USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 855 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 80 HIS : no HD1:sc= -0.251 K(o=0.2,f=-10!) USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.791 K(o=0.2,f=-5.9!) USER MOD Set 1.3: A 145 SER OG : rot 83:sc= 1.24 USER MOD Set 2.1: A 104 SER OG : rot 83:sc= 1.64 USER MOD Set 2.2: A 111 GLN : amide:sc= 1.03 K(o=3.9,f=-1.9!) USER MOD Set 2.3: A 113 TYR OH : rot -2:sc= 1.21 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 108 THR OG1 : rot -170:sc= -0.445 USER MOD Set 4.1: A 71 ASN : amide:sc= 0.554 K(o=0.62,f=-0.51) USER MOD Set 4.2: A 75 GLN : amide:sc= 0.07 K(o=0.62,f=-0.068) USER MOD Set 5.1: A 61 THR OG1 : rot 144:sc= 1.17 USER MOD Set 5.2: A 64 GLN : amide:sc= 0.999 K(o=2.2,f=1.2) USER MOD Single : A 44 GLN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 2.11 (180deg=2.08) USER MOD Single : A 66 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5.9!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.34 USER MOD Single : A 70 SER OG : rot 145:sc= 0.0409 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -122:sc= 0.418 USER MOD Single : A 89 ASN : amide:sc= -3.21! C(o=-3.2!,f=-4.1!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.432 X(o=0.43,f=0) USER MOD Single : A 115 ASN : amide:sc= -0.0329 K(o=-0.033,f=-0.85) USER MOD Single : A 122 CYS SG : rot -27:sc= -1.97 USER MOD Single : A 127 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.14) USER MOD Single : A 128 MET CE :methyl -118:sc= -0.61 (180deg=-1.05) USER MOD Single : A 130 GLN : amide:sc= 0.0719 X(o=0.072,f=0) USER MOD Single : A 131 ASN : amide:sc= 0.146 K(o=0.15,f=-8.5!) USER MOD Single : A 139 LYS NZ :NH3+ 164:sc= 1.19 (180deg=0.186) USER MOD Single : A 140 LYS NZ :NH3+ 179:sc= 0.884 (180deg=0.877) USER MOD Single : A 144 HIS : no HD1:sc=-0.00518 X(o=-0.0052,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.505 -3.169 -17.231 1.00 0.99 N ATOM 129 CA ALA A 42 -2.086 -2.209 -16.305 1.00 0.90 C ATOM 130 C ALA A 42 -3.586 -2.400 -16.027 1.00 0.85 C ATOM 131 O ALA A 42 -4.043 -2.085 -14.934 1.00 0.85 O ATOM 132 CB ALA A 42 -1.823 -0.826 -16.897 1.00 1.07 C ATOM 0 HA ALA A 42 -1.619 -2.349 -15.330 1.00 0.90 H new ATOM 0 HB1 ALA A 42 -2.240 -0.063 -16.239 1.00 1.07 H new ATOM 0 HB2 ALA A 42 -0.749 -0.671 -16.997 1.00 1.07 H new ATOM 0 HB3 ALA A 42 -2.292 -0.755 -17.878 1.00 1.07 H new ATOM 138 N GLU A 43 -4.365 -2.937 -16.967 1.00 0.88 N ATOM 139 CA GLU A 43 -5.774 -3.291 -16.749 1.00 0.87 C ATOM 140 C GLU A 43 -5.959 -4.497 -15.802 1.00 0.75 C ATOM 141 O GLU A 43 -6.943 -4.541 -15.056 1.00 0.81 O ATOM 142 CB GLU A 43 -6.491 -3.497 -18.097 1.00 1.03 C ATOM 143 CG GLU A 43 -5.791 -4.455 -19.076 1.00 1.19 C ATOM 144 CD GLU A 43 -4.923 -3.723 -20.110 1.00 2.16 C ATOM 145 OE1 GLU A 43 -3.905 -3.094 -19.736 1.00 3.46 O ATOM 146 OE2 GLU A 43 -5.247 -3.778 -21.322 1.00 2.61 O ATOM 0 H GLU A 43 -4.036 -3.141 -17.910 1.00 0.88 H new ATOM 0 HA GLU A 43 -6.241 -2.450 -16.237 1.00 0.87 H new ATOM 0 HB2 GLU A 43 -7.495 -3.874 -17.902 1.00 1.03 H new ATOM 0 HB3 GLU A 43 -6.603 -2.527 -18.582 1.00 1.03 H new ATOM 0 HG2 GLU A 43 -5.168 -5.150 -18.513 1.00 1.19 H new ATOM 0 HG3 GLU A 43 -6.543 -5.049 -19.595 1.00 1.19 H new ATOM 153 N GLN A 44 -5.008 -5.439 -15.749 1.00 0.66 N ATOM 154 CA GLN A 44 -4.971 -6.507 -14.740 1.00 0.60 C ATOM 155 C GLN A 44 -4.528 -5.950 -13.387 1.00 0.49 C ATOM 156 O GLN A 44 -5.207 -6.175 -12.389 1.00 0.47 O ATOM 157 CB GLN A 44 -4.007 -7.613 -15.192 1.00 0.67 C ATOM 158 CG GLN A 44 -3.701 -8.705 -14.142 1.00 0.69 C ATOM 159 CD GLN A 44 -4.903 -9.531 -13.665 1.00 0.85 C ATOM 160 OE1 GLN A 44 -5.139 -10.655 -14.093 1.00 1.22 O ATOM 161 NE2 GLN A 44 -5.701 -9.010 -12.759 1.00 0.86 N ATOM 0 H GLN A 44 -4.234 -5.482 -16.412 1.00 0.66 H new ATOM 0 HA GLN A 44 -5.973 -6.923 -14.632 1.00 0.60 H new ATOM 0 HB2 GLN A 44 -4.423 -8.093 -16.078 1.00 0.67 H new ATOM 0 HB3 GLN A 44 -3.067 -7.150 -15.492 1.00 0.67 H new ATOM 0 HG2 GLN A 44 -2.959 -9.386 -14.560 1.00 0.69 H new ATOM 0 HG3 GLN A 44 -3.244 -8.230 -13.274 1.00 0.69 H new ATOM 0 HE21 GLN A 44 -5.517 -8.076 -12.394 1.00 0.86 H new ATOM 0 HE22 GLN A 44 -6.504 -9.540 -12.421 1.00 0.86 H new ATOM 170 N LEU A 45 -3.405 -5.232 -13.343 1.00 0.44 N ATOM 171 CA LEU A 45 -2.858 -4.622 -12.125 1.00 0.34 C ATOM 172 C LEU A 45 -3.841 -3.638 -11.461 1.00 0.39 C ATOM 173 O LEU A 45 -3.942 -3.589 -10.237 1.00 0.37 O ATOM 174 CB LEU A 45 -1.536 -3.945 -12.501 1.00 0.35 C ATOM 175 CG LEU A 45 -0.312 -4.880 -12.611 1.00 0.34 C ATOM 176 CD1 LEU A 45 0.247 -5.177 -11.217 1.00 0.36 C ATOM 177 CD2 LEU A 45 -0.541 -6.213 -13.329 1.00 0.50 C ATOM 0 H LEU A 45 -2.836 -5.053 -14.170 1.00 0.44 H new ATOM 0 HA LEU A 45 -2.686 -5.395 -11.376 1.00 0.34 H new ATOM 0 HB2 LEU A 45 -1.668 -3.436 -13.456 1.00 0.35 H new ATOM 0 HB3 LEU A 45 -1.318 -3.177 -11.758 1.00 0.35 H new ATOM 0 HG LEU A 45 0.388 -4.323 -13.233 1.00 0.34 H new ATOM 0 HD11 LEU A 45 1.110 -5.837 -11.304 1.00 0.36 H new ATOM 0 HD12 LEU A 45 0.550 -4.245 -10.740 1.00 0.36 H new ATOM 0 HD13 LEU A 45 -0.520 -5.661 -10.613 1.00 0.36 H new ATOM 0 HD21 LEU A 45 0.388 -6.783 -13.344 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -1.307 -6.783 -12.803 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -0.867 -6.024 -14.352 1.00 0.50 H new ATOM 189 N ASP A 46 -4.648 -2.939 -12.260 1.00 0.50 N ATOM 190 CA ASP A 46 -5.752 -2.091 -11.787 1.00 0.60 C ATOM 191 C ASP A 46 -6.870 -2.909 -11.115 1.00 0.53 C ATOM 192 O ASP A 46 -7.369 -2.583 -10.035 1.00 0.51 O ATOM 193 CB ASP A 46 -6.309 -1.329 -12.987 1.00 0.83 C ATOM 194 CG ASP A 46 -7.481 -0.437 -12.608 1.00 1.02 C ATOM 195 OD1 ASP A 46 -7.224 0.688 -12.117 1.00 2.14 O ATOM 196 OD2 ASP A 46 -8.637 -0.828 -12.897 1.00 1.47 O ATOM 0 H ASP A 46 -4.554 -2.944 -13.276 1.00 0.50 H new ATOM 0 HA ASP A 46 -5.369 -1.405 -11.031 1.00 0.60 H new ATOM 0 HB2 ASP A 46 -5.519 -0.720 -13.427 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -6.627 -2.039 -13.750 1.00 0.83 H new ATOM 201 N ALA A 47 -7.219 -4.040 -11.723 1.00 0.55 N ATOM 202 CA ALA A 47 -8.184 -4.966 -11.142 1.00 0.56 C ATOM 203 C ALA A 47 -7.627 -5.600 -9.853 1.00 0.49 C ATOM 204 O ALA A 47 -8.389 -5.905 -8.936 1.00 0.54 O ATOM 205 CB ALA A 47 -8.552 -6.011 -12.195 1.00 0.66 C ATOM 0 H ALA A 47 -6.844 -4.337 -12.624 1.00 0.55 H new ATOM 0 HA ALA A 47 -9.090 -4.433 -10.852 1.00 0.56 H new ATOM 0 HB1 ALA A 47 -9.274 -6.712 -11.775 1.00 0.66 H new ATOM 0 HB2 ALA A 47 -8.989 -5.516 -13.062 1.00 0.66 H new ATOM 0 HB3 ALA A 47 -7.656 -6.552 -12.500 1.00 0.66 H new ATOM 211 N LEU A 48 -6.297 -5.732 -9.772 1.00 0.44 N ATOM 212 CA LEU A 48 -5.525 -6.238 -8.637 1.00 0.37 C ATOM 213 C LEU A 48 -5.557 -5.291 -7.432 1.00 0.33 C ATOM 214 O LEU A 48 -5.824 -5.732 -6.312 1.00 0.39 O ATOM 215 CB LEU A 48 -4.083 -6.488 -9.118 1.00 0.37 C ATOM 216 CG LEU A 48 -3.572 -7.912 -8.879 1.00 0.50 C ATOM 217 CD1 LEU A 48 -2.475 -8.269 -9.877 1.00 0.50 C ATOM 218 CD2 LEU A 48 -3.030 -8.027 -7.471 1.00 1.05 C ATOM 0 H LEU A 48 -5.694 -5.470 -10.552 1.00 0.44 H new ATOM 0 HA LEU A 48 -5.974 -7.167 -8.287 1.00 0.37 H new ATOM 0 HB2 LEU A 48 -4.026 -6.269 -10.184 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -3.418 -5.787 -8.613 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.403 -8.604 -9.013 1.00 0.50 H new ATOM 0 HD11 LEU A 48 -2.128 -9.285 -9.688 1.00 0.50 H new ATOM 0 HD12 LEU A 48 -2.870 -8.203 -10.891 1.00 0.50 H new ATOM 0 HD13 LEU A 48 -1.642 -7.574 -9.766 1.00 0.50 H new ATOM 0 HD21 LEU A 48 -2.667 -9.041 -7.303 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.210 -7.321 -7.338 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -3.822 -7.802 -6.757 1.00 1.05 H new ATOM 230 N VAL A 49 -5.366 -3.985 -7.645 1.00 0.35 N ATOM 231 CA VAL A 49 -5.615 -2.991 -6.587 1.00 0.40 C ATOM 232 C VAL A 49 -7.094 -2.883 -6.223 1.00 0.44 C ATOM 233 O VAL A 49 -7.401 -2.637 -5.061 1.00 0.66 O ATOM 234 CB VAL A 49 -5.033 -1.602 -6.914 1.00 0.46 C ATOM 235 CG1 VAL A 49 -3.519 -1.594 -6.987 1.00 0.51 C ATOM 236 CG2 VAL A 49 -5.513 -1.040 -8.245 1.00 0.48 C ATOM 0 H VAL A 49 -5.043 -3.591 -8.529 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.082 -3.366 -5.713 1.00 0.40 H new ATOM 0 HB VAL A 49 -5.389 -0.988 -6.087 1.00 0.46 H new ATOM 0 HG11 VAL A 49 -3.171 -0.588 -7.220 1.00 0.51 H new ATOM 0 HG12 VAL A 49 -3.107 -1.907 -6.028 1.00 0.51 H new ATOM 0 HG13 VAL A 49 -3.189 -2.282 -7.765 1.00 0.51 H new ATOM 0 HG21 VAL A 49 -5.064 -0.061 -8.410 1.00 0.48 H new ATOM 0 HG22 VAL A 49 -5.221 -1.714 -9.051 1.00 0.48 H new ATOM 0 HG23 VAL A 49 -6.599 -0.943 -8.229 1.00 0.48 H new ATOM 246 N LYS A 50 -8.025 -3.135 -7.153 1.00 0.40 N ATOM 247 CA LYS A 50 -9.470 -3.075 -6.866 1.00 0.45 C ATOM 248 C LYS A 50 -10.083 -4.305 -6.174 1.00 0.43 C ATOM 249 O LYS A 50 -11.280 -4.315 -5.883 1.00 0.55 O ATOM 250 CB LYS A 50 -10.236 -2.615 -8.123 1.00 0.63 C ATOM 251 CG LYS A 50 -11.325 -1.614 -7.732 1.00 1.39 C ATOM 252 CD LYS A 50 -10.759 -0.229 -7.403 1.00 0.88 C ATOM 253 CE LYS A 50 -11.842 0.740 -6.899 1.00 1.71 C ATOM 254 NZ LYS A 50 -12.543 1.469 -7.985 1.00 2.35 N ATOM 0 H LYS A 50 -7.804 -3.384 -8.117 1.00 0.40 H new ATOM 0 HA LYS A 50 -9.588 -2.322 -6.087 1.00 0.45 H new ATOM 0 HB2 LYS A 50 -9.547 -2.157 -8.832 1.00 0.63 H new ATOM 0 HB3 LYS A 50 -10.683 -3.475 -8.622 1.00 0.63 H new ATOM 0 HG2 LYS A 50 -12.042 -1.525 -8.548 1.00 1.39 H new ATOM 0 HG3 LYS A 50 -11.870 -1.994 -6.868 1.00 1.39 H new ATOM 0 HD2 LYS A 50 -9.982 -0.327 -6.645 1.00 0.88 H new ATOM 0 HD3 LYS A 50 -10.286 0.188 -8.292 1.00 0.88 H new ATOM 0 HE2 LYS A 50 -12.575 0.181 -6.317 1.00 1.71 H new ATOM 0 HE3 LYS A 50 -11.384 1.464 -6.225 1.00 1.71 H new ATOM 0 HZ1 LYS A 50 -13.257 2.103 -7.573 1.00 2.35 H new ATOM 0 HZ2 LYS A 50 -11.855 2.029 -8.527 1.00 2.35 H new ATOM 0 HZ3 LYS A 50 -13.009 0.787 -8.617 1.00 2.35 H new ATOM 268 N LYS A 51 -9.258 -5.299 -5.828 1.00 0.35 N ATOM 269 CA LYS A 51 -9.581 -6.451 -4.970 1.00 0.38 C ATOM 270 C LYS A 51 -9.824 -6.073 -3.504 1.00 0.50 C ATOM 271 O LYS A 51 -10.393 -6.873 -2.764 1.00 0.81 O ATOM 272 CB LYS A 51 -8.434 -7.463 -5.061 1.00 0.49 C ATOM 273 CG LYS A 51 -8.402 -8.232 -6.390 1.00 0.96 C ATOM 274 CD LYS A 51 -7.112 -9.045 -6.567 1.00 1.54 C ATOM 275 CE LYS A 51 -7.066 -9.743 -7.930 1.00 1.18 C ATOM 276 NZ LYS A 51 -7.740 -11.066 -7.904 1.00 1.43 N ATOM 0 H LYS A 51 -8.292 -5.326 -6.156 1.00 0.35 H new ATOM 0 HA LYS A 51 -10.516 -6.877 -5.333 1.00 0.38 H new ATOM 0 HB2 LYS A 51 -7.487 -6.940 -4.930 1.00 0.49 H new ATOM 0 HB3 LYS A 51 -8.522 -8.175 -4.240 1.00 0.49 H new ATOM 0 HG2 LYS A 51 -9.260 -8.903 -6.439 1.00 0.96 H new ATOM 0 HG3 LYS A 51 -8.500 -7.528 -7.216 1.00 0.96 H new ATOM 0 HD2 LYS A 51 -6.250 -8.386 -6.466 1.00 1.54 H new ATOM 0 HD3 LYS A 51 -7.039 -9.789 -5.774 1.00 1.54 H new ATOM 0 HE2 LYS A 51 -7.542 -9.109 -8.678 1.00 1.18 H new ATOM 0 HE3 LYS A 51 -6.028 -9.872 -8.236 1.00 1.18 H new ATOM 0 HZ1 LYS A 51 -7.685 -11.502 -8.846 1.00 1.43 H new ATOM 0 HZ2 LYS A 51 -7.270 -11.681 -7.210 1.00 1.43 H new ATOM 0 HZ3 LYS A 51 -8.738 -10.942 -7.638 1.00 1.43 H new ATOM 290 N ASP A 52 -9.403 -4.886 -3.067 1.00 0.43 N ATOM 291 CA ASP A 52 -9.727 -4.346 -1.740 1.00 0.41 C ATOM 292 C ASP A 52 -9.762 -2.812 -1.753 1.00 0.40 C ATOM 293 O ASP A 52 -9.457 -2.167 -2.758 1.00 0.40 O ATOM 294 CB ASP A 52 -8.704 -4.845 -0.705 1.00 0.42 C ATOM 295 CG ASP A 52 -9.320 -5.082 0.666 1.00 0.54 C ATOM 296 OD1 ASP A 52 -9.526 -4.092 1.397 1.00 1.77 O ATOM 297 OD2 ASP A 52 -9.635 -6.253 0.989 1.00 1.48 O ATOM 0 H ASP A 52 -8.821 -4.263 -3.628 1.00 0.43 H new ATOM 0 HA ASP A 52 -10.720 -4.700 -1.465 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -8.256 -5.772 -1.062 1.00 0.42 H new ATOM 0 HB3 ASP A 52 -7.899 -4.115 -0.615 1.00 0.42 H new ATOM 302 N LYS A 53 -10.095 -2.219 -0.608 1.00 0.41 N ATOM 303 CA LYS A 53 -9.891 -0.786 -0.361 1.00 0.42 C ATOM 304 C LYS A 53 -8.492 -0.459 0.123 1.00 0.37 C ATOM 305 O LYS A 53 -8.056 0.671 -0.068 1.00 0.43 O ATOM 306 CB LYS A 53 -10.933 -0.182 0.569 1.00 0.51 C ATOM 307 CG LYS A 53 -11.791 -1.128 1.389 1.00 0.75 C ATOM 308 CD LYS A 53 -11.092 -1.661 2.645 1.00 0.57 C ATOM 309 CE LYS A 53 -11.792 -2.903 3.214 1.00 0.88 C ATOM 310 NZ LYS A 53 -10.820 -3.817 3.859 1.00 1.52 N ATOM 0 H LYS A 53 -10.515 -2.716 0.178 1.00 0.41 H new ATOM 0 HA LYS A 53 -10.018 -0.320 -1.338 1.00 0.42 H new ATOM 0 HB2 LYS A 53 -10.417 0.485 1.260 1.00 0.51 H new ATOM 0 HB3 LYS A 53 -11.599 0.436 -0.033 1.00 0.51 H new ATOM 0 HG2 LYS A 53 -12.705 -0.612 1.684 1.00 0.75 H new ATOM 0 HG3 LYS A 53 -12.087 -1.970 0.764 1.00 0.75 H new ATOM 0 HD2 LYS A 53 -10.057 -1.906 2.407 1.00 0.57 H new ATOM 0 HD3 LYS A 53 -11.067 -0.880 3.405 1.00 0.57 H new ATOM 0 HE2 LYS A 53 -12.546 -2.598 3.940 1.00 0.88 H new ATOM 0 HE3 LYS A 53 -12.314 -3.428 2.414 1.00 0.88 H new ATOM 0 HZ1 LYS A 53 -11.307 -4.686 4.159 1.00 1.52 H new ATOM 0 HZ2 LYS A 53 -10.068 -4.058 3.182 1.00 1.52 H new ATOM 0 HZ3 LYS A 53 -10.402 -3.350 4.689 1.00 1.52 H new ATOM 324 N VAL A 54 -7.810 -1.424 0.736 1.00 0.39 N ATOM 325 CA VAL A 54 -6.432 -1.305 1.197 1.00 0.42 C ATOM 326 C VAL A 54 -5.682 -2.512 0.671 1.00 0.49 C ATOM 327 O VAL A 54 -5.951 -3.661 1.002 1.00 0.73 O ATOM 328 CB VAL A 54 -6.297 -1.200 2.730 1.00 0.41 C ATOM 329 CG1 VAL A 54 -5.367 -0.066 3.131 1.00 0.39 C ATOM 330 CG2 VAL A 54 -7.627 -1.047 3.453 1.00 0.51 C ATOM 0 H VAL A 54 -8.216 -2.339 0.931 1.00 0.39 H new ATOM 0 HA VAL A 54 -6.015 -0.373 0.817 1.00 0.42 H new ATOM 0 HB VAL A 54 -5.869 -2.153 3.042 1.00 0.41 H new ATOM 0 HG11 VAL A 54 -5.295 -0.021 4.218 1.00 0.39 H new ATOM 0 HG12 VAL A 54 -4.377 -0.241 2.709 1.00 0.39 H new ATOM 0 HG13 VAL A 54 -5.761 0.878 2.754 1.00 0.39 H new ATOM 0 HG21 VAL A 54 -7.452 -0.979 4.527 1.00 0.51 H new ATOM 0 HG22 VAL A 54 -8.126 -0.141 3.109 1.00 0.51 H new ATOM 0 HG23 VAL A 54 -8.257 -1.911 3.242 1.00 0.51 H new ATOM 340 N VAL A 55 -4.737 -2.241 -0.197 1.00 0.59 N ATOM 341 CA VAL A 55 -3.922 -3.252 -0.870 1.00 0.54 C ATOM 342 C VAL A 55 -2.481 -2.792 -0.799 1.00 0.48 C ATOM 343 O VAL A 55 -2.133 -1.704 -1.254 1.00 0.50 O ATOM 344 CB VAL A 55 -4.364 -3.456 -2.324 1.00 0.49 C ATOM 345 CG1 VAL A 55 -5.449 -4.516 -2.507 1.00 1.26 C ATOM 346 CG2 VAL A 55 -4.950 -2.187 -2.896 1.00 1.53 C ATOM 0 H VAL A 55 -4.499 -1.287 -0.470 1.00 0.59 H new ATOM 0 HA VAL A 55 -4.041 -4.216 -0.376 1.00 0.54 H new ATOM 0 HB VAL A 55 -3.452 -3.771 -2.831 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -5.704 -4.597 -3.564 1.00 1.26 H new ATOM 0 HG12 VAL A 55 -5.083 -5.477 -2.147 1.00 1.26 H new ATOM 0 HG13 VAL A 55 -6.336 -4.230 -1.941 1.00 1.26 H new ATOM 0 HG21 VAL A 55 -5.255 -2.360 -3.928 1.00 1.53 H new ATOM 0 HG22 VAL A 55 -5.817 -1.889 -2.307 1.00 1.53 H new ATOM 0 HG23 VAL A 55 -4.201 -1.395 -2.867 1.00 1.53 H new ATOM 356 N VAL A 56 -1.659 -3.609 -0.163 1.00 0.46 N ATOM 357 CA VAL A 56 -0.301 -3.278 0.263 1.00 0.44 C ATOM 358 C VAL A 56 0.653 -4.189 -0.465 1.00 0.46 C ATOM 359 O VAL A 56 0.328 -5.332 -0.721 1.00 0.56 O ATOM 360 CB VAL A 56 -0.175 -3.414 1.784 1.00 0.43 C ATOM 361 CG1 VAL A 56 1.170 -3.003 2.323 1.00 0.43 C ATOM 362 CG2 VAL A 56 -1.119 -2.429 2.456 1.00 0.44 C ATOM 0 H VAL A 56 -1.926 -4.562 0.083 1.00 0.46 H new ATOM 0 HA VAL A 56 -0.060 -2.244 0.018 1.00 0.44 H new ATOM 0 HB VAL A 56 -0.373 -4.467 1.985 1.00 0.43 H new ATOM 0 HG11 VAL A 56 1.182 -3.127 3.406 1.00 0.43 H new ATOM 0 HG12 VAL A 56 1.946 -3.626 1.878 1.00 0.43 H new ATOM 0 HG13 VAL A 56 1.357 -1.958 2.076 1.00 0.43 H new ATOM 0 HG21 VAL A 56 -1.032 -2.523 3.539 1.00 0.44 H new ATOM 0 HG22 VAL A 56 -0.858 -1.414 2.158 1.00 0.44 H new ATOM 0 HG23 VAL A 56 -2.144 -2.644 2.154 1.00 0.44 H new ATOM 372 N PHE A 57 1.805 -3.687 -0.851 1.00 0.37 N ATOM 373 CA PHE A 57 2.558 -4.247 -1.966 1.00 0.30 C ATOM 374 C PHE A 57 4.023 -4.231 -1.624 1.00 0.31 C ATOM 375 O PHE A 57 4.631 -3.157 -1.647 1.00 0.37 O ATOM 376 CB PHE A 57 2.302 -3.316 -3.142 1.00 0.29 C ATOM 377 CG PHE A 57 1.113 -3.701 -3.983 1.00 0.31 C ATOM 378 CD1 PHE A 57 1.225 -4.660 -5.005 1.00 1.92 C ATOM 379 CD2 PHE A 57 -0.110 -3.072 -3.742 1.00 1.83 C ATOM 380 CE1 PHE A 57 0.112 -4.957 -5.817 1.00 1.94 C ATOM 381 CE2 PHE A 57 -1.221 -3.370 -4.549 1.00 1.82 C ATOM 382 CZ PHE A 57 -1.116 -4.302 -5.606 1.00 0.35 C ATOM 0 H PHE A 57 2.250 -2.883 -0.408 1.00 0.37 H new ATOM 0 HA PHE A 57 2.264 -5.272 -2.190 1.00 0.30 H new ATOM 0 HB2 PHE A 57 2.155 -2.304 -2.765 1.00 0.29 H new ATOM 0 HB3 PHE A 57 3.189 -3.294 -3.775 1.00 0.29 H new ATOM 0 HD1 PHE A 57 2.164 -5.169 -5.168 1.00 1.92 H new ATOM 0 HD2 PHE A 57 -0.202 -2.358 -2.937 1.00 1.83 H new ATOM 0 HE1 PHE A 57 0.202 -5.690 -6.605 1.00 1.94 H new ATOM 0 HE2 PHE A 57 -2.165 -2.881 -4.359 1.00 1.82 H new ATOM 0 HZ PHE A 57 -1.964 -4.508 -6.242 1.00 0.35 H new ATOM 392 N LEU A 58 4.589 -5.386 -1.278 1.00 0.30 N ATOM 393 CA LEU A 58 5.958 -5.411 -0.798 1.00 0.31 C ATOM 394 C LEU A 58 6.769 -6.616 -1.315 1.00 0.40 C ATOM 395 O LEU A 58 6.242 -7.699 -1.641 1.00 0.57 O ATOM 396 CB LEU A 58 6.011 -5.145 0.735 1.00 0.43 C ATOM 397 CG LEU A 58 4.684 -5.122 1.549 1.00 0.39 C ATOM 398 CD1 LEU A 58 4.234 -6.522 1.956 1.00 0.38 C ATOM 399 CD2 LEU A 58 4.883 -4.302 2.814 1.00 0.56 C ATOM 0 H LEU A 58 4.128 -6.295 -1.321 1.00 0.30 H new ATOM 0 HA LEU A 58 6.497 -4.576 -1.246 1.00 0.31 H new ATOM 0 HB2 LEU A 58 6.654 -5.906 1.178 1.00 0.43 H new ATOM 0 HB3 LEU A 58 6.504 -4.184 0.884 1.00 0.43 H new ATOM 0 HG LEU A 58 3.918 -4.685 0.908 1.00 0.39 H new ATOM 0 HD11 LEU A 58 3.305 -6.455 2.521 1.00 0.38 H new ATOM 0 HD12 LEU A 58 4.073 -7.126 1.063 1.00 0.38 H new ATOM 0 HD13 LEU A 58 5.002 -6.986 2.574 1.00 0.38 H new ATOM 0 HD21 LEU A 58 3.955 -4.284 3.386 1.00 0.56 H new ATOM 0 HD22 LEU A 58 5.673 -4.750 3.417 1.00 0.56 H new ATOM 0 HD23 LEU A 58 5.164 -3.283 2.547 1.00 0.56 H new ATOM 411 N LYS A 59 8.089 -6.378 -1.395 1.00 0.46 N ATOM 412 CA LYS A 59 9.120 -7.388 -1.664 1.00 0.77 C ATOM 413 C LYS A 59 9.460 -8.138 -0.363 1.00 0.92 C ATOM 414 O LYS A 59 10.608 -8.168 0.070 1.00 1.09 O ATOM 415 CB LYS A 59 10.346 -6.736 -2.327 1.00 0.96 C ATOM 416 CG LYS A 59 10.953 -5.543 -1.556 1.00 0.98 C ATOM 417 CD LYS A 59 12.474 -5.405 -1.717 1.00 1.34 C ATOM 418 CE LYS A 59 12.912 -5.365 -3.184 1.00 1.64 C ATOM 419 NZ LYS A 59 14.360 -5.062 -3.311 1.00 2.03 N ATOM 0 H LYS A 59 8.478 -5.444 -1.269 1.00 0.46 H new ATOM 0 HA LYS A 59 8.746 -8.128 -2.372 1.00 0.77 H new ATOM 0 HB2 LYS A 59 11.117 -7.496 -2.455 1.00 0.96 H new ATOM 0 HB3 LYS A 59 10.063 -6.398 -3.324 1.00 0.96 H new ATOM 0 HG2 LYS A 59 10.477 -4.623 -1.896 1.00 0.98 H new ATOM 0 HG3 LYS A 59 10.718 -5.650 -0.497 1.00 0.98 H new ATOM 0 HD2 LYS A 59 12.807 -4.495 -1.218 1.00 1.34 H new ATOM 0 HD3 LYS A 59 12.965 -6.240 -1.218 1.00 1.34 H new ATOM 0 HE2 LYS A 59 12.697 -6.324 -3.655 1.00 1.64 H new ATOM 0 HE3 LYS A 59 12.333 -4.611 -3.717 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 14.624 -5.042 -4.317 1.00 2.03 H new ATOM 0 HZ2 LYS A 59 14.560 -4.136 -2.883 1.00 2.03 H new ATOM 0 HZ3 LYS A 59 14.912 -5.796 -2.823 1.00 2.03 H new ATOM 433 N GLY A 60 8.449 -8.817 0.177 1.00 0.93 N ATOM 434 CA GLY A 60 8.280 -9.399 1.521 1.00 0.86 C ATOM 435 C GLY A 60 6.824 -9.476 2.025 1.00 0.87 C ATOM 436 O GLY A 60 5.888 -9.524 1.229 1.00 1.02 O ATOM 0 H GLY A 60 7.618 -8.999 -0.386 1.00 0.93 H new ATOM 0 HA2 GLY A 60 8.701 -10.405 1.520 1.00 0.86 H new ATOM 0 HA3 GLY A 60 8.862 -8.811 2.230 1.00 0.86 H new ATOM 440 N THR A 61 6.637 -9.464 3.349 1.00 0.84 N ATOM 441 CA THR A 61 5.359 -9.605 4.093 1.00 0.83 C ATOM 442 C THR A 61 5.256 -8.593 5.247 1.00 0.82 C ATOM 443 O THR A 61 6.271 -8.040 5.687 1.00 0.85 O ATOM 444 CB THR A 61 5.255 -11.021 4.700 1.00 0.89 C ATOM 445 OG1 THR A 61 6.399 -11.348 5.455 1.00 1.11 O ATOM 446 CG2 THR A 61 5.060 -12.112 3.656 1.00 0.75 C ATOM 0 H THR A 61 7.426 -9.348 3.985 1.00 0.84 H new ATOM 0 HA THR A 61 4.554 -9.423 3.381 1.00 0.83 H new ATOM 0 HB THR A 61 4.372 -10.984 5.338 1.00 0.89 H new ATOM 0 HG1 THR A 61 6.137 -11.888 6.229 1.00 1.11 H new ATOM 0 HG21 THR A 61 4.995 -13.081 4.150 1.00 0.75 H new ATOM 0 HG22 THR A 61 4.140 -11.925 3.102 1.00 0.75 H new ATOM 0 HG23 THR A 61 5.905 -12.112 2.968 1.00 0.75 H new ATOM 454 N PRO A 62 4.036 -8.337 5.771 1.00 0.79 N ATOM 455 CA PRO A 62 3.792 -7.336 6.812 1.00 0.78 C ATOM 456 C PRO A 62 4.565 -7.587 8.118 1.00 1.10 C ATOM 457 O PRO A 62 4.985 -6.627 8.770 1.00 1.36 O ATOM 458 CB PRO A 62 2.269 -7.349 7.031 1.00 0.66 C ATOM 459 CG PRO A 62 1.804 -8.694 6.498 1.00 0.81 C ATOM 460 CD PRO A 62 2.768 -8.911 5.344 1.00 0.79 C ATOM 0 HA PRO A 62 4.158 -6.360 6.492 1.00 0.78 H new ATOM 0 HB2 PRO A 62 2.022 -7.236 8.087 1.00 0.66 H new ATOM 0 HB3 PRO A 62 1.787 -6.527 6.501 1.00 0.66 H new ATOM 0 HG2 PRO A 62 1.879 -9.481 7.249 1.00 0.81 H new ATOM 0 HG3 PRO A 62 0.766 -8.667 6.166 1.00 0.81 H new ATOM 0 HD2 PRO A 62 2.876 -9.972 5.119 1.00 0.79 H new ATOM 0 HD3 PRO A 62 2.406 -8.428 4.436 1.00 0.79 H new ATOM 468 N GLU A 63 4.833 -8.847 8.475 1.00 1.24 N ATOM 469 CA GLU A 63 5.454 -9.214 9.760 1.00 1.54 C ATOM 470 C GLU A 63 6.976 -9.458 9.710 1.00 1.60 C ATOM 471 O GLU A 63 7.658 -9.196 10.704 1.00 1.99 O ATOM 472 CB GLU A 63 4.692 -10.399 10.383 1.00 1.68 C ATOM 473 CG GLU A 63 4.998 -11.793 9.806 1.00 2.12 C ATOM 474 CD GLU A 63 4.735 -11.938 8.303 1.00 2.85 C ATOM 475 OE1 GLU A 63 3.736 -11.377 7.800 1.00 3.57 O ATOM 476 OE2 GLU A 63 5.531 -12.605 7.598 1.00 3.87 O ATOM 0 H GLU A 63 4.625 -9.649 7.880 1.00 1.24 H new ATOM 0 HA GLU A 63 5.363 -8.340 10.404 1.00 1.54 H new ATOM 0 HB2 GLU A 63 4.906 -10.418 11.452 1.00 1.68 H new ATOM 0 HB3 GLU A 63 3.624 -10.212 10.275 1.00 1.68 H new ATOM 0 HG2 GLU A 63 6.044 -12.031 10.002 1.00 2.12 H new ATOM 0 HG3 GLU A 63 4.398 -12.531 10.338 1.00 2.12 H new ATOM 483 N GLN A 64 7.532 -9.916 8.581 1.00 1.32 N ATOM 484 CA GLN A 64 8.967 -10.220 8.450 1.00 1.33 C ATOM 485 C GLN A 64 9.751 -9.071 7.788 1.00 1.47 C ATOM 486 O GLN A 64 9.315 -8.572 6.745 1.00 1.48 O ATOM 487 CB GLN A 64 9.187 -11.507 7.656 1.00 1.38 C ATOM 488 CG GLN A 64 8.830 -12.781 8.431 1.00 1.42 C ATOM 489 CD GLN A 64 8.790 -13.994 7.512 1.00 1.90 C ATOM 490 OE1 GLN A 64 9.731 -14.773 7.409 1.00 2.40 O ATOM 491 NE2 GLN A 64 7.720 -14.195 6.782 1.00 2.51 N ATOM 0 H GLN A 64 6.999 -10.087 7.728 1.00 1.32 H new ATOM 0 HA GLN A 64 9.346 -10.350 9.464 1.00 1.33 H new ATOM 0 HB2 GLN A 64 8.590 -11.468 6.745 1.00 1.38 H new ATOM 0 HB3 GLN A 64 10.232 -11.560 7.350 1.00 1.38 H new ATOM 0 HG2 GLN A 64 9.562 -12.945 9.222 1.00 1.42 H new ATOM 0 HG3 GLN A 64 7.861 -12.656 8.914 1.00 1.42 H new ATOM 0 HE21 GLN A 64 6.927 -13.558 6.854 1.00 2.51 H new ATOM 0 HE22 GLN A 64 7.681 -14.989 6.142 1.00 2.51 H new ATOM 500 N PRO A 65 10.935 -8.690 8.308 1.00 1.89 N ATOM 501 CA PRO A 65 11.797 -7.653 7.736 1.00 2.10 C ATOM 502 C PRO A 65 12.584 -8.158 6.515 1.00 1.78 C ATOM 503 O PRO A 65 13.814 -8.159 6.472 1.00 2.05 O ATOM 504 CB PRO A 65 12.667 -7.181 8.898 1.00 2.65 C ATOM 505 CG PRO A 65 12.853 -8.460 9.707 1.00 2.88 C ATOM 506 CD PRO A 65 11.501 -9.151 9.570 1.00 2.38 C ATOM 0 HA PRO A 65 11.230 -6.818 7.325 1.00 2.10 H new ATOM 0 HB2 PRO A 65 13.619 -6.775 8.555 1.00 2.65 H new ATOM 0 HB3 PRO A 65 12.179 -6.399 9.480 1.00 2.65 H new ATOM 0 HG2 PRO A 65 13.662 -9.074 9.311 1.00 2.88 H new ATOM 0 HG3 PRO A 65 13.094 -8.247 10.749 1.00 2.88 H new ATOM 0 HD2 PRO A 65 11.616 -10.235 9.572 1.00 2.38 H new ATOM 0 HD3 PRO A 65 10.848 -8.898 10.405 1.00 2.38 H new ATOM 514 N GLN A 66 11.829 -8.532 5.487 1.00 1.35 N ATOM 515 CA GLN A 66 12.227 -8.785 4.100 1.00 0.96 C ATOM 516 C GLN A 66 13.402 -7.927 3.590 1.00 1.12 C ATOM 517 O GLN A 66 14.366 -8.450 3.030 1.00 1.48 O ATOM 518 CB GLN A 66 11.010 -8.477 3.243 1.00 0.55 C ATOM 519 CG GLN A 66 10.195 -7.225 3.642 1.00 1.18 C ATOM 520 CD GLN A 66 9.890 -6.252 2.513 1.00 0.74 C ATOM 521 OE1 GLN A 66 8.871 -6.313 1.863 1.00 1.57 O ATOM 522 NE2 GLN A 66 10.672 -5.218 2.333 1.00 1.07 N ATOM 0 H GLN A 66 10.828 -8.681 5.612 1.00 1.35 H new ATOM 0 HA GLN A 66 12.571 -9.818 4.042 1.00 0.96 H new ATOM 0 HB2 GLN A 66 11.339 -8.357 2.211 1.00 0.55 H new ATOM 0 HB3 GLN A 66 10.346 -9.341 3.268 1.00 0.55 H new ATOM 0 HG2 GLN A 66 9.252 -7.552 4.081 1.00 1.18 H new ATOM 0 HG3 GLN A 66 10.740 -6.691 4.420 1.00 1.18 H new ATOM 0 HE21 GLN A 66 11.539 -5.135 2.865 1.00 1.07 H new ATOM 0 HE22 GLN A 66 10.415 -4.495 1.661 1.00 1.07 H new ATOM 531 N CYS A 67 13.271 -6.613 3.775 1.00 0.99 N ATOM 532 CA CYS A 67 14.213 -5.535 3.475 1.00 1.11 C ATOM 533 C CYS A 67 13.860 -4.364 4.430 1.00 1.01 C ATOM 534 O CYS A 67 13.265 -4.613 5.484 1.00 1.64 O ATOM 535 CB CYS A 67 14.114 -5.183 1.975 1.00 1.16 C ATOM 536 SG CYS A 67 15.576 -4.227 1.472 1.00 1.64 S ATOM 0 H CYS A 67 12.413 -6.239 4.181 1.00 0.99 H new ATOM 0 HA CYS A 67 15.255 -5.808 3.643 1.00 1.11 H new ATOM 0 HB2 CYS A 67 14.042 -6.095 1.382 1.00 1.16 H new ATOM 0 HB3 CYS A 67 13.208 -4.607 1.786 1.00 1.16 H new ATOM 0 HG CYS A 67 15.490 -3.935 0.208 1.00 1.64 H new ATOM 542 N GLY A 68 14.138 -3.106 4.083 1.00 1.23 N ATOM 543 CA GLY A 68 13.641 -1.932 4.820 1.00 1.13 C ATOM 544 C GLY A 68 12.124 -1.703 4.690 1.00 1.08 C ATOM 545 O GLY A 68 11.473 -2.262 3.806 1.00 1.95 O ATOM 0 H GLY A 68 14.718 -2.867 3.278 1.00 1.23 H new ATOM 0 HA2 GLY A 68 13.891 -2.046 5.875 1.00 1.13 H new ATOM 0 HA3 GLY A 68 14.163 -1.044 4.463 1.00 1.13 H new ATOM 549 N PHE A 69 11.568 -0.869 5.573 1.00 1.09 N ATOM 550 CA PHE A 69 10.210 -0.296 5.541 1.00 1.22 C ATOM 551 C PHE A 69 8.990 -1.231 5.358 1.00 0.90 C ATOM 552 O PHE A 69 7.893 -0.794 5.005 1.00 0.78 O ATOM 553 CB PHE A 69 10.165 1.036 4.786 1.00 2.00 C ATOM 554 CG PHE A 69 11.125 1.287 3.654 1.00 1.23 C ATOM 555 CD1 PHE A 69 12.429 1.760 3.870 1.00 2.29 C ATOM 556 CD2 PHE A 69 10.605 1.244 2.364 1.00 1.88 C ATOM 557 CE1 PHE A 69 13.189 2.218 2.776 1.00 2.15 C ATOM 558 CE2 PHE A 69 11.314 1.770 1.281 1.00 2.19 C ATOM 559 CZ PHE A 69 12.621 2.251 1.485 1.00 1.42 C ATOM 0 H PHE A 69 12.089 -0.550 6.390 1.00 1.09 H new ATOM 0 HA PHE A 69 10.025 -0.076 6.593 1.00 1.22 H new ATOM 0 HB2 PHE A 69 9.157 1.151 4.389 1.00 2.00 H new ATOM 0 HB3 PHE A 69 10.311 1.830 5.518 1.00 2.00 H new ATOM 0 HD1 PHE A 69 12.846 1.773 4.866 1.00 2.29 H new ATOM 0 HD2 PHE A 69 9.636 0.796 2.197 1.00 1.88 H new ATOM 0 HE1 PHE A 69 14.208 2.544 2.926 1.00 2.15 H new ATOM 0 HE2 PHE A 69 10.865 1.807 0.300 1.00 2.19 H new ATOM 0 HZ PHE A 69 13.188 2.645 0.655 1.00 1.42 H new ATOM 569 N SER A 70 9.131 -2.520 5.655 1.00 1.11 N ATOM 570 CA SER A 70 8.070 -3.520 5.451 1.00 0.99 C ATOM 571 C SER A 70 7.036 -3.599 6.578 1.00 0.95 C ATOM 572 O SER A 70 5.872 -3.902 6.325 1.00 1.06 O ATOM 573 CB SER A 70 8.740 -4.866 5.204 1.00 1.13 C ATOM 574 OG SER A 70 9.410 -5.346 6.357 1.00 2.23 O ATOM 0 H SER A 70 9.988 -2.910 6.047 1.00 1.11 H new ATOM 0 HA SER A 70 7.482 -3.210 4.587 1.00 0.99 H new ATOM 0 HB2 SER A 70 7.990 -5.592 4.892 1.00 1.13 H new ATOM 0 HB3 SER A 70 9.452 -4.771 4.384 1.00 1.13 H new ATOM 0 HG SER A 70 9.332 -6.322 6.398 1.00 2.23 H new ATOM 580 N ASN A 71 7.430 -3.295 7.816 1.00 1.04 N ATOM 581 CA ASN A 71 6.507 -3.027 8.922 1.00 1.10 C ATOM 582 C ASN A 71 6.084 -1.561 8.954 1.00 1.05 C ATOM 583 O ASN A 71 5.007 -1.262 9.444 1.00 1.02 O ATOM 584 CB ASN A 71 7.193 -3.422 10.234 1.00 1.43 C ATOM 585 CG ASN A 71 6.233 -3.821 11.345 1.00 2.72 C ATOM 586 OD1 ASN A 71 6.164 -3.194 12.396 1.00 3.58 O ATOM 587 ND2 ASN A 71 5.482 -4.885 11.173 1.00 4.17 N ATOM 0 H ASN A 71 8.412 -3.227 8.083 1.00 1.04 H new ATOM 0 HA ASN A 71 5.600 -3.616 8.783 1.00 1.10 H new ATOM 0 HB2 ASN A 71 7.872 -4.253 10.040 1.00 1.43 H new ATOM 0 HB3 ASN A 71 7.802 -2.586 10.578 1.00 1.43 H new ATOM 0 HD21 ASN A 71 4.846 -5.185 11.912 1.00 4.17 H new ATOM 0 HD22 ASN A 71 5.535 -5.411 10.301 1.00 4.17 H new ATOM 594 N ALA A 72 6.896 -0.650 8.416 1.00 1.05 N ATOM 595 CA ALA A 72 6.651 0.796 8.456 1.00 1.00 C ATOM 596 C ALA A 72 5.324 1.193 7.810 1.00 0.84 C ATOM 597 O ALA A 72 4.627 2.082 8.305 1.00 0.71 O ATOM 598 CB ALA A 72 7.836 1.523 7.811 1.00 1.06 C ATOM 0 H ALA A 72 7.758 -0.899 7.931 1.00 1.05 H new ATOM 0 HA ALA A 72 6.565 1.097 9.500 1.00 1.00 H new ATOM 0 HB1 ALA A 72 7.661 2.599 7.837 1.00 1.06 H new ATOM 0 HB2 ALA A 72 8.748 1.290 8.360 1.00 1.06 H new ATOM 0 HB3 ALA A 72 7.943 1.198 6.776 1.00 1.06 H new ATOM 604 N VAL A 73 4.921 0.460 6.773 1.00 0.88 N ATOM 605 CA VAL A 73 3.615 0.576 6.161 1.00 0.83 C ATOM 606 C VAL A 73 2.479 0.103 7.073 1.00 0.77 C ATOM 607 O VAL A 73 1.456 0.772 7.195 1.00 0.67 O ATOM 608 CB VAL A 73 3.642 -0.196 4.837 1.00 1.01 C ATOM 609 CG1 VAL A 73 4.497 0.522 3.796 1.00 1.10 C ATOM 610 CG2 VAL A 73 4.207 -1.602 4.955 1.00 1.15 C ATOM 0 H VAL A 73 5.513 -0.244 6.332 1.00 0.88 H new ATOM 0 HA VAL A 73 3.404 1.630 5.978 1.00 0.83 H new ATOM 0 HB VAL A 73 2.595 -0.252 4.540 1.00 1.01 H new ATOM 0 HG11 VAL A 73 4.497 -0.050 2.868 1.00 1.10 H new ATOM 0 HG12 VAL A 73 4.087 1.515 3.611 1.00 1.10 H new ATOM 0 HG13 VAL A 73 5.518 0.614 4.165 1.00 1.10 H new ATOM 0 HG21 VAL A 73 4.193 -2.083 3.977 1.00 1.15 H new ATOM 0 HG22 VAL A 73 5.233 -1.552 5.320 1.00 1.15 H new ATOM 0 HG23 VAL A 73 3.601 -2.180 5.653 1.00 1.15 H new ATOM 620 N VAL A 74 2.680 -1.022 7.763 1.00 0.88 N ATOM 621 CA VAL A 74 1.721 -1.636 8.692 1.00 0.90 C ATOM 622 C VAL A 74 1.594 -0.837 9.987 1.00 0.78 C ATOM 623 O VAL A 74 0.489 -0.706 10.496 1.00 0.77 O ATOM 624 CB VAL A 74 2.096 -3.102 8.957 1.00 1.07 C ATOM 625 CG1 VAL A 74 1.249 -3.773 10.045 1.00 1.15 C ATOM 626 CG2 VAL A 74 1.897 -3.901 7.666 1.00 1.20 C ATOM 0 H VAL A 74 3.548 -1.553 7.689 1.00 0.88 H new ATOM 0 HA VAL A 74 0.737 -1.620 8.222 1.00 0.90 H new ATOM 0 HB VAL A 74 3.131 -3.096 9.299 1.00 1.07 H new ATOM 0 HG11 VAL A 74 1.574 -4.805 10.174 1.00 1.15 H new ATOM 0 HG12 VAL A 74 1.371 -3.234 10.985 1.00 1.15 H new ATOM 0 HG13 VAL A 74 0.200 -3.757 9.751 1.00 1.15 H new ATOM 0 HG21 VAL A 74 2.160 -4.944 7.840 1.00 1.20 H new ATOM 0 HG22 VAL A 74 0.854 -3.836 7.355 1.00 1.20 H new ATOM 0 HG23 VAL A 74 2.535 -3.492 6.883 1.00 1.20 H new ATOM 636 N GLN A 75 2.682 -0.231 10.467 1.00 0.70 N ATOM 637 CA GLN A 75 2.686 0.755 11.545 1.00 0.60 C ATOM 638 C GLN A 75 1.771 1.922 11.178 1.00 0.55 C ATOM 639 O GLN A 75 0.806 2.180 11.889 1.00 0.56 O ATOM 640 CB GLN A 75 4.116 1.255 11.816 1.00 0.58 C ATOM 641 CG GLN A 75 4.990 0.224 12.545 1.00 0.65 C ATOM 642 CD GLN A 75 4.597 -0.004 14.003 1.00 1.11 C ATOM 643 OE1 GLN A 75 4.048 0.849 14.693 1.00 2.31 O ATOM 644 NE2 GLN A 75 4.877 -1.167 14.537 1.00 0.81 N ATOM 0 H GLN A 75 3.615 -0.421 10.102 1.00 0.70 H new ATOM 0 HA GLN A 75 2.314 0.285 12.456 1.00 0.60 H new ATOM 0 HB2 GLN A 75 4.588 1.517 10.869 1.00 0.58 H new ATOM 0 HB3 GLN A 75 4.068 2.167 12.411 1.00 0.58 H new ATOM 0 HG2 GLN A 75 4.935 -0.725 12.012 1.00 0.65 H new ATOM 0 HG3 GLN A 75 6.029 0.552 12.506 1.00 0.65 H new ATOM 0 HE21 GLN A 75 5.333 -1.888 13.978 1.00 0.81 H new ATOM 0 HE22 GLN A 75 4.639 -1.351 15.511 1.00 0.81 H new ATOM 653 N ILE A 76 1.999 2.585 10.038 1.00 0.49 N ATOM 654 CA ILE A 76 1.194 3.762 9.666 1.00 0.41 C ATOM 655 C ILE A 76 -0.284 3.379 9.505 1.00 0.40 C ATOM 656 O ILE A 76 -1.157 4.071 10.026 1.00 0.39 O ATOM 657 CB ILE A 76 1.804 4.454 8.425 1.00 0.37 C ATOM 658 CG1 ILE A 76 3.139 5.109 8.848 1.00 0.42 C ATOM 659 CG2 ILE A 76 0.863 5.526 7.837 1.00 0.34 C ATOM 660 CD1 ILE A 76 3.933 5.666 7.669 1.00 0.43 C ATOM 0 H ILE A 76 2.722 2.334 9.364 1.00 0.49 H new ATOM 0 HA ILE A 76 1.221 4.498 10.469 1.00 0.41 H new ATOM 0 HB ILE A 76 1.961 3.705 7.649 1.00 0.37 H new ATOM 0 HG12 ILE A 76 2.934 5.914 9.553 1.00 0.42 H new ATOM 0 HG13 ILE A 76 3.748 4.373 9.373 1.00 0.42 H new ATOM 0 HG21 ILE A 76 1.333 5.985 6.967 1.00 0.34 H new ATOM 0 HG22 ILE A 76 -0.077 5.061 7.539 1.00 0.34 H new ATOM 0 HG23 ILE A 76 0.667 6.290 8.589 1.00 0.34 H new ATOM 0 HD11 ILE A 76 4.859 6.112 8.032 1.00 0.43 H new ATOM 0 HD12 ILE A 76 4.167 4.859 6.974 1.00 0.43 H new ATOM 0 HD13 ILE A 76 3.341 6.425 7.158 1.00 0.43 H new ATOM 672 N LEU A 77 -0.568 2.238 8.875 1.00 0.42 N ATOM 673 CA LEU A 77 -1.927 1.695 8.769 1.00 0.44 C ATOM 674 C LEU A 77 -2.570 1.405 10.140 1.00 0.49 C ATOM 675 O LEU A 77 -3.606 1.999 10.450 1.00 0.50 O ATOM 676 CB LEU A 77 -1.916 0.470 7.834 1.00 0.48 C ATOM 677 CG LEU A 77 -1.723 0.854 6.353 1.00 0.43 C ATOM 678 CD1 LEU A 77 -1.442 -0.388 5.509 1.00 0.56 C ATOM 679 CD2 LEU A 77 -2.973 1.535 5.788 1.00 0.39 C ATOM 0 H LEU A 77 0.140 1.661 8.421 1.00 0.42 H new ATOM 0 HA LEU A 77 -2.569 2.457 8.328 1.00 0.44 H new ATOM 0 HB2 LEU A 77 -1.117 -0.206 8.137 1.00 0.48 H new ATOM 0 HB3 LEU A 77 -2.853 -0.075 7.945 1.00 0.48 H new ATOM 0 HG LEU A 77 -0.879 1.542 6.310 1.00 0.43 H new ATOM 0 HD11 LEU A 77 -1.309 -0.097 4.467 1.00 0.56 H new ATOM 0 HD12 LEU A 77 -0.536 -0.875 5.869 1.00 0.56 H new ATOM 0 HD13 LEU A 77 -2.281 -1.079 5.588 1.00 0.56 H new ATOM 0 HD21 LEU A 77 -2.805 1.793 4.742 1.00 0.39 H new ATOM 0 HD22 LEU A 77 -3.822 0.856 5.862 1.00 0.39 H new ATOM 0 HD23 LEU A 77 -3.182 2.441 6.357 1.00 0.39 H new ATOM 691 N ARG A 78 -1.969 0.568 10.995 1.00 0.56 N ATOM 692 CA ARG A 78 -2.509 0.223 12.309 1.00 0.64 C ATOM 693 C ARG A 78 -2.650 1.402 13.276 1.00 0.64 C ATOM 694 O ARG A 78 -3.614 1.420 14.040 1.00 0.69 O ATOM 695 CB ARG A 78 -1.692 -0.939 12.886 1.00 0.74 C ATOM 696 CG ARG A 78 -0.454 -0.541 13.716 1.00 0.84 C ATOM 697 CD ARG A 78 0.280 -1.751 14.306 1.00 1.06 C ATOM 698 NE ARG A 78 -0.581 -2.503 15.237 1.00 2.20 N ATOM 699 CZ ARG A 78 -0.524 -2.547 16.558 1.00 3.18 C ATOM 700 NH1 ARG A 78 0.351 -1.906 17.275 1.00 3.84 N ATOM 701 NH2 ARG A 78 -1.384 -3.250 17.227 1.00 4.28 N ATOM 0 H ARG A 78 -1.083 0.107 10.788 1.00 0.56 H new ATOM 0 HA ARG A 78 -3.543 -0.093 12.170 1.00 0.64 H new ATOM 0 HB2 ARG A 78 -2.348 -1.543 13.513 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -1.365 -1.573 12.062 1.00 0.74 H new ATOM 0 HG2 ARG A 78 0.234 0.024 13.086 1.00 0.84 H new ATOM 0 HG3 ARG A 78 -0.762 0.121 14.525 1.00 0.84 H new ATOM 0 HD2 ARG A 78 0.607 -2.408 13.500 1.00 1.06 H new ATOM 0 HD3 ARG A 78 1.176 -1.415 14.828 1.00 1.06 H new ATOM 0 HE ARG A 78 -1.317 -3.063 14.806 1.00 2.20 H new ATOM 0 HH11 ARG A 78 1.053 -1.322 16.821 1.00 3.84 H new ATOM 0 HH12 ARG A 78 0.335 -1.987 18.292 1.00 3.84 H new ATOM 0 HH21 ARG A 78 -2.109 -3.772 16.735 1.00 4.28 H new ATOM 0 HH22 ARG A 78 -1.336 -3.281 18.245 1.00 4.28 H new ATOM 715 N LEU A 79 -1.763 2.401 13.211 1.00 0.60 N ATOM 716 CA LEU A 79 -1.854 3.655 13.968 1.00 0.59 C ATOM 717 C LEU A 79 -3.087 4.469 13.557 1.00 0.56 C ATOM 718 O LEU A 79 -3.773 5.037 14.409 1.00 0.60 O ATOM 719 CB LEU A 79 -0.584 4.473 13.691 1.00 0.55 C ATOM 720 CG LEU A 79 0.704 3.954 14.359 1.00 0.57 C ATOM 721 CD1 LEU A 79 1.885 4.710 13.747 1.00 0.54 C ATOM 722 CD2 LEU A 79 0.721 4.171 15.868 1.00 0.59 C ATOM 0 H LEU A 79 -0.938 2.358 12.613 1.00 0.60 H new ATOM 0 HA LEU A 79 -1.947 3.425 15.029 1.00 0.59 H new ATOM 0 HB2 LEU A 79 -0.424 4.507 12.613 1.00 0.55 H new ATOM 0 HB3 LEU A 79 -0.755 5.498 14.021 1.00 0.55 H new ATOM 0 HG LEU A 79 0.762 2.879 14.186 1.00 0.57 H new ATOM 0 HD11 LEU A 79 2.813 4.364 14.201 1.00 0.54 H new ATOM 0 HD12 LEU A 79 1.916 4.528 12.673 1.00 0.54 H new ATOM 0 HD13 LEU A 79 1.768 5.778 13.931 1.00 0.54 H new ATOM 0 HD21 LEU A 79 1.653 3.785 16.281 1.00 0.59 H new ATOM 0 HD22 LEU A 79 0.643 5.237 16.083 1.00 0.59 H new ATOM 0 HD23 LEU A 79 -0.121 3.647 16.320 1.00 0.59 H new ATOM 734 N HIS A 80 -3.406 4.469 12.259 1.00 0.50 N ATOM 735 CA HIS A 80 -4.649 5.007 11.711 1.00 0.47 C ATOM 736 C HIS A 80 -5.872 4.105 11.961 1.00 0.52 C ATOM 737 O HIS A 80 -6.988 4.520 11.659 1.00 0.57 O ATOM 738 CB HIS A 80 -4.445 5.312 10.217 1.00 0.40 C ATOM 739 CG HIS A 80 -3.799 6.652 9.970 1.00 0.36 C ATOM 740 ND1 HIS A 80 -4.414 7.859 10.168 1.00 0.36 N ATOM 741 CD2 HIS A 80 -2.541 6.929 9.501 1.00 0.34 C ATOM 742 CE1 HIS A 80 -3.578 8.838 9.823 1.00 0.35 C ATOM 743 NE2 HIS A 80 -2.413 8.324 9.390 1.00 0.34 N ATOM 0 H HIS A 80 -2.789 4.084 11.544 1.00 0.50 H new ATOM 0 HA HIS A 80 -4.880 5.931 12.241 1.00 0.47 H new ATOM 0 HB2 HIS A 80 -3.828 4.531 9.774 1.00 0.40 H new ATOM 0 HB3 HIS A 80 -5.410 5.282 9.711 1.00 0.40 H new ATOM 0 HD2 HIS A 80 -1.780 6.201 9.259 1.00 0.34 H new ATOM 0 HE1 HIS A 80 -3.804 9.892 9.883 1.00 0.35 H new ATOM 0 HE2 HIS A 80 -1.602 8.841 9.050 1.00 0.34 H new ATOM 751 N GLY A 81 -5.712 2.913 12.546 1.00 0.54 N ATOM 752 CA GLY A 81 -6.817 1.995 12.838 1.00 0.62 C ATOM 753 C GLY A 81 -7.111 0.963 11.739 1.00 0.66 C ATOM 754 O GLY A 81 -8.180 0.344 11.761 1.00 0.88 O ATOM 0 H GLY A 81 -4.801 2.555 12.833 1.00 0.54 H new ATOM 0 HA2 GLY A 81 -6.594 1.464 13.764 1.00 0.62 H new ATOM 0 HA3 GLY A 81 -7.719 2.581 13.016 1.00 0.62 H new ATOM 758 N VAL A 82 -6.206 0.785 10.771 1.00 0.53 N ATOM 759 CA VAL A 82 -6.378 -0.059 9.572 1.00 0.48 C ATOM 760 C VAL A 82 -5.504 -1.306 9.651 1.00 0.48 C ATOM 761 O VAL A 82 -4.303 -1.220 9.896 1.00 0.62 O ATOM 762 CB VAL A 82 -6.080 0.750 8.293 1.00 0.42 C ATOM 763 CG1 VAL A 82 -6.375 -0.059 7.022 1.00 0.38 C ATOM 764 CG2 VAL A 82 -6.902 2.048 8.238 1.00 0.46 C ATOM 0 H VAL A 82 -5.294 1.242 10.798 1.00 0.53 H new ATOM 0 HA VAL A 82 -7.417 -0.387 9.531 1.00 0.48 H new ATOM 0 HB VAL A 82 -5.017 0.989 8.333 1.00 0.42 H new ATOM 0 HG11 VAL A 82 -6.152 0.548 6.144 1.00 0.38 H new ATOM 0 HG12 VAL A 82 -5.756 -0.956 7.010 1.00 0.38 H new ATOM 0 HG13 VAL A 82 -7.427 -0.344 7.008 1.00 0.38 H new ATOM 0 HG21 VAL A 82 -6.665 2.590 7.323 1.00 0.46 H new ATOM 0 HG22 VAL A 82 -7.965 1.806 8.251 1.00 0.46 H new ATOM 0 HG23 VAL A 82 -6.660 2.669 9.101 1.00 0.46 H new ATOM 774 N ARG A 83 -6.104 -2.480 9.429 1.00 0.44 N ATOM 775 CA ARG A 83 -5.516 -3.800 9.689 1.00 0.51 C ATOM 776 C ARG A 83 -5.868 -4.842 8.621 1.00 0.45 C ATOM 777 O ARG A 83 -5.388 -5.972 8.611 1.00 0.73 O ATOM 778 CB ARG A 83 -5.982 -4.238 11.081 1.00 0.96 C ATOM 779 CG ARG A 83 -7.489 -4.491 11.180 1.00 1.28 C ATOM 780 CD ARG A 83 -8.249 -3.291 11.733 1.00 2.47 C ATOM 781 NE ARG A 83 -9.664 -3.627 11.960 1.00 3.16 N ATOM 782 CZ ARG A 83 -10.727 -3.280 11.260 1.00 4.15 C ATOM 783 NH1 ARG A 83 -10.704 -2.598 10.155 1.00 4.85 N ATOM 784 NH2 ARG A 83 -11.897 -3.648 11.671 1.00 4.85 N ATOM 0 H ARG A 83 -7.049 -2.540 9.049 1.00 0.44 H new ATOM 0 HA ARG A 83 -4.430 -3.723 9.648 1.00 0.51 H new ATOM 0 HB2 ARG A 83 -5.452 -5.148 11.361 1.00 0.96 H new ATOM 0 HB3 ARG A 83 -5.704 -3.471 11.804 1.00 0.96 H new ATOM 0 HG2 ARG A 83 -7.878 -4.739 10.192 1.00 1.28 H new ATOM 0 HG3 ARG A 83 -7.667 -5.356 11.819 1.00 1.28 H new ATOM 0 HD2 ARG A 83 -7.793 -2.966 12.668 1.00 2.47 H new ATOM 0 HD3 ARG A 83 -8.176 -2.456 11.036 1.00 2.47 H new ATOM 0 HE ARG A 83 -9.849 -4.212 12.775 1.00 3.16 H new ATOM 0 HH11 ARG A 83 -9.814 -2.288 9.765 1.00 4.85 H new ATOM 0 HH12 ARG A 83 -11.576 -2.372 9.677 1.00 4.85 H new ATOM 0 HH21 ARG A 83 -11.988 -4.198 12.525 1.00 4.85 H new ATOM 0 HH22 ARG A 83 -12.729 -3.388 11.141 1.00 4.85 H new ATOM 798 N ASP A 84 -6.764 -4.408 7.747 1.00 0.50 N ATOM 799 CA ASP A 84 -7.653 -5.135 6.873 1.00 0.60 C ATOM 800 C ASP A 84 -7.262 -4.940 5.399 1.00 0.55 C ATOM 801 O ASP A 84 -8.087 -5.061 4.491 1.00 0.62 O ATOM 802 CB ASP A 84 -9.064 -4.646 7.228 1.00 0.82 C ATOM 803 CG ASP A 84 -9.225 -3.124 7.170 1.00 2.35 C ATOM 804 OD1 ASP A 84 -8.745 -2.440 8.112 1.00 3.59 O ATOM 805 OD2 ASP A 84 -9.841 -2.619 6.205 1.00 3.61 O ATOM 0 H ASP A 84 -6.895 -3.404 7.624 1.00 0.50 H new ATOM 0 HA ASP A 84 -7.597 -6.215 7.012 1.00 0.60 H new ATOM 0 HB2 ASP A 84 -9.779 -5.104 6.545 1.00 0.82 H new ATOM 0 HB3 ASP A 84 -9.316 -4.990 8.231 1.00 0.82 H new ATOM 810 N TYR A 85 -5.979 -4.645 5.168 1.00 0.47 N ATOM 811 CA TYR A 85 -5.373 -4.650 3.851 1.00 0.42 C ATOM 812 C TYR A 85 -5.242 -6.083 3.313 1.00 0.43 C ATOM 813 O TYR A 85 -5.293 -7.062 4.063 1.00 0.48 O ATOM 814 CB TYR A 85 -3.962 -4.003 3.905 1.00 0.39 C ATOM 815 CG TYR A 85 -3.130 -4.437 5.095 1.00 0.40 C ATOM 816 CD1 TYR A 85 -2.452 -5.658 4.979 1.00 1.81 C ATOM 817 CD2 TYR A 85 -3.114 -3.723 6.319 1.00 1.65 C ATOM 818 CE1 TYR A 85 -1.770 -6.195 6.090 1.00 1.81 C ATOM 819 CE2 TYR A 85 -2.435 -4.260 7.430 1.00 1.68 C ATOM 820 CZ TYR A 85 -1.776 -5.502 7.324 1.00 0.49 C ATOM 821 OH TYR A 85 -1.178 -6.043 8.419 1.00 0.55 O ATOM 0 H TYR A 85 -5.328 -4.392 5.911 1.00 0.47 H new ATOM 0 HA TYR A 85 -6.018 -4.075 3.186 1.00 0.42 H new ATOM 0 HB2 TYR A 85 -3.425 -4.251 2.989 1.00 0.39 H new ATOM 0 HB3 TYR A 85 -4.071 -2.919 3.927 1.00 0.39 H new ATOM 0 HD1 TYR A 85 -2.452 -6.188 4.038 1.00 1.81 H new ATOM 0 HD2 TYR A 85 -3.620 -2.772 6.399 1.00 1.65 H new ATOM 0 HE1 TYR A 85 -1.244 -7.134 6.000 1.00 1.81 H new ATOM 0 HE2 TYR A 85 -2.419 -3.719 8.365 1.00 1.68 H new ATOM 0 HH TYR A 85 -1.276 -5.433 9.180 1.00 0.55 H new ATOM 831 N ALA A 86 -4.974 -6.196 2.014 1.00 0.43 N ATOM 832 CA ALA A 86 -4.381 -7.399 1.441 1.00 0.43 C ATOM 833 C ALA A 86 -2.908 -7.087 1.176 1.00 0.42 C ATOM 834 O ALA A 86 -2.613 -6.236 0.337 1.00 0.47 O ATOM 835 CB ALA A 86 -5.175 -7.801 0.194 1.00 0.46 C ATOM 0 H ALA A 86 -5.161 -5.460 1.333 1.00 0.43 H new ATOM 0 HA ALA A 86 -4.424 -8.260 2.108 1.00 0.43 H new ATOM 0 HB1 ALA A 86 -4.738 -8.700 -0.241 1.00 0.46 H new ATOM 0 HB2 ALA A 86 -6.211 -7.998 0.470 1.00 0.46 H new ATOM 0 HB3 ALA A 86 -5.141 -6.992 -0.535 1.00 0.46 H new ATOM 841 N ALA A 87 -1.993 -7.683 1.947 1.00 0.38 N ATOM 842 CA ALA A 87 -0.565 -7.450 1.755 1.00 0.37 C ATOM 843 C ALA A 87 -0.049 -8.451 0.690 1.00 0.37 C ATOM 844 O ALA A 87 0.109 -9.644 0.977 1.00 0.41 O ATOM 845 CB ALA A 87 0.219 -7.651 3.065 1.00 0.42 C ATOM 0 H ALA A 87 -2.218 -8.327 2.706 1.00 0.38 H new ATOM 0 HA ALA A 87 -0.415 -6.420 1.430 1.00 0.37 H new ATOM 0 HB1 ALA A 87 1.279 -7.470 2.886 1.00 0.42 H new ATOM 0 HB2 ALA A 87 -0.146 -6.953 3.818 1.00 0.42 H new ATOM 0 HB3 ALA A 87 0.080 -8.673 3.419 1.00 0.42 H new ATOM 851 N TYR A 88 0.213 -7.990 -0.524 1.00 0.36 N ATOM 852 CA TYR A 88 0.827 -8.732 -1.617 1.00 0.38 C ATOM 853 C TYR A 88 2.318 -8.952 -1.392 1.00 0.42 C ATOM 854 O TYR A 88 3.127 -8.021 -1.452 1.00 0.48 O ATOM 855 CB TYR A 88 0.598 -7.992 -2.941 1.00 0.48 C ATOM 856 CG TYR A 88 -0.849 -7.944 -3.369 1.00 0.58 C ATOM 857 CD1 TYR A 88 -1.421 -9.054 -4.018 1.00 1.66 C ATOM 858 CD2 TYR A 88 -1.611 -6.783 -3.141 1.00 2.07 C ATOM 859 CE1 TYR A 88 -2.770 -9.018 -4.411 1.00 1.59 C ATOM 860 CE2 TYR A 88 -2.945 -6.723 -3.583 1.00 2.32 C ATOM 861 CZ TYR A 88 -3.544 -7.866 -4.156 1.00 1.10 C ATOM 862 OH TYR A 88 -4.860 -7.853 -4.491 1.00 1.42 O ATOM 0 H TYR A 88 -0.010 -7.031 -0.789 1.00 0.36 H new ATOM 0 HA TYR A 88 0.355 -9.714 -1.657 1.00 0.38 H new ATOM 0 HB2 TYR A 88 0.973 -6.973 -2.847 1.00 0.48 H new ATOM 0 HB3 TYR A 88 1.183 -8.476 -3.723 1.00 0.48 H new ATOM 0 HD1 TYR A 88 -0.824 -9.932 -4.214 1.00 1.66 H new ATOM 0 HD2 TYR A 88 -1.172 -5.940 -2.628 1.00 2.07 H new ATOM 0 HE1 TYR A 88 -3.213 -9.869 -4.907 1.00 1.59 H new ATOM 0 HE2 TYR A 88 -3.508 -5.807 -3.485 1.00 2.32 H new ATOM 0 HH TYR A 88 -5.033 -7.111 -5.107 1.00 1.42 H new ATOM 872 N ASN A 89 2.662 -10.227 -1.220 1.00 0.44 N ATOM 873 CA ASN A 89 3.982 -10.776 -1.371 1.00 0.50 C ATOM 874 C ASN A 89 4.304 -10.854 -2.872 1.00 0.42 C ATOM 875 O ASN A 89 4.047 -11.883 -3.506 1.00 0.49 O ATOM 876 CB ASN A 89 3.905 -12.145 -0.643 1.00 0.60 C ATOM 877 CG ASN A 89 5.213 -12.839 -0.330 1.00 1.28 C ATOM 878 OD1 ASN A 89 5.489 -13.964 -0.720 1.00 2.59 O ATOM 879 ND2 ASN A 89 6.028 -12.178 0.438 1.00 1.04 N ATOM 0 H ASN A 89 1.977 -10.935 -0.956 1.00 0.44 H new ATOM 0 HA ASN A 89 4.792 -10.188 -0.941 1.00 0.50 H new ATOM 0 HB2 ASN A 89 3.368 -11.999 0.294 1.00 0.60 H new ATOM 0 HB3 ASN A 89 3.303 -12.818 -1.254 1.00 0.60 H new ATOM 0 HD21 ASN A 89 6.913 -12.598 0.724 1.00 1.04 H new ATOM 0 HD22 ASN A 89 5.783 -11.240 0.755 1.00 1.04 H new ATOM 886 N VAL A 90 4.883 -9.783 -3.446 1.00 0.42 N ATOM 887 CA VAL A 90 5.103 -9.751 -4.921 1.00 0.68 C ATOM 888 C VAL A 90 6.166 -10.759 -5.386 1.00 0.96 C ATOM 889 O VAL A 90 6.085 -11.323 -6.466 1.00 1.63 O ATOM 890 CB VAL A 90 5.415 -8.334 -5.442 1.00 0.59 C ATOM 891 CG1 VAL A 90 4.360 -7.336 -4.949 1.00 0.55 C ATOM 892 CG2 VAL A 90 6.808 -7.833 -5.046 1.00 0.63 C ATOM 0 H VAL A 90 5.199 -8.954 -2.943 1.00 0.42 H new ATOM 0 HA VAL A 90 4.155 -10.058 -5.363 1.00 0.68 H new ATOM 0 HB VAL A 90 5.393 -8.403 -6.530 1.00 0.59 H new ATOM 0 HG11 VAL A 90 4.596 -6.341 -5.326 1.00 0.55 H new ATOM 0 HG12 VAL A 90 3.377 -7.637 -5.311 1.00 0.55 H new ATOM 0 HG13 VAL A 90 4.356 -7.319 -3.859 1.00 0.55 H new ATOM 0 HG21 VAL A 90 6.961 -6.830 -5.445 1.00 0.63 H new ATOM 0 HG22 VAL A 90 6.890 -7.807 -3.959 1.00 0.63 H new ATOM 0 HG23 VAL A 90 7.565 -8.504 -5.451 1.00 0.63 H new ATOM 902 N LEU A 91 7.112 -11.040 -4.498 1.00 0.78 N ATOM 903 CA LEU A 91 8.231 -11.981 -4.547 1.00 0.86 C ATOM 904 C LEU A 91 7.838 -13.459 -4.748 1.00 0.63 C ATOM 905 O LEU A 91 8.654 -14.233 -5.247 1.00 0.70 O ATOM 906 CB LEU A 91 9.107 -11.754 -3.281 1.00 1.24 C ATOM 907 CG LEU A 91 8.538 -11.839 -1.874 1.00 1.54 C ATOM 908 CD1 LEU A 91 9.667 -11.695 -0.852 1.00 1.05 C ATOM 909 CD2 LEU A 91 7.496 -10.778 -1.711 1.00 3.86 C ATOM 0 H LEU A 91 7.114 -10.547 -3.605 1.00 0.78 H new ATOM 0 HA LEU A 91 8.806 -11.768 -5.449 1.00 0.86 H new ATOM 0 HB2 LEU A 91 9.924 -12.474 -3.332 1.00 1.24 H new ATOM 0 HB3 LEU A 91 9.549 -10.763 -3.380 1.00 1.24 H new ATOM 0 HG LEU A 91 8.069 -12.808 -1.706 1.00 1.54 H new ATOM 0 HD11 LEU A 91 9.256 -11.756 0.156 1.00 1.05 H new ATOM 0 HD12 LEU A 91 10.393 -12.495 -0.997 1.00 1.05 H new ATOM 0 HD13 LEU A 91 10.158 -10.731 -0.985 1.00 1.05 H new ATOM 0 HD21 LEU A 91 7.080 -10.828 -0.705 1.00 3.86 H new ATOM 0 HD22 LEU A 91 7.947 -9.798 -1.869 1.00 3.86 H new ATOM 0 HD23 LEU A 91 6.701 -10.933 -2.441 1.00 3.86 H new ATOM 921 N ASP A 92 6.604 -13.866 -4.435 1.00 0.56 N ATOM 922 CA ASP A 92 6.123 -15.234 -4.716 1.00 0.66 C ATOM 923 C ASP A 92 5.629 -15.426 -6.155 1.00 0.54 C ATOM 924 O ASP A 92 5.545 -16.549 -6.645 1.00 0.69 O ATOM 925 CB ASP A 92 4.978 -15.582 -3.772 1.00 0.90 C ATOM 926 CG ASP A 92 5.038 -17.035 -3.289 1.00 1.41 C ATOM 927 OD1 ASP A 92 5.975 -17.396 -2.533 1.00 2.64 O ATOM 928 OD2 ASP A 92 4.140 -17.826 -3.669 1.00 1.69 O ATOM 0 H ASP A 92 5.912 -13.268 -3.984 1.00 0.56 H new ATOM 0 HA ASP A 92 6.980 -15.891 -4.568 1.00 0.66 H new ATOM 0 HB2 ASP A 92 5.006 -14.915 -2.911 1.00 0.90 H new ATOM 0 HB3 ASP A 92 4.028 -15.410 -4.279 1.00 0.90 H new ATOM 933 N ASP A 93 5.246 -14.332 -6.803 1.00 0.47 N ATOM 934 CA ASP A 93 4.533 -14.308 -8.075 1.00 0.61 C ATOM 935 C ASP A 93 5.273 -13.442 -9.117 1.00 0.72 C ATOM 936 O ASP A 93 5.136 -12.215 -9.086 1.00 0.74 O ATOM 937 CB ASP A 93 3.133 -13.746 -7.803 1.00 0.84 C ATOM 938 CG ASP A 93 2.151 -14.799 -7.304 1.00 1.11 C ATOM 939 OD1 ASP A 93 1.565 -15.498 -8.166 1.00 1.37 O ATOM 940 OD2 ASP A 93 1.917 -14.918 -6.076 1.00 2.61 O ATOM 0 H ASP A 93 5.432 -13.397 -6.441 1.00 0.47 H new ATOM 0 HA ASP A 93 4.472 -15.315 -8.489 1.00 0.61 H new ATOM 0 HB2 ASP A 93 3.206 -12.947 -7.065 1.00 0.84 H new ATOM 0 HB3 ASP A 93 2.743 -13.300 -8.718 1.00 0.84 H new ATOM 945 N PRO A 94 6.000 -14.023 -10.094 1.00 0.88 N ATOM 946 CA PRO A 94 6.722 -13.238 -11.103 1.00 1.01 C ATOM 947 C PRO A 94 5.808 -12.294 -11.898 1.00 0.93 C ATOM 948 O PRO A 94 6.228 -11.210 -12.296 1.00 0.88 O ATOM 949 CB PRO A 94 7.401 -14.267 -12.011 1.00 1.37 C ATOM 950 CG PRO A 94 6.578 -15.540 -11.822 1.00 1.33 C ATOM 951 CD PRO A 94 6.158 -15.448 -10.359 1.00 0.99 C ATOM 0 HA PRO A 94 7.444 -12.574 -10.628 1.00 1.01 H new ATOM 0 HB2 PRO A 94 7.398 -13.942 -13.052 1.00 1.37 H new ATOM 0 HB3 PRO A 94 8.442 -14.421 -11.728 1.00 1.37 H new ATOM 0 HG2 PRO A 94 5.717 -15.570 -12.490 1.00 1.33 H new ATOM 0 HG3 PRO A 94 7.166 -16.436 -12.020 1.00 1.33 H new ATOM 0 HD2 PRO A 94 5.227 -15.987 -10.182 1.00 0.99 H new ATOM 0 HD3 PRO A 94 6.910 -15.889 -9.705 1.00 0.99 H new ATOM 959 N GLU A 95 4.535 -12.658 -12.065 1.00 0.93 N ATOM 960 CA GLU A 95 3.480 -11.829 -12.621 1.00 0.92 C ATOM 961 C GLU A 95 3.203 -10.563 -11.801 1.00 0.73 C ATOM 962 O GLU A 95 3.122 -9.470 -12.368 1.00 0.69 O ATOM 963 CB GLU A 95 2.222 -12.693 -12.656 1.00 1.05 C ATOM 964 CG GLU A 95 2.327 -13.922 -13.572 1.00 1.28 C ATOM 965 CD GLU A 95 1.015 -14.708 -13.582 1.00 2.84 C ATOM 966 OE1 GLU A 95 0.635 -15.251 -12.513 1.00 4.19 O ATOM 967 OE2 GLU A 95 0.342 -14.767 -14.644 1.00 3.78 O ATOM 0 H GLU A 95 4.202 -13.585 -11.801 1.00 0.93 H new ATOM 0 HA GLU A 95 3.787 -11.485 -13.609 1.00 0.92 H new ATOM 0 HB2 GLU A 95 1.996 -13.027 -11.643 1.00 1.05 H new ATOM 0 HB3 GLU A 95 1.383 -12.080 -12.984 1.00 1.05 H new ATOM 0 HG2 GLU A 95 2.574 -13.605 -14.585 1.00 1.28 H new ATOM 0 HG3 GLU A 95 3.139 -14.565 -13.233 1.00 1.28 H new ATOM 974 N LEU A 96 3.096 -10.695 -10.471 1.00 0.65 N ATOM 975 CA LEU A 96 2.924 -9.549 -9.570 1.00 0.53 C ATOM 976 C LEU A 96 4.169 -8.654 -9.631 1.00 0.47 C ATOM 977 O LEU A 96 4.052 -7.436 -9.722 1.00 0.45 O ATOM 978 CB LEU A 96 2.696 -9.968 -8.095 1.00 0.51 C ATOM 979 CG LEU A 96 1.354 -10.615 -7.704 1.00 0.52 C ATOM 980 CD1 LEU A 96 1.324 -10.863 -6.189 1.00 0.59 C ATOM 981 CD2 LEU A 96 0.150 -9.727 -8.011 1.00 0.69 C ATOM 0 H LEU A 96 3.126 -11.595 -9.992 1.00 0.65 H new ATOM 0 HA LEU A 96 2.035 -9.017 -9.909 1.00 0.53 H new ATOM 0 HB2 LEU A 96 3.489 -10.665 -7.824 1.00 0.51 H new ATOM 0 HB3 LEU A 96 2.827 -9.080 -7.476 1.00 0.51 H new ATOM 0 HG LEU A 96 1.285 -11.534 -8.286 1.00 0.52 H new ATOM 0 HD11 LEU A 96 0.374 -11.321 -5.914 1.00 0.59 H new ATOM 0 HD12 LEU A 96 2.141 -11.529 -5.913 1.00 0.59 H new ATOM 0 HD13 LEU A 96 1.436 -9.915 -5.663 1.00 0.59 H new ATOM 0 HD21 LEU A 96 -0.765 -10.239 -7.713 1.00 0.69 H new ATOM 0 HD22 LEU A 96 0.238 -8.791 -7.460 1.00 0.69 H new ATOM 0 HD23 LEU A 96 0.116 -9.517 -9.080 1.00 0.69 H new ATOM 993 N ARG A 97 5.357 -9.268 -9.602 1.00 0.52 N ATOM 994 CA ARG A 97 6.671 -8.612 -9.557 1.00 0.53 C ATOM 995 C ARG A 97 6.915 -7.759 -10.804 1.00 0.54 C ATOM 996 O ARG A 97 7.117 -6.547 -10.701 1.00 0.52 O ATOM 997 CB ARG A 97 7.713 -9.730 -9.365 1.00 0.68 C ATOM 998 CG ARG A 97 9.128 -9.280 -8.980 1.00 0.83 C ATOM 999 CD ARG A 97 9.929 -10.546 -8.642 1.00 1.09 C ATOM 1000 NE ARG A 97 11.279 -10.252 -8.128 1.00 1.62 N ATOM 1001 CZ ARG A 97 11.950 -10.976 -7.249 1.00 2.45 C ATOM 1002 NH1 ARG A 97 11.524 -12.123 -6.812 1.00 2.25 N ATOM 1003 NH2 ARG A 97 13.084 -10.574 -6.761 1.00 3.90 N ATOM 0 H ARG A 97 5.433 -10.285 -9.610 1.00 0.52 H new ATOM 0 HA ARG A 97 6.738 -7.906 -8.729 1.00 0.53 H new ATOM 0 HB2 ARG A 97 7.348 -10.409 -8.594 1.00 0.68 H new ATOM 0 HB3 ARG A 97 7.776 -10.302 -10.291 1.00 0.68 H new ATOM 0 HG2 ARG A 97 9.596 -8.736 -9.801 1.00 0.83 H new ATOM 0 HG3 ARG A 97 9.098 -8.604 -8.126 1.00 0.83 H new ATOM 0 HD2 ARG A 97 9.382 -11.128 -7.900 1.00 1.09 H new ATOM 0 HD3 ARG A 97 10.013 -11.166 -9.535 1.00 1.09 H new ATOM 0 HE ARG A 97 11.737 -9.413 -8.483 1.00 1.62 H new ATOM 0 HH11 ARG A 97 10.637 -12.499 -7.148 1.00 2.25 H new ATOM 0 HH12 ARG A 97 12.076 -12.647 -6.133 1.00 2.25 H new ATOM 0 HH21 ARG A 97 13.477 -9.680 -7.055 1.00 3.90 H new ATOM 0 HH22 ARG A 97 13.581 -11.152 -6.084 1.00 3.90 H new ATOM 1017 N GLN A 98 6.801 -8.356 -11.992 1.00 0.59 N ATOM 1018 CA GLN A 98 6.933 -7.643 -13.251 1.00 0.62 C ATOM 1019 C GLN A 98 5.814 -6.635 -13.467 1.00 0.56 C ATOM 1020 O GLN A 98 6.062 -5.472 -13.791 1.00 0.56 O ATOM 1021 CB GLN A 98 7.029 -8.677 -14.382 1.00 0.68 C ATOM 1022 CG GLN A 98 5.728 -9.338 -14.879 1.00 2.75 C ATOM 1023 CD GLN A 98 5.922 -10.517 -15.838 1.00 3.20 C ATOM 1024 OE1 GLN A 98 7.008 -11.051 -16.059 1.00 3.24 O ATOM 1025 NE2 GLN A 98 4.849 -10.980 -16.440 1.00 4.05 N ATOM 0 H GLN A 98 6.614 -9.353 -12.102 1.00 0.59 H new ATOM 0 HA GLN A 98 7.844 -7.045 -13.237 1.00 0.62 H new ATOM 0 HB2 GLN A 98 7.503 -8.193 -15.236 1.00 0.68 H new ATOM 0 HB3 GLN A 98 7.700 -9.470 -14.052 1.00 0.68 H new ATOM 0 HG2 GLN A 98 5.161 -9.683 -14.014 1.00 2.75 H new ATOM 0 HG3 GLN A 98 5.122 -8.581 -15.377 1.00 2.75 H new ATOM 0 HE21 GLN A 98 3.941 -10.548 -16.267 1.00 4.05 H new ATOM 0 HE22 GLN A 98 4.924 -11.771 -17.080 1.00 4.05 H new ATOM 1034 N GLY A 99 4.593 -7.082 -13.181 1.00 0.54 N ATOM 1035 CA GLY A 99 3.395 -6.265 -13.262 1.00 0.54 C ATOM 1036 C GLY A 99 3.532 -4.963 -12.476 1.00 0.50 C ATOM 1037 O GLY A 99 3.204 -3.904 -13.012 1.00 0.53 O ATOM 0 H GLY A 99 4.411 -8.040 -12.882 1.00 0.54 H new ATOM 0 HA2 GLY A 99 3.183 -6.037 -14.306 1.00 0.54 H new ATOM 0 HA3 GLY A 99 2.545 -6.830 -12.880 1.00 0.54 H new ATOM 1041 N ILE A 100 4.078 -5.016 -11.251 1.00 0.48 N ATOM 1042 CA ILE A 100 4.185 -3.861 -10.362 1.00 0.49 C ATOM 1043 C ILE A 100 5.413 -3.000 -10.651 1.00 0.53 C ATOM 1044 O ILE A 100 5.306 -1.775 -10.564 1.00 0.57 O ATOM 1045 CB ILE A 100 4.055 -4.291 -8.901 1.00 0.47 C ATOM 1046 CG1 ILE A 100 3.513 -3.154 -8.030 1.00 0.46 C ATOM 1047 CG2 ILE A 100 5.357 -4.815 -8.271 1.00 0.54 C ATOM 1048 CD1 ILE A 100 2.204 -2.466 -8.446 1.00 0.56 C ATOM 0 H ILE A 100 4.460 -5.873 -10.851 1.00 0.48 H new ATOM 0 HA ILE A 100 3.344 -3.199 -10.568 1.00 0.49 H new ATOM 0 HB ILE A 100 3.352 -5.123 -8.928 1.00 0.47 H new ATOM 0 HG12 ILE A 100 3.374 -3.547 -7.023 1.00 0.46 H new ATOM 0 HG13 ILE A 100 4.285 -2.387 -7.970 1.00 0.46 H new ATOM 0 HG21 ILE A 100 5.172 -5.097 -7.234 1.00 0.54 H new ATOM 0 HG22 ILE A 100 5.706 -5.685 -8.827 1.00 0.54 H new ATOM 0 HG23 ILE A 100 6.117 -4.035 -8.305 1.00 0.54 H new ATOM 0 HD11 ILE A 100 1.959 -1.685 -7.726 1.00 0.56 H new ATOM 0 HD12 ILE A 100 2.324 -2.023 -9.435 1.00 0.56 H new ATOM 0 HD13 ILE A 100 1.399 -3.201 -8.473 1.00 0.56 H new ATOM 1060 N LYS A 101 6.544 -3.599 -11.060 1.00 0.54 N ATOM 1061 CA LYS A 101 7.736 -2.848 -11.508 1.00 0.58 C ATOM 1062 C LYS A 101 7.457 -2.005 -12.753 1.00 0.62 C ATOM 1063 O LYS A 101 7.943 -0.877 -12.850 1.00 0.69 O ATOM 1064 CB LYS A 101 8.899 -3.821 -11.756 1.00 0.60 C ATOM 1065 CG LYS A 101 9.492 -4.303 -10.421 1.00 0.62 C ATOM 1066 CD LYS A 101 10.435 -5.501 -10.574 1.00 0.78 C ATOM 1067 CE LYS A 101 11.792 -5.135 -11.186 1.00 1.17 C ATOM 1068 NZ LYS A 101 12.683 -6.318 -11.176 1.00 1.38 N ATOM 0 H LYS A 101 6.661 -4.612 -11.091 1.00 0.54 H new ATOM 0 HA LYS A 101 8.009 -2.152 -10.715 1.00 0.58 H new ATOM 0 HB2 LYS A 101 8.549 -4.676 -12.335 1.00 0.60 H new ATOM 0 HB3 LYS A 101 9.672 -3.330 -12.348 1.00 0.60 H new ATOM 0 HG2 LYS A 101 10.034 -3.480 -9.954 1.00 0.62 H new ATOM 0 HG3 LYS A 101 8.679 -4.573 -9.747 1.00 0.62 H new ATOM 0 HD2 LYS A 101 10.597 -5.954 -9.596 1.00 0.78 H new ATOM 0 HD3 LYS A 101 9.955 -6.254 -11.198 1.00 0.78 H new ATOM 0 HE2 LYS A 101 11.656 -4.779 -12.207 1.00 1.17 H new ATOM 0 HE3 LYS A 101 12.247 -4.321 -10.623 1.00 1.17 H new ATOM 0 HZ1 LYS A 101 13.602 -6.064 -11.592 1.00 1.38 H new ATOM 0 HZ2 LYS A 101 12.823 -6.639 -10.197 1.00 1.38 H new ATOM 0 HZ3 LYS A 101 12.251 -7.083 -11.732 1.00 1.38 H new ATOM 1082 N ASP A 102 6.640 -2.524 -13.669 1.00 0.63 N ATOM 1083 CA ASP A 102 6.178 -1.812 -14.863 1.00 0.76 C ATOM 1084 C ASP A 102 5.118 -0.746 -14.497 1.00 0.79 C ATOM 1085 O ASP A 102 5.317 0.451 -14.723 1.00 0.86 O ATOM 1086 CB ASP A 102 5.667 -2.877 -15.855 1.00 0.81 C ATOM 1087 CG ASP A 102 5.433 -2.412 -17.295 1.00 1.14 C ATOM 1088 OD1 ASP A 102 5.604 -1.212 -17.620 1.00 1.62 O ATOM 1089 OD2 ASP A 102 5.091 -3.290 -18.126 1.00 2.51 O ATOM 0 H ASP A 102 6.272 -3.473 -13.601 1.00 0.63 H new ATOM 0 HA ASP A 102 6.985 -1.251 -15.333 1.00 0.76 H new ATOM 0 HB2 ASP A 102 6.384 -3.698 -15.874 1.00 0.81 H new ATOM 0 HB3 ASP A 102 4.730 -3.280 -15.470 1.00 0.81 H new ATOM 1094 N TYR A 103 4.037 -1.145 -13.812 1.00 0.73 N ATOM 1095 CA TYR A 103 2.926 -0.274 -13.405 1.00 0.73 C ATOM 1096 C TYR A 103 3.365 0.919 -12.541 1.00 0.86 C ATOM 1097 O TYR A 103 2.870 2.030 -12.740 1.00 0.97 O ATOM 1098 CB TYR A 103 1.928 -1.152 -12.647 1.00 0.65 C ATOM 1099 CG TYR A 103 0.617 -0.520 -12.237 1.00 0.60 C ATOM 1100 CD1 TYR A 103 0.499 0.153 -11.008 1.00 1.95 C ATOM 1101 CD2 TYR A 103 -0.515 -0.733 -13.039 1.00 1.61 C ATOM 1102 CE1 TYR A 103 -0.774 0.578 -10.567 1.00 2.14 C ATOM 1103 CE2 TYR A 103 -1.790 -0.328 -12.595 1.00 1.48 C ATOM 1104 CZ TYR A 103 -1.920 0.331 -11.355 1.00 0.85 C ATOM 1105 OH TYR A 103 -3.153 0.722 -10.931 1.00 1.07 O ATOM 0 H TYR A 103 3.908 -2.113 -13.517 1.00 0.73 H new ATOM 0 HA TYR A 103 2.482 0.171 -14.295 1.00 0.73 H new ATOM 0 HB2 TYR A 103 1.704 -2.020 -13.267 1.00 0.65 H new ATOM 0 HB3 TYR A 103 2.420 -1.521 -11.747 1.00 0.65 H new ATOM 0 HD1 TYR A 103 1.375 0.344 -10.406 1.00 1.95 H new ATOM 0 HD2 TYR A 103 -0.408 -1.210 -14.002 1.00 1.61 H new ATOM 0 HE1 TYR A 103 -0.871 1.094 -9.623 1.00 2.14 H new ATOM 0 HE2 TYR A 103 -2.663 -0.521 -13.201 1.00 1.48 H new ATOM 0 HH TYR A 103 -3.824 0.471 -11.600 1.00 1.07 H new ATOM 1115 N SER A 104 4.337 0.722 -11.644 1.00 0.89 N ATOM 1116 CA SER A 104 4.916 1.772 -10.786 1.00 0.97 C ATOM 1117 C SER A 104 6.024 2.585 -11.460 1.00 1.03 C ATOM 1118 O SER A 104 6.451 3.608 -10.914 1.00 1.16 O ATOM 1119 CB SER A 104 5.525 1.159 -9.523 1.00 1.23 C ATOM 1120 OG SER A 104 4.611 0.284 -8.905 1.00 1.70 O ATOM 0 H SER A 104 4.757 -0.194 -11.487 1.00 0.89 H new ATOM 0 HA SER A 104 4.082 2.437 -10.561 1.00 0.97 H new ATOM 0 HB2 SER A 104 6.437 0.620 -9.778 1.00 1.23 H new ATOM 0 HB3 SER A 104 5.806 1.950 -8.828 1.00 1.23 H new ATOM 0 HG SER A 104 4.655 -0.594 -9.338 1.00 1.70 H new ATOM 1126 N ASN A 105 6.525 2.113 -12.608 1.00 1.01 N ATOM 1127 CA ASN A 105 7.720 2.628 -13.292 1.00 1.07 C ATOM 1128 C ASN A 105 8.991 2.670 -12.387 1.00 1.00 C ATOM 1129 O ASN A 105 9.874 3.512 -12.584 1.00 1.02 O ATOM 1130 CB ASN A 105 7.330 3.964 -13.970 1.00 1.21 C ATOM 1131 CG ASN A 105 8.092 4.276 -15.237 1.00 1.34 C ATOM 1132 OD1 ASN A 105 7.594 4.182 -16.351 1.00 1.54 O ATOM 1133 ND2 ASN A 105 9.318 4.686 -15.106 1.00 1.37 N ATOM 0 H ASN A 105 6.094 1.333 -13.105 1.00 1.01 H new ATOM 0 HA ASN A 105 8.041 1.936 -14.071 1.00 1.07 H new ATOM 0 HB2 ASN A 105 6.265 3.942 -14.199 1.00 1.21 H new ATOM 0 HB3 ASN A 105 7.486 4.775 -13.259 1.00 1.21 H new ATOM 0 HD21 ASN A 105 9.865 4.930 -15.932 1.00 1.37 H new ATOM 0 HD22 ASN A 105 9.733 4.764 -14.178 1.00 1.37 H new ATOM 1140 N TRP A 106 9.068 1.811 -11.355 1.00 0.97 N ATOM 1141 CA TRP A 106 10.140 1.762 -10.337 1.00 0.84 C ATOM 1142 C TRP A 106 10.683 0.335 -10.130 1.00 0.75 C ATOM 1143 O TRP A 106 9.885 -0.602 -10.087 1.00 0.82 O ATOM 1144 CB TRP A 106 9.650 2.315 -8.982 1.00 0.86 C ATOM 1145 CG TRP A 106 10.359 3.548 -8.490 1.00 0.89 C ATOM 1146 CD1 TRP A 106 11.178 3.602 -7.413 1.00 0.85 C ATOM 1147 CD2 TRP A 106 10.303 4.918 -9.007 1.00 1.03 C ATOM 1148 NE1 TRP A 106 11.637 4.893 -7.233 1.00 0.98 N ATOM 1149 CE2 TRP A 106 11.125 5.749 -8.185 1.00 1.08 C ATOM 1150 CE3 TRP A 106 9.634 5.554 -10.079 1.00 1.18 C ATOM 1151 CZ2 TRP A 106 11.272 7.126 -8.411 1.00 1.26 C ATOM 1152 CZ3 TRP A 106 9.787 6.934 -10.326 1.00 1.37 C ATOM 1153 CH2 TRP A 106 10.597 7.722 -9.488 1.00 1.40 C ATOM 0 H TRP A 106 8.354 1.099 -11.198 1.00 0.97 H new ATOM 0 HA TRP A 106 10.948 2.388 -10.716 1.00 0.84 H new ATOM 0 HB2 TRP A 106 8.586 2.537 -9.064 1.00 0.86 H new ATOM 0 HB3 TRP A 106 9.755 1.532 -8.231 1.00 0.86 H new ATOM 0 HD1 TRP A 106 11.435 2.760 -6.787 1.00 0.85 H new ATOM 0 HE1 TRP A 106 12.275 5.177 -6.489 1.00 0.98 H new ATOM 0 HE3 TRP A 106 8.992 4.970 -10.722 1.00 1.18 H new ATOM 0 HZ2 TRP A 106 11.898 7.721 -7.763 1.00 1.26 H new ATOM 0 HZ3 TRP A 106 9.279 7.389 -11.164 1.00 1.37 H new ATOM 0 HH2 TRP A 106 10.699 8.781 -9.673 1.00 1.40 H new ATOM 1164 N PRO A 107 11.998 0.159 -9.887 1.00 0.69 N ATOM 1165 CA PRO A 107 12.599 -1.155 -9.650 1.00 0.69 C ATOM 1166 C PRO A 107 12.326 -1.737 -8.250 1.00 0.64 C ATOM 1167 O PRO A 107 12.339 -2.959 -8.098 1.00 0.70 O ATOM 1168 CB PRO A 107 14.101 -0.947 -9.884 1.00 0.80 C ATOM 1169 CG PRO A 107 14.319 0.513 -9.488 1.00 0.97 C ATOM 1170 CD PRO A 107 13.031 1.184 -9.955 1.00 0.75 C ATOM 0 HA PRO A 107 12.158 -1.893 -10.320 1.00 0.69 H new ATOM 0 HB2 PRO A 107 14.701 -1.623 -9.274 1.00 0.80 H new ATOM 0 HB3 PRO A 107 14.375 -1.127 -10.923 1.00 0.80 H new ATOM 0 HG2 PRO A 107 14.466 0.623 -8.414 1.00 0.97 H new ATOM 0 HG3 PRO A 107 15.197 0.938 -9.975 1.00 0.97 H new ATOM 0 HD2 PRO A 107 12.781 2.033 -9.319 1.00 0.75 H new ATOM 0 HD3 PRO A 107 13.136 1.566 -10.971 1.00 0.75 H new ATOM 1178 N THR A 108 12.091 -0.907 -7.220 1.00 0.65 N ATOM 1179 CA THR A 108 11.798 -1.380 -5.853 1.00 0.81 C ATOM 1180 C THR A 108 11.047 -0.361 -4.995 1.00 0.83 C ATOM 1181 O THR A 108 11.427 0.809 -4.940 1.00 1.73 O ATOM 1182 CB THR A 108 13.076 -1.849 -5.122 1.00 1.23 C ATOM 1183 OG1 THR A 108 12.746 -2.304 -3.829 1.00 2.69 O ATOM 1184 CG2 THR A 108 14.190 -0.808 -4.991 1.00 2.51 C ATOM 0 H THR A 108 12.098 0.109 -7.309 1.00 0.65 H new ATOM 0 HA THR A 108 11.132 -2.232 -5.988 1.00 0.81 H new ATOM 0 HB THR A 108 13.475 -2.641 -5.756 1.00 1.23 H new ATOM 0 HG1 THR A 108 13.567 -2.451 -3.314 1.00 2.69 H new ATOM 0 HG21 THR A 108 15.037 -1.246 -4.462 1.00 2.51 H new ATOM 0 HG22 THR A 108 14.508 -0.488 -5.983 1.00 2.51 H new ATOM 0 HG23 THR A 108 13.820 0.053 -4.434 1.00 2.51 H new ATOM 1192 N ILE A 109 9.946 -0.796 -4.371 1.00 0.91 N ATOM 1193 CA ILE A 109 9.123 -0.038 -3.412 1.00 0.88 C ATOM 1194 C ILE A 109 8.560 -0.976 -2.314 1.00 1.17 C ATOM 1195 O ILE A 109 8.438 -2.179 -2.575 1.00 2.22 O ATOM 1196 CB ILE A 109 7.977 0.737 -4.114 1.00 1.85 C ATOM 1197 CG1 ILE A 109 8.053 0.900 -5.651 1.00 3.20 C ATOM 1198 CG2 ILE A 109 7.935 2.152 -3.514 1.00 1.40 C ATOM 1199 CD1 ILE A 109 7.556 -0.319 -6.444 1.00 5.49 C ATOM 0 H ILE A 109 9.583 -1.736 -4.528 1.00 0.91 H new ATOM 0 HA ILE A 109 9.771 0.701 -2.941 1.00 0.88 H new ATOM 0 HB ILE A 109 7.092 0.125 -3.939 1.00 1.85 H new ATOM 0 HG12 ILE A 109 7.466 1.771 -5.941 1.00 3.20 H new ATOM 0 HG13 ILE A 109 9.086 1.104 -5.932 1.00 3.20 H new ATOM 0 HG21 ILE A 109 7.137 2.725 -3.988 1.00 1.40 H new ATOM 0 HG22 ILE A 109 7.748 2.087 -2.442 1.00 1.40 H new ATOM 0 HG23 ILE A 109 8.890 2.649 -3.686 1.00 1.40 H new ATOM 0 HD11 ILE A 109 7.644 -0.119 -7.512 1.00 5.49 H new ATOM 0 HD12 ILE A 109 8.158 -1.190 -6.187 1.00 5.49 H new ATOM 0 HD13 ILE A 109 6.512 -0.513 -6.196 1.00 5.49 H new ATOM 1211 N PRO A 110 8.049 -0.464 -1.174 1.00 0.75 N ATOM 1212 CA PRO A 110 6.707 -0.868 -0.733 1.00 0.80 C ATOM 1213 C PRO A 110 5.654 0.176 -1.092 1.00 0.50 C ATOM 1214 O PRO A 110 5.931 1.363 -0.959 1.00 0.45 O ATOM 1215 CB PRO A 110 6.749 -1.102 0.780 1.00 1.09 C ATOM 1216 CG PRO A 110 8.234 -1.221 1.070 1.00 0.75 C ATOM 1217 CD PRO A 110 8.841 -0.268 0.033 1.00 0.77 C ATOM 0 HA PRO A 110 6.422 -1.786 -1.248 1.00 0.80 H new ATOM 0 HB2 PRO A 110 6.296 -0.276 1.328 1.00 1.09 H new ATOM 0 HB3 PRO A 110 6.209 -2.006 1.063 1.00 1.09 H new ATOM 0 HG2 PRO A 110 8.475 -0.921 2.090 1.00 0.75 H new ATOM 0 HG3 PRO A 110 8.593 -2.242 0.945 1.00 0.75 H new ATOM 0 HD2 PRO A 110 8.792 0.767 0.373 1.00 0.77 H new ATOM 0 HD3 PRO A 110 9.892 -0.496 -0.144 1.00 0.77 H new ATOM 1225 N GLN A 111 4.438 -0.226 -1.465 1.00 0.48 N ATOM 1226 CA GLN A 111 3.333 0.705 -1.716 1.00 0.54 C ATOM 1227 C GLN A 111 2.107 0.332 -0.894 1.00 0.61 C ATOM 1228 O GLN A 111 1.956 -0.811 -0.452 1.00 0.61 O ATOM 1229 CB GLN A 111 2.979 0.680 -3.207 1.00 0.78 C ATOM 1230 CG GLN A 111 4.026 1.389 -4.074 1.00 0.92 C ATOM 1231 CD GLN A 111 3.942 0.974 -5.535 1.00 1.18 C ATOM 1232 OE1 GLN A 111 3.403 -0.060 -5.904 1.00 1.90 O ATOM 1233 NE2 GLN A 111 4.458 1.765 -6.436 1.00 2.10 N ATOM 0 H GLN A 111 4.190 -1.206 -1.602 1.00 0.48 H new ATOM 0 HA GLN A 111 3.649 1.706 -1.424 1.00 0.54 H new ATOM 0 HB2 GLN A 111 2.881 -0.355 -3.536 1.00 0.78 H new ATOM 0 HB3 GLN A 111 2.009 1.155 -3.354 1.00 0.78 H new ATOM 0 HG2 GLN A 111 3.889 2.468 -3.996 1.00 0.92 H new ATOM 0 HG3 GLN A 111 5.022 1.166 -3.692 1.00 0.92 H new ATOM 0 HE21 GLN A 111 4.913 2.633 -6.152 1.00 2.10 H new ATOM 0 HE22 GLN A 111 4.406 1.515 -7.424 1.00 2.10 H new ATOM 1242 N VAL A 112 1.179 1.278 -0.773 1.00 0.71 N ATOM 1243 CA VAL A 112 -0.234 0.961 -0.591 1.00 0.60 C ATOM 1244 C VAL A 112 -0.992 1.539 -1.786 1.00 0.60 C ATOM 1245 O VAL A 112 -0.459 2.398 -2.478 1.00 0.90 O ATOM 1246 CB VAL A 112 -0.706 1.384 0.813 1.00 0.51 C ATOM 1247 CG1 VAL A 112 -0.800 2.894 1.039 1.00 0.46 C ATOM 1248 CG2 VAL A 112 -2.038 0.728 1.179 1.00 0.49 C ATOM 0 H VAL A 112 1.383 2.277 -0.798 1.00 0.71 H new ATOM 0 HA VAL A 112 -0.438 -0.110 -0.597 1.00 0.60 H new ATOM 0 HB VAL A 112 0.083 1.026 1.474 1.00 0.51 H new ATOM 0 HG11 VAL A 112 -1.140 3.089 2.056 1.00 0.46 H new ATOM 0 HG12 VAL A 112 0.181 3.346 0.892 1.00 0.46 H new ATOM 0 HG13 VAL A 112 -1.508 3.325 0.331 1.00 0.46 H new ATOM 0 HG21 VAL A 112 -2.340 1.049 2.176 1.00 0.49 H new ATOM 0 HG22 VAL A 112 -2.799 1.023 0.457 1.00 0.49 H new ATOM 0 HG23 VAL A 112 -1.925 -0.356 1.166 1.00 0.49 H new ATOM 1258 N TYR A 113 -2.159 1.013 -2.127 1.00 0.50 N ATOM 1259 CA TYR A 113 -3.164 1.705 -2.951 1.00 0.48 C ATOM 1260 C TYR A 113 -4.466 1.811 -2.144 1.00 0.45 C ATOM 1261 O TYR A 113 -4.845 0.851 -1.464 1.00 0.51 O ATOM 1262 CB TYR A 113 -3.361 0.971 -4.287 1.00 0.43 C ATOM 1263 CG TYR A 113 -2.108 0.954 -5.135 1.00 0.53 C ATOM 1264 CD1 TYR A 113 -1.072 0.065 -4.809 1.00 2.51 C ATOM 1265 CD2 TYR A 113 -1.959 1.827 -6.226 1.00 1.74 C ATOM 1266 CE1 TYR A 113 0.123 0.057 -5.542 1.00 2.64 C ATOM 1267 CE2 TYR A 113 -0.773 1.810 -6.981 1.00 1.67 C ATOM 1268 CZ TYR A 113 0.273 0.928 -6.645 1.00 0.83 C ATOM 1269 OH TYR A 113 1.413 0.943 -7.381 1.00 1.00 O ATOM 0 H TYR A 113 -2.448 0.078 -1.839 1.00 0.50 H new ATOM 0 HA TYR A 113 -2.828 2.712 -3.199 1.00 0.48 H new ATOM 0 HB2 TYR A 113 -3.676 -0.054 -4.091 1.00 0.43 H new ATOM 0 HB3 TYR A 113 -4.166 1.450 -4.845 1.00 0.43 H new ATOM 0 HD1 TYR A 113 -1.197 -0.621 -3.984 1.00 2.51 H new ATOM 0 HD2 TYR A 113 -2.755 2.510 -6.484 1.00 1.74 H new ATOM 0 HE1 TYR A 113 0.925 -0.611 -5.265 1.00 2.64 H new ATOM 0 HE2 TYR A 113 -0.663 2.477 -7.823 1.00 1.67 H new ATOM 0 HH TYR A 113 2.055 0.306 -7.003 1.00 1.00 H new ATOM 1279 N LEU A 114 -5.143 2.965 -2.196 1.00 0.42 N ATOM 1280 CA LEU A 114 -6.421 3.190 -1.508 1.00 0.45 C ATOM 1281 C LEU A 114 -7.571 3.284 -2.497 1.00 0.46 C ATOM 1282 O LEU A 114 -7.532 4.120 -3.400 1.00 0.48 O ATOM 1283 CB LEU A 114 -6.401 4.410 -0.578 1.00 0.45 C ATOM 1284 CG LEU A 114 -6.143 4.034 0.891 1.00 0.51 C ATOM 1285 CD1 LEU A 114 -4.756 3.451 1.103 1.00 0.50 C ATOM 1286 CD2 LEU A 114 -6.353 5.264 1.769 1.00 0.59 C ATOM 0 H LEU A 114 -4.816 3.776 -2.721 1.00 0.42 H new ATOM 0 HA LEU A 114 -6.578 2.318 -0.873 1.00 0.45 H new ATOM 0 HB2 LEU A 114 -5.629 5.103 -0.912 1.00 0.45 H new ATOM 0 HB3 LEU A 114 -7.354 4.934 -0.652 1.00 0.45 H new ATOM 0 HG LEU A 114 -6.852 3.255 1.171 1.00 0.51 H new ATOM 0 HD11 LEU A 114 -4.623 3.202 2.156 1.00 0.50 H new ATOM 0 HD12 LEU A 114 -4.644 2.550 0.500 1.00 0.50 H new ATOM 0 HD13 LEU A 114 -4.005 4.182 0.806 1.00 0.50 H new ATOM 0 HD21 LEU A 114 -6.171 5.002 2.811 1.00 0.59 H new ATOM 0 HD22 LEU A 114 -5.661 6.050 1.466 1.00 0.59 H new ATOM 0 HD23 LEU A 114 -7.377 5.620 1.658 1.00 0.59 H new ATOM 1298 N ASN A 115 -8.610 2.463 -2.307 1.00 0.49 N ATOM 1299 CA ASN A 115 -9.746 2.391 -3.238 1.00 0.51 C ATOM 1300 C ASN A 115 -9.290 2.128 -4.693 1.00 0.53 C ATOM 1301 O ASN A 115 -9.733 2.775 -5.643 1.00 0.65 O ATOM 1302 CB ASN A 115 -10.593 3.659 -3.073 1.00 0.53 C ATOM 1303 CG ASN A 115 -12.063 3.432 -3.348 1.00 0.59 C ATOM 1304 OD1 ASN A 115 -12.498 2.421 -3.887 1.00 0.65 O ATOM 1305 ND2 ASN A 115 -12.880 4.354 -2.922 1.00 0.66 N ATOM 0 H ASN A 115 -8.689 1.833 -1.509 1.00 0.49 H new ATOM 0 HA ASN A 115 -10.372 1.533 -2.995 1.00 0.51 H new ATOM 0 HB2 ASN A 115 -10.474 4.038 -2.058 1.00 0.53 H new ATOM 0 HB3 ASN A 115 -10.218 4.429 -3.747 1.00 0.53 H new ATOM 0 HD21 ASN A 115 -13.887 4.236 -3.037 1.00 0.66 H new ATOM 0 HD22 ASN A 115 -12.513 5.194 -2.474 1.00 0.66 H new ATOM 1312 N GLY A 116 -8.312 1.233 -4.855 1.00 0.50 N ATOM 1313 CA GLY A 116 -7.605 0.981 -6.111 1.00 0.52 C ATOM 1314 C GLY A 116 -6.688 2.096 -6.640 1.00 0.58 C ATOM 1315 O GLY A 116 -6.156 1.959 -7.740 1.00 0.69 O ATOM 0 H GLY A 116 -7.981 0.645 -4.090 1.00 0.50 H new ATOM 0 HA2 GLY A 116 -7.003 0.081 -5.985 1.00 0.52 H new ATOM 0 HA3 GLY A 116 -8.348 0.763 -6.878 1.00 0.52 H new ATOM 1319 N GLU A 117 -6.513 3.214 -5.933 1.00 0.59 N ATOM 1320 CA GLU A 117 -5.801 4.395 -6.436 1.00 0.60 C ATOM 1321 C GLU A 117 -4.479 4.653 -5.718 1.00 0.54 C ATOM 1322 O GLU A 117 -4.308 4.398 -4.526 1.00 0.53 O ATOM 1323 CB GLU A 117 -6.727 5.612 -6.422 1.00 0.66 C ATOM 1324 CG GLU A 117 -6.162 6.849 -7.101 1.00 0.71 C ATOM 1325 CD GLU A 117 -7.248 7.907 -7.312 1.00 0.93 C ATOM 1326 OE1 GLU A 117 -8.071 7.741 -8.249 1.00 1.67 O ATOM 1327 OE2 GLU A 117 -7.283 8.898 -6.539 1.00 1.49 O ATOM 0 H GLU A 117 -6.865 3.328 -4.983 1.00 0.59 H new ATOM 0 HA GLU A 117 -5.519 4.194 -7.469 1.00 0.60 H new ATOM 0 HB2 GLU A 117 -7.665 5.343 -6.909 1.00 0.66 H new ATOM 0 HB3 GLU A 117 -6.964 5.859 -5.387 1.00 0.66 H new ATOM 0 HG2 GLU A 117 -5.358 7.265 -6.494 1.00 0.71 H new ATOM 0 HG3 GLU A 117 -5.727 6.574 -8.062 1.00 0.71 H new ATOM 1334 N PHE A 118 -3.528 5.157 -6.493 1.00 0.54 N ATOM 1335 CA PHE A 118 -2.170 5.447 -6.075 1.00 0.50 C ATOM 1336 C PHE A 118 -2.060 6.733 -5.271 1.00 0.50 C ATOM 1337 O PHE A 118 -2.685 7.762 -5.525 1.00 0.59 O ATOM 1338 CB PHE A 118 -1.278 5.461 -7.316 1.00 0.55 C ATOM 1339 CG PHE A 118 0.215 5.654 -7.112 1.00 0.69 C ATOM 1340 CD1 PHE A 118 0.927 5.075 -6.037 1.00 1.69 C ATOM 1341 CD2 PHE A 118 0.907 6.386 -8.090 1.00 2.04 C ATOM 1342 CE1 PHE A 118 2.329 5.192 -5.989 1.00 1.70 C ATOM 1343 CE2 PHE A 118 2.301 6.539 -8.015 1.00 2.27 C ATOM 1344 CZ PHE A 118 3.014 5.931 -6.969 1.00 1.24 C ATOM 0 H PHE A 118 -3.693 5.384 -7.474 1.00 0.54 H new ATOM 0 HA PHE A 118 -1.835 4.665 -5.393 1.00 0.50 H new ATOM 0 HB2 PHE A 118 -1.425 4.519 -7.845 1.00 0.55 H new ATOM 0 HB3 PHE A 118 -1.632 6.255 -7.974 1.00 0.55 H new ATOM 0 HD1 PHE A 118 0.399 4.546 -5.257 1.00 1.69 H new ATOM 0 HD2 PHE A 118 0.362 6.835 -8.907 1.00 2.04 H new ATOM 0 HE1 PHE A 118 2.881 4.711 -5.195 1.00 1.70 H new ATOM 0 HE2 PHE A 118 2.823 7.122 -8.759 1.00 2.27 H new ATOM 0 HZ PHE A 118 4.088 6.031 -6.918 1.00 1.24 H new ATOM 1354 N VAL A 119 -1.217 6.569 -4.269 1.00 0.44 N ATOM 1355 CA VAL A 119 -1.111 7.282 -3.010 1.00 0.65 C ATOM 1356 C VAL A 119 0.377 7.592 -2.821 1.00 0.93 C ATOM 1357 O VAL A 119 0.773 8.757 -2.849 1.00 1.32 O ATOM 1358 CB VAL A 119 -1.705 6.395 -1.886 1.00 1.16 C ATOM 1359 CG1 VAL A 119 -3.204 6.611 -1.638 1.00 1.08 C ATOM 1360 CG2 VAL A 119 -1.601 4.919 -2.167 1.00 2.80 C ATOM 0 H VAL A 119 -0.503 5.843 -4.327 1.00 0.44 H new ATOM 0 HA VAL A 119 -1.670 8.217 -2.989 1.00 0.65 H new ATOM 0 HB VAL A 119 -1.105 6.700 -1.029 1.00 1.16 H new ATOM 0 HG11 VAL A 119 -3.539 5.952 -0.837 1.00 1.08 H new ATOM 0 HG12 VAL A 119 -3.380 7.648 -1.352 1.00 1.08 H new ATOM 0 HG13 VAL A 119 -3.760 6.386 -2.549 1.00 1.08 H new ATOM 0 HG21 VAL A 119 -2.036 4.359 -1.339 1.00 2.80 H new ATOM 0 HG22 VAL A 119 -2.139 4.685 -3.086 1.00 2.80 H new ATOM 0 HG23 VAL A 119 -0.553 4.643 -2.280 1.00 2.80 H new ATOM 1370 N GLY A 120 1.214 6.548 -2.800 1.00 0.86 N ATOM 1371 CA GLY A 120 2.667 6.629 -2.915 1.00 0.92 C ATOM 1372 C GLY A 120 3.406 5.387 -2.403 1.00 0.64 C ATOM 1373 O GLY A 120 2.796 4.478 -1.832 1.00 0.56 O ATOM 0 H GLY A 120 0.881 5.589 -2.698 1.00 0.86 H new ATOM 0 HA2 GLY A 120 2.930 6.789 -3.961 1.00 0.92 H new ATOM 0 HA3 GLY A 120 3.016 7.500 -2.361 1.00 0.92 H new ATOM 1377 N GLY A 121 4.724 5.363 -2.611 1.00 0.67 N ATOM 1378 CA GLY A 121 5.650 4.421 -1.978 1.00 0.57 C ATOM 1379 C GLY A 121 5.877 4.712 -0.488 1.00 0.50 C ATOM 1380 O GLY A 121 5.434 5.744 0.022 1.00 0.48 O ATOM 0 H GLY A 121 5.190 6.016 -3.241 1.00 0.67 H new ATOM 0 HA2 GLY A 121 5.262 3.408 -2.090 1.00 0.57 H new ATOM 0 HA3 GLY A 121 6.607 4.455 -2.499 1.00 0.57 H new ATOM 1384 N CYS A 122 6.571 3.826 0.232 1.00 0.56 N ATOM 1385 CA CYS A 122 6.755 3.960 1.679 1.00 0.64 C ATOM 1386 C CYS A 122 7.504 5.239 2.118 1.00 0.75 C ATOM 1387 O CYS A 122 7.207 5.786 3.180 1.00 0.80 O ATOM 1388 CB CYS A 122 7.380 2.674 2.246 1.00 0.89 C ATOM 1389 SG CYS A 122 7.075 2.742 4.038 1.00 1.24 S ATOM 0 H CYS A 122 7.018 3.001 -0.169 1.00 0.56 H new ATOM 0 HA CYS A 122 5.764 4.090 2.113 1.00 0.64 H new ATOM 0 HB2 CYS A 122 6.926 1.788 1.803 1.00 0.89 H new ATOM 0 HB3 CYS A 122 8.447 2.627 2.030 1.00 0.89 H new ATOM 0 HG CYS A 122 6.985 3.983 4.416 1.00 1.24 H new ATOM 1395 N ASP A 123 8.414 5.772 1.299 1.00 0.86 N ATOM 1396 CA ASP A 123 9.069 7.068 1.548 1.00 0.93 C ATOM 1397 C ASP A 123 8.085 8.253 1.426 1.00 0.85 C ATOM 1398 O ASP A 123 8.179 9.215 2.190 1.00 0.97 O ATOM 1399 CB ASP A 123 10.249 7.211 0.574 1.00 1.11 C ATOM 1400 CG ASP A 123 11.075 8.484 0.785 1.00 1.16 C ATOM 1401 OD1 ASP A 123 11.680 8.659 1.872 1.00 2.41 O ATOM 1402 OD2 ASP A 123 11.177 9.297 -0.166 1.00 1.65 O ATOM 0 H ASP A 123 8.722 5.318 0.439 1.00 0.86 H new ATOM 0 HA ASP A 123 9.434 7.091 2.575 1.00 0.93 H new ATOM 0 HB2 ASP A 123 10.902 6.344 0.679 1.00 1.11 H new ATOM 0 HB3 ASP A 123 9.868 7.201 -0.447 1.00 1.11 H new ATOM 1407 N ILE A 124 7.102 8.168 0.524 1.00 0.70 N ATOM 1408 CA ILE A 124 6.036 9.174 0.355 1.00 0.67 C ATOM 1409 C ILE A 124 4.998 9.069 1.475 1.00 0.54 C ATOM 1410 O ILE A 124 4.600 10.076 2.062 1.00 0.53 O ATOM 1411 CB ILE A 124 5.386 9.037 -1.033 1.00 0.67 C ATOM 1412 CG1 ILE A 124 6.417 9.257 -2.153 1.00 0.79 C ATOM 1413 CG2 ILE A 124 4.198 9.999 -1.193 1.00 0.68 C ATOM 1414 CD1 ILE A 124 7.134 10.616 -2.186 1.00 1.47 C ATOM 0 H ILE A 124 7.019 7.385 -0.124 1.00 0.70 H new ATOM 0 HA ILE A 124 6.483 10.166 0.421 1.00 0.67 H new ATOM 0 HB ILE A 124 5.006 8.019 -1.116 1.00 0.67 H new ATOM 0 HG12 ILE A 124 7.174 8.477 -2.074 1.00 0.79 H new ATOM 0 HG13 ILE A 124 5.913 9.117 -3.109 1.00 0.79 H new ATOM 0 HG21 ILE A 124 3.762 9.877 -2.184 1.00 0.68 H new ATOM 0 HG22 ILE A 124 3.446 9.778 -0.436 1.00 0.68 H new ATOM 0 HG23 ILE A 124 4.543 11.026 -1.073 1.00 0.68 H new ATOM 0 HD11 ILE A 124 7.832 10.639 -3.023 1.00 1.47 H new ATOM 0 HD12 ILE A 124 6.399 11.412 -2.305 1.00 1.47 H new ATOM 0 HD13 ILE A 124 7.680 10.762 -1.254 1.00 1.47 H new ATOM 1426 N LEU A 125 4.608 7.841 1.823 1.00 0.45 N ATOM 1427 CA LEU A 125 3.691 7.528 2.928 1.00 0.39 C ATOM 1428 C LEU A 125 4.110 8.206 4.248 1.00 0.44 C ATOM 1429 O LEU A 125 3.257 8.689 4.993 1.00 0.45 O ATOM 1430 CB LEU A 125 3.660 5.994 3.095 1.00 0.38 C ATOM 1431 CG LEU A 125 2.559 5.466 4.032 1.00 0.58 C ATOM 1432 CD1 LEU A 125 1.176 5.573 3.392 1.00 0.77 C ATOM 1433 CD2 LEU A 125 2.795 3.986 4.333 1.00 0.60 C ATOM 0 H LEU A 125 4.930 7.009 1.330 1.00 0.45 H new ATOM 0 HA LEU A 125 2.700 7.914 2.688 1.00 0.39 H new ATOM 0 HB2 LEU A 125 3.530 5.539 2.113 1.00 0.38 H new ATOM 0 HB3 LEU A 125 4.628 5.665 3.474 1.00 0.38 H new ATOM 0 HG LEU A 125 2.598 6.071 4.938 1.00 0.58 H new ATOM 0 HD11 LEU A 125 0.425 5.191 4.083 1.00 0.77 H new ATOM 0 HD12 LEU A 125 0.961 6.617 3.163 1.00 0.77 H new ATOM 0 HD13 LEU A 125 1.154 4.988 2.473 1.00 0.77 H new ATOM 0 HD21 LEU A 125 2.012 3.620 4.997 1.00 0.60 H new ATOM 0 HD22 LEU A 125 2.777 3.418 3.403 1.00 0.60 H new ATOM 0 HD23 LEU A 125 3.765 3.863 4.815 1.00 0.60 H new ATOM 1445 N LEU A 126 5.421 8.297 4.494 1.00 0.56 N ATOM 1446 CA LEU A 126 6.029 8.886 5.697 1.00 0.71 C ATOM 1447 C LEU A 126 5.823 10.408 5.757 1.00 0.76 C ATOM 1448 O LEU A 126 5.792 10.993 6.833 1.00 0.91 O ATOM 1449 CB LEU A 126 7.533 8.519 5.704 1.00 0.81 C ATOM 1450 CG LEU A 126 8.251 8.380 7.063 1.00 0.83 C ATOM 1451 CD1 LEU A 126 8.217 9.618 7.956 1.00 0.74 C ATOM 1452 CD2 LEU A 126 7.684 7.232 7.891 1.00 1.07 C ATOM 0 H LEU A 126 6.118 7.949 3.835 1.00 0.56 H new ATOM 0 HA LEU A 126 5.543 8.482 6.585 1.00 0.71 H new ATOM 0 HB2 LEU A 126 7.646 7.575 5.171 1.00 0.81 H new ATOM 0 HB3 LEU A 126 8.062 9.277 5.126 1.00 0.81 H new ATOM 0 HG LEU A 126 9.284 8.202 6.766 1.00 0.83 H new ATOM 0 HD11 LEU A 126 8.750 9.412 8.884 1.00 0.74 H new ATOM 0 HD12 LEU A 126 8.695 10.451 7.441 1.00 0.74 H new ATOM 0 HD13 LEU A 126 7.182 9.876 8.181 1.00 0.74 H new ATOM 0 HD21 LEU A 126 8.218 7.169 8.839 1.00 1.07 H new ATOM 0 HD22 LEU A 126 6.625 7.409 8.081 1.00 1.07 H new ATOM 0 HD23 LEU A 126 7.803 6.296 7.345 1.00 1.07 H new ATOM 1464 N GLN A 127 5.635 11.068 4.618 1.00 0.69 N ATOM 1465 CA GLN A 127 5.278 12.481 4.551 1.00 0.69 C ATOM 1466 C GLN A 127 3.763 12.674 4.659 1.00 0.50 C ATOM 1467 O GLN A 127 3.275 13.401 5.528 1.00 0.55 O ATOM 1468 CB GLN A 127 5.830 13.030 3.232 1.00 0.81 C ATOM 1469 CG GLN A 127 7.339 12.767 3.067 1.00 1.26 C ATOM 1470 CD GLN A 127 8.163 13.284 4.247 1.00 1.50 C ATOM 1471 OE1 GLN A 127 7.900 14.335 4.817 1.00 1.64 O ATOM 1472 NE2 GLN A 127 9.174 12.559 4.674 1.00 1.80 N ATOM 0 H GLN A 127 5.728 10.629 3.702 1.00 0.69 H new ATOM 0 HA GLN A 127 5.711 13.026 5.390 1.00 0.69 H new ATOM 0 HB2 GLN A 127 5.292 12.575 2.400 1.00 0.81 H new ATOM 0 HB3 GLN A 127 5.644 14.103 3.183 1.00 0.81 H new ATOM 0 HG2 GLN A 127 7.506 11.696 2.954 1.00 1.26 H new ATOM 0 HG3 GLN A 127 7.688 13.242 2.150 1.00 1.26 H new ATOM 0 HE21 GLN A 127 9.405 11.681 4.209 1.00 1.80 H new ATOM 0 HE22 GLN A 127 9.727 12.875 5.471 1.00 1.80 H new ATOM 1481 N MET A 128 2.998 11.938 3.847 1.00 0.40 N ATOM 1482 CA MET A 128 1.541 12.058 3.787 1.00 0.39 C ATOM 1483 C MET A 128 0.846 11.729 5.115 1.00 0.38 C ATOM 1484 O MET A 128 -0.218 12.271 5.416 1.00 0.44 O ATOM 1485 CB MET A 128 1.034 11.101 2.719 1.00 0.40 C ATOM 1486 CG MET A 128 1.502 11.462 1.311 1.00 0.51 C ATOM 1487 SD MET A 128 0.721 10.443 0.039 1.00 0.63 S ATOM 1488 CE MET A 128 -0.938 11.129 0.187 1.00 0.63 C ATOM 0 H MET A 128 3.377 11.238 3.209 1.00 0.40 H new ATOM 0 HA MET A 128 1.306 13.097 3.558 1.00 0.39 H new ATOM 0 HB2 MET A 128 1.369 10.091 2.958 1.00 0.40 H new ATOM 0 HB3 MET A 128 -0.056 11.089 2.740 1.00 0.40 H new ATOM 0 HG2 MET A 128 1.282 12.512 1.117 1.00 0.51 H new ATOM 0 HG3 MET A 128 2.584 11.347 1.251 1.00 0.51 H new ATOM 0 HE1 MET A 128 -1.630 10.345 0.495 1.00 0.63 H new ATOM 0 HE2 MET A 128 -0.937 11.925 0.931 1.00 0.63 H new ATOM 0 HE3 MET A 128 -1.252 11.532 -0.776 1.00 0.63 H new ATOM 1498 N HIS A 129 1.452 10.861 5.927 1.00 0.37 N ATOM 1499 CA HIS A 129 1.009 10.574 7.304 1.00 0.41 C ATOM 1500 C HIS A 129 0.885 11.840 8.151 1.00 0.53 C ATOM 1501 O HIS A 129 -0.056 12.040 8.924 1.00 0.56 O ATOM 1502 CB HIS A 129 2.063 9.707 7.997 1.00 0.44 C ATOM 1503 CG HIS A 129 1.679 9.181 9.348 1.00 0.48 C ATOM 1504 ND1 HIS A 129 0.507 8.574 9.736 1.00 0.44 N ATOM 1505 CD2 HIS A 129 2.482 9.238 10.445 1.00 0.62 C ATOM 1506 CE1 HIS A 129 0.634 8.216 11.021 1.00 0.54 C ATOM 1507 NE2 HIS A 129 1.809 8.641 11.514 1.00 0.67 N ATOM 0 H HIS A 129 2.276 10.328 5.649 1.00 0.37 H new ATOM 0 HA HIS A 129 0.038 10.086 7.226 1.00 0.41 H new ATOM 0 HB2 HIS A 129 2.296 8.861 7.350 1.00 0.44 H new ATOM 0 HB3 HIS A 129 2.978 10.291 8.100 1.00 0.44 H new ATOM 0 HD2 HIS A 129 3.471 9.671 10.483 1.00 0.62 H new ATOM 0 HE1 HIS A 129 -0.105 7.663 11.582 1.00 0.54 H new ATOM 0 HE2 HIS A 129 2.142 8.547 12.473 1.00 0.67 H new ATOM 1515 N GLN A 130 1.948 12.628 8.061 1.00 0.59 N ATOM 1516 CA GLN A 130 2.331 13.635 9.029 1.00 0.73 C ATOM 1517 C GLN A 130 1.810 15.026 8.623 1.00 0.75 C ATOM 1518 O GLN A 130 1.574 15.884 9.473 1.00 0.90 O ATOM 1519 CB GLN A 130 3.846 13.536 9.199 1.00 0.80 C ATOM 1520 CG GLN A 130 4.295 12.120 9.531 1.00 0.84 C ATOM 1521 CD GLN A 130 5.598 12.088 10.319 1.00 0.98 C ATOM 1522 OE1 GLN A 130 5.631 12.097 11.547 1.00 1.30 O ATOM 1523 NE2 GLN A 130 6.700 12.093 9.606 1.00 0.91 N ATOM 0 H GLN A 130 2.594 12.576 7.273 1.00 0.59 H new ATOM 0 HA GLN A 130 1.870 13.465 10.002 1.00 0.73 H new ATOM 0 HB2 GLN A 130 4.335 13.865 8.282 1.00 0.80 H new ATOM 0 HB3 GLN A 130 4.166 14.212 9.992 1.00 0.80 H new ATOM 0 HG2 GLN A 130 3.515 11.621 10.106 1.00 0.84 H new ATOM 0 HG3 GLN A 130 4.420 11.556 8.606 1.00 0.84 H new ATOM 0 HE21 GLN A 130 6.648 12.085 8.587 1.00 0.91 H new ATOM 0 HE22 GLN A 130 7.608 12.105 10.071 1.00 0.91 H new ATOM 1532 N ASN A 131 1.570 15.222 7.321 1.00 0.63 N ATOM 1533 CA ASN A 131 0.730 16.289 6.772 1.00 0.67 C ATOM 1534 C ASN A 131 -0.774 15.926 6.819 1.00 0.74 C ATOM 1535 O ASN A 131 -1.610 16.822 6.939 1.00 0.92 O ATOM 1536 CB ASN A 131 1.253 16.644 5.367 1.00 0.64 C ATOM 1537 CG ASN A 131 0.222 16.369 4.301 1.00 1.22 C ATOM 1538 OD1 ASN A 131 0.048 15.243 3.869 1.00 3.03 O ATOM 1539 ND2 ASN A 131 -0.583 17.346 3.965 1.00 1.03 N ATOM 0 H ASN A 131 1.969 14.622 6.599 1.00 0.63 H new ATOM 0 HA ASN A 131 0.802 17.183 7.391 1.00 0.67 H new ATOM 0 HB2 ASN A 131 1.534 17.697 5.339 1.00 0.64 H new ATOM 0 HB3 ASN A 131 2.155 16.068 5.158 1.00 0.64 H new ATOM 0 HD21 ASN A 131 -1.366 17.168 3.335 1.00 1.03 H new ATOM 0 HD22 ASN A 131 -0.427 18.284 4.333 1.00 1.03 H new ATOM 1546 N GLY A 132 -1.140 14.640 6.736 1.00 0.67 N ATOM 1547 CA GLY A 132 -2.516 14.175 6.938 1.00 0.71 C ATOM 1548 C GLY A 132 -3.300 13.922 5.652 1.00 0.70 C ATOM 1549 O GLY A 132 -4.506 13.682 5.702 1.00 0.78 O ATOM 0 H GLY A 132 -0.483 13.888 6.525 1.00 0.67 H new ATOM 0 HA2 GLY A 132 -2.492 13.254 7.520 1.00 0.71 H new ATOM 0 HA3 GLY A 132 -3.051 14.914 7.534 1.00 0.71 H new ATOM 1553 N ASP A 133 -2.636 13.886 4.500 1.00 0.67 N ATOM 1554 CA ASP A 133 -3.248 13.582 3.207 1.00 0.71 C ATOM 1555 C ASP A 133 -3.664 12.104 3.100 1.00 0.62 C ATOM 1556 O ASP A 133 -4.357 11.736 2.152 1.00 0.78 O ATOM 1557 CB ASP A 133 -2.304 14.013 2.072 1.00 0.76 C ATOM 1558 CG ASP A 133 -2.221 15.537 1.877 1.00 0.76 C ATOM 1559 OD1 ASP A 133 -2.901 16.310 2.593 1.00 1.81 O ATOM 1560 OD2 ASP A 133 -1.464 15.993 0.985 1.00 1.97 O ATOM 0 H ASP A 133 -1.635 14.071 4.437 1.00 0.67 H new ATOM 0 HA ASP A 133 -4.171 14.154 3.114 1.00 0.71 H new ATOM 0 HB2 ASP A 133 -1.305 13.628 2.277 1.00 0.76 H new ATOM 0 HB3 ASP A 133 -2.638 13.555 1.141 1.00 0.76 H new ATOM 1565 N LEU A 134 -3.285 11.245 4.066 1.00 0.46 N ATOM 1566 CA LEU A 134 -3.797 9.872 4.126 1.00 0.38 C ATOM 1567 C LEU A 134 -5.207 9.831 4.719 1.00 0.39 C ATOM 1568 O LEU A 134 -5.993 8.927 4.461 1.00 0.39 O ATOM 1569 CB LEU A 134 -2.880 8.980 4.986 1.00 0.32 C ATOM 1570 CG LEU A 134 -1.418 8.896 4.534 1.00 0.32 C ATOM 1571 CD1 LEU A 134 -0.657 7.898 5.405 1.00 0.31 C ATOM 1572 CD2 LEU A 134 -1.287 8.487 3.070 1.00 0.36 C ATOM 0 H LEU A 134 -2.629 11.481 4.810 1.00 0.46 H new ATOM 0 HA LEU A 134 -3.822 9.498 3.103 1.00 0.38 H new ATOM 0 HB2 LEU A 134 -2.903 9.349 6.011 1.00 0.32 H new ATOM 0 HB3 LEU A 134 -3.295 7.972 5.001 1.00 0.32 H new ATOM 0 HG LEU A 134 -0.992 9.893 4.643 1.00 0.32 H new ATOM 0 HD11 LEU A 134 0.381 7.845 5.076 1.00 0.31 H new ATOM 0 HD12 LEU A 134 -0.692 8.222 6.445 1.00 0.31 H new ATOM 0 HD13 LEU A 134 -1.116 6.913 5.316 1.00 0.31 H new ATOM 0 HD21 LEU A 134 -0.232 8.442 2.798 1.00 0.36 H new ATOM 0 HD22 LEU A 134 -1.742 7.507 2.924 1.00 0.36 H new ATOM 0 HD23 LEU A 134 -1.793 9.219 2.441 1.00 0.36 H new ATOM 1584 N VAL A 135 -5.517 10.818 5.550 1.00 0.44 N ATOM 1585 CA VAL A 135 -6.670 10.844 6.448 1.00 0.44 C ATOM 1586 C VAL A 135 -7.920 11.252 5.690 1.00 0.48 C ATOM 1587 O VAL A 135 -8.976 10.637 5.830 1.00 0.54 O ATOM 1588 CB VAL A 135 -6.383 11.847 7.567 1.00 0.47 C ATOM 1589 CG1 VAL A 135 -7.353 11.678 8.708 1.00 0.51 C ATOM 1590 CG2 VAL A 135 -5.031 11.543 8.202 1.00 0.45 C ATOM 0 H VAL A 135 -4.947 11.661 5.621 1.00 0.44 H new ATOM 0 HA VAL A 135 -6.837 9.852 6.867 1.00 0.44 H new ATOM 0 HB VAL A 135 -6.440 12.837 7.114 1.00 0.47 H new ATOM 0 HG11 VAL A 135 -7.126 12.403 9.489 1.00 0.51 H new ATOM 0 HG12 VAL A 135 -8.369 11.838 8.348 1.00 0.51 H new ATOM 0 HG13 VAL A 135 -7.266 10.670 9.113 1.00 0.51 H new ATOM 0 HG21 VAL A 135 -4.833 12.261 8.998 1.00 0.45 H new ATOM 0 HG22 VAL A 135 -5.042 10.535 8.617 1.00 0.45 H new ATOM 0 HG23 VAL A 135 -4.249 11.615 7.446 1.00 0.45 H new ATOM 1600 N GLU A 136 -7.763 12.261 4.835 1.00 0.47 N ATOM 1601 CA GLU A 136 -8.768 12.753 3.890 1.00 0.50 C ATOM 1602 C GLU A 136 -8.940 11.755 2.726 1.00 0.53 C ATOM 1603 O GLU A 136 -9.969 11.743 2.059 1.00 0.84 O ATOM 1604 CB GLU A 136 -8.327 14.120 3.334 1.00 0.62 C ATOM 1605 CG GLU A 136 -7.780 15.082 4.401 1.00 1.08 C ATOM 1606 CD GLU A 136 -8.746 15.317 5.574 1.00 1.63 C ATOM 1607 OE1 GLU A 136 -9.982 15.266 5.369 1.00 2.42 O ATOM 1608 OE2 GLU A 136 -8.280 15.493 6.730 1.00 2.57 O ATOM 0 H GLU A 136 -6.889 12.784 4.778 1.00 0.47 H new ATOM 0 HA GLU A 136 -9.720 12.858 4.410 1.00 0.50 H new ATOM 0 HB2 GLU A 136 -7.561 13.962 2.575 1.00 0.62 H new ATOM 0 HB3 GLU A 136 -9.176 14.590 2.837 1.00 0.62 H new ATOM 0 HG2 GLU A 136 -6.842 14.685 4.788 1.00 1.08 H new ATOM 0 HG3 GLU A 136 -7.552 16.039 3.932 1.00 1.08 H new ATOM 1615 N GLU A 137 -7.949 10.889 2.498 1.00 0.43 N ATOM 1616 CA GLU A 137 -8.086 9.716 1.617 1.00 0.46 C ATOM 1617 C GLU A 137 -8.921 8.600 2.275 1.00 0.46 C ATOM 1618 O GLU A 137 -9.883 8.126 1.679 1.00 0.56 O ATOM 1619 CB GLU A 137 -6.701 9.202 1.190 1.00 0.49 C ATOM 1620 CG GLU A 137 -6.716 8.490 -0.175 1.00 0.86 C ATOM 1621 CD GLU A 137 -6.959 9.426 -1.370 1.00 0.68 C ATOM 1622 OE1 GLU A 137 -6.739 10.654 -1.265 1.00 1.72 O ATOM 1623 OE2 GLU A 137 -7.346 8.943 -2.461 1.00 2.06 O ATOM 0 H GLU A 137 -7.024 10.978 2.919 1.00 0.43 H new ATOM 0 HA GLU A 137 -8.626 10.029 0.724 1.00 0.46 H new ATOM 0 HB2 GLU A 137 -6.006 10.041 1.148 1.00 0.49 H new ATOM 0 HB3 GLU A 137 -6.326 8.514 1.948 1.00 0.49 H new ATOM 0 HG2 GLU A 137 -5.764 7.978 -0.316 1.00 0.86 H new ATOM 0 HG3 GLU A 137 -7.491 7.724 -0.164 1.00 0.86 H new ATOM 1630 N LEU A 138 -8.630 8.231 3.531 1.00 0.44 N ATOM 1631 CA LEU A 138 -9.417 7.271 4.329 1.00 0.45 C ATOM 1632 C LEU A 138 -10.883 7.722 4.506 1.00 0.47 C ATOM 1633 O LEU A 138 -11.803 6.902 4.460 1.00 0.48 O ATOM 1634 CB LEU A 138 -8.717 7.091 5.694 1.00 0.41 C ATOM 1635 CG LEU A 138 -7.451 6.213 5.672 1.00 0.40 C ATOM 1636 CD1 LEU A 138 -6.725 6.324 7.016 1.00 0.41 C ATOM 1637 CD2 LEU A 138 -7.765 4.737 5.431 1.00 0.42 C ATOM 0 H LEU A 138 -7.823 8.599 4.035 1.00 0.44 H new ATOM 0 HA LEU A 138 -9.460 6.318 3.801 1.00 0.45 H new ATOM 0 HB2 LEU A 138 -8.451 8.075 6.080 1.00 0.41 H new ATOM 0 HB3 LEU A 138 -9.429 6.656 6.395 1.00 0.41 H new ATOM 0 HG LEU A 138 -6.832 6.575 4.851 1.00 0.40 H new ATOM 0 HD11 LEU A 138 -5.830 5.702 6.998 1.00 0.41 H new ATOM 0 HD12 LEU A 138 -6.443 7.362 7.192 1.00 0.41 H new ATOM 0 HD13 LEU A 138 -7.385 5.987 7.815 1.00 0.41 H new ATOM 0 HD21 LEU A 138 -6.838 4.164 5.425 1.00 0.42 H new ATOM 0 HD22 LEU A 138 -8.414 4.369 6.225 1.00 0.42 H new ATOM 0 HD23 LEU A 138 -8.267 4.624 4.470 1.00 0.42 H new ATOM 1649 N LYS A 139 -11.092 9.040 4.601 1.00 0.52 N ATOM 1650 CA LYS A 139 -12.372 9.773 4.505 1.00 0.66 C ATOM 1651 C LYS A 139 -13.245 9.276 3.339 1.00 0.75 C ATOM 1652 O LYS A 139 -14.412 8.951 3.560 1.00 0.81 O ATOM 1653 CB LYS A 139 -12.028 11.264 4.366 1.00 1.22 C ATOM 1654 CG LYS A 139 -12.400 12.193 5.522 1.00 1.54 C ATOM 1655 CD LYS A 139 -11.835 11.813 6.894 1.00 1.24 C ATOM 1656 CE LYS A 139 -10.718 12.693 7.466 1.00 1.11 C ATOM 1657 NZ LYS A 139 -11.059 14.130 7.584 1.00 1.44 N ATOM 0 H LYS A 139 -10.312 9.678 4.760 1.00 0.52 H new ATOM 0 HA LYS A 139 -12.969 9.600 5.400 1.00 0.66 H new ATOM 0 HB2 LYS A 139 -10.953 11.346 4.203 1.00 1.22 H new ATOM 0 HB3 LYS A 139 -12.516 11.638 3.466 1.00 1.22 H new ATOM 0 HG2 LYS A 139 -12.061 13.200 5.277 1.00 1.54 H new ATOM 0 HG3 LYS A 139 -13.487 12.232 5.596 1.00 1.54 H new ATOM 0 HD2 LYS A 139 -12.659 11.808 7.608 1.00 1.24 H new ATOM 0 HD3 LYS A 139 -11.461 10.791 6.833 1.00 1.24 H new ATOM 0 HE2 LYS A 139 -10.447 12.316 8.452 1.00 1.11 H new ATOM 0 HE3 LYS A 139 -9.836 12.594 6.833 1.00 1.11 H new ATOM 0 HZ1 LYS A 139 -10.377 14.598 8.214 1.00 1.44 H new ATOM 0 HZ2 LYS A 139 -11.023 14.574 6.644 1.00 1.44 H new ATOM 0 HZ3 LYS A 139 -12.017 14.228 7.977 1.00 1.44 H new ATOM 1671 N LYS A 140 -12.682 9.099 2.130 1.00 0.88 N ATOM 1672 CA LYS A 140 -13.396 8.600 0.935 1.00 1.04 C ATOM 1673 C LYS A 140 -13.957 7.184 1.086 1.00 0.99 C ATOM 1674 O LYS A 140 -14.922 6.844 0.401 1.00 1.15 O ATOM 1675 CB LYS A 140 -12.457 8.584 -0.279 1.00 1.35 C ATOM 1676 CG LYS A 140 -11.756 9.913 -0.571 1.00 1.49 C ATOM 1677 CD LYS A 140 -10.809 9.713 -1.756 1.00 1.96 C ATOM 1678 CE LYS A 140 -10.068 11.011 -2.030 1.00 1.67 C ATOM 1679 NZ LYS A 140 -9.285 10.913 -3.277 1.00 2.13 N ATOM 0 H LYS A 140 -11.699 9.302 1.950 1.00 0.88 H new ATOM 0 HA LYS A 140 -14.232 9.287 0.802 1.00 1.04 H new ATOM 0 HB2 LYS A 140 -11.699 7.817 -0.123 1.00 1.35 H new ATOM 0 HB3 LYS A 140 -13.030 8.291 -1.159 1.00 1.35 H new ATOM 0 HG2 LYS A 140 -12.490 10.686 -0.799 1.00 1.49 H new ATOM 0 HG3 LYS A 140 -11.201 10.249 0.305 1.00 1.49 H new ATOM 0 HD2 LYS A 140 -10.100 8.915 -1.539 1.00 1.96 H new ATOM 0 HD3 LYS A 140 -11.371 9.408 -2.639 1.00 1.96 H new ATOM 0 HE2 LYS A 140 -10.780 11.833 -2.106 1.00 1.67 H new ATOM 0 HE3 LYS A 140 -9.405 11.240 -1.196 1.00 1.67 H new ATOM 0 HZ1 LYS A 140 -8.800 11.816 -3.454 1.00 2.13 H new ATOM 0 HZ2 LYS A 140 -8.580 10.154 -3.186 1.00 2.13 H new ATOM 0 HZ3 LYS A 140 -9.922 10.700 -4.071 1.00 2.13 H new ATOM 1693 N LEU A 141 -13.383 6.358 1.962 1.00 0.89 N ATOM 1694 CA LEU A 141 -13.819 4.996 2.230 1.00 0.91 C ATOM 1695 C LEU A 141 -14.820 4.923 3.405 1.00 0.84 C ATOM 1696 O LEU A 141 -15.293 3.842 3.768 1.00 0.97 O ATOM 1697 CB LEU A 141 -12.567 4.146 2.493 1.00 0.88 C ATOM 1698 CG LEU A 141 -11.706 3.741 1.282 1.00 0.78 C ATOM 1699 CD1 LEU A 141 -12.492 2.985 0.214 1.00 1.15 C ATOM 1700 CD2 LEU A 141 -11.020 4.938 0.635 1.00 1.35 C ATOM 0 H LEU A 141 -12.575 6.633 2.521 1.00 0.89 H new ATOM 0 HA LEU A 141 -14.359 4.608 1.366 1.00 0.91 H new ATOM 0 HB2 LEU A 141 -11.931 4.694 3.188 1.00 0.88 H new ATOM 0 HB3 LEU A 141 -12.882 3.234 3.000 1.00 0.88 H new ATOM 0 HG LEU A 141 -10.950 3.071 1.691 1.00 0.78 H new ATOM 0 HD11 LEU A 141 -11.829 2.728 -0.612 1.00 1.15 H new ATOM 0 HD12 LEU A 141 -12.906 2.073 0.644 1.00 1.15 H new ATOM 0 HD13 LEU A 141 -13.303 3.613 -0.154 1.00 1.15 H new ATOM 0 HD21 LEU A 141 -10.425 4.601 -0.214 1.00 1.35 H new ATOM 0 HD22 LEU A 141 -11.773 5.647 0.292 1.00 1.35 H new ATOM 0 HD23 LEU A 141 -10.371 5.423 1.364 1.00 1.35 H new ATOM 1712 N GLY A 142 -15.094 6.063 4.048 1.00 0.72 N ATOM 1713 CA GLY A 142 -15.802 6.143 5.324 1.00 0.65 C ATOM 1714 C GLY A 142 -14.956 5.725 6.530 1.00 0.56 C ATOM 1715 O GLY A 142 -15.485 5.688 7.640 1.00 0.69 O ATOM 0 H GLY A 142 -14.822 6.976 3.684 1.00 0.72 H new ATOM 0 HA2 GLY A 142 -16.149 7.166 5.473 1.00 0.65 H new ATOM 0 HA3 GLY A 142 -16.688 5.510 5.277 1.00 0.65 H new ATOM 1719 N ILE A 143 -13.657 5.438 6.355 1.00 0.46 N ATOM 1720 CA ILE A 143 -12.795 5.000 7.455 1.00 0.42 C ATOM 1721 C ILE A 143 -12.459 6.168 8.388 1.00 0.42 C ATOM 1722 O ILE A 143 -12.040 7.252 7.964 1.00 0.44 O ATOM 1723 CB ILE A 143 -11.514 4.258 6.993 1.00 0.46 C ATOM 1724 CG1 ILE A 143 -11.816 3.016 6.117 1.00 0.57 C ATOM 1725 CG2 ILE A 143 -10.737 3.855 8.266 1.00 0.55 C ATOM 1726 CD1 ILE A 143 -10.589 2.401 5.406 1.00 0.63 C ATOM 0 H ILE A 143 -13.182 5.503 5.455 1.00 0.46 H new ATOM 0 HA ILE A 143 -13.373 4.262 8.012 1.00 0.42 H new ATOM 0 HB ILE A 143 -10.925 4.922 6.360 1.00 0.46 H new ATOM 0 HG12 ILE A 143 -12.274 2.251 6.744 1.00 0.57 H new ATOM 0 HG13 ILE A 143 -12.552 3.293 5.363 1.00 0.57 H new ATOM 0 HG21 ILE A 143 -9.825 3.328 7.984 1.00 0.55 H new ATOM 0 HG22 ILE A 143 -10.479 4.749 8.833 1.00 0.55 H new ATOM 0 HG23 ILE A 143 -11.358 3.203 8.880 1.00 0.55 H new ATOM 0 HD11 ILE A 143 -10.903 1.538 4.819 1.00 0.63 H new ATOM 0 HD12 ILE A 143 -10.140 3.144 4.747 1.00 0.63 H new ATOM 0 HD13 ILE A 143 -9.857 2.086 6.150 1.00 0.63 H new ATOM 1738 N HIS A 144 -12.582 5.901 9.683 1.00 0.48 N ATOM 1739 CA HIS A 144 -12.037 6.713 10.762 1.00 0.46 C ATOM 1740 C HIS A 144 -10.537 6.466 10.942 1.00 0.43 C ATOM 1741 O HIS A 144 -10.139 5.416 11.451 1.00 0.49 O ATOM 1742 CB HIS A 144 -12.799 6.320 12.026 1.00 0.59 C ATOM 1743 CG HIS A 144 -12.491 7.142 13.261 1.00 0.82 C ATOM 1744 ND1 HIS A 144 -13.079 8.330 13.638 1.00 1.16 N ATOM 1745 CD2 HIS A 144 -11.624 6.803 14.267 1.00 1.03 C ATOM 1746 CE1 HIS A 144 -12.574 8.697 14.826 1.00 1.41 C ATOM 1747 NE2 HIS A 144 -11.679 7.791 15.262 1.00 1.35 N ATOM 0 H HIS A 144 -13.084 5.080 10.022 1.00 0.48 H new ATOM 0 HA HIS A 144 -12.153 7.774 10.540 1.00 0.46 H new ATOM 0 HB2 HIS A 144 -13.867 6.392 11.821 1.00 0.59 H new ATOM 0 HB3 HIS A 144 -12.586 5.274 12.246 1.00 0.59 H new ATOM 0 HD2 HIS A 144 -11.001 5.921 14.290 1.00 1.03 H new ATOM 0 HE1 HIS A 144 -12.848 9.596 15.359 1.00 1.41 H new ATOM 0 HE2 HIS A 144 -11.151 7.817 16.134 1.00 1.35 H new ATOM 1755 N SER A 145 -9.694 7.438 10.594 1.00 0.44 N ATOM 1756 CA SER A 145 -8.358 7.513 11.169 1.00 0.49 C ATOM 1757 C SER A 145 -8.476 7.679 12.681 1.00 0.63 C ATOM 1758 O SER A 145 -8.978 8.675 13.168 1.00 0.80 O ATOM 1759 CB SER A 145 -7.618 8.695 10.545 1.00 0.54 C ATOM 1760 OG SER A 145 -6.559 9.139 11.373 1.00 0.59 O ATOM 0 H SER A 145 -9.912 8.175 9.924 1.00 0.44 H new ATOM 0 HA SER A 145 -7.798 6.601 10.963 1.00 0.49 H new ATOM 0 HB2 SER A 145 -7.223 8.405 9.571 1.00 0.54 H new ATOM 0 HB3 SER A 145 -8.317 9.514 10.375 1.00 0.54 H new ATOM 0 HG SER A 145 -5.768 8.582 11.219 1.00 0.59 H new ATOM 1766 N ALA A 146 -7.967 6.737 13.455 1.00 0.66 N ATOM 1767 CA ALA A 146 -7.946 6.797 14.915 1.00 0.81 C ATOM 1768 C ALA A 146 -7.213 8.040 15.476 1.00 0.87 C ATOM 1769 O ALA A 146 -7.424 8.419 16.633 1.00 1.13 O ATOM 1770 CB ALA A 146 -7.329 5.492 15.409 1.00 0.87 C ATOM 0 H ALA A 146 -7.545 5.887 13.082 1.00 0.66 H new ATOM 0 HA ALA A 146 -8.966 6.907 15.284 1.00 0.81 H new ATOM 0 HB1 ALA A 146 -7.294 5.495 16.498 1.00 0.87 H new ATOM 0 HB2 ALA A 146 -7.934 4.652 15.068 1.00 0.87 H new ATOM 0 HB3 ALA A 146 -6.318 5.395 15.014 1.00 0.87 H new ATOM 1776 N LEU A 147 -6.405 8.719 14.650 1.00 0.72 N ATOM 1777 CA LEU A 147 -5.717 9.958 14.941 1.00 0.81 C ATOM 1778 C LEU A 147 -6.624 11.205 14.851 1.00 0.98 C ATOM 1779 O LEU A 147 -6.187 12.314 15.164 1.00 1.23 O ATOM 1780 CB LEU A 147 -4.513 10.033 13.994 1.00 0.63 C ATOM 1781 CG LEU A 147 -3.610 8.789 13.891 1.00 0.53 C ATOM 1782 CD1 LEU A 147 -2.298 9.142 13.193 1.00 0.47 C ATOM 1783 CD2 LEU A 147 -3.267 8.193 15.252 1.00 0.64 C ATOM 0 H LEU A 147 -6.211 8.386 13.705 1.00 0.72 H new ATOM 0 HA LEU A 147 -5.388 9.958 15.980 1.00 0.81 H new ATOM 0 HB2 LEU A 147 -4.885 10.262 12.995 1.00 0.63 H new ATOM 0 HB3 LEU A 147 -3.893 10.874 14.304 1.00 0.63 H new ATOM 0 HG LEU A 147 -4.176 8.053 13.320 1.00 0.53 H new ATOM 0 HD11 LEU A 147 -1.670 8.253 13.127 1.00 0.47 H new ATOM 0 HD12 LEU A 147 -2.508 9.513 12.190 1.00 0.47 H new ATOM 0 HD13 LEU A 147 -1.778 9.912 13.763 1.00 0.47 H new ATOM 0 HD21 LEU A 147 -2.629 7.320 15.116 1.00 0.64 H new ATOM 0 HD22 LEU A 147 -2.742 8.936 15.853 1.00 0.64 H new ATOM 0 HD23 LEU A 147 -4.184 7.897 15.761 1.00 0.64 H new ATOM 1795 N LEU A 148 -7.894 11.038 14.456 1.00 0.92 N ATOM 1796 CA LEU A 148 -8.884 12.096 14.291 1.00 1.16 C ATOM 1797 C LEU A 148 -8.992 13.041 15.494 1.00 1.72 C ATOM 1798 O LEU A 148 -9.104 14.255 15.311 1.00 2.23 O ATOM 1799 CB LEU A 148 -10.260 11.449 13.997 1.00 0.92 C ATOM 1800 CG LEU A 148 -10.761 11.809 12.584 1.00 1.12 C ATOM 1801 CD1 LEU A 148 -10.541 10.685 11.607 1.00 2.00 C ATOM 1802 CD2 LEU A 148 -12.235 12.207 12.575 1.00 2.47 C ATOM 0 H LEU A 148 -8.270 10.116 14.234 1.00 0.92 H new ATOM 0 HA LEU A 148 -8.554 12.717 13.458 1.00 1.16 H new ATOM 0 HB2 LEU A 148 -10.182 10.366 14.092 1.00 0.92 H new ATOM 0 HB3 LEU A 148 -10.986 11.783 14.738 1.00 0.92 H new ATOM 0 HG LEU A 148 -10.170 12.670 12.271 1.00 1.12 H new ATOM 0 HD11 LEU A 148 -10.908 10.980 10.624 1.00 2.00 H new ATOM 0 HD12 LEU A 148 -9.476 10.461 11.544 1.00 2.00 H new ATOM 0 HD13 LEU A 148 -11.079 9.799 11.944 1.00 2.00 H new ATOM 0 HD21 LEU A 148 -12.540 12.451 11.557 1.00 2.47 H new ATOM 0 HD22 LEU A 148 -12.838 11.378 12.945 1.00 2.47 H new ATOM 0 HD23 LEU A 148 -12.381 13.076 13.216 1.00 2.47 H new ATOM 1814 N ASP A 149 -8.907 12.484 16.700 1.00 1.88 N ATOM 1815 CA ASP A 149 -9.038 13.169 17.991 1.00 2.55 C ATOM 1816 C ASP A 149 -7.796 12.983 18.891 1.00 2.36 C ATOM 1817 O ASP A 149 -7.862 12.981 20.122 1.00 2.74 O ATOM 1818 CB ASP A 149 -10.335 12.687 18.656 1.00 3.18 C ATOM 1819 CG ASP A 149 -11.380 13.791 18.816 1.00 4.40 C ATOM 1820 OD1 ASP A 149 -11.135 14.794 19.529 1.00 4.91 O ATOM 1821 OD2 ASP A 149 -12.496 13.618 18.270 1.00 5.45 O ATOM 0 H ASP A 149 -8.735 11.485 16.813 1.00 1.88 H new ATOM 0 HA ASP A 149 -9.096 14.245 17.829 1.00 2.55 H new ATOM 0 HB2 ASP A 149 -10.760 11.877 18.063 1.00 3.18 H new ATOM 0 HB3 ASP A 149 -10.100 12.274 19.637 1.00 3.18 H new ATOM 1826 N GLU A 150 -6.636 12.775 18.277 1.00 1.96 N ATOM 1827 CA GLU A 150 -5.341 12.532 18.924 1.00 2.11 C ATOM 1828 C GLU A 150 -4.531 13.811 19.182 1.00 2.69 C ATOM 1829 O GLU A 150 -4.383 14.663 18.275 1.00 3.89 O ATOM 1830 CB GLU A 150 -4.625 11.509 18.039 1.00 2.27 C ATOM 1831 CG GLU A 150 -3.285 10.997 18.548 1.00 2.64 C ATOM 1832 CD GLU A 150 -3.390 10.088 19.785 1.00 3.16 C ATOM 1833 OE1 GLU A 150 -4.065 9.029 19.726 1.00 4.24 O ATOM 1834 OE2 GLU A 150 -2.780 10.426 20.833 1.00 3.88 O ATOM 0 H GLU A 150 -6.565 12.770 17.260 1.00 1.96 H new ATOM 0 HA GLU A 150 -5.475 12.141 19.933 1.00 2.11 H new ATOM 0 HB2 GLU A 150 -5.287 10.654 17.900 1.00 2.27 H new ATOM 0 HB3 GLU A 150 -4.470 11.956 17.057 1.00 2.27 H new ATOM 0 HG2 GLU A 150 -2.790 10.447 17.747 1.00 2.64 H new ATOM 0 HG3 GLU A 150 -2.650 11.849 18.789 1.00 2.64 H new