TYR A 27 -11.472 0.733 -3.200 1.00 1.18 C ATOM 467 OH TYR A 27 -12.192 0.566 -4.345 1.00 1.34 O ATOM 0 H TYR A 27 -10.942 2.290 2.103 1.00 0.65 H new ATOM 0 HA TYR A 27 -8.239 3.016 1.361 1.00 0.68 H new ATOM 0 HB2 TYR A 27 -8.188 1.099 0.295 1.00 0.79 H new ATOM 0 HB3 TYR A 27 -9.628 0.736 1.226 1.00 0.79 H new ATOM 0 HD1 TYR A 27 -8.467 1.959 -2.117 1.00 1.87 H new ATOM 0 HD2 TYR A 27 -11.632 0.148 0.164 1.00 1.46 H new ATOM 0 HE1 TYR A 27 -9.776 1.633 -4.206 1.00 2.01 H new ATOM 0 HE2 TYR A 27 -12.971 -0.154 -1.909 1.00 1.48 H new ATOM 0 HH TYR A 27 -13.050 0.143 -4.133 1.00 1.34 H new ATOM 477 N HIS A 28 -10.721 4.348 -0.290 1.00 0.70 N ATOM 478 CA HIS A 28 -11.095 5.407 -1.220 1.00 0.72 C ATOM 479 C HIS A 28 -10.483 6.777 -0.872 1.00 0.65 C ATOM 480 O HIS A 28 -10.007 7.469 -1.765 1.00 0.70 O ATOM 481 CB HIS A 28 -12.622 5.463 -1.319 1.00 0.79 C ATOM 482 CG HIS A 28 -13.179 6.519 -2.235 1.00 0.88 C ATOM 483 ND1 HIS A 28 -14.116 7.465 -1.888 1.00 0.99 N ATOM 484 CD2 HIS A 28 -12.949 6.653 -3.580 1.00 0.96 C ATOM 485 CE1 HIS A 28 -14.451 8.144 -2.995 1.00 1.10 C ATOM 486 NE2 HIS A 28 -13.766 7.687 -4.060 1.00 1.08 N ATOM 0 H HIS A 28 -11.519 3.960 0.213 1.00 0.70 H new ATOM 0 HA HIS A 28 -10.676 5.163 -2.196 1.00 0.72 H new ATOM 0 HB2 HIS A 28 -12.982 4.490 -1.655 1.00 0.79 H new ATOM 0 HB3 HIS A 28 -13.027 5.625 -0.320 1.00 0.79 H new ATOM 0 HD2 HIS A 28 -12.259 6.065 -4.167 1.00 0.96 H new ATOM 0 HE1 HIS A 28 -15.172 8.948 -3.028 1.00 1.10 H new ATOM 0 HE2 HIS A 28 -13.828 8.024 -5.021 1.00 1.08 H new ATOM 494 N GLU A 29 -10.465 7.202 0.396 1.00 0.57 N ATOM 495 CA GLU A 29 -9.832 8.490 0.738 1.00 0.56 C ATOM 496 C GLU A 29 -8.316 8.486 0.465 1.00 0.55 C ATOM 497 O GLU A 29 -7.774 9.453 -0.078 1.00 0.58 O ATOM 498 CB GLU A 29 -10.179 8.885 2.180 1.00 0.65 C ATOM 499 CG GLU A 29 -9.990 10.389 2.455 1.00 1.07 C ATOM 500 CD GLU A 29 -8.570 10.838 2.849 1.00 1.60 C ATOM 501 OE1 GLU A 29 -7.729 10.003 3.252 1.00 3.04 O ATOM 502 OE2 GLU A 29 -8.320 12.066 2.800 1.00 2.60 O ATOM 0 H GLU A 29 -10.867 6.695 1.184 1.00 0.57 H new ATOM 0 HA GLU A 29 -10.240 9.257 0.080 1.00 0.56 H new ATOM 0 HB2 GLU A 29 -11.213 8.611 2.387 1.00 0.65 H new ATOM 0 HB3 GLU A 29 -9.554 8.314 2.867 1.00 0.65 H new ATOM 0 HG2 GLU A 29 -10.288 10.940 1.563 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -10.674 10.680 3.252 1.00 1.07 H new ATOM 509 N ILE A 30 -7.627 7.385 0.788 1.00 0.54 N ATOM 510 CA ILE A 30 -6.176 7.258 0.541 1.00 0.58 C ATOM 511 C ILE A 30 -5.830 7.062 -0.944 1.00 0.62 C ATOM 512 O ILE A 30 -4.821 7.595 -1.401 1.00 0.67 O ATOM 513 CB ILE A 30 -5.525 6.192 1.448 1.00 0.63 C ATOM 514 CG1 ILE A 30 -6.043 4.787 1.110 1.00 0.67 C ATOM 515 CG2 ILE A 30 -5.751 6.555 2.928 1.00 0.65 C ATOM 516 CD1 ILE A 30 -5.562 3.683 2.039 1.00 0.75 C ATOM 0 H ILE A 30 -8.048 6.564 1.223 1.00 0.54 H new ATOM 0 HA ILE A 30 -5.737 8.217 0.818 1.00 0.58 H new ATOM 0 HB ILE A 30 -4.450 6.179 1.267 1.00 0.63 H new ATOM 0 HG12 ILE A 30 -7.133 4.805 1.125 1.00 0.67 H new ATOM 0 HG13 ILE A 30 -5.742 4.541 0.092 1.00 0.67 H new ATOM 0 HG21 ILE A 30 -5.289 5.799 3.563 1.00 0.65 H new ATOM 0 HG22 ILE A 30 -5.303 7.527 3.137 1.00 0.65 H new ATOM 0 HG23 ILE A 30 -6.821 6.597 3.133 1.00 0.65 H new ATOM 0 HD11 ILE A 30 -5.981 2.729 1.718 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -4.474 3.630 2.008 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -5.886 3.898 3.057 1.00 0.75 H new ATOM 528 N GLU A 31 -6.661 6.354 -1.717 1.00 0.64 N ATOM 529 CA GLU A 31 -6.470 6.200 -3.164 1.00 0.74 C ATOM 530 C GLU A 31 -6.760 7.504 -3.920 1.00 0.71 C ATOM 531 O GLU A 31 -6.013 7.858 -4.834 1.00 0.75 O ATOM 532 CB GLU A 31 -7.233 4.992 -3.730 1.00 0.86 C ATOM 533 CG GLU A 31 -8.751 5.062 -3.780 1.00 1.53 C ATOM 534 CD GLU A 31 -9.352 5.334 -5.160 1.00 1.98 C ATOM 535 OE1 GLU A 31 -9.055 6.399 -5.740 1.00 2.95 O ATOM 536 OE2 GLU A 31 -10.177 4.516 -5.632 1.00 2.50 O ATOM 0 H GLU A 31 -7.485 5.872 -1.357 1.00 0.64 H new ATOM 0 HA GLU A 31 -5.414 5.982 -3.326 1.00 0.74 H new ATOM 0 HB2 GLU A 31 -6.874 4.816 -4.744 1.00 0.86 H new ATOM 0 HB3 GLU A 31 -6.959 4.118 -3.139 1.00 0.86 H new ATOM 0 HG2 GLU A 31 -9.153 4.120 -3.407 1.00 1.53 H new ATOM 0 HG3 GLU A 31 -9.084 5.844 -3.097 1.00 1.53 H new ATOM 543 N LEU A 32 -7.768 8.278 -3.499 1.00 0.68 N ATOM 544 CA LEU A 32 -7.994 9.636 -3.995 1.00 0.73 C ATOM 545 C LEU A 32 -6.755 10.522 -3.801 1.00 0.69 C ATOM 546 O LEU A 32 -6.464 11.348 -4.664 1.00 0.74 O ATOM 547 CB LEU A 32 -9.214 10.245 -3.270 1.00 0.75 C ATOM 548 CG LEU A 32 -10.596 9.846 -3.825 1.00 0.88 C ATOM 549 CD1 LEU A 32 -11.668 10.431 -2.892 1.00 0.93 C ATOM 550 CD2 LEU A 32 -10.822 10.361 -5.254 1.00 1.03 C ATOM 0 H LEU A 32 -8.450 7.977 -2.803 1.00 0.68 H new ATOM 0 HA LEU A 32 -8.190 9.586 -5.066 1.00 0.73 H new ATOM 0 HB2 LEU A 32 -9.169 9.957 -2.220 1.00 0.75 H new ATOM 0 HB3 LEU A 32 -9.129 11.331 -3.307 1.00 0.75 H new ATOM 0 HG LEU A 32 -10.654 8.758 -3.866 1.00 0.88 H new ATOM 0 HD11 LEU A 32 -12.658 10.163 -3.262 1.00 0.93 H new ATOM 0 HD12 LEU A 32 -11.535 10.029 -1.888 1.00 0.93 H new ATOM 0 HD13 LEU A 32 -11.573 11.516 -2.864 1.00 0.93 H new ATOM 0 HD21 LEU A 32 -11.809 10.054 -5.600 1.00 1.03 H new ATOM 0 HD22 LEU A 32 -10.757 11.449 -5.263 1.00 1.03 H new ATOM 0 HD23 LEU A 32 -10.061 9.946 -5.915 1.00 1.03 H new ATOM 562 N GLN A 33 -5.991 10.338 -2.721 1.00 0.64 N ATOM 563 CA GLN A 33 -4.730 11.051 -2.498 1.00 0.66 C ATOM 564 C GLN A 33 -3.646 10.668 -3.526 1.00 0.67 C ATOM 565 O GLN A 33 -2.823 11.515 -3.866 1.00 0.81 O ATOM 566 CB GLN A 33 -4.277 10.842 -1.038 1.00 0.66 C ATOM 567 CG GLN A 33 -3.410 11.986 -0.476 1.00 0.78 C ATOM 568 CD GLN A 33 -1.920 11.649 -0.388 1.00 1.89 C ATOM 569 OE1 GLN A 33 -1.360 11.484 0.687 1.00 2.61 O ATOM 570 NE2 GLN A 33 -1.214 11.539 -1.493 1.00 3.17 N ATOM 0 H GLN A 33 -6.231 9.687 -1.973 1.00 0.64 H new ATOM 0 HA GLN A 33 -4.897 12.117 -2.654 1.00 0.66 H new ATOM 0 HB2 GLN A 33 -5.159 10.727 -0.408 1.00 0.66 H new ATOM 0 HB3 GLN A 33 -3.715 9.910 -0.973 1.00 0.66 H new ATOM 0 HG2 GLN A 33 -3.537 12.867 -1.105 1.00 0.78 H new ATOM 0 HG3 GLN A 33 -3.772 12.249 0.518 1.00 0.78 H new ATOM 0 HE21 GLN A 33 -1.662 11.673 -2.400 1.00 3.17 H new ATOM 0 HE22 GLN A 33 -0.219 11.320 -1.443 1.00 3.17 H new ATOM 579 N ALA A 34 -3.647 9.437 -4.055 1.00 0.60 N ATOM 580 CA ALA A 34 -2.838 9.042 -5.216 1.00 0.59 C ATOM 581 C ALA A 34 -3.383 9.616 -6.540 1.00 0.58 C ATOM 582 O ALA A 34 -2.608 10.114 -7.360 1.00 0.59 O ATOM 583 CB ALA A 34 -2.737 7.511 -5.258 1.00 0.64 C ATOM 0 H ALA A 34 -4.217 8.677 -3.684 1.00 0.60 H new ATOM 0 HA ALA A 34 -1.840 9.466 -5.102 1.00 0.59 H new ATOM 0 HB1 ALA A 34 -2.138 7.209 -6.117 1.00 0.64 H new ATOM 0 HB2 ALA A 34 -2.266 7.152 -4.343 1.00 0.64 H new ATOM 0 HB3 ALA A 34 -3.736 7.083 -5.344 1.00 0.64 H new ATOM 589 N GLN A 35 -4.709 9.585 -6.750 1.00 0.61 N ATOM 590 CA GLN A 35 -5.353 10.166 -7.941 1.00 0.68 C ATOM 591 C GLN A 35 -5.095 11.675 -8.061 1.00 0.75 C ATOM 592 O GLN A 35 -4.882 12.177 -9.164 1.00 0.79 O ATOM 593 CB GLN A 35 -6.877 9.940 -7.937 1.00 0.82 C ATOM 594 CG GLN A 35 -7.313 8.469 -8.045 1.00 0.79 C ATOM 595 CD GLN A 35 -8.677 8.305 -8.732 1.00 1.38 C ATOM 596 OE1 GLN A 35 -8.936 8.828 -9.811 1.00 1.75 O ATOM 597 NE2 GLN A 35 -9.607 7.580 -8.154 1.00 2.16 N ATOM 0 H GLN A 35 -5.366 9.156 -6.098 1.00 0.61 H new ATOM 0 HA GLN A 35 -4.907 9.653 -8.793 1.00 0.68 H new ATOM 0 HB2 GLN A 35 -7.290 10.360 -7.020 1.00 0.82 H new ATOM 0 HB3 GLN A 35 -7.314 10.495 -8.767 1.00 0.82 H new ATOM 0 HG2 GLN A 35 -6.560 7.911 -8.602 1.00 0.79 H new ATOM 0 HG3 GLN A 35 -7.359 8.033 -7.047 1.00 0.79 H new ATOM 0 HE21 GLN A 35 -9.421 7.133 -7.256 1.00 2.16 H new ATOM 0 HE22 GLN A 35 -10.516 7.464 -8.603 1.00 2.16 H new ATOM 606 N GLN A 36 -5.068 12.390 -6.931 1.00 0.79 N ATOM 607 CA GLN A 36 -4.812 13.833 -6.854 1.00 0.89 C ATOM 608 C GLN A 36 -3.441 14.227 -7.420 1.00 0.84 C ATOM 609 O GLN A 36 -3.260 15.360 -7.869 1.00 0.94 O ATOM 610 CB GLN A 36 -4.940 14.281 -5.385 1.00 0.99 C ATOM 611 CG GLN A 36 -6.388 14.608 -4.984 1.00 1.19 C ATOM 612 CD GLN A 36 -6.834 15.982 -5.496 1.00 1.56 C ATOM 613 OE1 GLN A 36 -6.593 17.013 -4.878 1.00 2.23 O ATOM 614 NE2 GLN A 36 -7.476 16.067 -6.645 1.00 2.06 N ATOM 0 H GLN A 36 -5.229 11.968 -6.017 1.00 0.79 H new ATOM 0 HA GLN A 36 -5.552 14.340 -7.473 1.00 0.89 H new ATOM 0 HB2 GLN A 36 -4.557 13.494 -4.736 1.00 0.99 H new ATOM 0 HB3 GLN A 36 -4.316 15.160 -5.223 1.00 0.99 H new ATOM 0 HG2 GLN A 36 -7.055 13.841 -5.379 1.00 1.19 H new ATOM 0 HG3 GLN A 36 -6.478 14.580 -3.898 1.00 1.19 H new ATOM 0 HE21 GLN A 36 -7.687 15.222 -7.175 1.00 2.06 H new ATOM 0 HE22 GLN A 36 -7.762 16.978 -7.003 1.00 2.06 H new ATOM 623 N LEU A 37 -2.485 13.294 -7.409 1.00 0.74 N ATOM 624 CA LEU A 37 -1.119 13.478 -7.894 1.00 0.75 C ATOM 625 C LEU A 37 -0.899 12.860 -9.294 1.00 0.72 C ATOM 626 O LEU A 37 0.203 12.957 -9.835 1.00 0.77 O ATOM 627 CB LEU A 37 -0.175 12.895 -6.827 1.00 0.73 C ATOM 628 CG LEU A 37 -0.363 13.461 -5.400 1.00 0.73 C ATOM 629 CD1 LEU A 37 0.583 12.748 -4.428 1.00 1.14 C ATOM 630 CD2 LEU A 37 -0.143 14.979 -5.334 1.00 1.08 C ATOM 0 H LEU A 37 -2.650 12.355 -7.048 1.00 0.74 H new ATOM 0 HA LEU A 37 -0.909 14.538 -8.034 1.00 0.75 H new ATOM 0 HB2 LEU A 37 -0.314 11.814 -6.793 1.00 0.73 H new ATOM 0 HB3 LEU A 37 0.854 13.074 -7.139 1.00 0.73 H new ATOM 0 HG LEU A 37 -1.398 13.276 -5.112 1.00 0.73 H new ATOM 0 HD11 LEU A 37 0.446 13.151 -3.425 1.00 1.14 H new ATOM 0 HD12 LEU A 37 0.363 11.680 -4.423 1.00 1.14 H new ATOM 0 HD13 LEU A 37 1.615 12.904 -4.744 1.00 1.14 H new ATOM 0 HD21 LEU A 37 -0.287 15.323 -4.310 1.00 1.08 H new ATOM 0 HD22 LEU A 37 0.871 15.214 -5.656 1.00 1.08 H new ATOM 0 HD23 LEU A 37 -0.857 15.479 -5.989 1.00 1.08 H new ATOM 642 N GLU A 38 -1.938 12.251 -9.884 1.00 0.68 N ATOM 643 CA GLU A 38 -1.973 11.691 -11.246 1.00 0.65 C ATOM 644 C GLU A 38 -0.898 10.606 -11.475 1.00 0.65 C ATOM 645 O GLU A 38 -0.178 10.592 -12.475 1.00 0.77 O ATOM 646 CB GLU A 38 -1.976 12.822 -12.295 1.00 0.70 C ATOM 647 CG GLU A 38 -2.536 12.364 -13.651 1.00 1.59 C ATOM 648 CD GLU A 38 -2.736 13.558 -14.596 1.00 1.62 C ATOM 649 OE1 GLU A 38 -1.786 13.930 -15.325 1.00 2.57 O ATOM 650 OE2 GLU A 38 -3.853 14.129 -14.626 1.00 2.51 O ATOM 0 H GLU A 38 -2.826 12.128 -9.398 1.00 0.68 H new ATOM 0 HA GLU A 38 -2.913 11.153 -11.372 1.00 0.65 H new ATOM 0 HB2 GLU A 38 -2.570 13.657 -11.923 1.00 0.70 H new ATOM 0 HB3 GLU A 38 -0.959 13.190 -12.431 1.00 0.70 H new ATOM 0 HG2 GLU A 38 -1.854 11.646 -14.106 1.00 1.59 H new ATOM 0 HG3 GLU A 38 -3.486 11.851 -13.502 1.00 1.59 H new ATOM 657 N TYR A 39 -0.765 9.693 -10.509 1.00 0.61 N ATOM 658 CA TYR A 39 0.243 8.627 -10.506 1.00 0.60 C ATOM 659 C TYR A 39 0.057 7.594 -11.639 1.00 0.56 C ATOM 660 O TYR A 39 0.908 7.524 -12.526 1.00 0.58 O ATOM 661 CB TYR A 39 0.153 7.943 -9.134 1.00 0.59 C ATOM 662 CG TYR A 39 0.872 8.584 -7.955 1.00 0.61 C ATOM 663 CD1 TYR A 39 1.335 9.916 -7.976 1.00 1.84 C ATOM 664 CD2 TYR A 39 1.191 7.765 -6.856 1.00 2.12 C ATOM 665 CE1 TYR A 39 2.072 10.426 -6.892 1.00 1.85 C ATOM 666 CE2 TYR A 39 1.932 8.264 -5.769 1.00 2.32 C ATOM 667 CZ TYR A 39 2.344 9.612 -5.772 1.00 1.14 C ATOM 668 OH TYR A 39 3.011 10.121 -4.704 1.00 1.52 O ATOM 0 H TYR A 39 -1.369 9.673 -9.687 1.00 0.61 H new ATOM 0 HA TYR A 39 1.224 9.066 -10.685 1.00 0.60 H new ATOM 0 HB2 TYR A 39 -0.902 7.860 -8.874 1.00 0.59 H new ATOM 0 HB3 TYR A 39 0.535 6.928 -9.244 1.00 0.59 H new ATOM 0 HD1 TYR A 39 1.123 10.546 -8.827 1.00 1.84 H new ATOM 0 HD2 TYR A 39 0.862 6.736 -6.847 1.00 2.12 H new ATOM 0 HE1 TYR A 39 2.431 11.444 -6.917 1.00 1.85 H new ATOM 0 HE2 TYR A 39 2.183 7.620 -4.939 1.00 2.32 H new ATOM 0 HH TYR A 39 2.915 9.516 -3.939 1.00 1.52 H new ATOM 678 N ASP A 40 -1.037 6.818 -11.607 1.00 0.54 N ATOM 679 CA ASP A 40 -1.325 5.572 -12.357 1.00 0.52 C ATOM 680 C ASP A 40 -2.362 4.750 -11.572 1.00 0.51 C ATOM 681 O ASP A 40 -3.558 4.858 -11.840 1.00 0.56 O ATOM 682 CB ASP A 40 -0.055 4.750 -12.669 1.00 0.59 C ATOM 683 CG ASP A 40 -0.300 3.343 -13.227 1.00 0.73 C ATOM 684 OD1 ASP A 40 -0.934 3.234 -14.302 1.00 1.57 O ATOM 685 OD2 ASP A 40 0.209 2.380 -12.601 1.00 1.77 O ATOM 0 H ASP A 40 -1.819 7.064 -11.001 1.00 0.54 H new ATOM 0 HA ASP A 40 -1.734 5.842 -13.330 1.00 0.52 H new ATOM 0 HB2 ASP A 40 0.550 5.306 -13.386 1.00 0.59 H new ATOM 0 HB3 ASP A 40 0.533 4.662 -11.756 1.00 0.59 H new ATOM 690 N TYR A 41 -1.911 3.976 -10.576 1.00 0.54 N ATOM 691 CA TYR A 41 -2.726 3.033 -9.802 1.00 0.55 C ATOM 692 C TYR A 41 -2.209 2.808 -8.365 1.00 0.56 C ATOM 693 O TYR A 41 -1.101 3.195 -7.993 1.00 0.51 O ATOM 694 CB TYR A 41 -2.800 1.680 -10.523 1.00 0.54 C ATOM 695 CG TYR A 41 -3.513 1.609 -11.863 1.00 0.55 C ATOM 696 CD1 TYR A 41 -4.857 2.016 -11.980 1.00 2.04 C ATOM 697 CD2 TYR A 41 -2.866 1.020 -12.968 1.00 2.28 C ATOM 698 CE1 TYR A 41 -5.533 1.885 -13.208 1.00 2.14 C ATOM 699 CE2 TYR A 41 -3.537 0.878 -14.196 1.00 2.24 C ATOM 700 CZ TYR A 41 -4.872 1.322 -14.323 1.00 0.68 C ATOM 701 OH TYR A 41 -5.527 1.168 -15.508 1.00 0.78 O ATOM 0 H TYR A 41 -0.936 3.990 -10.278 1.00 0.54 H new ATOM 0 HA TYR A 41 -3.715 3.485 -9.724 1.00 0.55 H new ATOM 0 HB2 TYR A 41 -1.779 1.328 -10.672 1.00 0.54 H new ATOM 0 HB3 TYR A 41 -3.286 0.973 -9.851 1.00 0.54 H new ATOM 0 HD1 TYR A 41 -5.370 2.430 -11.125 1.00 2.04 H new ATOM 0 HD2 TYR A 41 -1.847 0.675 -12.871 1.00 2.28 H new ATOM 0 HE1 TYR A 41 -6.557 2.215 -13.298 1.00 2.14 H new ATOM 0 HE2 TYR A 41 -3.033 0.431 -15.040 1.00 2.24 H new ATOM 0 HH TYR A 41 -4.922 0.767 -16.166 1.00 0.78 H new ATOM 711 N TYR A 42 -3.049 2.185 -7.540 1.00 0.64 N ATOM 712 CA TYR A 42 -2.924 2.084 -6.083 1.00 0.52 C ATOM 713 C TYR A 42 -3.428 0.725 -5.565 1.00 0.36 C ATOM 714 O TYR A 42 -4.458 0.226 -6.011 1.00 0.59 O ATOM 715 CB TYR A 42 -3.718 3.247 -5.464 1.00 0.82 C ATOM 716 CG TYR A 42 -5.024 3.539 -6.189 1.00 2.08 C ATOM 717 CD1 TYR A 42 -6.171 2.757 -5.944 1.00 2.54 C ATOM 718 CD2 TYR A 42 -5.059 4.537 -7.185 1.00 3.80 C ATOM 719 CE1 TYR A 42 -7.361 3.004 -6.654 1.00 3.90 C ATOM 720 CE2 TYR A 42 -6.234 4.764 -7.924 1.00 5.19 C ATOM 721 CZ TYR A 42 -7.397 4.015 -7.642 1.00 5.07 C ATOM 722 OH TYR A 42 -8.547 4.277 -8.321 1.00 6.54 O ATOM 0 H TYR A 42 -3.882 1.710 -7.888 1.00 0.64 H new ATOM 0 HA TYR A 42 -1.875 2.149 -5.795 1.00 0.52 H new ATOM 0 HB2 TYR A 42 -3.934 3.016 -4.421 1.00 0.82 H new ATOM 0 HB3 TYR A 42 -3.099 4.144 -5.470 1.00 0.82 H new ATOM 0 HD1 TYR A 42 -6.137 1.966 -5.209 1.00 2.54 H new ATOM 0 HD2 TYR A 42 -4.178 5.130 -7.381 1.00 3.80 H new ATOM 0 HE1 TYR A 42 -8.246 2.422 -6.444 1.00 3.90 H new ATOM 0 HE2 TYR A 42 -6.247 5.510 -8.705 1.00 5.19 H new ATOM 0 HH TYR A 42 -9.281 4.405 -7.684 1.00 6.54 H new ATOM 732 N SER A 43 -2.732 0.145 -4.593 1.00 0.39 N ATOM 733 CA SER A 43 -3.047 -1.150 -3.986 1.00 0.40 C ATOM 734 C SER A 43 -3.111 -1.058 -2.452 1.00 0.40 C ATOM 735 O SER A 43 -2.277 -0.405 -1.817 1.00 0.39 O ATOM 736 CB SER A 43 -1.965 -2.161 -4.384 1.00 0.60 C ATOM 737 OG SER A 43 -2.195 -3.415 -3.762 1.00 1.49 O ATOM 0 H SER A 43 -1.901 0.577 -4.189 1.00 0.39 H new ATOM 0 HA SER A 43 -4.026 -1.467 -4.346 1.00 0.40 H new ATOM 0 HB2 SER A 43 -1.956 -2.283 -5.467 1.00 0.60 H new ATOM 0 HB3 SER A 43 -0.984 -1.782 -4.098 1.00 0.60 H new ATOM 0 HG SER A 43 -1.495 -4.046 -4.030 1.00 1.49 H new ATOM 743 N LEU A 44 -4.076 -1.771 -1.864 1.00 0.50 N ATOM 744 CA LEU A 44 -4.196 -2.070 -0.438 1.00 0.53 C ATOM 745 C LEU A 44 -4.181 -3.596 -0.275 1.00 0.50 C ATOM 746 O LEU A 44 -4.890 -4.297 -0.999 1.00 0.53 O ATOM 747 CB LEU A 44 -5.533 -1.499 0.072 1.00 0.62 C ATOM 748 CG LEU A 44 -5.705 -1.625 1.604 1.00 0.70 C ATOM 749 CD1 LEU A 44 -5.358 -0.313 2.309 1.00 1.64 C ATOM 750 CD2 LEU A 44 -7.137 -2.025 1.949 1.00 1.29 C ATOM 0 H LEU A 44 -4.839 -2.178 -2.405 1.00 0.50 H new ATOM 0 HA LEU A 44 -3.377 -1.628 0.130 1.00 0.53 H new ATOM 0 HB2 LEU A 44 -5.603 -0.448 -0.210 1.00 0.62 H new ATOM 0 HB3 LEU A 44 -6.354 -2.017 -0.423 1.00 0.62 H new ATOM 0 HG LEU A 44 -5.020 -2.399 1.951 1.00 0.70 H new ATOM 0 HD11 LEU A 44 -5.488 -0.432 3.385 1.00 1.64 H new ATOM 0 HD12 LEU A 44 -4.322 -0.048 2.096 1.00 1.64 H new ATOM 0 HD13 LEU A 44 -6.016 0.478 1.949 1.00 1.64 H new ATOM 0 HD21 LEU A 44 -7.241 -2.109 3.031 1.00 1.29 H new ATOM 0 HD22 LEU A 44 -7.826 -1.267 1.576 1.00 1.29 H new ATOM 0 HD23 LEU A 44 -7.368 -2.985 1.487 1.00 1.29 H new ATOM 762 N CYS A 45 -3.426 -4.116 0.693 1.00 0.50 N ATOM 763 CA CYS A 45 -3.390 -5.539 1.029 1.00 0.49 C ATOM 764 C CYS A 45 -3.399 -5.740 2.558 1.00 0.51 C ATOM 765 O CYS A 45 -2.817 -4.949 3.303 1.00 0.57 O ATOM 766 CB CYS A 45 -2.173 -6.146 0.325 1.00 0.70 C ATOM 767 SG CYS A 45 -2.174 -7.952 0.496 1.00 1.14 S ATOM 0 H CYS A 45 -2.811 -3.549 1.276 1.00 0.50 H new ATOM 0 HA CYS A 45 -4.281 -6.059 0.677 1.00 0.49 H new ATOM 0 HB2 CYS A 45 -2.184 -5.875 -0.731 1.00 0.70 H new ATOM 0 HB3 CYS A 45 -1.257 -5.735 0.750 1.00 0.70 H new ATOM 0 HG CYS A 45 -1.130 -8.324 1.175 1.00 1.14 H new ATOM 773 N VAL A 46 -4.124 -6.758 3.022 1.00 0.53 N ATOM 774 CA VAL A 46 -4.535 -6.950 4.427 1.00 0.55 C ATOM 775 C VAL A 46 -4.458 -8.438 4.785 1.00 0.56 C ATOM 776 O VAL A 46 -4.882 -9.273 3.988 1.00 0.57 O ATOM 777 CB VAL A 46 -5.985 -6.436 4.640 1.00 0.62 C ATOM 778 CG1 VAL A 46 -6.457 -6.604 6.095 1.00 1.37 C ATOM 779 CG2 VAL A 46 -6.150 -4.954 4.247 1.00 1.59 C ATOM 0 H VAL A 46 -4.458 -7.504 2.412 1.00 0.53 H new ATOM 0 HA VAL A 46 -3.863 -6.384 5.072 1.00 0.55 H new ATOM 0 HB VAL A 46 -6.600 -7.053 3.985 1.00 0.62 H new ATOM 0 HG11 VAL A 46 -7.476 -6.230 6.192 1.00 1.37 H new ATOM 0 HG12 VAL A 46 -6.430 -7.659 6.367 1.00 1.37 H new ATOM 0 HG13 VAL A 46 -5.799 -6.042 6.758 1.00 1.37 H new ATOM 0 HG21 VAL A 46 -7.182 -4.646 4.415 1.00 1.59 H new ATOM 0 HG22 VAL A 46 -5.484 -4.340 4.854 1.00 1.59 H new ATOM 0 HG23 VAL A 46 -5.901 -4.827 3.194 1.00 1.59 H new ATOM 789 N ARG A 47 -3.945 -8.775 5.977 1.00 0.61 N ATOM 790 CA ARG A 47 -3.768 -10.159 6.443 1.00 0.65 C ATOM 791 C ARG A 47 -3.734 -10.245 7.976 1.00 0.82 C ATOM 792 O ARG A 47 -2.859 -9.677 8.627 1.00 1.20 O ATOM 793 CB ARG A 47 -2.483 -10.712 5.787 1.00 0.97 C ATOM 794 CG ARG A 47 -1.951 -12.062 6.306 1.00 1.65 C ATOM 795 CD ARG A 47 -0.832 -11.908 7.349 1.00 2.15 C ATOM 796 NE ARG A 47 -0.108 -13.177 7.552 1.00 3.22 N ATOM 797 CZ ARG A 47 0.994 -13.576 6.921 1.00 3.20 C ATOM 798 NH1 ARG A 47 1.580 -12.847 5.993 1.00 2.45 N ATOM 799 NH2 ARG A 47 1.530 -14.740 7.219 1.00 4.41 N ATOM 0 H ARG A 47 -3.636 -8.081 6.657 1.00 0.61 H new ATOM 0 HA ARG A 47 -4.619 -10.771 6.145 1.00 0.65 H new ATOM 0 HB2 ARG A 47 -2.666 -10.810 4.717 1.00 0.97 H new ATOM 0 HB3 ARG A 47 -1.695 -9.969 5.909 1.00 0.97 H new ATOM 0 HG2 ARG A 47 -2.774 -12.625 6.745 1.00 1.65 H new ATOM 0 HG3 ARG A 47 -1.578 -12.646 5.465 1.00 1.65 H new ATOM 0 HD2 ARG A 47 -0.134 -11.137 7.025 1.00 2.15 H new ATOM 0 HD3 ARG A 47 -1.258 -11.575 8.295 1.00 2.15 H new ATOM 0 HE ARG A 47 -0.492 -13.815 8.249 1.00 3.22 H new ATOM 0 HH11 ARG A 47 1.190 -11.941 5.735 1.00 2.45 H new ATOM 0 HH12 ARG A 47 2.424 -13.189 5.533 1.00 2.45 H new ATOM 0 HH21 ARG A 47 1.101 -15.332 7.930 1.00 4.41 H new ATOM 0 HH22 ARG A 47 2.374 -15.051 6.739 1.00 4.41 H new ATOM 813 N HIS A 48 -4.635 -11.034 8.562 1.00 0.83 N ATOM 814 CA HIS A 48 -4.605 -11.398 9.987 1.00 1.13 C ATOM 815 C HIS A 48 -4.275 -12.898 10.148 1.00 1.13 C ATOM 816 O HIS A 48 -4.930 -13.734 9.509 1.00 1.14 O ATOM 817 CB HIS A 48 -5.954 -11.085 10.652 1.00 1.44 C ATOM 818 CG HIS A 48 -5.950 -11.301 12.152 1.00 3.15 C ATOM 819 ND1 HIS A 48 -6.239 -12.475 12.809 1.00 4.20 N ATOM 820 CD2 HIS A 48 -5.632 -10.385 13.121 1.00 4.94 C ATOM 821 CE1 HIS A 48 -6.094 -12.274 14.129 1.00 5.79 C ATOM 822 NE2 HIS A 48 -5.717 -11.007 14.372 1.00 6.34 N ATOM 0 H HIS A 48 -5.419 -11.446 8.057 1.00 0.83 H new ATOM 0 HA HIS A 48 -3.829 -10.809 10.476 1.00 1.13 H new ATOM 0 HB2 HIS A 48 -6.223 -10.050 10.442 1.00 1.44 H new ATOM 0 HB3 HIS A 48 -6.725 -11.711 10.204 1.00 1.44 H new ATOM 0 HD2 HIS A 48 -5.361 -9.354 12.948 1.00 4.94 H new ATOM 0 HE1 HIS A 48 -6.257 -13.025 14.888 1.00 5.79 H new ATOM 0 HE2 HIS A 48 -5.531 -10.585 15.282 1.00 6.34 H new ATOM 830 N PRO A 49 -3.317 -13.278 11.015 1.00 1.22 N ATOM 831 CA PRO A 49 -2.949 -14.673 11.227 1.00 1.36 C ATOM 832 C PRO A 49 -3.961 -15.352 12.171 1.00 1.45 C ATOM 833 O PRO A 49 -3.662 -15.629 13.332 1.00 1.74 O ATOM 834 CB PRO A 49 -1.517 -14.602 11.777 1.00 1.51 C ATOM 835 CG PRO A 49 -1.523 -13.312 12.599 1.00 1.48 C ATOM 836 CD PRO A 49 -2.452 -12.400 11.799 1.00 1.29 C ATOM 0 HA PRO A 49 -2.975 -15.287 10.327 1.00 1.36 H new ATOM 0 HB2 PRO A 49 -1.278 -15.470 12.391 1.00 1.51 H new ATOM 0 HB3 PRO A 49 -0.779 -14.566 10.976 1.00 1.51 H new ATOM 0 HG2 PRO A 49 -1.894 -13.479 13.610 1.00 1.48 H new ATOM 0 HG3 PRO A 49 -0.523 -12.888 12.692 1.00 1.48 H new ATOM 0 HD2 PRO A 49 -3.041 -11.767 12.463 1.00 1.29 H new ATOM 0 HD3 PRO A 49 -1.881 -11.737 11.150 1.00 1.29 H new ATOM 844 N VAL A 50 -5.182 -15.606 11.679 1.00 1.37 N ATOM 845 CA VAL A 50 -6.259 -16.237 12.475 1.00 1.45 C ATOM 846 C VAL A 50 -5.887 -17.699 12.807 1.00 1.65 C ATOM 847 O VAL A 50 -5.535 -18.440 11.887 1.00 1.73 O ATOM 848 CB VAL A 50 -7.634 -16.227 11.762 1.00 1.39 C ATOM 849 CG1 VAL A 50 -8.743 -16.811 12.656 1.00 1.53 C ATOM 850 CG2 VAL A 50 -8.079 -14.817 11.354 1.00 1.23 C ATOM 0 H VAL A 50 -5.456 -15.383 10.722 1.00 1.37 H new ATOM 0 HA VAL A 50 -6.352 -15.641 13.383 1.00 1.45 H new ATOM 0 HB VAL A 50 -7.493 -16.840 10.872 1.00 1.39 H new ATOM 0 HG11 VAL A 50 -9.692 -16.787 12.121 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -8.498 -17.841 12.914 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -8.825 -16.219 13.567 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -9.049 -14.870 10.859 1.00 1.23 H new ATOM 0 HG22 VAL A 50 -8.159 -14.190 12.242 1.00 1.23 H new ATOM 0 HG23 VAL A 50 -7.346 -14.388 10.671 1.00 1.23 H new ATOM 860 N PRO A 51 -5.979 -18.135 14.083 1.00 1.81 N ATOM 861 CA PRO A 51 -5.682 -19.509 14.485 1.00 2.03 C ATOM 862 C PRO A 51 -6.906 -20.443 14.452 1.00 1.92 C ATOM 863 O PRO A 51 -6.748 -21.650 14.277 1.00 2.06 O ATOM 864 CB PRO A 51 -5.110 -19.374 15.898 1.00 2.30 C ATOM 865 CG PRO A 51 -5.829 -18.157 16.478 1.00 2.21 C ATOM 866 CD PRO A 51 -6.159 -17.291 15.258 1.00 1.89 C ATOM 0 HA PRO A 51 -4.988 -19.978 13.788 1.00 2.03 H new ATOM 0 HB2 PRO A 51 -5.299 -20.269 16.491 1.00 2.30 H new ATOM 0 HB3 PRO A 51 -4.030 -19.227 15.878 1.00 2.30 H new ATOM 0 HG2 PRO A 51 -6.732 -18.448 17.015 1.00 2.21 H new ATOM 0 HG3 PRO A 51 -5.196 -17.622 17.186 1.00 2.21 H new ATOM 0 HD2 PRO A 51 -7.182 -16.918 15.313 1.00 1.89 H new ATOM 0 HD3 PRO A 51 -5.504 -16.421 15.213 1.00 1.89 H new ATOM 874 N PHE A 52 -8.121 -19.898 14.592 1.00 1.74 N ATOM 875 CA PHE A 52 -9.395 -20.639 14.569 1.00 1.71 C ATOM 876 C PHE A 52 -9.852 -21.062 13.160 1.00 1.63 C ATOM 877 O PHE A 52 -10.713 -21.937 13.032 1.00 1.76 O ATOM 878 CB PHE A 52 -10.486 -19.772 15.225 1.00 1.71 C ATOM 879 CG PHE A 52 -10.529 -19.870 16.737 1.00 1.85 C ATOM 880 CD1 PHE A 52 -9.641 -19.115 17.524 1.00 2.80 C ATOM 881 CD2 PHE A 52 -11.463 -20.722 17.358 1.00 2.58 C ATOM 882 CE1 PHE A 52 -9.684 -19.213 18.927 1.00 2.89 C ATOM 883 CE2 PHE A 52 -11.511 -20.814 18.761 1.00 2.84 C ATOM 884 CZ PHE A 52 -10.621 -20.061 19.546 1.00 2.30 C ATOM 0 H PHE A 52 -8.252 -18.896 14.729 1.00 1.74 H new ATOM 0 HA PHE A 52 -9.231 -21.564 15.122 1.00 1.71 H new ATOM 0 HB2 PHE A 52 -10.326 -18.731 14.944 1.00 1.71 H new ATOM 0 HB3 PHE A 52 -11.457 -20.065 14.825 1.00 1.71 H new ATOM 0 HD1 PHE A 52 -8.925 -18.459 17.051 1.00 2.80 H new ATOM 0 HD2 PHE A 52 -12.144 -21.306 16.756 1.00 2.58 H new ATOM 0 HE1 PHE A 52 -8.997 -18.637 19.529 1.00 2.89 H new ATOM 0 HE2 PHE A 52 -12.232 -21.463 19.235 1.00 2.84 H new ATOM 0 HZ PHE A 52 -10.656 -20.133 20.623 1.00 2.30 H new ATOM 894 N THR A 53 -9.297 -20.440 12.113 1.00 1.47 N ATOM 895 CA THR A 53 -9.659 -20.636 10.700 1.00 1.43 C ATOM 896 C THR A 53 -8.398 -20.732 9.848 1.00 1.44 C ATOM 897 O THR A 53 -7.329 -20.299 10.282 1.00 1.49 O ATOM 898 CB THR A 53 -10.622 -19.516 10.254 1.00 1.37 C ATOM 899 OG1 THR A 53 -11.600 -20.115 9.433 1.00 1.74 O ATOM 900 CG2 THR A 53 -10.011 -18.350 9.476 1.00 1.34 C ATOM 0 H THR A 53 -8.550 -19.756 12.230 1.00 1.47 H new ATOM 0 HA THR A 53 -10.190 -21.578 10.567 1.00 1.43 H new ATOM 0 HB THR A 53 -11.001 -19.071 11.174 1.00 1.37 H new ATOM 0 HG1 THR A 53 -12.235 -19.433 9.129 1.00 1.74 H new ATOM 0 HG21 THR A 53 -10.792 -17.633 9.222 1.00 1.34 H new ATOM 0 HG22 THR A 53 -9.254 -17.861 10.089 1.00 1.34 H new ATOM 0 HG23 THR A 53 -9.551 -18.724 8.561 1.00 1.34 H new ATOM 908 N ARG A 54 -8.502 -21.261 8.625 1.00 1.52 N ATOM 909 CA ARG A 54 -7.372 -21.259 7.684 1.00 1.60 C ATOM 910 C ARG A 54 -7.024 -19.804 7.312 1.00 1.38 C ATOM 911 O ARG A 54 -7.923 -19.081 6.873 1.00 1.36 O ATOM 912 CB ARG A 54 -7.696 -22.071 6.422 1.00 1.82 C ATOM 913 CG ARG A 54 -7.717 -23.595 6.631 1.00 2.15 C ATOM 914 CD ARG A 54 -6.334 -24.132 7.027 1.00 2.60 C ATOM 915 NE ARG A 54 -6.243 -25.592 6.852 1.00 2.99 N ATOM 916 CZ ARG A 54 -5.132 -26.287 6.630 1.00 3.70 C ATOM 917 NH1 ARG A 54 -3.944 -25.717 6.584 1.00 4.36 N ATOM 918 NH2 ARG A 54 -5.200 -27.587 6.446 1.00 4.02 N ATOM 0 H ARG A 54 -9.351 -21.694 8.263 1.00 1.52 H new ATOM 0 HA ARG A 54 -6.515 -21.729 8.166 1.00 1.60 H new ATOM 0 HB2 ARG A 54 -8.668 -21.756 6.042 1.00 1.82 H new ATOM 0 HB3 ARG A 54 -6.961 -21.833 5.653 1.00 1.82 H new ATOM 0 HG2 ARG A 54 -8.441 -23.846 7.406 1.00 2.15 H new ATOM 0 HG3 ARG A 54 -8.049 -24.084 5.715 1.00 2.15 H new ATOM 0 HD2 ARG A 54 -5.568 -23.645 6.423 1.00 2.60 H new ATOM 0 HD3 ARG A 54 -6.129 -23.877 8.067 1.00 2.60 H new ATOM 0 HE ARG A 54 -7.115 -26.119 6.906 1.00 2.99 H new ATOM 0 HH11 ARG A 54 -3.856 -24.710 6.721 1.00 4.36 H new ATOM 0 HH12 ARG A 54 -3.113 -26.283 6.411 1.00 4.36 H new ATOM 0 HH21 ARG A 54 -6.104 -28.059 6.474 1.00 4.02 H new ATOM 0 HH22 ARG A 54 -4.349 -28.123 6.275 1.00 4.02 H new ATOM 932 N PRO A 55 -5.766 -19.359 7.495 1.00 1.33 N ATOM 933 CA PRO A 55 -5.397 -17.948 7.451 1.00 1.16 C ATOM 934 C PRO A 55 -5.478 -17.404 6.023 1.00 1.08 C ATOM 935 O PRO A 55 -5.281 -18.138 5.053 1.00 1.19 O ATOM 936 CB PRO A 55 -3.990 -17.866 8.052 1.00 1.32 C ATOM 937 CG PRO A 55 -3.401 -19.249 7.776 1.00 1.54 C ATOM 938 CD PRO A 55 -4.615 -20.177 7.835 1.00 1.54 C ATOM 0 HA PRO A 55 -6.083 -17.323 8.023 1.00 1.16 H new ATOM 0 HB2 PRO A 55 -3.400 -17.078 7.585 1.00 1.32 H new ATOM 0 HB3 PRO A 55 -4.022 -17.649 9.120 1.00 1.32 H new ATOM 0 HG2 PRO A 55 -2.913 -19.289 6.802 1.00 1.54 H new ATOM 0 HG3 PRO A 55 -2.652 -19.521 8.520 1.00 1.54 H new ATOM 0 HD2 PRO A 55 -4.506 -21.006 7.136 1.00 1.54 H new ATOM 0 HD3 PRO A 55 -4.726 -20.611 8.829 1.00 1.54 H new ATOM 946 N LYS A 56 -5.801 -16.113 5.903 1.00 0.97 N ATOM 947 CA LYS A 56 -6.191 -15.479 4.632 1.00 0.93 C ATOM 948 C LYS A 56 -5.429 -14.174 4.344 1.00 0.79 C ATOM 949 O LYS A 56 -4.891 -13.529 5.246 1.00 0.80 O ATOM 950 CB LYS A 56 -7.712 -15.190 4.636 1.00 1.07 C ATOM 951 CG LYS A 56 -8.640 -16.410 4.760 1.00 1.55 C ATOM 952 CD LYS A 56 -8.512 -17.408 3.595 1.00 2.40 C ATOM 953 CE LYS A 56 -9.436 -18.624 3.763 1.00 3.38 C ATOM 954 NZ LYS A 56 -10.877 -18.276 3.630 1.00 3.98 N ATOM 0 H LYS A 56 -5.800 -15.468 6.693 1.00 0.97 H new ATOM 0 HA LYS A 56 -5.932 -16.183 3.842 1.00 0.93 H new ATOM 0 HB2 LYS A 56 -7.928 -14.511 5.461 1.00 1.07 H new ATOM 0 HB3 LYS A 56 -7.962 -14.663 3.715 1.00 1.07 H new ATOM 0 HG2 LYS A 56 -8.422 -16.927 5.695 1.00 1.55 H new ATOM 0 HG3 LYS A 56 -9.672 -16.065 4.819 1.00 1.55 H new ATOM 0 HD2 LYS A 56 -8.748 -16.902 2.659 1.00 2.40 H new ATOM 0 HD3 LYS A 56 -7.479 -17.747 3.522 1.00 2.40 H new ATOM 0 HE2 LYS A 56 -9.178 -19.376 3.017 1.00 3.38 H new ATOM 0 HE3 LYS A 56 -9.264 -19.073 4.741 1.00 3.38 H new ATOM 0 HZ1 LYS A 56 -11.453 -19.136 3.735 1.00 3.98 H new ATOM 0 HZ2 LYS A 56 -11.138 -17.592 4.368 1.00 3.98 H new ATOM 0 HZ3 LYS A 56 -11.048 -17.857 2.694 1.00 3.98 H new ATOM 968 N VAL A 57 -5.460 -13.762 3.075 1.00 0.74 N ATOM 969 CA VAL A 57 -5.049 -12.437 2.592 1.00 0.62 C ATOM 970 C VAL A 57 -6.216 -11.844 1.790 1.00 0.55 C ATOM 971 O VAL A 57 -6.857 -12.554 1.013 1.00 0.63 O ATOM 972 CB VAL A 57 -3.786 -12.516 1.695 1.00 0.78 C ATOM 973 CG1 VAL A 57 -3.275 -11.119 1.310 1.00 1.85 C ATOM 974 CG2 VAL A 57 -2.630 -13.274 2.372 1.00 1.71 C ATOM 0 H VAL A 57 -5.786 -14.367 2.321 1.00 0.74 H new ATOM 0 HA VAL A 57 -4.799 -11.809 3.447 1.00 0.62 H new ATOM 0 HB VAL A 57 -4.099 -13.059 0.803 1.00 0.78 H new ATOM 0 HG11 VAL A 57 -2.390 -11.216 0.682 1.00 1.85 H new ATOM 0 HG12 VAL A 57 -4.052 -10.586 0.762 1.00 1.85 H new ATOM 0 HG13 VAL A 57 -3.021 -10.563 2.212 1.00 1.85 H new ATOM 0 HG21 VAL A 57 -1.771 -13.301 1.702 1.00 1.71 H new ATOM 0 HG22 VAL A 57 -2.354 -12.766 3.296 1.00 1.71 H new ATOM 0 HG23 VAL A 57 -2.946 -14.293 2.598 1.00 1.71 H new ATOM 984 N ALA A 58 -6.462 -10.545 1.954 1.00 0.48 N ATOM 985 CA ALA A 58 -7.369 -9.748 1.131 1.00 0.51 C ATOM 986 C ALA A 58 -6.590 -8.608 0.466 1.00 0.44 C ATOM 987 O ALA A 58 -5.632 -8.073 1.037 1.00 0.42 O ATOM 988 CB ALA A 58 -8.509 -9.195 1.999 1.00 0.62 C ATOM 0 H ALA A 58 -6.018 -9.999 2.692 1.00 0.48 H new ATOM 0 HA ALA A 58 -7.803 -10.375 0.352 1.00 0.51 H new ATOM 0 HB1 ALA A 58 -9.182 -8.602 1.380 1.00 0.62 H new ATOM 0 HB2 ALA A 58 -9.061 -10.022 2.445 1.00 0.62 H new ATOM 0 HB3 ALA A 58 -8.094 -8.568 2.788 1.00 0.62 H new ATOM 994 N PHE A 59 -7.015 -8.241 -0.740 1.00 0.53 N ATOM 995 CA PHE A 59 -6.356 -7.251 -1.583 1.00 0.45 C ATOM 996 C PHE A 59 -7.375 -6.490 -2.440 1.00 0.43 C ATOM 997 O PHE A 59 -8.314 -7.075 -2.981 1.00 0.47 O ATOM 998 CB PHE A 59 -5.247 -7.917 -2.423 1.00 0.42 C ATOM 999 CG PHE A 59 -5.568 -9.277 -3.037 1.00 0.47 C ATOM 1000 CD1 PHE A 59 -6.476 -9.385 -4.110 1.00 1.94 C ATOM 1001 CD2 PHE A 59 -4.927 -10.443 -2.563 1.00 1.73 C ATOM 1002 CE1 PHE A 59 -6.777 -10.640 -4.667 1.00 1.95 C ATOM 1003 CE2 PHE A 59 -5.230 -11.698 -3.119 1.00 1.81 C ATOM 1004 CZ PHE A 59 -6.160 -11.798 -4.167 1.00 0.72 C ATOM 0 H PHE A 59 -7.852 -8.636 -1.169 1.00 0.53 H new ATOM 0 HA PHE A 59 -5.875 -6.507 -0.948 1.00 0.45 H new ATOM 0 HB2 PHE A 59 -4.977 -7.236 -3.230 1.00 0.42 H new ATOM 0 HB3 PHE A 59 -4.365 -8.029 -1.792 1.00 0.42 H new ATOM 0 HD1 PHE A 59 -6.944 -8.496 -4.507 1.00 1.94 H new ATOM 0 HD2 PHE A 59 -4.199 -10.370 -1.768 1.00 1.73 H new ATOM 0 HE1 PHE A 59 -7.484 -10.714 -5.480 1.00 1.95 H new ATOM 0 HE2 PHE A 59 -4.747 -12.587 -2.740 1.00 1.81 H new ATOM 0 HZ PHE A 59 -6.400 -12.763 -4.587 1.00 0.72 H new ATOM 1014 N TYR A 60 -7.172 -5.177 -2.563 1.00 0.41 N ATOM 1015 CA TYR A 60 -8.006 -4.256 -3.344 1.00 0.45 C ATOM 1016 C TYR A 60 -7.115 -3.315 -4.175 1.00 0.43 C ATOM 1017 O TYR A 60 -6.145 -2.748 -3.661 1.00 0.44 O ATOM 1018 CB TYR A 60 -8.932 -3.451 -2.410 1.00 0.56 C ATOM 1019 CG TYR A 60 -9.755 -4.284 -1.438 1.00 0.60 C ATOM 1020 CD1 TYR A 60 -10.580 -5.324 -1.911 1.00 2.08 C ATOM 1021 CD2 TYR A 60 -9.671 -4.045 -0.053 1.00 1.99 C ATOM 1022 CE1 TYR A 60 -11.274 -6.149 -1.008 1.00 2.11 C ATOM 1023 CE2 TYR A 60 -10.371 -4.858 0.859 1.00 2.00 C ATOM 1024 CZ TYR A 60 -11.169 -5.924 0.383 1.00 0.68 C ATOM 1025 OH TYR A 60 -11.830 -6.736 1.255 1.00 0.74 O ATOM 0 H TYR A 60 -6.392 -4.706 -2.104 1.00 0.41 H new ATOM 0 HA TYR A 60 -8.630 -4.833 -4.027 1.00 0.45 H new ATOM 0 HB2 TYR A 60 -8.324 -2.750 -1.838 1.00 0.56 H new ATOM 0 HB3 TYR A 60 -9.612 -2.858 -3.022 1.00 0.56 H new ATOM 0 HD1 TYR A 60 -10.680 -5.488 -2.974 1.00 2.08 H new ATOM 0 HD2 TYR A 60 -9.064 -3.230 0.313 1.00 1.99 H new ATOM 0 HE1 TYR A 60 -11.888 -6.956 -1.378 1.00 2.11 H new ATOM 0 HE2 TYR A 60 -10.299 -4.668 1.920 1.00 2.00 H new ATOM 0 HH TYR A 60 -11.650 -6.445 2.173 1.00 0.74 H new ATOM 1035 N THR A 61 -7.446 -3.141 -5.459 1.00 0.47 N ATOM 1036 CA THR A 61 -6.689 -2.339 -6.433 1.00 0.47 C ATOM 1037 C THR A 61 -7.552 -2.028 -7.648 1.00 0.55 C ATOM 1038 O THR A 61 -8.413 -2.826 -8.021 1.00 0.68 O ATOM 1039 CB THR A 61 -5.356 -3.010 -6.812 1.00 0.48 C ATOM 1040 OG1 THR A 61 -4.711 -2.182 -7.744 1.00 0.83 O ATOM 1041 CG2 THR A 61 -5.478 -4.394 -7.451 1.00 0.61 C ATOM 0 H THR A 61 -8.278 -3.569 -5.866 1.00 0.47 H new ATOM 0 HA THR A 61 -6.426 -1.390 -5.966 1.00 0.47 H new ATOM 0 HB THR A 61 -4.812 -3.145 -5.877 1.00 0.48 H new ATOM 0 HG1 THR A 61 -4.227 -2.735 -8.393 1.00 0.83 H new ATOM 0 HG21 THR A 61 -4.484 -4.778 -7.679 1.00 0.61 H new ATOM 0 HG22 THR A 61 -5.979 -5.071 -6.759 1.00 0.61 H new ATOM 0 HG23 THR A 61 -6.059 -4.320 -8.371 1.00 0.61 H new ATOM 1049 N ASN A 62 -7.317 -0.866 -8.259 1.00 0.52 N ATOM 1050 CA ASN A 62 -7.961 -0.454 -9.513 1.00 0.59 C ATOM 1051 C ASN A 62 -7.113 -0.808 -10.758 1.00 0.54 C ATOM 1052 O ASN A 62 -7.344 -0.283 -11.849 1.00 0.59 O ATOM 1053 CB ASN A 62 -8.340 1.035 -9.433 1.00 0.72 C ATOM 1054 CG ASN A 62 -9.388 1.460 -10.467 1.00 1.49 C ATOM 1055 OD1 ASN A 62 -10.145 0.660 -11.009 1.00 2.08 O ATOM 1056 ND2 ASN A 62 -9.489 2.746 -10.747 1.00 2.18 N ATOM 0 H ASN A 62 -6.665 -0.172 -7.893 1.00 0.52 H new ATOM 0 HA ASN A 62 -8.881 -1.024 -9.639 1.00 0.59 H new ATOM 0 HB2 ASN A 62 -8.719 1.251 -8.434 1.00 0.72 H new ATOM 0 HB3 ASN A 62 -7.442 1.637 -9.570 1.00 0.72 H new ATOM 0 HD21 ASN A 62 -10.193 3.070 -11.410 1.00 2.18 H new ATOM 0 HD22 ASN A 62 -8.863 3.416 -10.300 1.00 2.18 H new ATOM 1063 N TYR A 63 -6.130 -1.708 -10.614 1.00 0.48 N ATOM 1064 CA TYR A 63 -5.348 -2.266 -11.725 1.00 0.46 C ATOM 1065 C TYR A 63 -6.241 -2.862 -12.843 1.00 0.47 C ATOM 1066 O TYR A 63 -7.362 -3.308 -12.562 1.00 0.51 O ATOM 1067 CB TYR A 63 -4.436 -3.385 -11.184 1.00 0.44 C ATOM 1068 CG TYR A 63 -3.254 -3.024 -10.306 1.00 0.42 C ATOM 1069 CD1 TYR A 63 -2.741 -1.716 -10.236 1.00 1.80 C ATOM 1070 CD2 TYR A 63 -2.659 -4.041 -9.538 1.00 1.65 C ATOM 1071 CE1 TYR A 63 -1.679 -1.405 -9.364 1.00 1.80 C ATOM 1072 CE2 TYR A 63 -1.572 -3.740 -8.698 1.00 1.67 C ATOM 1073 CZ TYR A 63 -1.084 -2.421 -8.591 1.00 0.50 C ATOM 1074 OH TYR A 63 -0.041 -2.130 -7.764 1.00 0.59 O ATOM 0 H TYR A 63 -5.851 -2.075 -9.704 1.00 0.48 H new ATOM 0 HA TYR A 63 -4.770 -1.449 -12.157 1.00 0.46 H new ATOM 0 HB2 TYR A 63 -5.064 -4.074 -10.620 1.00 0.44 H new ATOM 0 HB3 TYR A 63 -4.050 -3.935 -12.042 1.00 0.44 H new ATOM 0 HD1 TYR A 63 -3.166 -0.942 -10.858 1.00 1.80 H new ATOM 0 HD2 TYR A 63 -3.036 -5.051 -9.593 1.00 1.65 H new ATOM 0 HE1 TYR A 63 -1.322 -0.389 -9.288 1.00 1.80 H new ATOM 0 HE2 TYR A 63 -1.105 -4.529 -8.127 1.00 1.67 H new ATOM 0 HH TYR A 63 0.249 -2.945 -7.304 1.00 0.59 H new ATOM 1084 N PRO A 64 -5.747 -2.914 -14.098 1.00 0.46 N ATOM 1085 CA PRO A 64 -6.468 -3.506 -15.217 1.00 0.47 C ATOM 1086 C PRO A 64 -6.703 -4.997 -14.964 1.00 0.44 C ATOM 1087 O PRO A 64 -5.822 -5.693 -14.457 1.00 0.42 O ATOM 1088 CB PRO A 64 -5.613 -3.255 -16.466 1.00 0.52 C ATOM 1089 CG PRO A 64 -4.210 -2.995 -15.919 1.00 0.49 C ATOM 1090 CD PRO A 64 -4.475 -2.379 -14.553 1.00 0.47 C ATOM 0 HA PRO A 64 -7.455 -3.062 -15.348 1.00 0.47 H new ATOM 0 HB2 PRO A 64 -5.626 -4.115 -17.136 1.00 0.52 H new ATOM 0 HB3 PRO A 64 -5.982 -2.402 -17.036 1.00 0.52 H new ATOM 0 HG2 PRO A 64 -3.632 -3.916 -15.840 1.00 0.49 H new ATOM 0 HG3 PRO A 64 -3.646 -2.319 -16.562 1.00 0.49 H new ATOM 0 HD2 PRO A 64 -3.677 -2.628 -13.854 1.00 0.47 H new ATOM 0 HD3 PRO A 64 -4.513 -1.292 -14.619 1.00 0.47 H new ATOM 1098 N GLU A 65 -7.887 -5.497 -15.334 1.00 0.46 N ATOM 1099 CA GLU A 65 -8.301 -6.875 -15.052 1.00 0.50 C ATOM 1100 C GLU A 65 -7.356 -7.913 -15.680 1.00 0.52 C ATOM 1101 O GLU A 65 -7.199 -9.003 -15.139 1.00 0.57 O ATOM 1102 CB GLU A 65 -9.749 -7.089 -15.528 1.00 0.56 C ATOM 1103 CG GLU A 65 -9.889 -7.247 -17.050 1.00 0.58 C ATOM 1104 CD GLU A 65 -11.361 -7.354 -17.472 1.00 0.80 C ATOM 1105 OE1 GLU A 65 -12.002 -6.305 -17.720 1.00 1.72 O ATOM 1106 OE2 GLU A 65 -11.886 -8.489 -17.572 1.00 1.74 O ATOM 0 H GLU A 65 -8.588 -4.955 -15.839 1.00 0.46 H new ATOM 0 HA GLU A 65 -8.249 -7.024 -13.974 1.00 0.50 H new ATOM 0 HB2 GLU A 65 -10.153 -7.977 -15.042 1.00 0.56 H new ATOM 0 HB3 GLU A 65 -10.356 -6.244 -15.203 1.00 0.56 H new ATOM 0 HG2 GLU A 65 -9.427 -6.395 -17.549 1.00 0.58 H new ATOM 0 HG3 GLU A 65 -9.351 -8.137 -17.375 1.00 0.58 H new ATOM 1113 N ALA A 66 -6.685 -7.569 -16.785 1.00 0.53 N ATOM 1114 CA ALA A 66 -5.694 -8.420 -17.439 1.00 0.60 C ATOM 1115 C ALA A 66 -4.452 -8.639 -16.558 1.00 0.58 C ATOM 1116 O ALA A 66 -3.929 -9.751 -16.513 1.00 0.63 O ATOM 1117 CB ALA A 66 -5.339 -7.783 -18.789 1.00 0.65 C ATOM 0 H ALA A 66 -6.821 -6.674 -17.256 1.00 0.53 H new ATOM 0 HA ALA A 66 -6.112 -9.413 -17.602 1.00 0.60 H new ATOM 0 HB1 ALA A 66 -4.599 -8.400 -19.299 1.00 0.65 H new ATOM 0 HB2 ALA A 66 -6.236 -7.709 -19.404 1.00 0.65 H new ATOM 0 HB3 ALA A 66 -4.929 -6.786 -18.625 1.00 0.65 H new ATOM 1123 N TRP A 67 -4.031 -7.620 -15.796 1.00 0.51 N ATOM 1124 CA TRP A 67 -2.956 -7.756 -14.811 1.00 0.51 C ATOM 1125 C TRP A 67 -3.448 -8.461 -13.547 1.00 0.48 C ATOM 1126 O TRP A 67 -2.772 -9.347 -13.028 1.00 0.54 O ATOM 1127 CB TRP A 67 -2.362 -6.389 -14.444 1.00 0.50 C ATOM 1128 CG TRP A 67 -1.261 -6.459 -13.428 1.00 0.64 C ATOM 1129 CD1 TRP A 67 -1.197 -5.725 -12.294 1.00 0.82 C ATOM 1130 CD2 TRP A 67 -0.114 -7.370 -13.373 1.00 0.81 C ATOM 1131 NE1 TRP A 67 -0.119 -6.128 -11.534 1.00 1.04 N ATOM 1132 CE2 TRP A 67 0.589 -7.131 -12.153 1.00 1.05 C ATOM 1133 CE3 TRP A 67 0.385 -8.404 -14.201 1.00 0.90 C ATOM 1134 CZ2 TRP A 67 1.732 -7.853 -11.786 1.00 1.31 C ATOM 1135 CZ3 TRP A 67 1.488 -9.178 -13.806 1.00 1.18 C ATOM 1136 CH2 TRP A 67 2.185 -8.876 -12.629 1.00 1.36 C ATOM 0 H TRP A 67 -4.427 -6.681 -15.847 1.00 0.51 H new ATOM 0 HA TRP A 67 -2.176 -8.365 -15.269 1.00 0.51 H new ATOM 0 HB2 TRP A 67 -1.979 -5.915 -15.348 1.00 0.50 H new ATOM 0 HB3 TRP A 67 -3.157 -5.749 -14.061 1.00 0.50 H new ATOM 0 HD1 TRP A 67 -1.888 -4.940 -12.024 1.00 0.82 H new ATOM 0 HE1 TRP A 67 0.123 -5.731 -10.626 1.00 1.04 H new ATOM 0 HE3 TRP A 67 -0.090 -8.601 -15.151 1.00 0.90 H new ATOM 0 HZ2 TRP A 67 2.255 -7.625 -10.869 1.00 1.31 H new ATOM 0 HZ3 TRP A 67 1.802 -10.013 -14.415 1.00 1.18 H new ATOM 0 HH2 TRP A 67 3.074 -9.433 -12.371 1.00 1.36 H new ATOM 1147 N VAL A 68 -4.639 -8.088 -13.076 1.00 0.43 N ATOM 1148 CA VAL A 68 -5.226 -8.635 -11.843 1.00 0.45 C ATOM 1149 C VAL A 68 -5.512 -10.132 -11.999 1.00 0.55 C ATOM 1150 O VAL A 68 -5.197 -10.911 -11.099 1.00 0.58 O ATOM 1151 CB VAL A 68 -6.502 -7.859 -11.447 1.00 0.45 C ATOM 1152 CG1 VAL A 68 -7.209 -8.429 -10.214 1.00 0.54 C ATOM 1153 CG2 VAL A 68 -6.169 -6.397 -11.121 1.00 0.41 C ATOM 0 H VAL A 68 -5.229 -7.396 -13.538 1.00 0.43 H new ATOM 0 HA VAL A 68 -4.503 -8.513 -11.037 1.00 0.45 H new ATOM 0 HB VAL A 68 -7.161 -7.948 -12.311 1.00 0.45 H new ATOM 0 HG11 VAL A 68 -8.096 -7.834 -9.995 1.00 0.54 H new ATOM 0 HG12 VAL A 68 -7.503 -9.461 -10.408 1.00 0.54 H new ATOM 0 HG13 VAL A 68 -6.532 -8.399 -9.360 1.00 0.54 H new ATOM 0 HG21 VAL A 68 -7.082 -5.869 -10.845 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -5.463 -6.361 -10.291 1.00 0.41 H new ATOM 0 HG23 VAL A 68 -5.725 -5.921 -11.995 1.00 0.41 H new ATOM 1163 N SER A 69 -6.037 -10.552 -13.154 1.00 0.61 N ATOM 1164 CA SER A 69 -6.239 -11.971 -13.463 1.00 0.72 C ATOM 1165 C SER A 69 -4.903 -12.708 -13.578 1.00 0.77 C ATOM 1166 O SER A 69 -4.725 -13.727 -12.921 1.00 0.86 O ATOM 1167 CB SER A 69 -7.044 -12.142 -14.758 1.00 0.74 C ATOM 1168 OG SER A 69 -7.498 -13.481 -14.908 1.00 0.86 O ATOM 0 H SER A 69 -6.333 -9.921 -13.899 1.00 0.61 H new ATOM 0 HA SER A 69 -6.804 -12.407 -12.639 1.00 0.72 H new ATOM 0 HB2 SER A 69 -7.898 -11.464 -14.751 1.00 0.74 H new ATOM 0 HB3 SER A 69 -6.426 -11.867 -15.613 1.00 0.74 H new ATOM 0 HG SER A 69 -8.009 -13.562 -15.740 1.00 0.86 H new ATOM 1174 N TYR A 70 -3.929 -12.184 -14.332 1.00 0.74 N ATOM 1175 CA TYR A 70 -2.627 -12.831 -14.542 1.00 0.81 C ATOM 1176 C TYR A 70 -1.867 -13.035 -13.220 1.00 0.77 C ATOM 1177 O TYR A 70 -1.334 -14.116 -12.957 1.00 0.87 O ATOM 1178 CB TYR A 70 -1.841 -11.963 -15.535 1.00 0.81 C ATOM 1179 CG TYR A 70 -0.461 -12.415 -15.981 1.00 0.86 C ATOM 1180 CD1 TYR A 70 -0.008 -13.740 -15.819 1.00 2.07 C ATOM 1181 CD2 TYR A 70 0.356 -11.480 -16.641 1.00 1.64 C ATOM 1182 CE1 TYR A 70 1.257 -14.123 -16.307 1.00 2.09 C ATOM 1183 CE2 TYR A 70 1.619 -11.854 -17.134 1.00 1.76 C ATOM 1184 CZ TYR A 70 2.080 -13.179 -16.961 1.00 1.07 C ATOM 1185 OH TYR A 70 3.303 -13.556 -17.428 1.00 1.23 O ATOM 0 H TYR A 70 -4.023 -11.292 -14.818 1.00 0.74 H new ATOM 0 HA TYR A 70 -2.764 -13.833 -14.950 1.00 0.81 H new ATOM 0 HB2 TYR A 70 -2.454 -11.849 -16.429 1.00 0.81 H new ATOM 0 HB3 TYR A 70 -1.735 -10.972 -15.093 1.00 0.81 H new ATOM 0 HD1 TYR A 70 -0.633 -14.465 -15.319 1.00 2.07 H new ATOM 0 HD2 TYR A 70 0.010 -10.465 -16.771 1.00 1.64 H new ATOM 0 HE1 TYR A 70 1.598 -15.140 -16.181 1.00 2.09 H new ATOM 0 HE2 TYR A 70 2.236 -11.129 -17.644 1.00 1.76 H new ATOM 0 HH TYR A 70 3.742 -12.789 -17.853 1.00 1.23 H new ATOM 1195 N TYR A 71 -1.888 -12.028 -12.344 1.00 0.65 N ATOM 1196 CA TYR A 71 -1.264 -12.095 -11.028 1.00 0.59 C ATOM 1197 C TYR A 71 -1.895 -13.195 -10.151 1.00 0.68 C ATOM 1198 O TYR A 71 -1.176 -13.944 -9.489 1.00 0.74 O ATOM 1199 CB TYR A 71 -1.341 -10.707 -10.373 1.00 0.48 C ATOM 1200 CG TYR A 71 -0.662 -10.600 -9.020 1.00 0.70 C ATOM 1201 CD1 TYR A 71 -1.336 -11.028 -7.861 1.00 2.29 C ATOM 1202 CD2 TYR A 71 0.637 -10.068 -8.911 1.00 1.99 C ATOM 1203 CE1 TYR A 71 -0.730 -10.902 -6.599 1.00 2.54 C ATOM 1204 CE2 TYR A 71 1.258 -9.969 -7.652 1.00 2.32 C ATOM 1205 CZ TYR A 71 0.573 -10.375 -6.488 1.00 1.76 C ATOM 1206 OH TYR A 71 1.145 -10.217 -5.264 1.00 2.33 O ATOM 0 H TYR A 71 -2.344 -11.136 -12.534 1.00 0.65 H new ATOM 0 HA TYR A 71 -0.216 -12.373 -11.137 1.00 0.59 H new ATOM 0 HB2 TYR A 71 -0.892 -9.978 -11.047 1.00 0.48 H new ATOM 0 HB3 TYR A 71 -2.390 -10.433 -10.260 1.00 0.48 H new ATOM 0 HD1 TYR A 71 -2.324 -11.456 -7.942 1.00 2.29 H new ATOM 0 HD2 TYR A 71 1.158 -9.735 -9.796 1.00 1.99 H new ATOM 0 HE1 TYR A 71 -1.264 -11.210 -5.712 1.00 2.54 H new ATOM 0 HE2 TYR A 71 2.263 -9.581 -7.577 1.00 2.32 H new ATOM 0 HH TYR A 71 1.854 -9.543 -5.319 1.00 2.33 H new ATOM 1216 N GLN A 72 -3.225 -13.341 -10.169 1.00 0.72 N ATOM 1217 CA GLN A 72 -3.927 -14.422 -9.470 1.00 0.81 C ATOM 1218 C GLN A 72 -3.753 -15.795 -10.137 1.00 0.92 C ATOM 1219 O GLN A 72 -3.646 -16.790 -9.425 1.00 1.05 O ATOM 1220 CB GLN A 72 -5.426 -14.075 -9.360 1.00 0.84 C ATOM 1221 CG GLN A 72 -5.842 -13.734 -7.921 1.00 1.13 C ATOM 1222 CD GLN A 72 -6.176 -14.951 -7.040 1.00 2.18 C ATOM 1223 OE1 GLN A 72 -7.014 -14.877 -6.150 1.00 2.32 O ATOM 1224 NE2 GLN A 72 -5.577 -16.116 -7.223 1.00 3.92 N ATOM 0 H GLN A 72 -3.847 -12.709 -10.672 1.00 0.72 H new ATOM 0 HA GLN A 72 -3.479 -14.503 -8.480 1.00 0.81 H new ATOM 0 HB2 GLN A 72 -5.649 -13.229 -10.010 1.00 0.84 H new ATOM 0 HB3 GLN A 72 -6.019 -14.917 -9.717 1.00 0.84 H new ATOM 0 HG2 GLN A 72 -5.037 -13.171 -7.449 1.00 1.13 H new ATOM 0 HG3 GLN A 72 -6.712 -13.078 -7.955 1.00 1.13 H new ATOM 0 HE21 GLN A 72 -4.873 -16.218 -7.954 1.00 3.92 H new ATOM 0 HE22 GLN A 72 -5.819 -16.912 -6.633 1.00 3.92 H new ATOM 1233 N ALA A 73 -3.742 -15.861 -11.471 1.00 0.92 N ATOM 1234 CA ALA A 73 -3.797 -17.095 -12.256 1.00 1.05 C ATOM 1235 C ALA A 73 -2.521 -17.942 -12.138 1.00 1.16 C ATOM 1236 O ALA A 73 -2.602 -19.171 -12.093 1.00 1.29 O ATOM 1237 CB ALA A 73 -4.080 -16.707 -13.717 1.00 1.01 C ATOM 0 H ALA A 73 -3.693 -15.026 -12.054 1.00 0.92 H new ATOM 0 HA ALA A 73 -4.593 -17.728 -11.864 1.00 1.05 H new ATOM 0 HB1 ALA A 73 -4.127 -17.607 -14.330 1.00 1.01 H new ATOM 0 HB2 ALA A 73 -5.031 -16.178 -13.775 1.00 1.01 H new ATOM 0 HB3 ALA A 73 -3.282 -16.060 -14.083 1.00 1.01 H new ATOM 1243 N LYS A 74 -1.349 -17.297 -12.062 1.00 1.14 N ATOM 1244 CA LYS A 74 -0.063 -17.962 -11.781 1.00 1.32 C ATOM 1245 C LYS A 74 0.371 -17.831 -10.305 1.00 1.25 C ATOM 1246 O LYS A 74 1.457 -18.286 -9.938 1.00 1.33 O ATOM 1247 CB LYS A 74 1.031 -17.432 -12.727 1.00 1.39 C ATOM 1248 CG LYS A 74 0.672 -17.309 -14.202 1.00 1.47 C ATOM 1249 CD LYS A 74 0.103 -18.589 -14.813 1.00 1.82 C ATOM 1250 CE LYS A 74 0.116 -18.338 -16.315 1.00 2.27 C ATOM 1251 NZ LYS A 74 -0.585 -19.406 -17.075 1.00 2.92 N ATOM 0 H LYS A 74 -1.263 -16.289 -12.195 1.00 1.14 H new ATOM 0 HA LYS A 74 -0.207 -19.027 -11.964 1.00 1.32 H new ATOM 0 HB2 LYS A 74 1.339 -16.449 -12.371 1.00 1.39 H new ATOM 0 HB3 LYS A 74 1.898 -18.088 -12.643 1.00 1.39 H new ATOM 0 HG2 LYS A 74 -0.056 -16.507 -14.322 1.00 1.47 H new ATOM 0 HG3 LYS A 74 1.563 -17.018 -14.759 1.00 1.47 H new ATOM 0 HD2 LYS A 74 0.709 -19.456 -14.551 1.00 1.82 H new ATOM 0 HD3 LYS A 74 -0.907 -18.785 -14.453 1.00 1.82 H new ATOM 0 HE2 LYS A 74 -0.356 -17.378 -16.524 1.00 2.27 H new ATOM 0 HE3 LYS A 74 1.148 -18.268 -16.660 1.00 2.27 H new ATOM 0 HZ1 LYS A 74 -0.549 -19.190 -18.092 1.00 2.92 H new ATOM 0 HZ2 LYS A 74 -0.120 -20.320 -16.899 1.00 2.92 H new ATOM 0 HZ3 LYS A 74 -1.577 -19.457 -16.767 1.00 2.92 H new ATOM 1265 N ASN A 75 -0.452 -17.189 -9.465 1.00 1.11 N ATOM 1266 CA ASN A 75 -0.237 -16.994 -8.027 1.00 1.05 C ATOM 1267 C ASN A 75 1.058 -16.202 -7.732 1.00 0.85 C ATOM 1268 O ASN A 75 1.900 -16.626 -6.936 1.00 0.83 O ATOM 1269 CB ASN A 75 -0.317 -18.336 -7.273 1.00 1.33 C ATOM 1270 CG ASN A 75 -1.584 -19.128 -7.589 1.00 1.51 C ATOM 1271 OD1 ASN A 75 -1.587 -20.018 -8.432 1.00 1.77 O ATOM 1272 ND2 ASN A 75 -2.691 -18.832 -6.929 1.00 2.28 N ATOM 0 H ASN A 75 -1.326 -16.773 -9.786 1.00 1.11 H new ATOM 0 HA ASN A 75 -1.047 -16.371 -7.646 1.00 1.05 H new ATOM 0 HB2 ASN A 75 0.554 -18.940 -7.526 1.00 1.33 H new ATOM 0 HB3 ASN A 75 -0.273 -18.146 -6.201 1.00 1.33 H new ATOM 0 HD21 ASN A 75 -3.552 -19.345 -7.121 1.00 2.28 H new ATOM 0 HD22 ASN A 75 -2.684 -18.091 -6.228 1.00 2.28 H new ATOM 1279 N PHE A 76 1.221 -15.031 -8.364 1.00 0.73 N ATOM 1280 CA PHE A 76 2.394 -14.155 -8.219 1.00 0.62 C ATOM 1281 C PHE A 76 2.603 -13.646 -6.780 1.00 0.50 C ATOM 1282 O PHE A 76 3.707 -13.205 -6.463 1.00 0.47 O ATOM 1283 CB PHE A 76 2.294 -12.986 -9.208 1.00 0.59 C ATOM 1284 CG PHE A 76 2.848 -13.263 -10.593 1.00 0.68 C ATOM 1285 CD1 PHE A 76 2.034 -13.831 -11.589 1.00 1.91 C ATOM 1286 CD2 PHE A 76 4.178 -12.914 -10.901 1.00 1.34 C ATOM 1287 CE1 PHE A 76 2.529 -14.000 -12.893 1.00 2.00 C ATOM 1288 CE2 PHE A 76 4.672 -13.077 -12.209 1.00 1.34 C ATOM 1289 CZ PHE A 76 3.844 -13.616 -13.208 1.00 0.89 C ATOM 0 H PHE A 76 0.523 -14.657 -9.007 1.00 0.73 H new ATOM 0 HA PHE A 76 3.273 -14.756 -8.450 1.00 0.62 H new ATOM 0 HB2 PHE A 76 1.246 -12.700 -9.304 1.00 0.59 H new ATOM 0 HB3 PHE A 76 2.821 -12.129 -8.788 1.00 0.59 H new ATOM 0 HD1 PHE A 76 1.026 -14.138 -11.351 1.00 1.91 H new ATOM 0 HD2 PHE A 76 4.822 -12.519 -10.129 1.00 1.34 H new ATOM 0 HE1 PHE A 76 1.896 -14.427 -13.657 1.00 2.00 H new ATOM 0 HE2 PHE A 76 5.686 -12.788 -12.444 1.00 1.34 H new ATOM 0 HZ PHE A 76 4.217 -13.735 -14.215 1.00 0.89 H new ATOM 1299 N LEU A 77 1.619 -13.801 -5.877 1.00 0.51 N ATOM 1300 CA LEU A 77 1.811 -13.649 -4.427 1.00 0.50 C ATOM 1301 C LEU A 77 3.019 -14.452 -3.901 1.00 0.49 C ATOM 1302 O LEU A 77 3.658 -14.037 -2.936 1.00 0.54 O ATOM 1303 CB LEU A 77 0.549 -14.083 -3.645 1.00 0.59 C ATOM 1304 CG LEU A 77 -0.690 -13.174 -3.770 1.00 0.66 C ATOM 1305 CD1 LEU A 77 -1.649 -13.643 -4.877 1.00 1.38 C ATOM 1306 CD2 LEU A 77 -1.488 -13.140 -2.459 1.00 1.00 C ATOM 0 H LEU A 77 0.661 -14.037 -6.137 1.00 0.51 H new ATOM 0 HA LEU A 77 2.003 -12.589 -4.263 1.00 0.50 H new ATOM 0 HB2 LEU A 77 0.271 -15.084 -3.976 1.00 0.59 H new ATOM 0 HB3 LEU A 77 0.811 -14.157 -2.590 1.00 0.59 H new ATOM 0 HG LEU A 77 -0.304 -12.184 -4.014 1.00 0.66 H new ATOM 0 HD11 LEU A 77 -2.505 -12.971 -4.925 1.00 1.38 H new ATOM 0 HD12 LEU A 77 -1.129 -13.638 -5.835 1.00 1.38 H new ATOM 0 HD13 LEU A 77 -1.993 -14.653 -4.656 1.00 1.38 H new ATOM 0 HD21 LEU A 77 -2.356 -12.491 -2.578 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -1.820 -14.148 -2.209 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -0.856 -12.757 -1.658 1.00 1.00 H new ATOM 1318 N ALA A 78 3.359 -15.579 -4.540 1.00 0.55 N ATOM 1319 CA ALA A 78 4.500 -16.419 -4.180 1.00 0.58 C ATOM 1320 C ALA A 78 5.870 -15.770 -4.464 1.00 0.54 C ATOM 1321 O ALA A 78 6.864 -16.174 -3.859 1.00 0.57 O ATOM 1322 CB ALA A 78 4.358 -17.738 -4.951 1.00 0.69 C ATOM 0 H ALA A 78 2.835 -15.937 -5.338 1.00 0.55 H new ATOM 0 HA ALA A 78 4.482 -16.576 -3.102 1.00 0.58 H new ATOM 0 HB1 ALA A 78 5.194 -18.394 -4.708 1.00 0.69 H new ATOM 0 HB2 ALA A 78 3.423 -18.224 -4.672 1.00 0.69 H new ATOM 0 HB3 ALA A 78 4.356 -17.535 -6.022 1.00 0.69 H new ATOM 1328 N ILE A 79 5.940 -14.793 -5.382 1.00 0.51 N ATOM 1329 CA ILE A 79 7.203 -14.181 -5.850 1.00 0.53 C ATOM 1330 C ILE A 79 7.262 -12.657 -5.649 1.00 0.49 C ATOM 1331 O ILE A 79 8.334 -12.068 -5.771 1.00 0.53 O ATOM 1332 CB ILE A 79 7.529 -14.610 -7.308 1.00 0.60 C ATOM 1333 CG1 ILE A 79 6.753 -13.890 -8.435 1.00 0.58 C ATOM 1334 CG2 ILE A 79 7.314 -16.123 -7.500 1.00 0.71 C ATOM 1335 CD1 ILE A 79 7.443 -12.615 -8.925 1.00 0.59 C ATOM 0 H ILE A 79 5.113 -14.398 -5.829 1.00 0.51 H new ATOM 0 HA ILE A 79 7.993 -14.574 -5.210 1.00 0.53 H new ATOM 0 HB ILE A 79 8.573 -14.315 -7.412 1.00 0.60 H new ATOM 0 HG12 ILE A 79 6.628 -14.573 -9.275 1.00 0.58 H new ATOM 0 HG13 ILE A 79 5.754 -13.640 -8.077 1.00 0.58 H new ATOM 0 HG21 ILE A 79 7.549 -16.396 -8.529 1.00 0.71 H new ATOM 0 HG22 ILE A 79 7.966 -16.672 -6.821 1.00 0.71 H new ATOM 0 HG23 ILE A 79 6.275 -16.373 -7.287 1.00 0.71 H new ATOM 0 HD11 ILE A 79 6.846 -12.159 -9.715 1.00 0.59 H new ATOM 0 HD12 ILE A 79 7.544 -11.914 -8.096 1.00 0.59 H new ATOM 0 HD13 ILE A 79 8.431 -12.862 -9.313 1.00 0.59 H new ATOM 1347 N ASP A 80 6.142 -12.015 -5.305 1.00 0.46 N ATOM 1348 CA ASP A 80 6.046 -10.581 -5.033 1.00 0.46 C ATOM 1349 C ASP A 80 6.527 -10.252 -3.600 1.00 0.47 C ATOM 1350 O ASP A 80 5.965 -10.785 -2.635 1.00 0.56 O ATOM 1351 CB ASP A 80 4.589 -10.141 -5.246 1.00 0.55 C ATOM 1352 CG ASP A 80 4.355 -8.631 -5.083 1.00 0.93 C ATOM 1353 OD1 ASP A 80 5.231 -7.920 -4.536 1.00 1.96 O ATOM 1354 OD2 ASP A 80 3.261 -8.183 -5.491 1.00 2.19 O ATOM 0 H ASP A 80 5.248 -12.497 -5.205 1.00 0.46 H new ATOM 0 HA ASP A 80 6.695 -10.034 -5.717 1.00 0.46 H new ATOM 0 HB2 ASP A 80 4.274 -10.440 -6.246 1.00 0.55 H new ATOM 0 HB3 ASP A 80 3.954 -10.674 -4.539 1.00 0.55 H new ATOM 1359 N PRO A 81 7.522 -9.358 -3.429 1.00 0.48 N ATOM 1360 CA PRO A 81 8.035 -8.988 -2.118 1.00 0.54 C ATOM 1361 C PRO A 81 7.160 -7.979 -1.351 1.00 0.53 C ATOM 1362 O PRO A 81 7.364 -7.870 -0.143 1.00 0.58 O ATOM 1363 CB PRO A 81 9.438 -8.443 -2.394 1.00 0.61 C ATOM 1364 CG PRO A 81 9.296 -7.798 -3.769 1.00 0.61 C ATOM 1365 CD PRO A 81 8.328 -8.741 -4.477 1.00 0.58 C ATOM 0 HA PRO A 81 8.039 -9.852 -1.453 1.00 0.54 H new ATOM 0 HB2 PRO A 81 9.745 -7.719 -1.639 1.00 0.61 H new ATOM 0 HB3 PRO A 81 10.185 -9.237 -2.397 1.00 0.61 H new ATOM 0 HG2 PRO A 81 8.900 -6.785 -3.703 1.00 0.61 H new ATOM 0 HG3 PRO A 81 10.252 -7.734 -4.288 1.00 0.61 H new ATOM 0 HD2 PRO A 81 7.700 -8.197 -5.182 1.00 0.58 H new ATOM 0 HD3 PRO A 81 8.868 -9.496 -5.048 1.00 0.58 H new ATOM 1373 N VAL A 82 6.191 -7.268 -1.964 1.00 0.51 N ATOM 1374 CA VAL A 82 5.411 -6.215 -1.257 1.00 0.53 C ATOM 1375 C VAL A 82 4.415 -6.760 -0.213 1.00 0.57 C ATOM 1376 O VAL A 82 3.710 -5.979 0.425 1.00 0.75 O ATOM 1377 CB VAL A 82 4.700 -5.194 -2.189 1.00 0.62 C ATOM 1378 CG1 VAL A 82 5.649 -4.638 -3.263 1.00 2.00 C ATOM 1379 CG2 VAL A 82 3.379 -5.699 -2.798 1.00 1.78 C ATOM 0 H VAL A 82 5.927 -7.398 -2.941 1.00 0.51 H new ATOM 0 HA VAL A 82 6.190 -5.672 -0.722 1.00 0.53 H new ATOM 0 HB VAL A 82 4.413 -4.370 -1.535 1.00 0.62 H new ATOM 0 HG11 VAL A 82 5.111 -3.929 -3.892 1.00 2.00 H new ATOM 0 HG12 VAL A 82 6.487 -4.134 -2.782 1.00 2.00 H new ATOM 0 HG13 VAL A 82 6.023 -5.457 -3.878 1.00 2.00 H new ATOM 0 HG21 VAL A 82 2.952 -4.924 -3.434 1.00 1.78 H new ATOM 0 HG22 VAL A 82 3.571 -6.592 -3.393 1.00 1.78 H new ATOM 0 HG23 VAL A 82 2.678 -5.940 -1.998 1.00 1.78 H new ATOM 1389 N LEU A 83 4.356 -8.086 -0.025 1.00 0.55 N ATOM 1390 CA LEU A 83 3.555 -8.753 1.009 1.00 0.63 C ATOM 1391 C LEU A 83 4.370 -9.563 2.029 1.00 0.67 C ATOM 1392 O LEU A 83 3.809 -10.004 3.032 1.00 0.79 O ATOM 1393 CB LEU A 83 2.453 -9.581 0.314 1.00 0.67 C ATOM 1394 CG LEU A 83 2.904 -10.774 -0.562 1.00 0.65 C ATOM 1395 CD1 LEU A 83 3.226 -12.042 0.249 1.00 0.84 C ATOM 1396 CD2 LEU A 83 1.774 -11.106 -1.542 1.00 0.75 C ATOM 0 H LEU A 83 4.879 -8.742 -0.605 1.00 0.55 H new ATOM 0 HA LEU A 83 3.097 -7.983 1.629 1.00 0.63 H new ATOM 0 HB2 LEU A 83 1.783 -9.963 1.084 1.00 0.67 H new ATOM 0 HB3 LEU A 83 1.868 -8.906 -0.311 1.00 0.67 H new ATOM 0 HG LEU A 83 3.821 -10.473 -1.069 1.00 0.65 H new ATOM 0 HD11 LEU A 83 3.535 -12.838 -0.428 1.00 0.84 H new ATOM 0 HD12 LEU A 83 4.032 -11.830 0.952 1.00 0.84 H new ATOM 0 HD13 LEU A 83 2.339 -12.357 0.799 1.00 0.84 H new ATOM 0 HD21 LEU A 83 2.072 -11.946 -2.170 1.00 0.75 H new ATOM 0 HD22 LEU A 83 0.875 -11.371 -0.985 1.00 0.75 H new ATOM 0 HD23 LEU A 83 1.570 -10.238 -2.169 1.00 0.75 H new ATOM 1408 N ASN A 84 5.669 -9.784 1.791 1.00 0.67 N ATOM 1409 CA ASN A 84 6.482 -10.726 2.568 1.00 0.77 C ATOM 1410 C ASN A 84 7.352 -9.990 3.615 1.00 0.73 C ATOM 1411 O ASN A 84 8.308 -9.315 3.216 1.00 0.77 O ATOM 1412 CB ASN A 84 7.319 -11.567 1.591 1.00 0.98 C ATOM 1413 CG ASN A 84 7.780 -12.864 2.251 1.00 1.42 C ATOM 1414 OD1 ASN A 84 6.971 -13.715 2.606 1.00 2.16 O ATOM 1415 ND2 ASN A 84 9.070 -13.044 2.461 1.00 1.79 N ATOM 0 H ASN A 84 6.187 -9.312 1.050 1.00 0.67 H new ATOM 0 HA ASN A 84 5.836 -11.393 3.139 1.00 0.77 H new ATOM 0 HB2 ASN A 84 6.730 -11.795 0.703 1.00 0.98 H new ATOM 0 HB3 ASN A 84 8.185 -10.994 1.260 1.00 0.98 H new ATOM 0 HD21 ASN A 84 9.398 -13.894 2.920 1.00 1.79 H new ATOM 0 HD22 ASN A 84 9.739 -12.334 2.164 1.00 1.79 H new ATOM 1422 N PRO A 85 7.046 -10.080 4.930 1.00 0.72 N ATOM 1423 CA PRO A 85 7.556 -9.149 5.943 1.00 0.68 C ATOM 1424 C PRO A 85 9.080 -9.178 6.142 1.00 0.69 C ATOM 1425 O PRO A 85 9.642 -8.183 6.596 1.00 0.70 O ATOM 1426 CB PRO A 85 6.795 -9.475 7.234 1.00 0.70 C ATOM 1427 CG PRO A 85 6.314 -10.908 7.039 1.00 0.79 C ATOM 1428 CD PRO A 85 6.067 -10.974 5.534 1.00 0.79 C ATOM 0 HA PRO A 85 7.382 -8.126 5.611 1.00 0.68 H new ATOM 0 HB2 PRO A 85 7.440 -9.388 8.108 1.00 0.70 H new ATOM 0 HB3 PRO A 85 5.959 -8.792 7.386 1.00 0.70 H new ATOM 0 HG2 PRO A 85 7.062 -11.634 7.359 1.00 0.79 H new ATOM 0 HG3 PRO A 85 5.407 -11.112 7.608 1.00 0.79 H new ATOM 0 HD2 PRO A 85 6.186 -11.992 5.163 1.00 0.79 H new ATOM 0 HD3 PRO A 85 5.051 -10.663 5.291 1.00 0.79 H new ATOM 1436 N GLU A 86 9.764 -10.266 5.769 1.00 0.75 N ATOM 1437 CA GLU A 86 11.226 -10.397 5.860 1.00 0.83 C ATOM 1438 C GLU A 86 11.997 -9.362 5.016 1.00 0.79 C ATOM 1439 O GLU A 86 13.119 -8.994 5.372 1.00 0.87 O ATOM 1440 CB GLU A 86 11.675 -11.799 5.427 1.00 0.94 C ATOM 1441 CG GLU A 86 11.063 -12.920 6.274 1.00 1.14 C ATOM 1442 CD GLU A 86 9.843 -13.534 5.576 1.00 2.02 C ATOM 1443 OE1 GLU A 86 8.758 -12.913 5.631 1.00 3.08 O ATOM 1444 OE2 GLU A 86 9.977 -14.603 4.935 1.00 2.72 O ATOM 0 H GLU A 86 9.310 -11.096 5.388 1.00 0.75 H new ATOM 0 HA GLU A 86 11.463 -10.217 6.908 1.00 0.83 H new ATOM 0 HB2 GLU A 86 11.404 -11.953 4.382 1.00 0.94 H new ATOM 0 HB3 GLU A 86 12.762 -11.860 5.487 1.00 0.94 H new ATOM 0 HG2 GLU A 86 11.810 -13.693 6.455 1.00 1.14 H new ATOM 0 HG3 GLU A 86 10.770 -12.526 7.247 1.00 1.14 H new ATOM 1451 N ASN A 87 11.423 -8.889 3.901 1.00 0.70 N ATOM 1452 CA ASN A 87 12.096 -7.962 2.977 1.00 0.70 C ATOM 1453 C ASN A 87 12.085 -6.499 3.485 1.00 0.67 C ATOM 1454 O ASN A 87 12.935 -5.689 3.107 1.00 0.73 O ATOM 1455 CB ASN A 87 11.447 -8.101 1.585 1.00 0.70 C ATOM 1456 CG ASN A 87 12.449 -7.909 0.443 1.00 1.00 C ATOM 1457 OD1 ASN A 87 13.284 -7.014 0.441 1.00 2.25 O ATOM 1458 ND2 ASN A 87 12.419 -8.770 -0.559 1.00 1.71 N ATOM 0 H ASN A 87 10.477 -9.138 3.613 1.00 0.70 H new ATOM 0 HA ASN A 87 13.151 -8.230 2.914 1.00 0.70 H new ATOM 0 HB2 ASN A 87 10.989 -9.086 1.499 1.00 0.70 H new ATOM 0 HB3 ASN A 87 10.646 -7.368 1.487 1.00 0.70 H new ATOM 0 HD21 ASN A 87 13.088 -8.685 -1.325 1.00 1.71 H new ATOM 0 HD22 ASN A 87 11.727 -9.519 -0.567 1.00 1.71 H new ATOM 1465 N PHE A 88 11.142 -6.162 4.374 1.00 0.63 N ATOM 1466 CA PHE A 88 10.918 -4.825 4.933 1.00 0.64 C ATOM 1467 C PHE A 88 11.938 -4.506 6.039 1.00 0.69 C ATOM 1468 O PHE A 88 11.615 -4.449 7.225 1.00 0.75 O ATOM 1469 CB PHE A 88 9.468 -4.731 5.431 1.00 0.62 C ATOM 1470 CG PHE A 88 8.427 -4.842 4.338 1.00 0.60 C ATOM 1471 CD1 PHE A 88 8.031 -6.103 3.850 1.00 1.98 C ATOM 1472 CD2 PHE A 88 7.852 -3.676 3.808 1.00 1.55 C ATOM 1473 CE1 PHE A 88 7.046 -6.201 2.852 1.00 2.01 C ATOM 1474 CE2 PHE A 88 6.847 -3.774 2.834 1.00 1.52 C ATOM 1475 CZ PHE A 88 6.447 -5.031 2.355 1.00 0.62 C ATOM 0 H PHE A 88 10.483 -6.849 4.740 1.00 0.63 H new ATOM 0 HA PHE A 88 11.068 -4.073 4.159 1.00 0.64 H new ATOM 0 HB2 PHE A 88 9.295 -5.520 6.163 1.00 0.62 H new ATOM 0 HB3 PHE A 88 9.335 -3.781 5.949 1.00 0.62 H new ATOM 0 HD1 PHE A 88 8.487 -6.999 4.245 1.00 1.98 H new ATOM 0 HD2 PHE A 88 8.182 -2.706 4.149 1.00 1.55 H new ATOM 0 HE1 PHE A 88 6.752 -7.168 2.470 1.00 2.01 H new ATOM 0 HE2 PHE A 88 6.379 -2.879 2.451 1.00 1.52 H new ATOM 0 HZ PHE A 88 5.676 -5.099 1.602 1.00 0.62 H new ATOM 1485 N SER A 89 13.195 -4.296 5.650 1.00 0.68 N ATOM 1486 CA SER A 89 14.344 -4.281 6.578 1.00 0.74 C ATOM 1487 C SER A 89 14.388 -3.037 7.488 1.00 0.77 C ATOM 1488 O SER A 89 15.034 -3.058 8.538 1.00 0.85 O ATOM 1489 CB SER A 89 15.655 -4.401 5.783 1.00 0.77 C ATOM 1490 OG SER A 89 15.762 -5.659 5.124 1.00 0.79 O ATOM 0 H SER A 89 13.455 -4.130 4.678 1.00 0.68 H new ATOM 0 HA SER A 89 14.221 -5.138 7.240 1.00 0.74 H new ATOM 0 HB2 SER A 89 15.708 -3.599 5.046 1.00 0.77 H new ATOM 0 HB3 SER A 89 16.502 -4.271 6.457 1.00 0.77 H new ATOM 0 HG SER A 89 16.606 -5.698 4.628 1.00 0.79 H new ATOM 1496 N GLN A 90 13.670 -1.969 7.120 1.00 0.74 N ATOM 1497 CA GLN A 90 13.419 -0.781 7.950 1.00 0.80 C ATOM 1498 C GLN A 90 11.913 -0.424 7.985 1.00 0.75 C ATOM 1499 O GLN A 90 11.548 0.738 8.172 1.00 0.76 O ATOM 1500 CB GLN A 90 14.289 0.394 7.452 1.00 0.86 C ATOM 1501 CG GLN A 90 15.800 0.118 7.581 1.00 0.93 C ATOM 1502 CD GLN A 90 16.686 1.332 7.274 1.00 1.44 C ATOM 1503 OE1 GLN A 90 16.243 2.416 6.911 1.00 2.37 O ATOM 1504 NE2 GLN A 90 17.991 1.198 7.413 1.00 2.22 N ATOM 0 H GLN A 90 13.231 -1.905 6.202 1.00 0.74 H new ATOM 0 HA GLN A 90 13.703 -1.000 8.979 1.00 0.80 H new ATOM 0 HB2 GLN A 90 14.050 0.600 6.409 1.00 0.86 H new ATOM 0 HB3 GLN A 90 14.039 1.291 8.019 1.00 0.86 H new ATOM 0 HG2 GLN A 90 16.011 -0.225 8.594 1.00 0.93 H new ATOM 0 HG3 GLN A 90 16.069 -0.695 6.906 1.00 0.93 H new ATOM 0 HE21 GLN A 90 18.383 0.306 7.714 1.00 2.22 H new ATOM 0 HE22 GLN A 90 18.608 1.987 7.220 1.00 2.22 H new ATOM 1513 N GLY A 91 11.022 -1.405 7.759 1.00 0.70 N ATOM 1514 CA GLY A 91 9.564 -1.194 7.699 1.00 0.69 C ATOM 1515 C GLY A 91 9.080 -0.537 6.399 1.00 0.59 C ATOM 1516 O GLY A 91 7.939 -0.084 6.325 1.00 0.62 O ATOM 0 H GLY A 91 11.296 -2.376 7.611 1.00 0.70 H new ATOM 0 HA2 GLY A 91 9.063 -2.155 7.816 1.00 0.69 H new ATOM 0 HA3 GLY A 91 9.262 -0.572 8.542 1.00 0.69 H new ATOM 1520 N HIS A 92 9.942 -0.474 5.384 1.00 0.52 N ATOM 1521 CA HIS A 92 9.716 0.177 4.091 1.00 0.52 C ATOM 1522 C HIS A 92 10.144 -0.748 2.935 1.00 0.55 C ATOM 1523 O HIS A 92 10.975 -1.643 3.131 1.00 0.70 O ATOM 1524 CB HIS A 92 10.521 1.491 4.056 1.00 0.73 C ATOM 1525 CG HIS A 92 10.359 2.256 2.762 1.00 0.75 C ATOM 1526 ND1 HIS A 92 9.172 2.740 2.271 1.00 0.70 N ATOM 1527 CD2 HIS A 92 11.302 2.462 1.788 1.00 0.87 C ATOM 1528 CE1 HIS A 92 9.381 3.196 1.028 1.00 0.74 C ATOM 1529 NE2 HIS A 92 10.675 3.073 0.696 1.00 0.86 N ATOM 0 H HIS A 92 10.867 -0.899 5.444 1.00 0.52 H new ATOM 0 HA HIS A 92 8.654 0.391 3.969 1.00 0.52 H new ATOM 0 HB2 HIS A 92 10.207 2.124 4.886 1.00 0.73 H new ATOM 0 HB3 HIS A 92 11.577 1.267 4.208 1.00 0.73 H new ATOM 0 HD1 HIS A 92 8.281 2.751 2.768 1.00 0.70 H new ATOM 0 HD2 HIS A 92 12.347 2.198 1.852 1.00 0.87 H new ATOM 0 HE1 HIS A 92 8.616 3.605 0.385 1.00 0.74 H new ATOM 1537 N LEU A 93 9.619 -0.504 1.728 1.00 0.50 N ATOM 1538 CA LEU A 93 10.046 -1.163 0.495 1.00 0.52 C ATOM 1539 C LEU A 93 9.949 -0.183 -0.689 1.00 0.49 C ATOM 1540 O LEU A 93 8.989 0.582 -0.792 1.00 0.49 O ATOM 1541 CB LEU A 93 9.197 -2.436 0.288 1.00 0.56 C ATOM 1542 CG LEU A 93 9.960 -3.627 -0.307 1.00 0.61 C ATOM 1543 CD1 LEU A 93 10.985 -4.198 0.684 1.00 1.31 C ATOM 1544 CD2 LEU A 93 8.974 -4.742 -0.667 1.00 1.55 C ATOM 0 H LEU A 93 8.870 0.172 1.582 1.00 0.50 H new ATOM 0 HA LEU A 93 11.091 -1.466 0.564 1.00 0.52 H new ATOM 0 HB2 LEU A 93 8.776 -2.735 1.248 1.00 0.56 H new ATOM 0 HB3 LEU A 93 8.359 -2.195 -0.367 1.00 0.56 H new ATOM 0 HG LEU A 93 10.485 -3.268 -1.192 1.00 0.61 H new ATOM 0 HD11 LEU A 93 11.504 -5.040 0.226 1.00 1.31 H new ATOM 0 HD12 LEU A 93 11.707 -3.425 0.946 1.00 1.31 H new ATOM 0 HD13 LEU A 93 10.472 -4.535 1.584 1.00 1.31 H new ATOM 0 HD21 LEU A 93 9.518 -5.587 -1.089 1.00 1.55 H new ATOM 0 HD22 LEU A 93 8.445 -5.063 0.230 1.00 1.55 H new ATOM 0 HD23 LEU A 93 8.256 -4.371 -1.398 1.00 1.55 H new ATOM 1556 N MET A 94 10.938 -0.200 -1.589 1.00 0.48 N ATOM 1557 CA MET A 94 11.071 0.785 -2.674 1.00 0.45 C ATOM 1558 C MET A 94 11.403 0.103 -4.005 1.00 0.53 C ATOM 1559 O MET A 94 12.230 -0.811 -4.044 1.00 0.71 O ATOM 1560 CB MET A 94 12.155 1.809 -2.296 1.00 0.62 C ATOM 1561 CG MET A 94 11.791 3.205 -2.801 1.00 1.19 C ATOM 1562 SD MET A 94 13.163 4.381 -2.708 1.00 1.32 S ATOM 1563 CE MET A 94 12.653 5.288 -1.232 1.00 0.60 C ATOM 0 H MET A 94 11.677 -0.903 -1.587 1.00 0.48 H new ATOM 0 HA MET A 94 10.119 1.299 -2.805 1.00 0.45 H new ATOM 0 HB2 MET A 94 12.278 1.831 -1.213 1.00 0.62 H new ATOM 0 HB3 MET A 94 13.112 1.504 -2.719 1.00 0.62 H new ATOM 0 HG2 MET A 94 11.453 3.133 -3.835 1.00 1.19 H new ATOM 0 HG3 MET A 94 10.954 3.588 -2.218 1.00 1.19 H new ATOM 0 HE1 MET A 94 13.355 6.100 -1.043 1.00 0.60 H new ATOM 0 HE2 MET A 94 11.655 5.700 -1.384 1.00 0.60 H new ATOM 0 HE3 MET A 94 12.640 4.613 -0.376 1.00 0.60 H new ATOM 1573 N TRP A 95 10.745 0.516 -5.093 1.00 0.48 N ATOM 1574 CA TRP A 95 10.794 -0.210 -6.365 1.00 0.46 C ATOM 1575 C TRP A 95 12.024 0.208 -7.195 1.00 0.49 C ATOM 1576 O TRP A 95 12.111 1.335 -7.687 1.00 0.51 O ATOM 1577 CB TRP A 95 9.488 -0.004 -7.161 1.00 0.42 C ATOM 1578 CG TRP A 95 8.161 -0.414 -6.566 1.00 0.44 C ATOM 1579 CD1 TRP A 95 7.873 -0.633 -5.260 1.00 0.50 C ATOM 1580 CD2 TRP A 95 6.885 -0.585 -7.269 1.00 0.49 C ATOM 1581 NE1 TRP A 95 6.523 -0.871 -5.103 1.00 0.56 N ATOM 1582 CE2 TRP A 95 5.856 -0.813 -6.306 1.00 0.57 C ATOM 1583 CE3 TRP A 95 6.485 -0.516 -8.624 1.00 0.55 C ATOM 1584 CZ2 TRP A 95 4.501 -0.913 -6.659 1.00 0.71 C ATOM 1585 CZ3 TRP A 95 5.127 -0.608 -8.990 1.00 0.72 C ATOM 1586 CH2 TRP A 95 4.136 -0.798 -8.011 1.00 0.79 C ATOM 0 H TRP A 95 10.168 1.357 -5.117 1.00 0.48 H new ATOM 0 HA TRP A 95 10.891 -1.273 -6.145 1.00 0.46 H new ATOM 0 HB2 TRP A 95 9.420 1.057 -7.401 1.00 0.42 H new ATOM 0 HB3 TRP A 95 9.597 -0.538 -8.105 1.00 0.42 H new ATOM 0 HD1 TRP A 95 8.596 -0.623 -4.458 1.00 0.50 H new ATOM 0 HE1 TRP A 95 6.075 -1.066 -4.207 1.00 0.56 H new ATOM 0 HE3 TRP A 95 7.234 -0.391 -9.392 1.00 0.55 H new ATOM 0 HZ2 TRP A 95 3.749 -1.076 -5.901 1.00 0.71 H new ATOM 0 HZ3 TRP A 95 4.846 -0.532 -10.030 1.00 0.72 H new ATOM 0 HH2 TRP A 95 3.096 -0.855 -8.298 1.00 0.79 H new ATOM 1597 N ASN A 96 12.954 -0.732 -7.380 1.00 0.53 N ATOM 1598 CA ASN A 96 14.170 -0.606 -8.193 1.00 0.54 C ATOM 1599 C ASN A 96 14.368 -1.872 -9.046 1.00 0.49 C ATOM 1600 O ASN A 96 13.851 -2.938 -8.706 1.00 0.50 O ATOM 1601 CB ASN A 96 15.382 -0.370 -7.272 1.00 0.66 C ATOM 1602 CG ASN A 96 15.405 1.042 -6.691 1.00 1.16 C ATOM 1603 OD1 ASN A 96 14.842 1.317 -5.638 1.00 2.36 O ATOM 1604 ND2 ASN A 96 16.060 1.978 -7.359 1.00 1.84 N ATOM 0 H ASN A 96 12.877 -1.651 -6.944 1.00 0.53 H new ATOM 0 HA ASN A 96 14.072 0.245 -8.867 1.00 0.54 H new ATOM 0 HB2 ASN A 96 15.363 -1.095 -6.458 1.00 0.66 H new ATOM 0 HB3 ASN A 96 16.300 -0.544 -7.833 1.00 0.66 H new ATOM 0 HD21 ASN A 96 16.097 2.931 -6.998 1.00 1.84 H new ATOM 0 HD22 ASN A 96 16.528 1.746 -8.235 1.00 1.84 H new ATOM 1611 N ASP A 97 15.148 -1.785 -10.128 1.00 0.50 N ATOM 1612 CA ASP A 97 15.424 -2.935 -11.009 1.00 0.45 C ATOM 1613 C ASP A 97 16.125 -4.084 -10.260 1.00 0.44 C ATOM 1614 O ASP A 97 15.908 -5.250 -10.574 1.00 0.47 O ATOM 1615 CB ASP A 97 16.280 -2.499 -12.207 1.00 0.49 C ATOM 1616 CG ASP A 97 15.662 -1.330 -12.983 1.00 1.04 C ATOM 1617 OD1 ASP A 97 14.606 -1.511 -13.631 1.00 1.93 O ATOM 1618 OD2 ASP A 97 16.210 -0.207 -12.901 1.00 2.02 O ATOM 0 H ASP A 97 15.606 -0.922 -10.421 1.00 0.50 H new ATOM 0 HA ASP A 97 14.462 -3.305 -11.363 1.00 0.45 H new ATOM 0 HB2 ASP A 97 17.271 -2.212 -11.855 1.00 0.49 H new ATOM 0 HB3 ASP A 97 16.414 -3.346 -12.880 1.00 0.49 H new ATOM 1623 N ASP A 98 16.929 -3.747 -9.246 1.00 0.47 N ATOM 1624 CA ASP A 98 17.578 -4.664 -8.303 1.00 0.54 C ATOM 1625 C ASP A 98 16.568 -5.423 -7.421 1.00 0.53 C ATOM 1626 O ASP A 98 16.668 -6.642 -7.268 1.00 0.61 O ATOM 1627 CB ASP A 98 18.514 -3.839 -7.409 1.00 0.64 C ATOM 1628 CG ASP A 98 19.696 -3.247 -8.191 1.00 1.38 C ATOM 1629 OD1 ASP A 98 20.718 -3.955 -8.363 1.00 2.59 O ATOM 1630 OD2 ASP A 98 19.602 -2.071 -8.617 1.00 2.40 O ATOM 0 H ASP A 98 17.157 -2.772 -9.050 1.00 0.47 H new ATOM 0 HA ASP A 98 18.124 -5.414 -8.876 1.00 0.54 H new ATOM 0 HB2 ASP A 98 17.949 -3.032 -6.943 1.00 0.64 H new ATOM 0 HB3 ASP A 98 18.893 -4.469 -6.604 1.00 0.64 H new ATOM 1635 N LEU A 99 15.573 -4.713 -6.872 1.00 0.49 N ATOM 1636 CA LEU A 99 14.492 -5.263 -6.039 1.00 0.54 C ATOM 1637 C LEU A 99 13.676 -6.289 -6.847 1.00 0.50 C ATOM 1638 O LEU A 99 13.389 -7.390 -6.374 1.00 0.60 O ATOM 1639 CB LEU A 99 13.651 -4.068 -5.525 1.00 0.61 C ATOM 1640 CG LEU A 99 12.776 -4.257 -4.267 1.00 0.74 C ATOM 1641 CD1 LEU A 99 11.827 -5.457 -4.319 1.00 1.92 C ATOM 1642 CD2 LEU A 99 13.633 -4.321 -2.998 1.00 1.34 C ATOM 0 H LEU A 99 15.495 -3.704 -7.000 1.00 0.49 H new ATOM 0 HA LEU A 99 14.876 -5.807 -5.176 1.00 0.54 H new ATOM 0 HB2 LEU A 99 14.336 -3.243 -5.329 1.00 0.61 H new ATOM 0 HB3 LEU A 99 12.996 -3.752 -6.337 1.00 0.61 H new ATOM 0 HG LEU A 99 12.140 -3.372 -4.241 1.00 0.74 H new ATOM 0 HD11 LEU A 99 11.254 -5.508 -3.393 1.00 1.92 H new ATOM 0 HD12 LEU A 99 11.145 -5.345 -5.162 1.00 1.92 H new ATOM 0 HD13 LEU A 99 12.405 -6.373 -4.439 1.00 1.92 H new ATOM 0 HD21 LEU A 99 12.988 -4.454 -2.130 1.00 1.34 H new ATOM 0 HD22 LEU A 99 14.325 -5.160 -3.068 1.00 1.34 H new ATOM 0 HD23 LEU A 99 14.196 -3.394 -2.892 1.00 1.34 H new ATOM 1654 N PHE A 100 13.385 -5.954 -8.105 1.00 0.46 N ATOM 1655 CA PHE A 100 12.657 -6.790 -9.058 1.00 0.49 C ATOM 1656 C PHE A 100 13.584 -7.710 -9.891 1.00 0.49 C ATOM 1657 O PHE A 100 13.129 -8.339 -10.844 1.00 0.52 O ATOM 1658 CB PHE A 100 11.784 -5.876 -9.930 1.00 0.52 C ATOM 1659 CG PHE A 100 10.556 -5.311 -9.225 1.00 0.55 C ATOM 1660 CD1 PHE A 100 10.694 -4.305 -8.250 1.00 1.38 C ATOM 1661 CD2 PHE A 100 9.267 -5.791 -9.533 1.00 1.46 C ATOM 1662 CE1 PHE A 100 9.566 -3.786 -7.592 1.00 1.37 C ATOM 1663 CE2 PHE A 100 8.135 -5.240 -8.906 1.00 1.50 C ATOM 1664 CZ PHE A 100 8.282 -4.240 -7.930 1.00 0.64 C ATOM 0 H PHE A 100 13.662 -5.056 -8.503 1.00 0.46 H new ATOM 0 HA PHE A 100 12.019 -7.483 -8.510 1.00 0.49 H new ATOM 0 HB2 PHE A 100 12.394 -5.047 -10.289 1.00 0.52 H new ATOM 0 HB3 PHE A 100 11.458 -6.435 -10.807 1.00 0.52 H new ATOM 0 HD1 PHE A 100 11.676 -3.928 -8.005 1.00 1.38 H new ATOM 0 HD2 PHE A 100 9.148 -6.586 -10.254 1.00 1.46 H new ATOM 0 HE1 PHE A 100 9.688 -3.036 -6.824 1.00 1.37 H new ATOM 0 HE2 PHE A 100 7.149 -5.587 -9.176 1.00 1.50 H new ATOM 0 HZ PHE A 100 7.413 -3.824 -7.443 1.00 0.64 H new ATOM 1674 N SER A 101 14.876 -7.828 -9.560 1.00 0.52 N ATOM 1675 CA SER A 101 15.840 -8.631 -10.341 1.00 0.57 C ATOM 1676 C SER A 101 15.598 -10.149 -10.223 1.00 0.56 C ATOM 1677 O SER A 101 16.009 -10.911 -11.100 1.00 0.64 O ATOM 1678 CB SER A 101 17.282 -8.290 -9.932 1.00 0.66 C ATOM 1679 OG SER A 101 18.241 -8.809 -10.847 1.00 0.82 O ATOM 0 H SER A 101 15.287 -7.372 -8.745 1.00 0.52 H new ATOM 0 HA SER A 101 15.685 -8.367 -11.387 1.00 0.57 H new ATOM 0 HB2 SER A 101 17.393 -7.208 -9.868 1.00 0.66 H new ATOM 0 HB3 SER A 101 17.479 -8.690 -8.937 1.00 0.66 H new ATOM 0 HG SER A 101 19.142 -8.567 -10.548 1.00 0.82 H new ATOM 1685 N GLU A 102 14.902 -10.593 -9.171 1.00 0.53 N ATOM 1686 CA GLU A 102 14.317 -11.936 -9.084 1.00 0.55 C ATOM 1687 C GLU A 102 12.897 -11.941 -9.680 1.00 0.53 C ATOM 1688 O GLU A 102 12.575 -12.772 -10.531 1.00 0.61 O ATOM 1689 CB GLU A 102 14.337 -12.393 -7.615 1.00 0.65 C ATOM 1690 CG GLU A 102 13.913 -13.857 -7.452 1.00 1.69 C ATOM 1691 CD GLU A 102 14.192 -14.352 -6.024 1.00 1.76 C ATOM 1692 OE1 GLU A 102 15.334 -14.789 -5.745 1.00 2.23 O ATOM 1693 OE2 GLU A 102 13.272 -14.316 -5.174 1.00 2.42 O ATOM 0 H GLU A 102 14.727 -10.022 -8.344 1.00 0.53 H new ATOM 0 HA GLU A 102 14.904 -12.644 -9.669 1.00 0.55 H new ATOM 0 HB2 GLU A 102 15.340 -12.261 -7.210 1.00 0.65 H new ATOM 0 HB3 GLU A 102 13.671 -11.758 -7.031 1.00 0.65 H new ATOM 0 HG2 GLU A 102 12.851 -13.960 -7.676 1.00 1.69 H new ATOM 0 HG3 GLU A 102 14.451 -14.478 -8.168 1.00 1.69 H new ATOM 1700 N ALA A 103 12.060 -10.966 -9.302 1.00 0.48 N ATOM 1701 CA ALA A 103 10.687 -10.788 -9.782 1.00 0.49 C ATOM 1702 C ALA A 103 10.603 -10.126 -11.180 1.00 0.46 C ATOM 1703 O ALA A 103 9.803 -9.222 -11.418 1.00 0.44 O ATOM 1704 CB ALA A 103 9.899 -10.057 -8.683 1.00 0.54 C ATOM 0 H ALA A 103 12.334 -10.252 -8.627 1.00 0.48 H new ATOM 0 HA ALA A 103 10.226 -11.760 -9.956 1.00 0.49 H new ATOM 0 HB1 ALA A 103 8.870 -9.909 -9.010 1.00 0.54 H new ATOM 0 HB2 ALA A 103 9.907 -10.654 -7.771 1.00 0.54 H new ATOM 0 HB3 ALA A 103 10.360 -9.089 -8.487 1.00 0.54 H new ATOM 1710 N GLN A 104 11.421 -10.587 -12.129 1.00 0.50 N ATOM 1711 CA GLN A 104 11.423 -10.107 -13.516 1.00 0.51 C ATOM 1712 C GLN A 104 10.093 -10.319 -14.274 1.00 0.50 C ATOM 1713 O GLN A 104 9.687 -9.382 -14.969 1.00 0.51 O ATOM 1714 CB GLN A 104 12.594 -10.720 -14.301 1.00 0.56 C ATOM 1715 CG GLN A 104 13.957 -10.283 -13.743 1.00 0.69 C ATOM 1716 CD GLN A 104 15.141 -10.798 -14.570 1.00 0.73 C ATOM 1717 OE1 GLN A 104 15.117 -10.862 -15.794 1.00 0.82 O ATOM 1718 NE2 GLN A 104 16.230 -11.183 -13.937 1.00 1.05 N ATOM 0 H GLN A 104 12.112 -11.316 -11.954 1.00 0.50 H new ATOM 0 HA GLN A 104 11.548 -9.027 -13.446 1.00 0.51 H new ATOM 0 HB2 GLN A 104 12.522 -11.807 -14.269 1.00 0.56 H new ATOM 0 HB3 GLN A 104 12.521 -10.426 -15.348 1.00 0.56 H new ATOM 0 HG2 GLN A 104 13.995 -9.194 -13.705 1.00 0.69 H new ATOM 0 HG3 GLN A 104 14.055 -10.641 -12.718 1.00 0.69 H new ATOM 0 HE21 GLN A 104 16.271 -11.138 -12.919 1.00 1.05 H new ATOM 0 HE22 GLN A 104 17.032 -11.526 -14.465 1.00 1.05 H new ATOM 1727 N PRO A 105 9.378 -11.466 -14.168 1.00 0.52 N ATOM 1728 CA PRO A 105 8.107 -11.645 -14.872 1.00 0.52 C ATOM 1729 C PRO A 105 6.969 -10.823 -14.251 1.00 0.47 C ATOM 1730 O PRO A 105 5.989 -10.535 -14.936 1.00 0.43 O ATOM 1731 CB PRO A 105 7.832 -13.151 -14.855 1.00 0.60 C ATOM 1732 CG PRO A 105 8.527 -13.632 -13.585 1.00 0.61 C ATOM 1733 CD PRO A 105 9.726 -12.695 -13.454 1.00 0.55 C ATOM 0 HA PRO A 105 8.167 -11.273 -15.895 1.00 0.52 H new ATOM 0 HB2 PRO A 105 6.763 -13.362 -14.831 1.00 0.60 H new ATOM 0 HB3 PRO A 105 8.234 -13.641 -15.742 1.00 0.60 H new ATOM 0 HG2 PRO A 105 7.869 -13.565 -12.718 1.00 0.61 H new ATOM 0 HG3 PRO A 105 8.839 -14.673 -13.669 1.00 0.61 H new ATOM 0 HD2 PRO A 105 9.942 -12.486 -12.406 1.00 0.55 H new ATOM 0 HD3 PRO A 105 10.621 -13.150 -13.879 1.00 0.55 H new ATOM 1741 N LEU A 106 7.116 -10.391 -12.992 1.00 0.49 N ATOM 1742 CA LEU A 106 6.228 -9.425 -12.348 1.00 0.48 C ATOM 1743 C LEU A 106 6.498 -8.020 -12.893 1.00 0.47 C ATOM 1744 O LEU A 106 5.569 -7.343 -13.323 1.00 0.49 O ATOM 1745 CB LEU A 106 6.459 -9.528 -10.826 1.00 0.48 C ATOM 1746 CG LEU A 106 5.576 -8.663 -9.908 1.00 0.56 C ATOM 1747 CD1 LEU A 106 4.275 -9.392 -9.553 1.00 1.53 C ATOM 1748 CD2 LEU A 106 6.319 -8.370 -8.593 1.00 1.19 C ATOM 0 H LEU A 106 7.870 -10.711 -12.385 1.00 0.49 H new ATOM 0 HA LEU A 106 5.181 -9.638 -12.561 1.00 0.48 H new ATOM 0 HB2 LEU A 106 6.324 -10.570 -10.536 1.00 0.48 H new ATOM 0 HB3 LEU A 106 7.500 -9.274 -10.627 1.00 0.48 H new ATOM 0 HG LEU A 106 5.350 -7.740 -10.442 1.00 0.56 H new ATOM 0 HD11 LEU A 106 3.669 -8.760 -8.904 1.00 1.53 H new ATOM 0 HD12 LEU A 106 3.721 -9.612 -10.465 1.00 1.53 H new ATOM 0 HD13 LEU A 106 4.509 -10.323 -9.037 1.00 1.53 H new ATOM 0 HD21 LEU A 106 5.689 -7.758 -7.948 1.00 1.19 H new ATOM 0 HD22 LEU A 106 6.551 -9.308 -8.089 1.00 1.19 H new ATOM 0 HD23 LEU A 106 7.244 -7.836 -8.809 1.00 1.19 H new ATOM 1760 N TRP A 107 7.770 -7.611 -12.939 1.00 0.47 N ATOM 1761 CA TRP A 107 8.210 -6.313 -13.454 1.00 0.50 C ATOM 1762 C TRP A 107 7.801 -6.120 -14.912 1.00 0.54 C ATOM 1763 O TRP A 107 7.217 -5.095 -15.244 1.00 0.59 O ATOM 1764 CB TRP A 107 9.733 -6.208 -13.292 1.00 0.54 C ATOM 1765 CG TRP A 107 10.451 -5.018 -13.869 1.00 0.71 C ATOM 1766 CD1 TRP A 107 11.725 -5.062 -14.324 1.00 0.99 C ATOM 1767 CD2 TRP A 107 10.021 -3.625 -14.050 1.00 1.03 C ATOM 1768 NE1 TRP A 107 12.108 -3.821 -14.785 1.00 1.33 N ATOM 1769 CE2 TRP A 107 11.088 -2.904 -14.672 1.00 1.34 C ATOM 1770 CE3 TRP A 107 8.849 -2.885 -13.766 1.00 1.34 C ATOM 1771 CZ2 TRP A 107 10.986 -1.552 -15.031 1.00 1.74 C ATOM 1772 CZ3 TRP A 107 8.733 -1.529 -14.125 1.00 1.75 C ATOM 1773 CH2 TRP A 107 9.792 -0.864 -14.767 1.00 1.90 C ATOM 0 H TRP A 107 8.542 -8.191 -12.610 1.00 0.47 H new ATOM 0 HA TRP A 107 7.725 -5.521 -12.884 1.00 0.50 H new ATOM 0 HB2 TRP A 107 9.953 -6.238 -12.225 1.00 0.54 H new ATOM 0 HB3 TRP A 107 10.173 -7.102 -13.733 1.00 0.54 H new ATOM 0 HD1 TRP A 107 12.351 -5.942 -14.326 1.00 0.99 H new ATOM 0 HE1 TRP A 107 13.031 -3.609 -15.163 1.00 1.33 H new ATOM 0 HE3 TRP A 107 8.026 -3.371 -13.263 1.00 1.34 H new ATOM 0 HZ2 TRP A 107 11.815 -1.047 -15.504 1.00 1.74 H new ATOM 0 HZ3 TRP A 107 7.821 -0.994 -13.905 1.00 1.75 H new ATOM 0 HH2 TRP A 107 9.687 0.171 -15.056 1.00 1.90 H new ATOM 1784 N GLU A 108 8.054 -7.108 -15.772 1.00 0.54 N ATOM 1785 CA GLU A 108 7.788 -6.975 -17.204 1.00 0.56 C ATOM 1786 C GLU A 108 6.288 -6.856 -17.488 1.00 0.53 C ATOM 1787 O GLU A 108 5.859 -5.990 -18.255 1.00 0.54 O ATOM 1788 CB GLU A 108 8.410 -8.166 -17.957 1.00 0.61 C ATOM 1789 CG GLU A 108 8.198 -8.148 -19.482 1.00 0.83 C ATOM 1790 CD GLU A 108 8.734 -6.906 -20.219 1.00 1.77 C ATOM 1791 OE1 GLU A 108 9.444 -6.053 -19.639 1.00 2.70 O ATOM 1792 OE2 GLU A 108 8.452 -6.764 -21.431 1.00 2.93 O ATOM 0 H GLU A 108 8.444 -8.011 -15.500 1.00 0.54 H new ATOM 0 HA GLU A 108 8.249 -6.054 -17.561 1.00 0.56 H new ATOM 0 HB2 GLU A 108 9.481 -8.187 -17.753 1.00 0.61 H new ATOM 0 HB3 GLU A 108 7.991 -9.089 -17.557 1.00 0.61 H new ATOM 0 HG2 GLU A 108 8.674 -9.032 -19.906 1.00 0.83 H new ATOM 0 HG3 GLU A 108 7.130 -8.233 -19.682 1.00 0.83 H new ATOM 1799 N ALA A 109 5.478 -7.704 -16.850 1.00 0.53 N ATOM 1800 CA ALA A 109 4.027 -7.650 -16.983 1.00 0.54 C ATOM 1801 C ALA A 109 3.434 -6.350 -16.425 1.00 0.53 C ATOM 1802 O ALA A 109 2.596 -5.719 -17.069 1.00 0.54 O ATOM 1803 CB ALA A 109 3.462 -8.894 -16.316 1.00 0.57 C ATOM 0 H ALA A 109 5.811 -8.443 -16.230 1.00 0.53 H new ATOM 0 HA ALA A 109 3.748 -7.641 -18.037 1.00 0.54 H new ATOM 0 HB1 ALA A 109 2.375 -8.888 -16.396 1.00 0.57 H new ATOM 0 HB2 ALA A 109 3.857 -9.782 -16.809 1.00 0.57 H new ATOM 0 HB3 ALA A 109 3.748 -8.905 -15.264 1.00 0.57 H new ATOM 1809 N ALA A 110 3.892 -5.912 -15.253 1.00 0.54 N ATOM 1810 CA ALA A 110 3.457 -4.667 -14.632 1.00 0.58 C ATOM 1811 C ALA A 110 3.818 -3.449 -15.506 1.00 0.57 C ATOM 1812 O ALA A 110 2.947 -2.629 -15.805 1.00 0.60 O ATOM 1813 CB ALA A 110 4.087 -4.640 -13.234 1.00 0.63 C ATOM 0 H ALA A 110 4.585 -6.420 -14.703 1.00 0.54 H new ATOM 0 HA ALA A 110 2.372 -4.613 -14.539 1.00 0.58 H new ATOM 0 HB1 ALA A 110 3.794 -3.725 -12.720 1.00 0.63 H new ATOM 0 HB2 ALA A 110 3.743 -5.503 -12.663 1.00 0.63 H new ATOM 0 HB3 ALA A 110 5.173 -4.674 -13.324 1.00 0.63 H new ATOM 1819 N ARG A 111 5.054 -3.399 -16.020 1.00 0.56 N ATOM 1820 CA ARG A 111 5.563 -2.375 -16.947 1.00 0.58 C ATOM 1821 C ARG A 111 4.699 -2.264 -18.208 1.00 0.56 C ATOM 1822 O ARG A 111 4.418 -1.152 -18.661 1.00 0.57 O ATOM 1823 CB ARG A 111 7.019 -2.729 -17.307 1.00 0.67 C ATOM 1824 CG ARG A 111 7.750 -1.682 -18.162 1.00 0.84 C ATOM 1825 CD ARG A 111 9.170 -2.158 -18.517 1.00 1.26 C ATOM 1826 NE ARG A 111 9.175 -3.178 -19.587 1.00 2.47 N ATOM 1827 CZ ARG A 111 9.211 -2.966 -20.897 1.00 3.04 C ATOM 1828 NH1 ARG A 111 9.234 -1.757 -21.424 1.00 3.35 N ATOM 1829 NH2 ARG A 111 9.225 -3.997 -21.707 1.00 4.53 N ATOM 0 H ARG A 111 5.758 -4.101 -15.792 1.00 0.56 H new ATOM 0 HA ARG A 111 5.523 -1.401 -16.460 1.00 0.58 H new ATOM 0 HB2 ARG A 111 7.580 -2.878 -16.384 1.00 0.67 H new ATOM 0 HB3 ARG A 111 7.025 -3.680 -17.840 1.00 0.67 H new ATOM 0 HG2 ARG A 111 7.186 -1.494 -19.076 1.00 0.84 H new ATOM 0 HG3 ARG A 111 7.803 -0.737 -17.621 1.00 0.84 H new ATOM 0 HD2 ARG A 111 9.768 -1.303 -18.832 1.00 1.26 H new ATOM 0 HD3 ARG A 111 9.645 -2.569 -17.626 1.00 1.26 H new ATOM 0 HE ARG A 111 9.148 -4.152 -19.286 1.00 2.47 H new ATOM 0 HH11 ARG A 111 9.224 -0.936 -20.818 1.00 3.35 H new ATOM 0 HH12 ARG A 111 9.261 -1.643 -22.437 1.00 3.35 H new ATOM 0 HH21 ARG A 111 9.208 -4.944 -21.328 1.00 4.53 H new ATOM 0 HH22 ARG A 111 9.253 -3.852 -22.716 1.00 4.53 H new ATOM 1843 N ALA A 112 4.245 -3.400 -18.746 1.00 0.55 N ATOM 1844 CA ALA A 112 3.354 -3.475 -19.905 1.00 0.55 C ATOM 1845 C ALA A 112 1.945 -2.939 -19.595 1.00 0.56 C ATOM 1846 O ALA A 112 1.372 -2.189 -20.385 1.00 0.58 O ATOM 1847 CB ALA A 112 3.309 -4.939 -20.366 1.00 0.56 C ATOM 0 H ALA A 112 4.495 -4.317 -18.376 1.00 0.55 H new ATOM 0 HA ALA A 112 3.740 -2.839 -20.701 1.00 0.55 H new ATOM 0 HB1 ALA A 112 2.651 -5.028 -21.231 1.00 0.56 H new ATOM 0 HB2 ALA A 112 4.313 -5.266 -20.638 1.00 0.56 H new ATOM 0 HB3 ALA A 112 2.931 -5.564 -19.557 1.00 0.56 H new ATOM 1853 N HIS A 113 1.393 -3.302 -18.436 1.00 0.55 N ATOM 1854 CA HIS A 113 0.061 -2.884 -17.983 1.00 0.60 C ATOM 1855 C HIS A 113 -0.040 -1.408 -17.531 1.00 0.66 C ATOM 1856 O HIS A 113 -1.150 -0.906 -17.336 1.00 0.72 O ATOM 1857 CB HIS A 113 -0.437 -3.871 -16.919 1.00 0.60 C ATOM 1858 CG HIS A 113 -0.849 -5.192 -17.525 1.00 0.59 C ATOM 1859 ND1 HIS A 113 -0.073 -6.321 -17.627 1.00 0.57 N ATOM 1860 CD2 HIS A 113 -2.069 -5.499 -18.069 1.00 0.64 C ATOM 1861 CE1 HIS A 113 -0.797 -7.281 -18.224 1.00 0.59 C ATOM 1862 NE2 HIS A 113 -2.027 -6.826 -18.518 1.00 0.63 N ATOM 0 H HIS A 113 1.869 -3.909 -17.769 1.00 0.55 H new ATOM 0 HA HIS A 113 -0.601 -2.917 -18.848 1.00 0.60 H new ATOM 0 HB2 HIS A 113 0.349 -4.039 -16.183 1.00 0.60 H new ATOM 0 HB3 HIS A 113 -1.283 -3.436 -16.388 1.00 0.60 H new ATOM 0 HD1 HIS A 113 0.890 -6.414 -17.304 1.00 0.57 H new ATOM 0 HD2 HIS A 113 -2.916 -4.833 -18.139 1.00 0.64 H new ATOM 0 HE1 HIS A 113 -0.441 -8.278 -18.438 1.00 0.59 H new ATOM 1870 N GLY A 114 1.094 -0.712 -17.372 1.00 0.66 N ATOM 1871 CA GLY A 114 1.169 0.719 -17.020 1.00 0.73 C ATOM 1872 C GLY A 114 1.913 1.024 -15.719 1.00 0.63 C ATOM 1873 O GLY A 114 2.268 2.178 -15.470 1.00 0.62 O ATOM 0 H GLY A 114 2.013 -1.139 -17.487 1.00 0.66 H new ATOM 0 HA2 GLY A 114 1.658 1.253 -17.835 1.00 0.73 H new ATOM 0 HA3 GLY A 114 0.156 1.113 -16.943 1.00 0.73 H new ATOM 1877 N LEU A 115 2.185 -0.006 -14.916 1.00 0.63 N ATOM 1878 CA LEU A 115 2.763 0.086 -13.583 1.00 0.63 C ATOM 1879 C LEU A 115 4.291 0.225 -13.685 1.00 0.73 C ATOM 1880 O LEU A 115 5.027 -0.764 -13.679 1.00 1.19 O ATOM 1881 CB LEU A 115 2.345 -1.148 -12.757 1.00 0.64 C ATOM 1882 CG LEU A 115 0.850 -1.359 -12.426 1.00 0.62 C ATOM 1883 CD1 LEU A 115 -0.064 -1.621 -13.636 1.00 0.96 C ATOM 1884 CD2 LEU A 115 0.769 -2.582 -11.500 1.00 1.08 C ATOM 0 H LEU A 115 1.998 -0.969 -15.194 1.00 0.63 H new ATOM 0 HA LEU A 115 2.389 0.973 -13.071 1.00 0.63 H new ATOM 0 HB2 LEU A 115 2.692 -2.033 -13.290 1.00 0.64 H new ATOM 0 HB3 LEU A 115 2.889 -1.111 -11.813 1.00 0.64 H new ATOM 0 HG LEU A 115 0.491 -0.431 -11.981 1.00 0.62 H new ATOM 0 HD11 LEU A 115 -1.090 -1.755 -13.294 1.00 0.96 H new ATOM 0 HD12 LEU A 115 -0.017 -0.772 -14.318 1.00 0.96 H new ATOM 0 HD13 LEU A 115 0.267 -2.521 -14.154 1.00 0.96 H new ATOM 0 HD21 LEU A 115 -0.272 -2.771 -11.238 1.00 1.08 H new ATOM 0 HD22 LEU A 115 1.179 -3.453 -12.011 1.00 1.08 H new ATOM 0 HD23 LEU A 115 1.343 -2.390 -10.593 1.00 1.08 H new ATOM 1896 N ARG A 116 4.763 1.464 -13.850 1.00 0.67 N ATOM 1897 CA ARG A 116 6.116 1.771 -14.335 1.00 0.65 C ATOM 1898 C ARG A 116 7.166 1.955 -13.230 1.00 0.55 C ATOM 1899 O ARG A 116 8.336 1.682 -13.481 1.00 0.59 O ATOM 1900 CB ARG A 116 6.048 3.024 -15.231 1.00 0.79 C ATOM 1901 CG ARG A 116 6.418 2.746 -16.685 1.00 1.02 C ATOM 1902 CD ARG A 116 5.357 1.943 -17.449 1.00 1.38 C ATOM 1903 NE ARG A 116 4.326 2.826 -18.023 1.00 2.00 N ATOM 1904 CZ ARG A 116 3.549 2.559 -19.067 1.00 2.78 C ATOM 1905 NH1 ARG A 116 3.538 1.381 -19.657 1.00 3.51 N ATOM 1906 NH2 ARG A 116 2.740 3.486 -19.532 1.00 3.35 N ATOM 0 H ARG A 116 4.209 2.296 -13.648 1.00 0.67 H new ATOM 0 HA ARG A 116 6.454 0.901 -14.898 1.00 0.65 H new ATOM 0 HB2 ARG A 116 5.040 3.436 -15.192 1.00 0.79 H new ATOM 0 HB3 ARG A 116 6.719 3.785 -14.832 1.00 0.79 H new ATOM 0 HG2 ARG A 116 6.581 3.694 -17.197 1.00 1.02 H new ATOM 0 HG3 ARG A 116 7.362 2.202 -16.713 1.00 1.02 H new ATOM 0 HD2 ARG A 116 5.834 1.372 -18.246 1.00 1.38 H new ATOM 0 HD3 ARG A 116 4.889 1.223 -16.777 1.00 1.38 H new ATOM 0 HE ARG A 116 4.196 3.733 -17.574 1.00 2.00 H new ATOM 0 HH11 ARG A 116 4.141 0.633 -19.314 1.00 3.51 H new ATOM 0 HH12 ARG A 116 2.926 1.217 -20.456 1.00 3.51 H new ATOM 0 HH21 ARG A 116 2.711 4.405 -19.091 1.00 3.35 H new ATOM 0 HH22 ARG A 116 2.142 3.285 -20.333 1.00 3.35 H new ATOM 1920 N ARG A 117 6.784 2.413 -12.033 1.00 0.53 N ATOM 1921 CA ARG A 117 7.660 2.668 -10.867 1.00 0.38 C ATOM 1922 C ARG A 117 6.787 3.059 -9.674 1.00 0.62 C ATOM 1923 O ARG A 117 5.833 3.810 -9.851 1.00 1.22 O ATOM 1924 CB ARG A 117 8.658 3.810 -11.158 1.00 0.73 C ATOM 1925 CG ARG A 117 10.150 3.490 -10.993 1.00 0.88 C ATOM 1926 CD ARG A 117 10.749 2.483 -11.982 1.00 0.69 C ATOM 1927 NE ARG A 117 12.218 2.502 -11.907 1.00 1.46 N ATOM 1928 CZ ARG A 117 13.060 1.580 -12.358 1.00 2.04 C ATOM 1929 NH1 ARG A 117 12.657 0.443 -12.882 1.00 2.76 N ATOM 1930 NH2 ARG A 117 14.352 1.806 -12.284 1.00 2.68 N ATOM 0 H ARG A 117 5.807 2.629 -11.833 1.00 0.53 H new ATOM 0 HA ARG A 117 8.228 1.763 -10.652 1.00 0.38 H new ATOM 0 HB2 ARG A 117 8.495 4.150 -12.181 1.00 0.73 H new ATOM 0 HB3 ARG A 117 8.416 4.646 -10.502 1.00 0.73 H new ATOM 0 HG2 ARG A 117 10.709 4.422 -11.075 1.00 0.88 H new ATOM 0 HG3 ARG A 117 10.308 3.111 -9.983 1.00 0.88 H new ATOM 0 HD2 ARG A 117 10.380 1.482 -11.759 1.00 0.69 H new ATOM 0 HD3 ARG A 117 10.427 2.723 -12.995 1.00 0.69 H new ATOM 0 HE ARG A 117 12.637 3.316 -11.457 1.00 1.46 H new ATOM 0 HH11 ARG A 117 11.660 0.240 -12.955 1.00 2.76 H new ATOM 0 HH12 ARG A 117 13.341 -0.236 -13.216 1.00 2.76 H new ATOM 0 HH21 ARG A 117 14.695 2.680 -11.884 1.00 2.68 H new ATOM 0 HH22 ARG A 117 15.012 1.108 -12.626 1.00 2.68 H new ATOM 1944 N GLY A 118 7.084 2.570 -8.472 1.00 0.40 N ATOM 1945 CA GLY A 118 6.188 2.715 -7.319 1.00 0.46 C ATOM 1946 C GLY A 118 6.877 2.863 -5.972 1.00 0.43 C ATOM 1947 O GLY A 118 8.085 3.075 -5.881 1.00 0.50 O ATOM 0 H GLY A 118 7.946 2.065 -8.267 1.00 0.40 H new ATOM 0 HA2 GLY A 118 5.553 3.586 -7.481 1.00 0.46 H new ATOM 0 HA3 GLY A 118 5.532 1.846 -7.279 1.00 0.46 H new ATOM 1951 N VAL A 119 6.052 2.807 -4.933 1.00 0.42 N ATOM 1952 CA VAL A 119 6.369 3.080 -3.521 1.00 0.42 C ATOM 1953 C VAL A 119 5.495 2.167 -2.652 1.00 0.40 C ATOM 1954 O VAL A 119 4.329 1.957 -2.984 1.00 0.45 O ATOM 1955 CB VAL A 119 6.123 4.572 -3.158 1.00 0.47 C ATOM 1956 CG1 VAL A 119 7.137 5.505 -3.835 1.00 0.76 C ATOM 1957 CG2 VAL A 119 4.721 5.074 -3.549 1.00 0.60 C ATOM 0 H VAL A 119 5.072 2.552 -5.055 1.00 0.42 H new ATOM 0 HA VAL A 119 7.426 2.880 -3.343 1.00 0.42 H new ATOM 0 HB VAL A 119 6.230 4.602 -2.074 1.00 0.47 H new ATOM 0 HG11 VAL A 119 6.927 6.537 -3.553 1.00 0.76 H new ATOM 0 HG12 VAL A 119 8.145 5.240 -3.516 1.00 0.76 H new ATOM 0 HG13 VAL A 119 7.060 5.402 -4.917 1.00 0.76 H new ATOM 0 HG21 VAL A 119 4.618 6.122 -3.267 1.00 0.60 H new ATOM 0 HG22 VAL A 119 4.586 4.973 -4.626 1.00 0.60 H new ATOM 0 HG23 VAL A 119 3.965 4.483 -3.031 1.00 0.60 H new ATOM 1967 N THR A 120 6.037 1.622 -1.558 1.00 0.37 N ATOM 1968 CA THR A 120 5.368 0.613 -0.716 1.00 0.32 C ATOM 1969 C THR A 120 5.588 0.934 0.761 1.00 0.36 C ATOM 1970 O THR A 120 6.691 1.304 1.163 1.00 0.43 O ATOM 1971 CB THR A 120 5.911 -0.773 -1.100 1.00 0.32 C ATOM 1972 OG1 THR A 120 5.421 -1.119 -2.374 1.00 0.40 O ATOM 1973 CG2 THR A 120 5.565 -1.904 -0.142 1.00 0.46 C ATOM 0 H THR A 120 6.968 1.871 -1.223 1.00 0.37 H new ATOM 0 HA THR A 120 4.291 0.621 -0.882 1.00 0.32 H new ATOM 0 HB THR A 120 6.996 -0.671 -1.070 1.00 0.32 H new ATOM 0 HG1 THR A 120 4.474 -1.360 -2.306 1.00 0.40 H new ATOM 0 HG21 THR A 120 5.997 -2.836 -0.508 1.00 0.46 H new ATOM 0 HG22 THR A 120 5.968 -1.680 0.846 1.00 0.46 H new ATOM 0 HG23 THR A 120 4.482 -2.007 -0.077 1.00 0.46 H new ATOM 1981 N GLN A 121 4.550 0.781 1.587 1.00 0.45 N ATOM 1982 CA GLN A 121 4.655 0.928 3.040 1.00 0.47 C ATOM 1983 C GLN A 121 3.954 -0.197 3.806 1.00 0.52 C ATOM 1984 O GLN A 121 2.909 -0.706 3.407 1.00 0.69 O ATOM 1985 CB GLN A 121 4.109 2.293 3.521 1.00 0.51 C ATOM 1986 CG GLN A 121 5.184 3.317 3.928 1.00 1.26 C ATOM 1987 CD GLN A 121 6.275 2.732 4.824 1.00 2.07 C ATOM 1988 OE1 GLN A 121 7.433 2.683 4.448 1.00 3.12 O ATOM 1989 NE2 GLN A 121 5.969 2.179 5.977 1.00 2.90 N ATOM 0 H GLN A 121 3.610 0.551 1.265 1.00 0.45 H new ATOM 0 HA GLN A 121 5.721 0.871 3.259 1.00 0.47 H new ATOM 0 HB2 GLN A 121 3.500 2.724 2.726 1.00 0.51 H new ATOM 0 HB3 GLN A 121 3.449 2.124 4.372 1.00 0.51 H new ATOM 0 HG2 GLN A 121 5.644 3.726 3.028 1.00 1.26 H new ATOM 0 HG3 GLN A 121 4.705 4.148 4.447 1.00 1.26 H new ATOM 0 HE21 GLN A 121 5.007 2.205 6.316 1.00 2.90 H new ATOM 0 HE22 GLN A 121 6.693 1.724 6.532 1.00 2.90 H new ATOM 1998 N TYR A 122 4.538 -0.512 4.962 1.00 0.54 N ATOM 1999 CA TYR A 122 4.169 -1.565 5.911 1.00 0.55 C ATOM 2000 C TYR A 122 4.055 -0.979 7.332 1.00 0.57 C ATOM 2001 O TYR A 122 4.742 -0.006 7.659 1.00 0.71 O ATOM 2002 CB TYR A 122 5.262 -2.652 5.792 1.00 0.62 C ATOM 2003 CG TYR A 122 5.601 -3.499 7.009 1.00 0.64 C ATOM 2004 CD1 TYR A 122 6.303 -2.929 8.091 1.00 2.28 C ATOM 2005 CD2 TYR A 122 5.315 -4.877 7.019 1.00 1.82 C ATOM 2006 CE1 TYR A 122 6.674 -3.714 9.197 1.00 2.37 C ATOM 2007 CE2 TYR A 122 5.695 -5.673 8.118 1.00 1.82 C ATOM 2008 CZ TYR A 122 6.372 -5.093 9.214 1.00 0.89 C ATOM 2009 OH TYR A 122 6.749 -5.858 10.277 1.00 1.06 O ATOM 0 H TYR A 122 5.353 0.008 5.288 1.00 0.54 H new ATOM 0 HA TYR A 122 3.194 -2.001 5.694 1.00 0.55 H new ATOM 0 HB2 TYR A 122 4.964 -3.331 4.993 1.00 0.62 H new ATOM 0 HB3 TYR A 122 6.180 -2.161 5.468 1.00 0.62 H new ATOM 0 HD1 TYR A 122 6.558 -1.880 8.070 1.00 2.28 H new ATOM 0 HD2 TYR A 122 4.802 -5.326 6.181 1.00 1.82 H new ATOM 0 HE1 TYR A 122 7.189 -3.263 10.032 1.00 2.37 H new ATOM 0 HE2 TYR A 122 5.468 -6.729 8.122 1.00 1.82 H new ATOM 0 HH TYR A 122 6.464 -6.784 10.131 1.00 1.06 H new ATOM 2019 N LEU A 123 3.224 -1.578 8.195 1.00 0.54 N ATOM 2020 CA LEU A 123 3.209 -1.276 9.632 1.00 0.57 C ATOM 2021 C LEU A 123 2.658 -2.457 10.444 1.00 0.61 C ATOM 2022 O LEU A 123 1.688 -3.093 10.037 1.00 0.73 O ATOM 2023 CB LEU A 123 2.419 0.027 9.887 1.00 0.66 C ATOM 2024 CG LEU A 123 2.872 0.793 11.147 1.00 0.79 C ATOM 2025 CD1 LEU A 123 4.244 1.458 10.940 1.00 1.80 C ATOM 2026 CD2 LEU A 123 1.845 1.880 11.482 1.00 1.84 C ATOM 0 H LEU A 123 2.544 -2.285 7.917 1.00 0.54 H new ATOM 0 HA LEU A 123 4.233 -1.120 9.971 1.00 0.57 H new ATOM 0 HB2 LEU A 123 2.522 0.679 9.020 1.00 0.66 H new ATOM 0 HB3 LEU A 123 1.360 -0.214 9.980 1.00 0.66 H new ATOM 0 HG LEU A 123 2.952 0.075 11.963 1.00 0.79 H new ATOM 0 HD11 LEU A 123 4.532 1.989 11.848 1.00 1.80 H new ATOM 0 HD12 LEU A 123 4.988 0.694 10.715 1.00 1.80 H new ATOM 0 HD13 LEU A 123 4.185 2.163 10.111 1.00 1.80 H new ATOM 0 HD21 LEU A 123 2.165 2.421 12.372 1.00 1.84 H new ATOM 0 HD22 LEU A 123 1.764 2.574 10.645 1.00 1.84 H new ATOM 0 HD23 LEU A 123 0.875 1.419 11.667 1.00 1.84 H new ATOM 2038 N MET A 124 3.261 -2.732 11.603 1.00 0.68 N ATOM 2039 CA MET A 124 2.892 -3.837 12.504 1.00 0.74 C ATOM 2040 C MET A 124 2.324 -3.275 13.822 1.00 0.82 C ATOM 2041 O MET A 124 2.707 -2.180 14.245 1.00 0.91 O ATOM 2042 CB MET A 124 4.132 -4.722 12.742 1.00 0.78 C ATOM 2043 CG MET A 124 3.835 -6.226 12.667 1.00 1.06 C ATOM 2044 SD MET A 124 2.778 -6.903 13.974 1.00 1.30 S ATOM 2045 CE MET A 124 1.232 -7.158 13.063 1.00 1.31 C ATOM 0 H MET A 124 4.042 -2.179 11.955 1.00 0.68 H new ATOM 0 HA MET A 124 2.113 -4.451 12.052 1.00 0.74 H new ATOM 0 HB2 MET A 124 4.893 -4.473 12.003 1.00 0.78 H new ATOM 0 HB3 MET A 124 4.551 -4.491 13.721 1.00 0.78 H new ATOM 0 HG2 MET A 124 3.366 -6.434 11.706 1.00 1.06 H new ATOM 0 HG3 MET A 124 4.783 -6.763 12.682 1.00 1.06 H new ATOM 0 HE1 MET A 124 0.389 -6.860 13.686 1.00 1.31 H new ATOM 0 HE2 MET A 124 1.242 -6.557 12.154 1.00 1.31 H new ATOM 0 HE3 MET A 124 1.134 -8.211 12.800 1.00 1.31 H new ATOM 2055 N LEU A 125 1.406 -4.004 14.466 1.00 0.94 N ATOM 2056 CA LEU A 125 0.651 -3.564 15.651 1.00 1.01 C ATOM 2057 C LEU A 125 0.887 -4.501 16.859 1.00 1.20 C ATOM 2058 O LEU A 125 1.086 -5.703 16.657 1.00 1.54 O ATOM 2059 CB LEU A 125 -0.853 -3.515 15.295 1.00 1.22 C ATOM 2060 CG LEU A 125 -1.233 -2.540 14.159 1.00 1.04 C ATOM 2061 CD1 LEU A 125 -2.737 -2.656 13.878 1.00 1.85 C ATOM 2062 CD2 LEU A 125 -0.894 -1.078 14.487 1.00 2.18 C ATOM 0 H LEU A 125 1.158 -4.948 14.169 1.00 0.94 H new ATOM 0 HA LEU A 125 1.000 -2.573 15.940 1.00 1.01 H new ATOM 0 HB2 LEU A 125 -1.175 -4.517 15.014 1.00 1.22 H new ATOM 0 HB3 LEU A 125 -1.412 -3.240 16.189 1.00 1.22 H new ATOM 0 HG LEU A 125 -0.646 -2.820 13.284 1.00 1.04 H new ATOM 0 HD11 LEU A 125 -3.011 -1.970 13.077 1.00 1.85 H new ATOM 0 HD12 LEU A 125 -2.973 -3.677 13.578 1.00 1.85 H new ATOM 0 HD13 LEU A 125 -3.296 -2.404 14.779 1.00 1.85 H new ATOM 0 HD21 LEU A 125 -1.184 -0.441 13.651 1.00 2.18 H new ATOM 0 HD22 LEU A 125 -1.435 -0.771 15.382 1.00 2.18 H new ATOM 0 HD23 LEU A 125 0.178 -0.983 14.661 1.00 2.18 H new ATOM 2074 N PRO A 126 0.817 -3.994 18.110 1.00 1.20 N ATOM 2075 CA PRO A 126 1.007 -4.800 19.320 1.00 1.49 C ATOM 2076 C PRO A 126 -0.181 -5.733 19.627 1.00 1.49 C ATOM 2077 O PRO A 126 -0.017 -6.692 20.380 1.00 1.81 O ATOM 2078 CB PRO A 126 1.222 -3.781 20.445 1.00 1.66 C ATOM 2079 CG PRO A 126 0.413 -2.570 19.984 1.00 1.44 C ATOM 2080 CD PRO A 126 0.607 -2.594 18.469 1.00 1.22 C ATOM 0 HA PRO A 126 1.852 -5.478 19.200 1.00 1.49 H new ATOM 0 HB2 PRO A 126 0.868 -4.160 21.404 1.00 1.66 H new ATOM 0 HB3 PRO A 126 2.277 -3.536 20.569 1.00 1.66 H new ATOM 0 HG2 PRO A 126 -0.638 -2.657 20.259 1.00 1.44 H new ATOM 0 HG3 PRO A 126 0.783 -1.644 20.425 1.00 1.44 H new ATOM 0 HD2 PRO A 126 -0.266 -2.187 17.958 1.00 1.22 H new ATOM 0 HD3 PRO A 126 1.461 -1.984 18.176 1.00 1.22 H new ATOM 2088 N GLU A 127 -1.361 -5.476 19.046 1.00 1.33 N ATOM 2089 CA GLU A 127 -2.592 -6.250 19.238 1.00 1.60 C ATOM 2090 C GLU A 127 -3.545 -5.985 18.058 1.00 1.91 C ATOM 2091 O GLU A 127 -4.489 -5.207 18.216 1.00 3.32 O ATOM 2092 CB GLU A 127 -3.237 -5.876 20.595 1.00 2.90 C ATOM 2093 CG GLU A 127 -4.462 -6.739 20.954 1.00 3.38 C ATOM 2094 CD GLU A 127 -5.440 -6.002 21.886 1.00 4.16 C ATOM 2095 OE1 GLU A 127 -5.018 -5.509 22.959 1.00 5.13 O ATOM 2096 OE2 GLU A 127 -6.649 -5.923 21.555 1.00 4.63 O ATOM 0 H GLU A 127 -1.487 -4.693 18.405 1.00 1.33 H new ATOM 0 HA GLU A 127 -2.370 -7.317 19.262 1.00 1.60 H new ATOM 0 HB2 GLU A 127 -2.490 -5.975 21.382 1.00 2.90 H new ATOM 0 HB3 GLU A 127 -3.536 -4.828 20.569 1.00 2.90 H new ATOM 0 HG2 GLU A 127 -4.981 -7.027 20.040 1.00 3.38 H new ATOM 0 HG3 GLU A 127 -4.128 -7.659 21.435 1.00 3.38 H new ATOM 2103 N ARG A 128 -3.269 -6.604 16.891 1.00 1.61 N ATOM 2104 CA ARG A 128 -4.051 -6.596 15.625 1.00 2.59 C ATOM 2105 C ARG A 128 -3.270 -7.121 14.400 1.00 1.65 C ATOM 2106 O ARG A 128 -2.135 -7.584 14.532 1.00 2.34 O ATOM 2107 CB ARG A 128 -4.755 -5.237 15.374 1.00 4.72 C ATOM 2108 CG ARG A 128 -6.228 -5.340 15.814 1.00 5.99 C ATOM 2109 CD ARG A 128 -6.829 -4.016 16.297 1.00 7.83 C ATOM 2110 NE ARG A 128 -8.107 -4.279 16.973 1.00 8.53 N ATOM 2111 CZ ARG A 128 -8.243 -4.704 18.221 1.00 8.73 C ATOM 2112 NH1 ARG A 128 -7.212 -4.844 19.030 1.00 8.41 N ATOM 2113 NH2 ARG A 128 -9.445 -5.022 18.639 1.00 9.64 N ATOM 0 H ARG A 128 -2.426 -7.170 16.796 1.00 1.61 H new ATOM 0 HA ARG A 128 -4.846 -7.328 15.768 1.00 2.59 H new ATOM 0 HB2 ARG A 128 -4.252 -4.445 15.929 1.00 4.72 H new ATOM 0 HB3 ARG A 128 -4.696 -4.973 14.318 1.00 4.72 H new ATOM 0 HG2 ARG A 128 -6.821 -5.713 14.979 1.00 5.99 H new ATOM 0 HG3 ARG A 128 -6.307 -6.076 16.614 1.00 5.99 H new ATOM 0 HD2 ARG A 128 -6.140 -3.518 16.979 1.00 7.83 H new ATOM 0 HD3 ARG A 128 -6.983 -3.344 15.453 1.00 7.83 H new ATOM 0 HE ARG A 128 -8.960 -4.121 16.437 1.00 8.53 H new ATOM 0 HH11 ARG A 128 -6.272 -4.623 18.701 1.00 8.41 H new ATOM 0 HH12 ARG A 128 -7.354 -5.174 19.985 1.00 8.41 H new ATOM 0 HH21 ARG A 128 -10.243 -4.939 18.009 1.00 9.64 H new ATOM 0 HH22 ARG A 128 -9.582 -5.352 19.594 1.00 9.64 H new ATOM 2127 N ALA A 129 -3.909 -7.105 13.222 1.00 1.62 N ATOM 2128 CA ALA A 129 -3.410 -7.645 11.951 1.00 1.03 C ATOM 2129 C ALA A 129 -2.173 -6.912 11.403 1.00 0.91 C ATOM 2130 O ALA A 129 -1.735 -5.886 11.931 1.00 1.35 O ATOM 2131 CB ALA A 129 -4.543 -7.597 10.908 1.00 1.79 C ATOM 0 H ALA A 129 -4.837 -6.693 13.126 1.00 1.62 H new ATOM 0 HA ALA A 129 -3.093 -8.669 12.147 1.00 1.03 H new ATOM 0 HB1 ALA A 129 -4.182 -7.996 9.960 1.00 1.79 H new ATOM 0 HB2 ALA A 129 -5.384 -8.196 11.257 1.00 1.79 H new ATOM 0 HB3 ALA A 129 -4.865 -6.565 10.768 1.00 1.79 H new ATOM 2137 N LEU A 130 -1.672 -7.418 10.274 1.00 0.85 N ATOM 2138 CA LEU A 130 -0.712 -6.735 9.413 1.00 0.86 C ATOM 2139 C LEU A 130 -1.431 -6.280 8.134 1.00 0.67 C ATOM 2140 O LEU A 130 -2.149 -7.051 7.498 1.00 0.84 O ATOM 2141 CB LEU A 130 0.455 -7.708 9.148 1.00 1.14 C ATOM 2142 CG LEU A 130 1.555 -7.200 8.197 1.00 1.45 C ATOM 2143 CD1 LEU A 130 2.092 -5.815 8.569 1.00 2.29 C ATOM 2144 CD2 LEU A 130 2.723 -8.194 8.194 1.00 1.92 C ATOM 0 H LEU A 130 -1.932 -8.341 9.926 1.00 0.85 H new ATOM 0 HA LEU A 130 -0.300 -5.838 9.876 1.00 0.86 H new ATOM 0 HB2 LEU A 130 0.916 -7.960 10.103 1.00 1.14 H new ATOM 0 HB3 LEU A 130 0.046 -8.631 8.738 1.00 1.14 H new ATOM 0 HG LEU A 130 1.098 -7.116 7.211 1.00 1.45 H new ATOM 0 HD11 LEU A 130 2.863 -5.520 7.857 1.00 2.29 H new ATOM 0 HD12 LEU A 130 1.278 -5.090 8.543 1.00 2.29 H new ATOM 0 HD13 LEU A 130 2.517 -5.847 9.572 1.00 2.29 H new ATOM 0 HD21 LEU A 130 3.503 -7.837 7.522 1.00 1.92 H new ATOM 0 HD22 LEU A 130 3.127 -8.284 9.203 1.00 1.92 H new ATOM 0 HD23 LEU A 130 2.371 -9.168 7.856 1.00 1.92 H new ATOM 2156 N GLY A 131 -1.221 -5.024 7.747 1.00 0.61 N ATOM 2157 CA GLY A 131 -1.710 -4.453 6.493 1.00 0.57 C ATOM 2158 C GLY A 131 -0.742 -3.414 5.947 1.00 0.80 C ATOM 2159 O GLY A 131 0.073 -2.846 6.680 1.00 1.05 O ATOM 0 H GLY A 131 -0.693 -4.358 8.311 1.00 0.61 H new ATOM 0 HA2 GLY A 131 -1.848 -5.246 5.759 1.00 0.57 H new ATOM 0 HA3 GLY A 131 -2.686 -3.995 6.655 1.00 0.57 H new ATOM 2163 N PHE A 132 -0.811 -3.208 4.637 1.00 0.78 N ATOM 2164 CA PHE A 132 0.217 -2.529 3.858 1.00 0.83 C ATOM 2165 C PHE A 132 -0.373 -2.005 2.544 1.00 0.51 C ATOM 2166 O PHE A 132 -1.264 -2.623 1.954 1.00 0.60 O ATOM 2167 CB PHE A 132 1.431 -3.468 3.664 1.00 1.30 C ATOM 2168 CG PHE A 132 1.137 -4.938 3.412 1.00 1.08 C ATOM 2169 CD1 PHE A 132 1.005 -5.831 4.496 1.00 2.30 C ATOM 2170 CD2 PHE A 132 1.032 -5.425 2.098 1.00 2.49 C ATOM 2171 CE1 PHE A 132 0.727 -7.191 4.268 1.00 2.91 C ATOM 2172 CE2 PHE A 132 0.779 -6.789 1.872 1.00 3.51 C ATOM 2173 CZ PHE A 132 0.612 -7.670 2.954 1.00 3.25 C ATOM 0 H PHE A 132 -1.603 -3.516 4.073 1.00 0.78 H new ATOM 0 HA PHE A 132 0.583 -1.654 4.395 1.00 0.83 H new ATOM 0 HB2 PHE A 132 2.019 -3.092 2.826 1.00 1.30 H new ATOM 0 HB3 PHE A 132 2.059 -3.396 4.552 1.00 1.30 H new ATOM 0 HD1 PHE A 132 1.118 -5.468 5.507 1.00 2.30 H new ATOM 0 HD2 PHE A 132 1.146 -4.751 1.262 1.00 2.49 H new ATOM 0 HE1 PHE A 132 0.602 -7.865 5.103 1.00 2.91 H new ATOM 0 HE2 PHE A 132 0.713 -7.162 0.861 1.00 3.51 H new ATOM 0 HZ PHE A 132 0.396 -8.713 2.775 1.00 3.25 H new ATOM 2183 N LEU A 133 0.106 -0.840 2.101 1.00 0.57 N ATOM 2184 CA LEU A 133 -0.353 -0.180 0.876 1.00 0.46 C ATOM 2185 C LEU A 133 0.820 0.126 -0.055 1.00 0.41 C ATOM 2186 O LEU A 133 1.943 0.381 0.382 1.00 0.52 O ATOM 2187 CB LEU A 133 -1.239 1.052 1.187 1.00 0.53 C ATOM 2188 CG LEU A 133 -0.526 2.398 1.455 1.00 0.71 C ATOM 2189 CD1 LEU A 133 -1.571 3.513 1.603 1.00 1.83 C ATOM 2190 CD2 LEU A 133 0.341 2.379 2.719 1.00 1.64 C ATOM 0 H LEU A 133 0.835 -0.321 2.591 1.00 0.57 H new ATOM 0 HA LEU A 133 -0.998 -0.871 0.334 1.00 0.46 H new ATOM 0 HB2 LEU A 133 -1.922 1.195 0.349 1.00 0.53 H new ATOM 0 HB3 LEU A 133 -1.849 0.816 2.059 1.00 0.53 H new ATOM 0 HG LEU A 133 0.130 2.576 0.603 1.00 0.71 H new ATOM 0 HD11 LEU A 133 -1.067 4.461 1.792 1.00 1.83 H new ATOM 0 HD12 LEU A 133 -2.155 3.589 0.686 1.00 1.83 H new ATOM 0 HD13 LEU A 133 -2.234 3.282 2.437 1.00 1.83 H new ATOM 0 HD21 LEU A 133 0.814 3.352 2.851 1.00 1.64 H new ATOM 0 HD22 LEU A 133 -0.283 2.159 3.585 1.00 1.64 H new ATOM 0 HD23 LEU A 133 1.110 1.613 2.621 1.00 1.64 H new ATOM 2202 N SER A 134 0.548 0.110 -1.353 1.00 0.35 N ATOM 2203 CA SER A 134 1.540 0.378 -2.394 1.00 0.41 C ATOM 2204 C SER A 134 0.933 1.237 -3.499 1.00 0.49 C ATOM 2205 O SER A 134 -0.116 0.896 -4.048 1.00 0.65 O ATOM 2206 CB SER A 134 2.062 -0.933 -3.000 1.00 0.51 C ATOM 2207 OG SER A 134 2.741 -1.723 -2.037 1.00 1.70 O ATOM 0 H SER A 134 -0.381 -0.092 -1.721 1.00 0.35 H new ATOM 0 HA SER A 134 2.371 0.913 -1.934 1.00 0.41 H new ATOM 0 HB2 SER A 134 1.228 -1.500 -3.413 1.00 0.51 H new ATOM 0 HB3 SER A 134 2.736 -0.709 -3.827 1.00 0.51 H new ATOM 0 HG SER A 134 3.044 -2.557 -2.453 1.00 1.70 H new ATOM 2213 N PHE A 135 1.595 2.339 -3.855 1.00 0.46 N ATOM 2214 CA PHE A 135 1.248 3.117 -5.038 1.00 0.48 C ATOM 2215 C PHE A 135 2.196 2.771 -6.189 1.00 0.45 C ATOM 2216 O PHE A 135 3.413 2.687 -6.014 1.00 0.44 O ATOM 2217 CB PHE A 135 1.261 4.625 -4.751 1.00 0.52 C ATOM 2218 CG PHE A 135 0.601 5.098 -3.468 1.00 0.59 C ATOM 2219 CD1 PHE A 135 -0.670 4.609 -3.104 1.00 1.66 C ATOM 2220 CD2 PHE A 135 1.233 6.071 -2.663 1.00 1.81 C ATOM 2221 CE1 PHE A 135 -1.298 5.072 -1.936 1.00 1.75 C ATOM 2222 CE2 PHE A 135 0.599 6.537 -1.499 1.00 1.86 C ATOM 2223 CZ PHE A 135 -0.662 6.034 -1.135 1.00 0.91 C ATOM 0 H PHE A 135 2.385 2.714 -3.330 1.00 0.46 H new ATOM 0 HA PHE A 135 0.230 2.855 -5.328 1.00 0.48 H new ATOM 0 HB2 PHE A 135 2.299 4.956 -4.738 1.00 0.52 H new ATOM 0 HB3 PHE A 135 0.776 5.131 -5.586 1.00 0.52 H new ATOM 0 HD1 PHE A 135 -1.163 3.876 -3.725 1.00 1.66 H new ATOM 0 HD2 PHE A 135 2.203 6.456 -2.942 1.00 1.81 H new ATOM 0 HE1 PHE A 135 -2.268 4.689 -1.655 1.00 1.75 H new ATOM 0 HE2 PHE A 135 1.081 7.282 -0.884 1.00 1.86 H new ATOM 0 HZ PHE A 135 -1.144 6.389 -0.236 1.00 0.91 H new ATOM 2233 N SER A 136 1.625 2.617 -7.374 1.00 0.45 N ATOM 2234 CA SER A 136 2.319 2.628 -8.661 1.00 0.41 C ATOM 2235 C SER A 136 2.287 4.049 -9.259 1.00 0.46 C ATOM 2236 O SER A 136 1.461 4.862 -8.850 1.00 0.68 O ATOM 2237 CB SER A 136 1.583 1.655 -9.588 1.00 0.49 C ATOM 2238 OG SER A 136 2.165 1.641 -10.870 1.00 1.69 O ATOM 0 H SER A 136 0.620 2.474 -7.473 1.00 0.45 H new ATOM 0 HA SER A 136 3.361 2.330 -8.541 1.00 0.41 H new ATOM 0 HB2 SER A 136 1.609 0.652 -9.162 1.00 0.49 H new ATOM 0 HB3 SER A 136 0.534 1.942 -9.664 1.00 0.49 H new ATOM 0 HG SER A 136 1.531 2.007 -11.521 1.00 1.69 H new ATOM 2244 N ARG A 137 3.138 4.340 -10.249 1.00 0.41 N ATOM 2245 CA ARG A 137 3.105 5.518 -11.127 1.00 0.44 C ATOM 2246 C ARG A 137 3.527 5.131 -12.552 1.00 0.49 C ATOM 2247 O ARG A 137 4.335 4.220 -12.749 1.00 0.61 O ATOM 2248 CB ARG A 137 4.020 6.659 -10.663 1.00 0.67 C ATOM 2249 CG ARG A 137 3.702 7.294 -9.312 1.00 1.93 C ATOM 2250 CD ARG A 137 4.741 8.352 -8.921 1.00 1.96 C ATOM 2251 NE ARG A 137 6.052 7.736 -8.654 1.00 2.96 N ATOM 2252 CZ ARG A 137 6.388 7.071 -7.558 1.00 4.32 C ATOM 2253 NH1 ARG A 137 5.588 7.017 -6.511 1.00 4.70 N ATOM 2254 NH2 ARG A 137 7.542 6.445 -7.508 1.00 6.01 N ATOM 0 H ARG A 137 3.917 3.721 -10.474 1.00 0.41 H new ATOM 0 HA ARG A 137 2.076 5.875 -11.095 1.00 0.44 H new ATOM 0 HB2 ARG A 137 5.042 6.281 -10.628 1.00 0.67 H new ATOM 0 HB3 ARG A 137 3.995 7.443 -11.420 1.00 0.67 H new ATOM 0 HG2 ARG A 137 2.713 7.752 -9.349 1.00 1.93 H new ATOM 0 HG3 ARG A 137 3.666 6.520 -8.546 1.00 1.93 H new ATOM 0 HD2 ARG A 137 4.837 9.085 -9.722 1.00 1.96 H new ATOM 0 HD3 ARG A 137 4.401 8.890 -8.036 1.00 1.96 H new ATOM 0 HE ARG A 137 6.765 7.830 -9.377 1.00 2.96 H new ATOM 0 HH11 ARG A 137 4.687 7.494 -6.533 1.00 4.70 H new ATOM 0 HH12 ARG A 137 5.871 6.498 -5.680 1.00 4.70 H new ATOM 0 HH21 ARG A 137 8.172 6.473 -8.309 1.00 6.01 H new ATOM 0 HH22 ARG A 137 7.807 5.931 -6.668 1.00 6.01 H new ATOM 2268 N CYS A 138 3.020 5.860 -13.548 1.00 0.51 N ATOM 2269 CA CYS A 138 3.452 5.795 -14.951 1.00 0.59 C ATOM 2270 C CYS A 138 4.835 6.435 -15.189 1.00 0.68 C ATOM 2271 O CYS A 138 5.508 6.095 -16.160 1.00 0.84 O ATOM 2272 CB CYS A 138 2.355 6.422 -15.830 1.00 0.69 C ATOM 2273 SG CYS A 138 2.118 8.189 -15.461 1.00 2.21 S ATOM 0 H CYS A 138 2.271 6.536 -13.398 1.00 0.51 H new ATOM 0 HA CYS A 138 3.585 4.749 -15.228 1.00 0.59 H new ATOM 0 HB2 CYS A 138 2.619 6.303 -16.881 1.00 0.69 H new ATOM 0 HB3 CYS A 138 1.417 5.890 -15.675 1.00 0.69 H new ATOM 0 HG CYS A 138 1.608 8.319 -14.273 1.00 2.21 H new ATOM 2279 N SER A 139 5.291 7.315 -14.298 1.00 0.67 N ATOM 2280 CA SER A 139 6.646 7.877 -14.281 1.00 0.76 C ATOM 2281 C SER A 139 7.679 6.831 -13.816 1.00 0.67 C ATOM 2282 O SER A 139 7.760 6.504 -12.633 1.00 0.68 O ATOM 2283 CB SER A 139 6.691 9.145 -13.395 1.00 0.88 C ATOM 2284 OG SER A 139 5.651 9.186 -12.418 1.00 1.56 O ATOM 0 H SER A 139 4.708 7.670 -13.540 1.00 0.67 H new ATOM 0 HA SER A 139 6.911 8.163 -15.299 1.00 0.76 H new ATOM 0 HB2 SER A 139 7.656 9.194 -12.891 1.00 0.88 H new ATOM 0 HB3 SER A 139 6.618 10.027 -14.031 1.00 0.88 H new ATOM 0 HG SER A 139 4.823 9.504 -12.835 1.00 1.56 H new ATOM 2290 N ALA A 140 8.518 6.343 -14.741 1.00 0.82 N ATOM 2291 CA ALA A 140 9.593 5.349 -14.542 1.00 0.89 C ATOM 2292 C ALA A 140 10.809 5.863 -13.731 1.00 0.89 C ATOM 2293 O ALA A 140 11.889 5.268 -13.763 1.00 0.96 O ATOM 2294 CB ALA A 140 10.003 4.862 -15.940 1.00 1.08 C ATOM 0 H ALA A 140 8.464 6.649 -15.712 1.00 0.82 H new ATOM 0 HA ALA A 140 9.210 4.536 -13.925 1.00 0.89 H new ATOM 0 HB1 ALA A 140 10.798 4.122 -15.849 1.00 1.08 H new ATOM 0 HB2 ALA A 140 9.143 4.411 -16.435 1.00 1.08 H new ATOM 0 HB3 ALA A 140 10.359 5.707 -16.530 1.00 1.08 H new ATOM 2300 N ARG A 141 10.653 6.997 -13.045 1.00 0.87 N ATOM 2301 CA ARG A 141 11.719 7.812 -12.469 1.00 0.87 C ATOM 2302 C ARG A 141 12.296 7.246 -11.163 1.00 0.80 C ATOM 2303 O ARG A 141 11.579 6.711 -10.316 1.00 0.82 O ATOM 2304 CB ARG A 141 11.171 9.241 -12.285 1.00 0.89 C ATOM 2305 CG ARG A 141 11.585 10.194 -13.415 1.00 1.27 C ATOM 2306 CD ARG A 141 11.224 9.754 -14.846 1.00 1.73 C ATOM 2307 NE ARG A 141 12.022 10.478 -15.854 1.00 3.05 N ATOM 2308 CZ ARG A 141 11.939 11.761 -16.194 1.00 3.34 C ATOM 2309 NH1 ARG A 141 11.055 12.577 -15.658 1.00 3.47 N ATOM 2310 NH2 ARG A 141 12.766 12.247 -17.094 1.00 4.61 N ATOM 0 H ARG A 141 9.729 7.391 -12.868 1.00 0.87 H new ATOM 0 HA ARG A 141 12.566 7.812 -13.155 1.00 0.87 H new ATOM 0 HB2 ARG A 141 10.083 9.202 -12.230 1.00 0.89 H new ATOM 0 HB3 ARG A 141 11.524 9.640 -11.334 1.00 0.89 H new ATOM 0 HG2 ARG A 141 11.125 11.165 -13.229 1.00 1.27 H new ATOM 0 HG3 ARG A 141 12.664 10.337 -13.363 1.00 1.27 H new ATOM 0 HD2 ARG A 141 11.391 8.682 -14.951 1.00 1.73 H new ATOM 0 HD3 ARG A 141 10.163 9.931 -15.025 1.00 1.73 H new ATOM 0 HE ARG A 141 12.723 9.927 -16.350 1.00 3.05 H new ATOM 0 HH11 ARG A 141 10.402 12.231 -14.955 1.00 3.47 H new ATOM 0 HH12 ARG A 141 11.023 13.555 -15.946 1.00 3.47 H new ATOM 0 HH21 ARG A 141 13.464 11.641 -17.525 1.00 4.61 H new ATOM 0 HH22 ARG A 141 12.709 13.230 -17.361 1.00 4.61 H new ATOM 2324 N GLU A 142 13.611 7.402 -11.013 1.00 0.86 N ATOM 2325 CA GLU A 142 14.407 7.004 -9.844 1.00 0.78 C ATOM 2326 C GLU A 142 14.018 7.811 -8.588 1.00 0.66 C ATOM 2327 O GLU A 142 13.585 8.962 -8.686 1.00 0.77 O ATOM 2328 CB GLU A 142 15.896 7.189 -10.197 1.00 0.97 C ATOM 2329 CG GLU A 142 16.870 6.509 -9.225 1.00 1.49 C ATOM 2330 CD GLU A 142 18.333 6.760 -9.631 1.00 2.25 C ATOM 2331 OE1 GLU A 142 18.733 6.382 -10.758 1.00 2.78 O ATOM 2332 OE2 GLU A 142 19.101 7.329 -8.819 1.00 3.33 O ATOM 0 H GLU A 142 14.183 7.832 -11.740 1.00 0.86 H new ATOM 0 HA GLU A 142 14.210 5.959 -9.603 1.00 0.78 H new ATOM 0 HB2 GLU A 142 16.070 6.797 -11.199 1.00 0.97 H new ATOM 0 HB3 GLU A 142 16.119 8.255 -10.228 1.00 0.97 H new ATOM 0 HG2 GLU A 142 16.701 6.884 -8.216 1.00 1.49 H new ATOM 0 HG3 GLU A 142 16.676 5.437 -9.203 1.00 1.49 H new ATOM 2339 N ILE A 143 14.181 7.217 -7.400 1.00 0.71 N ATOM 2340 CA ILE A 143 13.821 7.818 -6.102 1.00 0.78 C ATOM 2341 C ILE A 143 15.071 7.984 -5.202 1.00 0.77 C ATOM 2342 O ILE A 143 15.835 7.020 -5.075 1.00 0.80 O ATOM 2343 CB ILE A 143 12.770 6.933 -5.389 1.00 0.94 C ATOM 2344 CG1 ILE A 143 11.516 6.672 -6.260 1.00 0.91 C ATOM 2345 CG2 ILE A 143 12.365 7.577 -4.053 1.00 1.45 C ATOM 2346 CD1 ILE A 143 10.453 5.812 -5.561 1.00 1.26 C ATOM 0 H ILE A 143 14.577 6.281 -7.308 1.00 0.71 H new ATOM 0 HA ILE A 143 13.399 8.806 -6.285 1.00 0.78 H new ATOM 0 HB ILE A 143 13.235 5.964 -5.208 1.00 0.94 H new ATOM 0 HG12 ILE A 143 11.072 7.628 -6.540 1.00 0.91 H new ATOM 0 HG13 ILE A 143 11.821 6.179 -7.183 1.00 0.91 H new ATOM 0 HG21 ILE A 143 11.625 6.949 -3.556 1.00 1.45 H new ATOM 0 HG22 ILE A 143 13.244 7.676 -3.416 1.00 1.45 H new ATOM 0 HG23 ILE A 143 11.939 8.563 -4.239 1.00 1.45 H new ATOM 0 HD11 ILE A 143 9.603 5.670 -6.229 1.00 1.26 H new ATOM 0 HD12 ILE A 143 10.880 4.842 -5.305 1.00 1.26 H new ATOM 0 HD13 ILE A 143 10.120 6.313 -4.652 1.00 1.26 H new ATOM 2358 N PRO A 144 15.263 9.148 -4.537 1.00 0.85 N ATOM 2359 CA PRO A 144 16.259 9.338 -3.484 1.00 0.91 C ATOM 2360 C PRO A 144 15.753 8.796 -2.130 1.00 0.89 C ATOM 2361 O PRO A 144 16.072 7.668 -1.761 1.00 1.61 O ATOM 2362 CB PRO A 144 16.566 10.842 -3.501 1.00 1.16 C ATOM 2363 CG PRO A 144 15.265 11.490 -3.981 1.00 1.16 C ATOM 2364 CD PRO A 144 14.620 10.419 -4.861 1.00 1.01 C ATOM 0 HA PRO A 144 17.176 8.773 -3.649 1.00 0.91 H new ATOM 0 HB2 PRO A 144 16.847 11.201 -2.511 1.00 1.16 H new ATOM 0 HB3 PRO A 144 17.395 11.071 -4.171 1.00 1.16 H new ATOM 0 HG2 PRO A 144 14.621 11.760 -3.144 1.00 1.16 H new ATOM 0 HG3 PRO A 144 15.458 12.404 -4.542 1.00 1.16 H new ATOM 0 HD2 PRO A 144 13.547 10.365 -4.677 1.00 1.01 H new ATOM 0 HD3 PRO A 144 14.751 10.658 -5.916 1.00 1.01 H new ATOM 2372 N ILE A 145 14.984 9.592 -1.377 1.00 0.75 N ATOM 2373 CA ILE A 145 14.564 9.330 0.019 1.00 0.76 C ATOM 2374 C ILE A 145 13.130 8.776 0.149 1.00 0.93 C ATOM 2375 O ILE A 145 12.768 8.322 1.231 1.00 1.59 O ATOM 2376 CB ILE A 145 14.871 10.607 0.862 1.00 0.76 C ATOM 2377 CG1 ILE A 145 14.481 10.537 2.362 1.00 0.85 C ATOM 2378 CG2 ILE A 145 14.387 11.931 0.239 1.00 0.81 C ATOM 2379 CD1 ILE A 145 13.072 11.035 2.749 1.00 0.99 C ATOM 0 H ILE A 145 14.618 10.475 -1.732 1.00 0.75 H new ATOM 0 HA ILE A 145 15.146 8.506 0.431 1.00 0.76 H new ATOM 0 HB ILE A 145 15.961 10.613 0.830 1.00 0.76 H new ATOM 0 HG12 ILE A 145 14.574 9.501 2.687 1.00 0.85 H new ATOM 0 HG13 ILE A 145 15.211 11.116 2.928 1.00 0.85 H new ATOM 0 HG21 ILE A 145 14.646 12.759 0.898 1.00 0.81 H new ATOM 0 HG22 ILE A 145 14.866 12.074 -0.729 1.00 0.81 H new ATOM 0 HG23 ILE A 145 13.306 11.897 0.107 1.00 0.81 H new ATOM 0 HD11 ILE A 145 12.932 10.930 3.825 1.00 0.99 H new ATOM 0 HD12 ILE A 145 12.967 12.084 2.470 1.00 0.99 H new ATOM 0 HD13 ILE A 145 12.321 10.444 2.226 1.00 0.99 H new ATOM 2391 N LEU A 146 12.358 8.816 -0.952 1.00 0.81 N ATOM 2392 CA LEU A 146 10.885 8.693 -1.151 1.00 0.94 C ATOM 2393 C LEU A 146 10.301 10.104 -1.425 1.00 0.98 C ATOM 2394 O LEU A 146 9.287 10.237 -2.098 1.00 1.27 O ATOM 2395 CB LEU A 146 10.159 7.920 -0.013 1.00 1.16 C ATOM 2396 CG LEU A 146 8.985 6.998 -0.405 1.00 0.99 C ATOM 2397 CD1 LEU A 146 8.377 6.370 0.858 1.00 2.09 C ATOM 2398 CD2 LEU A 146 7.870 7.689 -1.180 1.00 1.83 C ATOM 0 H LEU A 146 12.809 8.955 -1.856 1.00 0.81 H new ATOM 0 HA LEU A 146 10.702 8.066 -2.023 1.00 0.94 H new ATOM 0 HB2 LEU A 146 10.901 7.314 0.507 1.00 1.16 H new ATOM 0 HB3 LEU A 146 9.786 8.652 0.704 1.00 1.16 H new ATOM 0 HG LEU A 146 9.414 6.247 -1.069 1.00 0.99 H new ATOM 0 HD11 LEU A 146 7.548 5.720 0.578 1.00 2.09 H new ATOM 0 HD12 LEU A 146 9.138 5.786 1.376 1.00 2.09 H new ATOM 0 HD13 LEU A 146 8.013 7.158 1.517 1.00 2.09 H new ATOM 0 HD21 LEU A 146 7.088 6.967 -1.414 1.00 1.83 H new ATOM 0 HD22 LEU A 146 7.452 8.494 -0.576 1.00 1.83 H new ATOM 0 HD23 LEU A 146 8.272 8.101 -2.106 1.00 1.83 H new ATOM 2410 N SER A 147 11.006 11.132 -0.939 1.00 0.83 N ATOM 2411 CA SER A 147 10.734 12.587 -0.919 1.00 0.81 C ATOM 2412 C SER A 147 10.095 12.913 0.430 1.00 0.72 C ATOM 2413 O SER A 147 9.070 12.335 0.768 1.00 0.66 O ATOM 2414 CB SER A 147 9.873 13.128 -2.071 1.00 0.85 C ATOM 2415 OG SER A 147 10.527 12.955 -3.325 1.00 1.43 O ATOM 0 H SER A 147 11.902 10.944 -0.489 1.00 0.83 H new ATOM 0 HA SER A 147 11.691 13.089 -1.063 1.00 0.81 H new ATOM 0 HB2 SER A 147 8.912 12.613 -2.084 1.00 0.85 H new ATOM 0 HB3 SER A 147 9.665 14.186 -1.908 1.00 0.85 H new ATOM 0 HG SER A 147 9.958 13.306 -4.042 1.00 1.43 H new ATOM 2421 N ASP A 148 10.695 13.789 1.238 1.00 0.77 N ATOM 2422 CA ASP A 148 10.397 13.896 2.677 1.00 0.78 C ATOM 2423 C ASP A 148 8.917 14.151 3.015 1.00 0.74 C ATOM 2424 O ASP A 148 8.404 13.553 3.960 1.00 0.75 O ATOM 2425 CB ASP A 148 11.315 14.944 3.327 1.00 0.88 C ATOM 2426 CG ASP A 148 11.352 16.283 2.572 1.00 1.96 C ATOM 2427 OD1 ASP A 148 10.475 17.144 2.816 1.00 3.04 O ATOM 2428 OD2 ASP A 148 12.266 16.462 1.731 1.00 3.19 O ATOM 0 H ASP A 148 11.404 14.448 0.917 1.00 0.77 H new ATOM 0 HA ASP A 148 10.603 12.913 3.101 1.00 0.78 H new ATOM 0 HB2 ASP A 148 10.982 15.122 4.350 1.00 0.88 H new ATOM 0 HB3 ASP A 148 12.326 14.542 3.386 1.00 0.88 H new ATOM 2433 N GLU A 149 8.200 14.956 2.226 1.00 0.76 N ATOM 2434 CA GLU A 149 6.762 15.156 2.430 1.00 0.80 C ATOM 2435 C GLU A 149 5.926 13.947 1.976 1.00 0.71 C ATOM 2436 O GLU A 149 4.936 13.635 2.634 1.00 0.77 O ATOM 2437 CB GLU A 149 6.270 16.473 1.808 1.00 0.98 C ATOM 2438 CG GLU A 149 6.435 16.597 0.277 1.00 1.80 C ATOM 2439 CD GLU A 149 5.151 16.960 -0.500 1.00 2.27 C ATOM 2440 OE1 GLU A 149 4.163 17.471 0.080 1.00 2.47 O ATOM 2441 OE2 GLU A 149 5.140 16.761 -1.738 1.00 3.48 O ATOM 0 H GLU A 149 8.590 15.479 1.442 1.00 0.76 H new ATOM 0 HA GLU A 149 6.611 15.240 3.506 1.00 0.80 H new ATOM 0 HB2 GLU A 149 5.215 16.596 2.052 1.00 0.98 H new ATOM 0 HB3 GLU A 149 6.804 17.298 2.280 1.00 0.98 H new ATOM 0 HG2 GLU A 149 7.191 17.355 0.070 1.00 1.80 H new ATOM 0 HG3 GLU A 149 6.817 15.652 -0.108 1.00 1.80 H new ATOM 2448 N LEU A 150 6.332 13.218 0.924 1.00 0.66 N ATOM 2449 CA LEU A 150 5.681 11.972 0.491 1.00 0.59 C ATOM 2450 C LEU A 150 5.980 10.841 1.491 1.00 0.52 C ATOM 2451 O LEU A 150 5.091 10.059 1.808 1.00 0.50 O ATOM 2452 CB LEU A 150 6.132 11.598 -0.944 1.00 0.64 C ATOM 2453 CG LEU A 150 5.118 10.797 -1.809 1.00 0.83 C ATOM 2454 CD1 LEU A 150 5.826 10.185 -3.029 1.00 2.11 C ATOM 2455 CD2 LEU A 150 4.376 9.661 -1.095 1.00 1.96 C ATOM 0 H LEU A 150 7.130 13.480 0.345 1.00 0.66 H new ATOM 0 HA LEU A 150 4.602 12.122 0.470 1.00 0.59 H new ATOM 0 HB2 LEU A 150 6.379 12.518 -1.474 1.00 0.64 H new ATOM 0 HB3 LEU A 150 7.051 11.016 -0.871 1.00 0.64 H new ATOM 0 HG LEU A 150 4.369 11.540 -2.081 1.00 0.83 H new ATOM 0 HD11 LEU A 150 5.105 9.627 -3.626 1.00 2.11 H new ATOM 0 HD12 LEU A 150 6.260 10.980 -3.635 1.00 2.11 H new ATOM 0 HD13 LEU A 150 6.616 9.513 -2.692 1.00 2.11 H new ATOM 0 HD21 LEU A 150 3.697 9.174 -1.795 1.00 1.96 H new ATOM 0 HD22 LEU A 150 5.097 8.933 -0.722 1.00 1.96 H new ATOM 0 HD23 LEU A 150 3.806 10.067 -0.260 1.00 1.96 H new ATOM 2467 N GLN A 151 7.198 10.762 2.037 1.00 0.54 N ATOM 2468 CA GLN A 151 7.579 9.739 3.018 1.00 0.53 C ATOM 2469 C GLN A 151 6.731 9.870 4.288 1.00 0.51 C ATOM 2470 O GLN A 151 6.180 8.884 4.775 1.00 0.52 O ATOM 2471 CB GLN A 151 9.112 9.719 3.243 1.00 0.64 C ATOM 2472 CG GLN A 151 9.675 10.317 4.547 1.00 0.86 C ATOM 2473 CD GLN A 151 9.522 9.444 5.800 1.00 1.37 C ATOM 2474 OE1 GLN A 151 9.127 8.286 5.770 1.00 1.81 O ATOM 2475 NE2 GLN A 151 9.866 9.962 6.963 1.00 2.15 N ATOM 0 H GLN A 151 7.952 11.410 1.810 1.00 0.54 H new ATOM 0 HA GLN A 151 7.352 8.748 2.625 1.00 0.53 H new ATOM 0 HB2 GLN A 151 9.441 8.681 3.186 1.00 0.64 H new ATOM 0 HB3 GLN A 151 9.576 10.247 2.410 1.00 0.64 H new ATOM 0 HG2 GLN A 151 10.734 10.528 4.401 1.00 0.86 H new ATOM 0 HG3 GLN A 151 9.182 11.272 4.730 1.00 0.86 H new ATOM 0 HE21 GLN A 151 10.198 10.925 7.014 1.00 2.15 H new ATOM 0 HE22 GLN A 151 9.800 9.400 7.811 1.00 2.15 H new ATOM 2484 N LEU A 152 6.538 11.104 4.761 1.00 0.53 N ATOM 2485 CA LEU A 152 5.697 11.421 5.910 1.00 0.58 C ATOM 2486 C LEU A 152 4.223 11.193 5.573 1.00 0.55 C ATOM 2487 O LEU A 152 3.522 10.583 6.376 1.00 0.59 O ATOM 2488 CB LEU A 152 6.003 12.849 6.401 1.00 0.64 C ATOM 2489 CG LEU A 152 7.401 12.999 7.047 1.00 0.72 C ATOM 2490 CD1 LEU A 152 7.688 14.484 7.309 1.00 0.76 C ATOM 2491 CD2 LEU A 152 7.520 12.225 8.371 1.00 0.88 C ATOM 0 H LEU A 152 6.974 11.927 4.344 1.00 0.53 H new ATOM 0 HA LEU A 152 5.924 10.748 6.737 1.00 0.58 H new ATOM 0 HB2 LEU A 152 5.926 13.537 5.559 1.00 0.64 H new ATOM 0 HB3 LEU A 152 5.244 13.145 7.125 1.00 0.64 H new ATOM 0 HG LEU A 152 8.127 12.582 6.349 1.00 0.72 H new ATOM 0 HD11 LEU A 152 8.673 14.589 7.764 1.00 0.76 H new ATOM 0 HD12 LEU A 152 7.663 15.031 6.367 1.00 0.76 H new ATOM 0 HD13 LEU A 152 6.932 14.887 7.983 1.00 0.76 H new ATOM 0 HD21 LEU A 152 8.519 12.362 8.784 1.00 0.88 H new ATOM 0 HD22 LEU A 152 6.780 12.599 9.079 1.00 0.88 H new ATOM 0 HD23 LEU A 152 7.345 11.165 8.190 1.00 0.88 H new ATOM 2503 N LYS A 153 3.755 11.581 4.379 1.00 0.51 N ATOM 2504 CA LYS A 153 2.414 11.222 3.896 1.00 0.55 C ATOM 2505 C LYS A 153 2.188 9.709 3.899 1.00 0.43 C ATOM 2506 O LYS A 153 1.183 9.264 4.437 1.00 0.41 O ATOM 2507 CB LYS A 153 2.154 11.782 2.479 1.00 0.80 C ATOM 2508 CG LYS A 153 1.117 12.910 2.397 1.00 1.23 C ATOM 2509 CD LYS A 153 1.535 14.214 3.086 1.00 2.16 C ATOM 2510 CE LYS A 153 0.555 15.323 2.680 1.00 2.39 C ATOM 2511 NZ LYS A 153 0.846 16.606 3.369 1.00 3.39 N ATOM 0 H LYS A 153 4.292 12.149 3.724 1.00 0.51 H new ATOM 0 HA LYS A 153 1.707 11.675 4.591 1.00 0.55 H new ATOM 0 HB2 LYS A 153 3.097 12.148 2.073 1.00 0.80 H new ATOM 0 HB3 LYS A 153 1.827 10.964 1.838 1.00 0.80 H new ATOM 0 HG2 LYS A 153 0.910 13.119 1.348 1.00 1.23 H new ATOM 0 HG3 LYS A 153 0.185 12.562 2.843 1.00 1.23 H new ATOM 0 HD2 LYS A 153 1.533 14.086 4.169 1.00 2.16 H new ATOM 0 HD3 LYS A 153 2.551 14.484 2.798 1.00 2.16 H new ATOM 0 HE2 LYS A 153 0.604 15.472 1.601 1.00 2.39 H new ATOM 0 HE3 LYS A 153 -0.463 15.010 2.913 1.00 2.39 H new ATOM 0 HZ1 LYS A 153 0.160 17.326 3.065 1.00 3.39 H new ATOM 0 HZ2 LYS A 153 0.774 16.472 4.398 1.00 3.39 H new ATOM 0 HZ3 LYS A 153 1.808 16.920 3.127 1.00 3.39 H new ATOM 2525 N MET A 154 3.090 8.899 3.343 1.00 0.41 N ATOM 2526 CA MET A 154 2.950 7.434 3.337 1.00 0.37 C ATOM 2527 C MET A 154 3.015 6.825 4.733 1.00 0.40 C ATOM 2528 O MET A 154 2.218 5.939 5.043 1.00 0.42 O ATOM 2529 CB MET A 154 3.965 6.779 2.396 1.00 0.42 C ATOM 2530 CG MET A 154 3.455 6.901 0.960 1.00 1.37 C ATOM 2531 SD MET A 154 4.448 6.032 -0.270 1.00 1.91 S ATOM 2532 CE MET A 154 4.026 4.324 0.148 1.00 0.78 C ATOM 0 H MET A 154 3.937 9.234 2.884 1.00 0.41 H new ATOM 0 HA MET A 154 1.951 7.224 2.956 1.00 0.37 H new ATOM 0 HB2 MET A 154 4.937 7.262 2.494 1.00 0.42 H new ATOM 0 HB3 MET A 154 4.103 5.730 2.660 1.00 0.42 H new ATOM 0 HG2 MET A 154 2.435 6.520 0.918 1.00 1.37 H new ATOM 0 HG3 MET A 154 3.413 7.957 0.693 1.00 1.37 H new ATOM 0 HE1 MET A 154 4.928 3.788 0.444 1.00 0.78 H new ATOM 0 HE2 MET A 154 3.312 4.317 0.972 1.00 0.78 H new ATOM 0 HE3 MET A 154 3.583 3.836 -0.720 1.00 0.78 H new ATOM 2542 N GLN A 155 3.935 7.294 5.575 1.00 0.44 N ATOM 2543 CA GLN A 155 4.073 6.814 6.952 1.00 0.52 C ATOM 2544 C GLN A 155 2.826 7.151 7.784 1.00 0.51 C ATOM 2545 O GLN A 155 2.401 6.353 8.618 1.00 0.60 O ATOM 2546 CB GLN A 155 5.347 7.413 7.573 1.00 0.63 C ATOM 2547 CG GLN A 155 5.774 6.717 8.878 1.00 0.93 C ATOM 2548 CD GLN A 155 6.372 7.706 9.880 1.00 1.65 C ATOM 2549 OE1 GLN A 155 7.569 7.964 9.914 1.00 2.12 O ATOM 2550 NE2 GLN A 155 5.555 8.311 10.721 1.00 3.25 N ATOM 0 H GLN A 155 4.607 8.018 5.323 1.00 0.44 H new ATOM 0 HA GLN A 155 4.163 5.728 6.946 1.00 0.52 H new ATOM 0 HB2 GLN A 155 6.161 7.346 6.851 1.00 0.63 H new ATOM 0 HB3 GLN A 155 5.183 8.472 7.771 1.00 0.63 H new ATOM 0 HG2 GLN A 155 4.912 6.223 9.325 1.00 0.93 H new ATOM 0 HG3 GLN A 155 6.505 5.940 8.653 1.00 0.93 H new ATOM 0 HE21 GLN A 155 4.557 8.103 10.701 1.00 3.25 H new ATOM 0 HE22 GLN A 155 5.922 8.987 11.391 1.00 3.25 H new ATOM 2559 N LEU A 156 2.202 8.302 7.517 1.00 0.48 N ATOM 2560 CA LEU A 156 0.899 8.673 8.052 1.00 0.49 C ATOM 2561 C LEU A 156 -0.192 7.762 7.474 1.00 0.44 C ATOM 2562 O LEU A 156 -0.878 7.077 8.230 1.00 0.45 O ATOM 2563 CB LEU A 156 0.694 10.183 7.779 1.00 0.56 C ATOM 2564 CG LEU A 156 -0.579 10.858 8.324 1.00 0.72 C ATOM 2565 CD1 LEU A 156 -1.808 10.695 7.423 1.00 1.14 C ATOM 2566 CD2 LEU A 156 -0.903 10.399 9.741 1.00 1.76 C ATOM 0 H LEU A 156 2.603 9.015 6.908 1.00 0.48 H new ATOM 0 HA LEU A 156 0.839 8.524 9.130 1.00 0.49 H new ATOM 0 HB2 LEU A 156 1.553 10.714 8.188 1.00 0.56 H new ATOM 0 HB3 LEU A 156 0.712 10.331 6.699 1.00 0.56 H new ATOM 0 HG LEU A 156 -0.342 11.922 8.339 1.00 0.72 H new ATOM 0 HD11 LEU A 156 -2.662 11.198 7.877 1.00 1.14 H new ATOM 0 HD12 LEU A 156 -1.604 11.135 6.447 1.00 1.14 H new ATOM 0 HD13 LEU A 156 -2.033 9.635 7.303 1.00 1.14 H new ATOM 0 HD21 LEU A 156 -1.808 10.899 10.087 1.00 1.76 H new ATOM 0 HD22 LEU A 156 -1.059 9.320 9.747 1.00 1.76 H new ATOM 0 HD23 LEU A 156 -0.074 10.649 10.403 1.00 1.76 H new ATOM 2578 N LEU A 157 -0.322 7.692 6.145 1.00 0.40 N ATOM 2579 CA LEU A 157 -1.372 6.934 5.457 1.00 0.40 C ATOM 2580 C LEU A 157 -1.354 5.466 5.871 1.00 0.41 C ATOM 2581 O LEU A 157 -2.413 4.947 6.197 1.00 0.44 O ATOM 2582 CB LEU A 157 -1.277 7.095 3.920 1.00 0.42 C ATOM 2583 CG LEU A 157 -2.263 8.126 3.327 1.00 0.57 C ATOM 2584 CD1 LEU A 157 -2.058 9.560 3.823 1.00 1.70 C ATOM 2585 CD2 LEU A 157 -2.177 8.115 1.797 1.00 1.66 C ATOM 0 H LEU A 157 0.312 8.170 5.505 1.00 0.40 H new ATOM 0 HA LEU A 157 -2.332 7.349 5.764 1.00 0.40 H new ATOM 0 HB2 LEU A 157 -0.261 7.390 3.659 1.00 0.42 H new ATOM 0 HB3 LEU A 157 -1.457 6.127 3.453 1.00 0.42 H new ATOM 0 HG LEU A 157 -3.249 7.814 3.673 1.00 0.57 H new ATOM 0 HD11 LEU A 157 -2.793 10.215 3.355 1.00 1.70 H new ATOM 0 HD12 LEU A 157 -2.181 9.592 4.906 1.00 1.70 H new ATOM 0 HD13 LEU A 157 -1.054 9.895 3.562 1.00 1.70 H new ATOM 0 HD21 LEU A 157 -2.876 8.845 1.388 1.00 1.66 H new ATOM 0 HD22 LEU A 157 -1.163 8.370 1.488 1.00 1.66 H new ATOM 0 HD23 LEU A 157 -2.431 7.122 1.425 1.00 1.66 H new ATOM 2597 N VAL A 158 -0.190 4.815 5.950 1.00 0.41 N ATOM 2598 CA VAL A 158 -0.108 3.417 6.404 1.00 0.44 C ATOM 2599 C VAL A 158 -0.588 3.243 7.846 1.00 0.44 C ATOM 2600 O VAL A 158 -1.341 2.311 8.105 1.00 0.47 O ATOM 2601 CB VAL A 158 1.278 2.773 6.166 1.00 0.50 C ATOM 2602 CG1 VAL A 158 2.369 3.219 7.147 1.00 0.53 C ATOM 2603 CG2 VAL A 158 1.182 1.238 6.185 1.00 0.58 C ATOM 0 H VAL A 158 0.709 5.230 5.707 1.00 0.41 H new ATOM 0 HA VAL A 158 -0.802 2.864 5.771 1.00 0.44 H new ATOM 0 HB VAL A 158 1.580 3.128 5.181 1.00 0.50 H new ATOM 0 HG11 VAL A 158 3.305 2.716 6.903 1.00 0.53 H new ATOM 0 HG12 VAL A 158 2.506 4.298 7.073 1.00 0.53 H new ATOM 0 HG13 VAL A 158 2.072 2.960 8.163 1.00 0.53 H new ATOM 0 HG21 VAL A 158 2.170 0.810 6.015 1.00 0.58 H new ATOM 0 HG22 VAL A 158 0.805 0.909 7.153 1.00 0.58 H new ATOM 0 HG23 VAL A 158 0.503 0.906 5.400 1.00 0.58 H new ATOM 2613 N ARG A 159 -0.226 4.146 8.768 1.00 0.44 N ATOM 2614 CA ARG A 159 -0.733 4.120 10.147 1.00 0.50 C ATOM 2615 C ARG A 159 -2.257 4.282 10.177 1.00 0.53 C ATOM 2616 O ARG A 159 -2.941 3.457 10.789 1.00 0.59 O ATOM 2617 CB ARG A 159 0.027 5.163 11.009 1.00 0.52 C ATOM 2618 CG ARG A 159 -0.794 6.007 12.002 1.00 1.08 C ATOM 2619 CD ARG A 159 -1.581 5.236 13.082 1.00 1.44 C ATOM 2620 NE ARG A 159 -1.060 5.502 14.431 1.00 2.02 N ATOM 2621 CZ ARG A 159 -1.418 6.531 15.189 1.00 2.85 C ATOM 2622 NH1 ARG A 159 -2.272 7.442 14.770 1.00 3.58 N ATOM 2623 NH2 ARG A 159 -0.911 6.657 16.397 1.00 3.79 N ATOM 0 H ARG A 159 0.423 4.911 8.581 1.00 0.44 H new ATOM 0 HA ARG A 159 -0.537 3.145 10.593 1.00 0.50 H new ATOM 0 HB2 ARG A 159 0.796 4.635 11.573 1.00 0.52 H new ATOM 0 HB3 ARG A 159 0.541 5.846 10.333 1.00 0.52 H new ATOM 0 HG2 ARG A 159 -0.116 6.698 12.503 1.00 1.08 H new ATOM 0 HG3 ARG A 159 -1.500 6.611 11.432 1.00 1.08 H new ATOM 0 HD2 ARG A 159 -2.633 5.518 13.036 1.00 1.44 H new ATOM 0 HD3 ARG A 159 -1.529 4.167 12.876 1.00 1.44 H new ATOM 0 HE ARG A 159 -0.375 4.849 14.811 1.00 2.02 H new ATOM 0 HH11 ARG A 159 -2.679 7.369 13.838 1.00 3.58 H new ATOM 0 HH12 ARG A 159 -2.526 8.221 15.378 1.00 3.58 H new ATOM 0 HH21 ARG A 159 -0.247 5.966 16.746 1.00 3.79 H new ATOM 0 HH22 ARG A 159 -1.182 7.446 16.984 1.00 3.79 H new ATOM 2637 N GLU A 160 -2.795 5.313 9.525 1.00 0.50 N ATOM 2638 CA GLU A 160 -4.203 5.661 9.737 1.00 0.54 C ATOM 2639 C GLU A 160 -5.125 4.769 8.892 1.00 0.58 C ATOM 2640 O GLU A 160 -6.202 4.393 9.348 1.00 0.67 O ATOM 2641 CB GLU A 160 -4.519 7.133 9.458 1.00 0.61 C ATOM 2642 CG GLU A 160 -3.568 8.225 9.963 1.00 1.33 C ATOM 2643 CD GLU A 160 -3.464 8.459 11.478 1.00 1.87 C ATOM 2644 OE1 GLU A 160 -3.631 7.516 12.277 1.00 2.57 O ATOM 2645 OE2 GLU A 160 -3.140 9.596 11.881 1.00 3.05 O ATOM 0 H GLU A 160 -2.296 5.908 8.864 1.00 0.50 H new ATOM 0 HA GLU A 160 -4.389 5.488 10.797 1.00 0.54 H new ATOM 0 HB2 GLU A 160 -4.602 7.249 8.377 1.00 0.61 H new ATOM 0 HB3 GLU A 160 -5.504 7.340 9.878 1.00 0.61 H new ATOM 0 HG2 GLU A 160 -2.569 7.992 9.594 1.00 1.33 H new ATOM 0 HG3 GLU A 160 -3.868 9.166 9.501 1.00 1.33 H new ATOM 2652 N SER A 161 -4.692 4.364 7.693 1.00 0.55 N ATOM 2653 CA SER A 161 -5.385 3.355 6.886 1.00 0.56 C ATOM 2654 C SER A 161 -5.429 2.025 7.627 1.00 0.59 C ATOM 2655 O SER A 161 -6.516 1.476 7.798 1.00 0.64 O ATOM 2656 CB SER A 161 -4.693 3.144 5.533 1.00 0.56 C ATOM 2657 OG SER A 161 -5.332 2.106 4.807 1.00 0.95 O ATOM 0 H SER A 161 -3.847 4.729 7.254 1.00 0.55 H new ATOM 0 HA SER A 161 -6.397 3.720 6.711 1.00 0.56 H new ATOM 0 HB2 SER A 161 -4.718 4.069 4.956 1.00 0.56 H new ATOM 0 HB3 SER A 161 -3.644 2.894 5.689 1.00 0.56 H new ATOM 0 HG SER A 161 -4.791 1.874 4.023 1.00 0.95 H new ATOM 2663 N LEU A 162 -4.282 1.532 8.126 1.00 0.59 N ATOM 2664 CA LEU A 162 -4.231 0.252 8.823 1.00 0.65 C ATOM 2665 C LEU A 162 -5.209 0.257 9.992 1.00 0.64 C ATOM 2666 O LEU A 162 -6.058 -0.621 10.041 1.00 0.71 O ATOM 2667 CB LEU A 162 -2.794 -0.074 9.267 1.00 0.74 C ATOM 2668 CG LEU A 162 -2.655 -1.384 10.070 1.00 1.43 C ATOM 2669 CD1 LEU A 162 -3.196 -2.600 9.309 1.00 2.07 C ATOM 2670 CD2 LEU A 162 -1.177 -1.609 10.406 1.00 2.63 C ATOM 0 H LEU A 162 -3.382 2.007 8.055 1.00 0.59 H new ATOM 0 HA LEU A 162 -4.535 -0.540 8.139 1.00 0.65 H new ATOM 0 HB2 LEU A 162 -2.159 -0.135 8.383 1.00 0.74 H new ATOM 0 HB3 LEU A 162 -2.418 0.751 9.873 1.00 0.74 H new ATOM 0 HG LEU A 162 -3.249 -1.281 10.978 1.00 1.43 H new ATOM 0 HD11 LEU A 162 -3.074 -3.495 9.919 1.00 2.07 H new ATOM 0 HD12 LEU A 162 -4.254 -2.452 9.091 1.00 2.07 H new ATOM 0 HD13 LEU A 162 -2.646 -2.719 8.376 1.00 2.07 H new ATOM 0 HD21 LEU A 162 -1.070 -2.533 10.974 1.00 2.63 H new ATOM 0 HD22 LEU A 162 -0.601 -1.681 9.483 1.00 2.63 H new ATOM 0 HD23 LEU A 162 -0.808 -0.773 11.000 1.00 2.63 H new ATOM 2682 N MET A 163 -5.163 1.253 10.882 1.00 0.62 N ATOM 2683 CA MET A 163 -6.060 1.284 12.042 1.00 0.69 C ATOM 2684 C MET A 163 -7.536 1.419 11.642 1.00 0.67 C ATOM 2685 O MET A 163 -8.376 0.766 12.251 1.00 0.74 O ATOM 2686 CB MET A 163 -5.623 2.336 13.077 1.00 0.82 C ATOM 2687 CG MET A 163 -6.013 3.742 12.631 1.00 1.10 C ATOM 2688 SD MET A 163 -5.564 5.110 13.700 1.00 1.64 S ATOM 2689 CE MET A 163 -6.459 6.342 12.719 1.00 1.34 C ATOM 0 H MET A 163 -4.520 2.043 10.823 1.00 0.62 H new ATOM 0 HA MET A 163 -5.975 0.314 12.532 1.00 0.69 H new ATOM 0 HB2 MET A 163 -6.084 2.116 14.040 1.00 0.82 H new ATOM 0 HB3 MET A 163 -4.544 2.283 13.220 1.00 0.82 H new ATOM 0 HG2 MET A 163 -5.566 3.920 11.653 1.00 1.10 H new ATOM 0 HG3 MET A 163 -7.094 3.763 12.496 1.00 1.10 H new ATOM 0 HE1 MET A 163 -5.923 7.291 12.749 1.00 1.34 H new ATOM 0 HE2 MET A 163 -6.534 6.000 11.687 1.00 1.34 H new ATOM 0 HE3 MET A 163 -7.459 6.478 13.130 1.00 1.34 H new ATOM 2699 N ALA A 164 -7.875 2.255 10.652 1.00 0.62 N ATOM 2700 CA ALA A 164 -9.256 2.478 10.220 1.00 0.65 C ATOM 2701 C ALA A 164 -9.856 1.256 9.517 1.00 0.69 C ATOM 2702 O ALA A 164 -10.990 0.871 9.805 1.00 0.76 O ATOM 2703 CB ALA A 164 -9.293 3.722 9.328 1.00 0.64 C ATOM 0 H ALA A 164 -7.191 2.799 10.126 1.00 0.62 H new ATOM 0 HA ALA A 164 -9.878 2.640 11.100 1.00 0.65 H new ATOM 0 HB1 ALA A 164 -10.316 3.902 8.997 1.00 0.64 H new ATOM 0 HB2 ALA A 164 -8.936 4.584 9.891 1.00 0.64 H new ATOM 0 HB3 ALA A 164 -8.653 3.566 8.460 1.00 0.64 H new ATOM 2709 N LEU A 165 -9.079 0.619 8.636 1.00 0.66 N ATOM 2710 CA LEU A 165 -9.471 -0.592 7.904 1.00 0.73 C ATOM 2711 C LEU A 165 -9.603 -1.741 8.906 1.00 0.78 C ATOM 2712 O LEU A 165 -10.602 -2.459 8.920 1.00 0.82 O ATOM 2713 CB LEU A 165 -8.396 -0.868 6.824 1.00 0.69 C ATOM 2714 CG LEU A 165 -8.758 -1.776 5.631 1.00 0.83 C ATOM 2715 CD1 LEU A 165 -9.422 -3.107 6.004 1.00 1.27 C ATOM 2716 CD2 LEU A 165 -9.616 -1.026 4.601 1.00 1.86 C ATOM 0 H LEU A 165 -8.138 0.937 8.406 1.00 0.66 H new ATOM 0 HA LEU A 165 -10.432 -0.477 7.403 1.00 0.73 H new ATOM 0 HB2 LEU A 165 -8.077 0.094 6.422 1.00 0.69 H new ATOM 0 HB3 LEU A 165 -7.532 -1.307 7.323 1.00 0.69 H new ATOM 0 HG LEU A 165 -7.797 -2.042 5.191 1.00 0.83 H new ATOM 0 HD11 LEU A 165 -9.637 -3.673 5.098 1.00 1.27 H new ATOM 0 HD12 LEU A 165 -8.750 -3.683 6.640 1.00 1.27 H new ATOM 0 HD13 LEU A 165 -10.351 -2.913 6.540 1.00 1.27 H new ATOM 0 HD21 LEU A 165 -9.855 -1.692 3.772 1.00 1.86 H new ATOM 0 HD22 LEU A 165 -10.539 -0.689 5.073 1.00 1.86 H new ATOM 0 HD23 LEU A 165 -9.064 -0.164 4.226 1.00 1.86 H new ATOM 2728 N MET A 166 -8.637 -1.843 9.821 1.00 0.78 N ATOM 2729 CA MET A 166 -8.641 -2.800 10.922 1.00 0.85 C ATOM 2730 C MET A 166 -9.845 -2.592 11.838 1.00 0.84 C ATOM 2731 O MET A 166 -10.488 -3.570 12.190 1.00 0.84 O ATOM 2732 CB MET A 166 -7.322 -2.665 11.686 1.00 0.93 C ATOM 2733 CG MET A 166 -7.104 -3.680 12.796 1.00 1.49 C ATOM 2734 SD MET A 166 -6.396 -5.240 12.243 1.00 2.12 S ATOM 2735 CE MET A 166 -7.829 -6.154 11.658 1.00 1.81 C ATOM 0 H MET A 166 -7.810 -1.246 9.814 1.00 0.78 H new ATOM 0 HA MET A 166 -8.729 -3.812 10.526 1.00 0.85 H new ATOM 0 HB2 MET A 166 -6.500 -2.747 10.975 1.00 0.93 H new ATOM 0 HB3 MET A 166 -7.272 -1.665 12.117 1.00 0.93 H new ATOM 0 HG2 MET A 166 -6.448 -3.243 13.549 1.00 1.49 H new ATOM 0 HG3 MET A 166 -8.059 -3.880 13.283 1.00 1.49 H new ATOM 0 HE1 MET A 166 -7.699 -7.214 11.877 1.00 1.81 H new ATOM 0 HE2 MET A 166 -8.724 -5.787 12.160 1.00 1.81 H new ATOM 0 HE3 MET A 166 -7.934 -6.016 10.582 1.00 1.81 H new ATOM 2745 N ARG A 167 -10.213 -1.355 12.191 1.00 0.85 N ATOM 2746 CA ARG A 167 -11.422 -1.084 12.982 1.00 0.87 C ATOM 2747 C ARG A 167 -12.737 -1.466 12.297 1.00 0.86 C ATOM 2748 O ARG A 167 -13.739 -1.707 12.973 1.00 0.91 O ATOM 2749 CB ARG A 167 -11.463 0.378 13.473 1.00 0.92 C ATOM 2750 CG ARG A 167 -11.002 0.523 14.931 1.00 1.06 C ATOM 2751 CD ARG A 167 -11.821 -0.400 15.850 1.00 1.63 C ATOM 2752 NE ARG A 167 -11.812 -0.006 17.262 1.00 1.94 N ATOM 2753 CZ ARG A 167 -12.285 -0.769 18.242 1.00 2.97 C ATOM 2754 NH1 ARG A 167 -12.690 -2.009 18.032 1.00 3.98 N ATOM 2755 NH2 ARG A 167 -12.366 -0.283 19.462 1.00 3.62 N ATOM 0 H ARG A 167 -9.687 -0.518 11.939 1.00 0.85 H new ATOM 0 HA ARG A 167 -11.341 -1.747 13.843 1.00 0.87 H new ATOM 0 HB2 ARG A 167 -10.829 0.991 12.832 1.00 0.92 H new ATOM 0 HB3 ARG A 167 -12.479 0.762 13.377 1.00 0.92 H new ATOM 0 HG2 ARG A 167 -9.943 0.277 15.010 1.00 1.06 H new ATOM 0 HG3 ARG A 167 -11.114 1.558 15.253 1.00 1.06 H new ATOM 0 HD2 ARG A 167 -12.852 -0.423 15.498 1.00 1.63 H new ATOM 0 HD3 ARG A 167 -11.433 -1.415 15.765 1.00 1.63 H new ATOM 0 HE ARG A 167 -11.421 0.904 17.506 1.00 1.94 H new ATOM 0 HH11 ARG A 167 -12.645 -2.408 17.095 1.00 3.98 H new ATOM 0 HH12 ARG A 167 -13.048 -2.567 18.807 1.00 3.98 H new ATOM 0 HH21 ARG A 167 -12.067 0.674 19.651 1.00 3.62 H new ATOM 0 HH22 ARG A 167 -12.728 -0.863 20.219 1.00 3.62 H new ATOM 2769 N LEU A 168 -12.739 -1.519 10.967 1.00 0.85 N ATOM 2770 CA LEU A 168 -13.886 -1.918 10.148 1.00 0.89 C ATOM 2771 C LEU A 168 -13.960 -3.436 9.894 1.00 0.94 C ATOM 2772 O LEU A 168 -15.040 -3.933 9.573 1.00 1.15 O ATOM 2773 CB LEU A 168 -13.855 -1.074 8.855 1.00 0.87 C ATOM 2774 CG LEU A 168 -15.050 -0.098 8.791 1.00 0.83 C ATOM 2775 CD1 LEU A 168 -14.659 1.193 8.063 1.00 1.96 C ATOM 2776 CD2 LEU A 168 -16.247 -0.788 8.126 1.00 1.68 C ATOM 0 H LEU A 168 -11.919 -1.279 10.411 1.00 0.85 H new ATOM 0 HA LEU A 168 -14.810 -1.715 10.690 1.00 0.89 H new ATOM 0 HB2 LEU A 168 -12.922 -0.513 8.807 1.00 0.87 H new ATOM 0 HB3 LEU A 168 -13.875 -1.734 7.987 1.00 0.87 H new ATOM 0 HG LEU A 168 -15.340 0.182 9.804 1.00 0.83 H new ATOM 0 HD11 LEU A 168 -15.516 1.866 8.030 1.00 1.96 H new ATOM 0 HD12 LEU A 168 -13.839 1.676 8.594 1.00 1.96 H new ATOM 0 HD13 LEU A 168 -14.344 0.956 7.047 1.00 1.96 H new ATOM 0 HD21 LEU A 168 -17.088 -0.096 8.083 1.00 1.68 H new ATOM 0 HD22 LEU A 168 -15.976 -1.093 7.115 1.00 1.68 H new ATOM 0 HD23 LEU A 168 -16.529 -1.666 8.707 1.00 1.68 H new ATOM 2788 N ASN A 169 -12.856 -4.175 10.067 1.00 0.86 N ATOM 2789 CA ASN A 169 -12.796 -5.633 9.872 1.00 0.93 C ATOM 2790 C ASN A 169 -12.631 -6.439 11.187 1.00 0.99 C ATOM 2791 O ASN A 169 -13.279 -7.469 11.367 1.00 1.08 O ATOM 2792 CB ASN A 169 -11.659 -5.930 8.876 1.00 1.08 C ATOM 2793 CG ASN A 169 -11.953 -7.178 8.049 1.00 1.35 C ATOM 2794 OD1 ASN A 169 -12.826 -7.179 7.188 1.00 2.05 O ATOM 2795 ND2 ASN A 169 -11.253 -8.272 8.271 1.00 1.68 N ATOM 0 H ASN A 169 -11.963 -3.771 10.351 1.00 0.86 H new ATOM 0 HA ASN A 169 -13.755 -5.965 9.474 1.00 0.93 H new ATOM 0 HB2 ASN A 169 -11.523 -5.076 8.212 1.00 1.08 H new ATOM 0 HB3 ASN A 169 -10.724 -6.064 9.419 1.00 1.08 H new ATOM 0 HD21 ASN A 169 -11.438 -9.115 7.728 1.00 1.68 H new ATOM 0 HD22 ASN A 169 -10.526 -8.276 8.986 1.00 1.68 H new