USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 359 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 117 CYS SG : rot 90:sc= 0.61 USER MOD Set 1.2: A 119 CYS SG : rot -78:sc= -0.569 USER MOD Set 1.3: A 125 ASN : amide:sc= -3.71! C(o=-5!,f=-7.6!) USER MOD Set 1.4: A 141 HIS :FLIP no HD1:sc= -0.857 F(o=-6.2,f=-5) USER MOD Set 1.5: A 144 CYS SG : rot -160:sc= -0.446 USER MOD Set 2.1: A 130 GLN : amide:sc= -2.78 X(o=-3.9,f=-3.7) USER MOD Set 2.2: A 137 GLN : amide:sc= -1.14 K(o=-3.9,f=-6.8!) USER MOD Set 3.1: A 131 CYS SG : rot -6:sc= -0.145 USER MOD Set 3.2: A 136 CYS SG : rot 130:sc= 0.229 USER MOD Set 3.3: A 163 CYS SG : rot -129:sc= 0.417 USER MOD Set 3.4: A 166 CYS SG : rot 149:sc= 0.826 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -56:sc= 0.967 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 154:sc= -0.204 (180deg=-1.66!) USER MOD Single : A 134 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.036) USER MOD Single : A 140 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.4!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 TYR OH : rot 35:sc= 0.385 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.994 11.113 -3.915 1.00 0.00 N ATOM 94 CA GLU A 112 -2.349 10.110 -4.913 1.00 0.00 C ATOM 95 C GLU A 112 -1.249 9.061 -5.045 1.00 0.00 C ATOM 96 O GLU A 112 -1.431 8.034 -5.698 1.00 0.00 O ATOM 97 CB GLU A 112 -2.601 10.774 -6.268 1.00 0.00 C ATOM 98 CG GLU A 112 -4.019 11.293 -6.437 1.00 0.00 C ATOM 99 CD GLU A 112 -4.062 12.756 -6.835 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.808 13.614 -5.964 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.349 13.042 -8.016 1.00 0.00 O ATOM 0 HA GLU A 112 -3.262 9.614 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.903 11.602 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.389 10.056 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.531 10.699 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.565 11.158 -5.503 1.00 0.00 H new ATOM 108 N ALA A 113 -0.107 9.328 -4.420 1.00 0.00 N ATOM 109 CA ALA A 113 1.022 8.407 -4.466 1.00 0.00 C ATOM 110 C ALA A 113 1.839 8.475 -3.180 1.00 0.00 C ATOM 111 O ALA A 113 2.877 9.135 -3.125 1.00 0.00 O ATOM 112 CB ALA A 113 1.902 8.710 -5.669 1.00 0.00 C ATOM 0 H ALA A 113 0.061 10.174 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 113 0.629 7.395 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.741 8.014 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.318 8.603 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.278 9.730 -5.597 1.00 0.00 H new ATOM 118 N LYS A 114 1.364 7.789 -2.146 1.00 0.00 N ATOM 119 CA LYS A 114 2.050 7.771 -0.859 1.00 0.00 C ATOM 120 C LYS A 114 2.496 6.357 -0.501 1.00 0.00 C ATOM 121 O LYS A 114 1.671 5.480 -0.248 1.00 0.00 O ATOM 122 CB LYS A 114 1.136 8.322 0.237 1.00 0.00 C ATOM 123 CG LYS A 114 1.680 8.122 1.641 1.00 0.00 C ATOM 124 CD LYS A 114 0.764 8.734 2.687 1.00 0.00 C ATOM 125 CE LYS A 114 0.634 10.238 2.503 1.00 0.00 C ATOM 126 NZ LYS A 114 -0.747 10.630 2.105 1.00 0.00 N ATOM 0 H LYS A 114 0.506 7.238 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 114 2.934 8.403 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.979 9.387 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.161 7.840 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.798 7.056 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.670 8.571 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.221 8.272 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.153 8.521 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.901 10.742 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.340 10.574 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.795 11.662 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.993 10.169 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.418 10.333 2.842 1.00 0.00 H new ATOM 140 N VAL A 115 3.808 6.143 -0.479 1.00 0.00 N ATOM 141 CA VAL A 115 4.364 4.837 -0.149 1.00 0.00 C ATOM 142 C VAL A 115 4.413 4.626 1.360 1.00 0.00 C ATOM 143 O VAL A 115 5.221 5.240 2.057 1.00 0.00 O ATOM 144 CB VAL A 115 5.783 4.668 -0.726 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.268 3.239 -0.540 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.810 5.062 -2.195 1.00 0.00 C ATOM 0 H VAL A 115 4.505 6.858 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 115 3.707 4.091 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 115 6.459 5.329 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.272 3.139 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.287 2.997 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.593 2.556 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.819 4.937 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.122 4.428 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.508 6.104 -2.298 1.00 0.00 H new ATOM 156 N ARG A 116 3.544 3.753 1.859 1.00 0.00 N ATOM 157 CA ARG A 116 3.487 3.461 3.286 1.00 0.00 C ATOM 158 C ARG A 116 3.480 1.955 3.533 1.00 0.00 C ATOM 159 O ARG A 116 2.422 1.326 3.569 1.00 0.00 O ATOM 160 CB ARG A 116 2.243 4.097 3.909 1.00 0.00 C ATOM 161 CG ARG A 116 2.536 5.362 4.698 1.00 0.00 C ATOM 162 CD ARG A 116 2.518 5.101 6.196 1.00 0.00 C ATOM 163 NE ARG A 116 2.229 6.313 6.959 1.00 0.00 N ATOM 164 CZ ARG A 116 3.090 7.314 7.102 1.00 0.00 C ATOM 165 NH1 ARG A 116 4.287 7.249 6.536 1.00 0.00 N ATOM 166 NH2 ARG A 116 2.754 8.384 7.812 1.00 0.00 N ATOM 0 H ARG A 116 2.869 3.235 1.296 1.00 0.00 H new ATOM 0 HA ARG A 116 4.376 3.884 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.529 4.329 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.765 3.371 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.510 5.756 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.798 6.125 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.769 4.342 6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.483 4.699 6.506 1.00 0.00 H new ATOM 0 HE ARG A 116 1.316 6.395 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.549 6.429 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.946 8.019 6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.834 8.438 8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.416 9.152 7.921 1.00 0.00 H new ATOM 180 N CYS A 117 4.667 1.383 3.702 1.00 0.00 N ATOM 181 CA CYS A 117 4.799 -0.049 3.945 1.00 0.00 C ATOM 182 C CYS A 117 5.242 -0.319 5.380 1.00 0.00 C ATOM 183 O CYS A 117 5.841 0.541 6.028 1.00 0.00 O ATOM 184 CB CYS A 117 5.801 -0.663 2.966 1.00 0.00 C ATOM 185 SG CYS A 117 5.760 -2.484 2.905 1.00 0.00 S ATOM 0 H CYS A 117 5.552 1.889 3.675 1.00 0.00 H new ATOM 0 HA CYS A 117 3.823 -0.510 3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.604 -0.272 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.806 -0.342 3.241 1.00 0.00 H new ATOM 0 HG CYS A 117 4.909 -2.869 2.001 1.00 0.00 H new ATOM 190 N ILE A 118 4.945 -1.518 5.870 1.00 0.00 N ATOM 191 CA ILE A 118 5.314 -1.901 7.227 1.00 0.00 C ATOM 192 C ILE A 118 6.823 -1.818 7.430 1.00 0.00 C ATOM 193 O ILE A 118 7.303 -1.704 8.558 1.00 0.00 O ATOM 194 CB ILE A 118 4.840 -3.329 7.557 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.273 -4.300 6.457 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.329 -3.358 7.732 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.147 -5.755 6.852 1.00 0.00 C ATOM 0 H ILE A 118 4.450 -2.241 5.347 1.00 0.00 H new ATOM 0 HA ILE A 118 4.820 -1.199 7.899 1.00 0.00 H new ATOM 0 HB ILE A 118 5.301 -3.642 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.670 -4.120 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.309 -4.093 6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 118 3.009 -4.374 7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.044 -2.692 8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.850 -3.029 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.471 -6.386 6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.771 -5.951 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.108 -5.978 7.093 1.00 0.00 H new ATOM 209 N CYS A 119 7.566 -1.876 6.330 1.00 0.00 N ATOM 210 CA CYS A 119 9.022 -1.807 6.386 1.00 0.00 C ATOM 211 C CYS A 119 9.495 -0.357 6.455 1.00 0.00 C ATOM 212 O CYS A 119 10.690 -0.089 6.578 1.00 0.00 O ATOM 213 CB CYS A 119 9.633 -2.497 5.166 1.00 0.00 C ATOM 214 SG CYS A 119 9.209 -1.712 3.577 1.00 0.00 S ATOM 0 H CYS A 119 7.184 -1.971 5.389 1.00 0.00 H new ATOM 0 HA CYS A 119 9.351 -2.322 7.289 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.718 -2.510 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.302 -3.535 5.146 1.00 0.00 H new ATOM 0 HG CYS A 119 8.002 -2.050 3.234 1.00 0.00 H new ATOM 219 N SER A 120 8.548 0.573 6.374 1.00 0.00 N ATOM 220 CA SER A 120 8.868 1.995 6.423 1.00 0.00 C ATOM 221 C SER A 120 9.934 2.348 5.391 1.00 0.00 C ATOM 222 O SER A 120 10.826 3.154 5.654 1.00 0.00 O ATOM 223 CB SER A 120 9.349 2.383 7.823 1.00 0.00 C ATOM 224 OG SER A 120 10.720 2.069 7.997 1.00 0.00 O ATOM 0 H SER A 120 7.554 0.367 6.274 1.00 0.00 H new ATOM 0 HA SER A 120 7.962 2.554 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.194 3.450 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.755 1.860 8.573 1.00 0.00 H new ATOM 0 HG SER A 120 10.862 1.116 7.820 1.00 0.00 H new ATOM 230 N SER A 121 9.835 1.738 4.214 1.00 0.00 N ATOM 231 CA SER A 121 10.792 1.984 3.142 1.00 0.00 C ATOM 232 C SER A 121 10.077 2.392 1.858 1.00 0.00 C ATOM 233 O SER A 121 9.323 1.610 1.277 1.00 0.00 O ATOM 234 CB SER A 121 11.641 0.736 2.892 1.00 0.00 C ATOM 235 OG SER A 121 12.789 1.047 2.122 1.00 0.00 O ATOM 0 H SER A 121 9.101 1.070 3.979 1.00 0.00 H new ATOM 0 HA SER A 121 11.443 2.802 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.945 0.302 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.045 -0.016 2.375 1.00 0.00 H new ATOM 0 HG SER A 121 13.316 0.234 1.977 1.00 0.00 H new ATOM 241 N THR A 122 10.318 3.624 1.420 1.00 0.00 N ATOM 242 CA THR A 122 9.697 4.138 0.206 1.00 0.00 C ATOM 243 C THR A 122 10.604 3.939 -1.003 1.00 0.00 C ATOM 244 O THR A 122 10.582 4.731 -1.944 1.00 0.00 O ATOM 245 CB THR A 122 9.359 5.635 0.338 1.00 0.00 C ATOM 246 OG1 THR A 122 10.562 6.411 0.336 1.00 0.00 O ATOM 247 CG2 THR A 122 8.580 5.903 1.617 1.00 0.00 C ATOM 0 H THR A 122 10.939 4.284 1.888 1.00 0.00 H new ATOM 0 HA THR A 122 8.774 3.576 0.061 1.00 0.00 H new ATOM 0 HB THR A 122 8.741 5.921 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.338 7.362 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.353 6.967 1.688 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.651 5.333 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 122 9.178 5.601 2.477 1.00 0.00 H new ATOM 255 N MET A 123 11.400 2.875 -0.970 1.00 0.00 N ATOM 256 CA MET A 123 12.313 2.571 -2.066 1.00 0.00 C ATOM 257 C MET A 123 11.613 1.756 -3.148 1.00 0.00 C ATOM 258 O MET A 123 10.424 1.454 -3.040 1.00 0.00 O ATOM 259 CB MET A 123 13.532 1.806 -1.544 1.00 0.00 C ATOM 260 CG MET A 123 14.822 2.609 -1.599 1.00 0.00 C ATOM 261 SD MET A 123 15.745 2.336 -3.124 1.00 0.00 S ATOM 262 CE MET A 123 16.857 1.027 -2.616 1.00 0.00 C ATOM 0 H MET A 123 11.431 2.210 -0.197 1.00 0.00 H new ATOM 0 HA MET A 123 12.643 3.514 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.346 1.502 -0.514 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.656 0.894 -2.128 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.590 3.670 -1.504 1.00 0.00 H new ATOM 0 HG3 MET A 123 15.448 2.343 -0.747 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.496 0.747 -3.454 1.00 0.00 H new ATOM 0 HE2 MET A 123 17.475 1.375 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 123 16.277 0.161 -2.296 1.00 0.00 H new ATOM 272 N VAL A 124 12.356 1.403 -4.192 1.00 0.00 N ATOM 273 CA VAL A 124 11.806 0.623 -5.294 1.00 0.00 C ATOM 274 C VAL A 124 12.073 -0.866 -5.100 1.00 0.00 C ATOM 275 O VAL A 124 13.082 -1.392 -5.566 1.00 0.00 O ATOM 276 CB VAL A 124 12.396 1.067 -6.645 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.682 0.371 -7.794 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.313 2.578 -6.792 1.00 0.00 C ATOM 0 H VAL A 124 13.341 1.645 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 124 10.730 0.799 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 124 13.447 0.780 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.112 0.697 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.799 -0.708 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.622 0.625 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.735 2.874 -7.753 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.270 2.892 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.874 3.053 -5.988 1.00 0.00 H new ATOM 288 N ASN A 125 11.159 -1.539 -4.408 1.00 0.00 N ATOM 289 CA ASN A 125 11.296 -2.969 -4.151 1.00 0.00 C ATOM 290 C ASN A 125 11.115 -3.771 -5.436 1.00 0.00 C ATOM 291 O ASN A 125 11.098 -3.212 -6.533 1.00 0.00 O ATOM 292 CB ASN A 125 10.273 -3.420 -3.107 1.00 0.00 C ATOM 293 CG ASN A 125 8.898 -3.650 -3.705 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.294 -2.738 -4.269 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.398 -4.874 -3.584 1.00 0.00 N ATOM 0 H ASN A 125 10.317 -1.118 -4.016 1.00 0.00 H new ATOM 0 HA ASN A 125 12.300 -3.151 -3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.620 -4.340 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.203 -2.667 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.477 -5.089 -3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.935 -5.599 -3.108 1.00 0.00 H new ATOM 302 N ASP A 126 10.981 -5.085 -5.293 1.00 0.00 N ATOM 303 CA ASP A 126 10.800 -5.965 -6.441 1.00 0.00 C ATOM 304 C ASP A 126 9.554 -5.578 -7.231 1.00 0.00 C ATOM 305 O ASP A 126 9.550 -5.618 -8.462 1.00 0.00 O ATOM 306 CB ASP A 126 10.698 -7.421 -5.984 1.00 0.00 C ATOM 307 CG ASP A 126 12.056 -8.055 -5.760 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.803 -8.223 -6.747 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.374 -8.383 -4.597 1.00 0.00 O ATOM 0 H ASP A 126 10.994 -5.564 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 126 11.668 -5.857 -7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.121 -7.469 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.151 -7.996 -6.731 1.00 0.00 H new ATOM 314 N SER A 127 8.498 -5.206 -6.516 1.00 0.00 N ATOM 315 CA SER A 127 7.244 -4.816 -7.150 1.00 0.00 C ATOM 316 C SER A 127 6.348 -4.067 -6.168 1.00 0.00 C ATOM 317 O SER A 127 6.069 -4.551 -5.072 1.00 0.00 O ATOM 318 CB SER A 127 6.514 -6.050 -7.685 1.00 0.00 C ATOM 319 OG SER A 127 5.894 -5.776 -8.930 1.00 0.00 O ATOM 0 H SER A 127 8.485 -5.166 -5.497 1.00 0.00 H new ATOM 0 HA SER A 127 7.477 -4.151 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.220 -6.873 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.763 -6.373 -6.964 1.00 0.00 H new ATOM 0 HG SER A 127 5.436 -6.581 -9.251 1.00 0.00 H new ATOM 325 N MET A 128 5.901 -2.882 -6.571 1.00 0.00 N ATOM 326 CA MET A 128 5.036 -2.065 -5.728 1.00 0.00 C ATOM 327 C MET A 128 3.588 -2.140 -6.201 1.00 0.00 C ATOM 328 O MET A 128 3.320 -2.438 -7.365 1.00 0.00 O ATOM 329 CB MET A 128 5.511 -0.611 -5.730 1.00 0.00 C ATOM 330 CG MET A 128 6.997 -0.456 -5.448 1.00 0.00 C ATOM 331 SD MET A 128 7.603 1.203 -5.810 1.00 0.00 S ATOM 332 CE MET A 128 7.671 1.905 -4.163 1.00 0.00 C ATOM 0 H MET A 128 6.123 -2.466 -7.476 1.00 0.00 H new ATOM 0 HA MET A 128 5.088 -2.455 -4.711 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.285 -0.165 -6.699 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.948 -0.052 -4.983 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.190 -0.689 -4.401 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.553 -1.180 -6.043 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.418 2.698 -4.136 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.696 2.316 -3.902 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.940 1.128 -3.447 1.00 0.00 H new ATOM 342 N ILE A 129 2.658 -1.870 -5.291 1.00 0.00 N ATOM 343 CA ILE A 129 1.238 -1.906 -5.617 1.00 0.00 C ATOM 344 C ILE A 129 0.482 -0.788 -4.906 1.00 0.00 C ATOM 345 O ILE A 129 0.716 -0.520 -3.728 1.00 0.00 O ATOM 346 CB ILE A 129 0.608 -3.259 -5.236 1.00 0.00 C ATOM 347 CG1 ILE A 129 -0.901 -3.232 -5.489 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.901 -3.589 -3.780 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.571 -4.574 -5.293 1.00 0.00 C ATOM 0 H ILE A 129 2.863 -1.624 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 129 1.158 -1.767 -6.695 1.00 0.00 H new ATOM 0 HB ILE A 129 1.048 -4.037 -5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.360 -2.505 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.084 -2.889 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.449 -4.548 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.979 -3.645 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.485 -2.811 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.639 -4.480 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.139 -5.301 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.419 -4.910 -4.267 1.00 0.00 H new ATOM 361 N GLN A 130 -0.425 -0.141 -5.631 1.00 0.00 N ATOM 362 CA GLN A 130 -1.216 0.947 -5.069 1.00 0.00 C ATOM 363 C GLN A 130 -2.503 0.419 -4.444 1.00 0.00 C ATOM 364 O GLN A 130 -3.063 -0.578 -4.901 1.00 0.00 O ATOM 365 CB GLN A 130 -1.546 1.978 -6.150 1.00 0.00 C ATOM 366 CG GLN A 130 -2.441 3.105 -5.664 1.00 0.00 C ATOM 367 CD GLN A 130 -2.271 4.376 -6.472 1.00 0.00 C ATOM 368 OE1 GLN A 130 -1.927 4.333 -7.654 1.00 0.00 O ATOM 369 NE2 GLN A 130 -2.511 5.518 -5.838 1.00 0.00 N ATOM 0 H GLN A 130 -0.630 -0.351 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.625 1.426 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.617 2.402 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.032 1.473 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.482 2.784 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.221 3.313 -4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.794 5.508 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.412 6.405 -6.331 1.00 0.00 H new ATOM 378 N CYS A 131 -2.967 1.093 -3.397 1.00 0.00 N ATOM 379 CA CYS A 131 -4.187 0.691 -2.708 1.00 0.00 C ATOM 380 C CYS A 131 -5.399 0.823 -3.627 1.00 0.00 C ATOM 381 O CYS A 131 -5.410 1.649 -4.539 1.00 0.00 O ATOM 382 CB CYS A 131 -4.391 1.539 -1.452 1.00 0.00 C ATOM 383 SG CYS A 131 -5.796 1.013 -0.419 1.00 0.00 S ATOM 0 H CYS A 131 -2.516 1.921 -3.007 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.084 -0.355 -2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.481 1.506 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.540 2.577 -1.748 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.447 0.063 -1.023 1.00 0.00 H new ATOM 388 N GLU A 132 -6.416 0.004 -3.377 1.00 0.00 N ATOM 389 CA GLU A 132 -7.631 0.030 -4.182 1.00 0.00 C ATOM 390 C GLU A 132 -8.645 1.014 -3.606 1.00 0.00 C ATOM 391 O GLU A 132 -9.837 0.941 -3.905 1.00 0.00 O ATOM 392 CB GLU A 132 -8.248 -1.368 -4.259 1.00 0.00 C ATOM 393 CG GLU A 132 -7.873 -2.131 -5.519 1.00 0.00 C ATOM 394 CD GLU A 132 -9.083 -2.525 -6.344 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.075 -1.766 -6.343 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.037 -3.592 -6.991 1.00 0.00 O ATOM 0 H GLU A 132 -6.422 -0.685 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.363 0.357 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.933 -1.943 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.333 -1.280 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.208 -1.517 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.317 -3.028 -5.245 1.00 0.00 H new ATOM 403 N ASP A 133 -8.162 1.934 -2.778 1.00 0.00 N ATOM 404 CA ASP A 133 -9.025 2.934 -2.159 1.00 0.00 C ATOM 405 C ASP A 133 -8.666 4.335 -2.643 1.00 0.00 C ATOM 406 O ASP A 133 -7.565 4.825 -2.393 1.00 0.00 O ATOM 407 CB ASP A 133 -8.913 2.862 -0.635 1.00 0.00 C ATOM 408 CG ASP A 133 -9.926 3.749 0.062 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.136 3.584 -0.198 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.509 4.608 0.867 1.00 0.00 O ATOM 0 H ASP A 133 -7.178 2.008 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.054 2.721 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.054 1.831 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -7.908 3.156 -0.333 1.00 0.00 H new ATOM 415 N GLN A 134 -9.603 4.974 -3.336 1.00 0.00 N ATOM 416 CA GLN A 134 -9.384 6.319 -3.856 1.00 0.00 C ATOM 417 C GLN A 134 -9.149 7.310 -2.721 1.00 0.00 C ATOM 418 O GLN A 134 -8.510 8.345 -2.911 1.00 0.00 O ATOM 419 CB GLN A 134 -10.581 6.764 -4.698 1.00 0.00 C ATOM 420 CG GLN A 134 -11.907 6.686 -3.959 1.00 0.00 C ATOM 421 CD GLN A 134 -12.949 5.883 -4.712 1.00 0.00 C ATOM 422 OE1 GLN A 134 -14.082 6.330 -4.895 1.00 0.00 O ATOM 423 NE2 GLN A 134 -12.571 4.690 -5.156 1.00 0.00 N ATOM 0 H GLN A 134 -10.520 4.583 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.494 6.298 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.420 7.789 -5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -10.636 6.144 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.746 6.237 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -12.284 7.695 -3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -11.622 4.358 -4.982 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -13.229 4.105 -5.671 1.00 0.00 H new ATOM 432 N ARG A 135 -9.669 6.986 -1.542 1.00 0.00 N ATOM 433 CA ARG A 135 -9.516 7.849 -0.377 1.00 0.00 C ATOM 434 C ARG A 135 -8.224 7.530 0.370 1.00 0.00 C ATOM 435 O ARG A 135 -7.976 8.057 1.455 1.00 0.00 O ATOM 436 CB ARG A 135 -10.713 7.690 0.562 1.00 0.00 C ATOM 437 CG ARG A 135 -11.943 8.465 0.118 1.00 0.00 C ATOM 438 CD ARG A 135 -13.047 8.403 1.162 1.00 0.00 C ATOM 439 NE ARG A 135 -13.341 9.717 1.727 1.00 0.00 N ATOM 440 CZ ARG A 135 -13.990 9.897 2.872 1.00 0.00 C ATOM 441 NH1 ARG A 135 -14.410 8.851 3.570 1.00 0.00 N ATOM 442 NH2 ARG A 135 -14.219 11.124 3.321 1.00 0.00 N ATOM 0 H ARG A 135 -10.200 6.133 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.469 8.881 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -10.968 6.633 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.427 8.020 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.673 9.505 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.309 8.059 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.950 7.992 0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.752 7.723 1.961 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.031 10.542 1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.235 7.906 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.908 8.991 4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -13.897 11.931 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -14.717 11.261 4.200 1.00 0.00 H new ATOM 456 N CYS A 136 -7.405 6.665 -0.217 1.00 0.00 N ATOM 457 CA CYS A 136 -6.139 6.274 0.392 1.00 0.00 C ATOM 458 C CYS A 136 -4.975 6.535 -0.559 1.00 0.00 C ATOM 459 O CYS A 136 -4.074 7.315 -0.253 1.00 0.00 O ATOM 460 CB CYS A 136 -6.172 4.795 0.783 1.00 0.00 C ATOM 461 SG CYS A 136 -5.216 4.402 2.282 1.00 0.00 S ATOM 0 H CYS A 136 -7.595 6.221 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 136 -5.994 6.876 1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.208 4.494 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.787 4.202 -0.047 1.00 0.00 H new ATOM 0 HG CYS A 136 -5.953 3.708 3.098 1.00 0.00 H new ATOM 466 N GLN A 137 -5.002 5.876 -1.713 1.00 0.00 N ATOM 467 CA GLN A 137 -3.948 6.036 -2.708 1.00 0.00 C ATOM 468 C GLN A 137 -2.576 5.772 -2.096 1.00 0.00 C ATOM 469 O GLN A 137 -1.614 6.489 -2.372 1.00 0.00 O ATOM 470 CB GLN A 137 -3.991 7.444 -3.305 1.00 0.00 C ATOM 471 CG GLN A 137 -5.312 7.778 -3.980 1.00 0.00 C ATOM 472 CD GLN A 137 -5.245 7.651 -5.489 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.172 8.650 -6.206 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.268 6.418 -5.981 1.00 0.00 N ATOM 0 H GLN A 137 -5.741 5.227 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.118 5.307 -3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.802 8.171 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.185 7.546 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.089 7.116 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.603 8.795 -3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.329 5.618 -5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.224 6.270 -6.989 1.00 0.00 H new ATOM 483 N VAL A 138 -2.494 4.739 -1.264 1.00 0.00 N ATOM 484 CA VAL A 138 -1.240 4.379 -0.614 1.00 0.00 C ATOM 485 C VAL A 138 -0.581 3.193 -1.307 1.00 0.00 C ATOM 486 O VAL A 138 -1.212 2.158 -1.523 1.00 0.00 O ATOM 487 CB VAL A 138 -1.456 4.036 0.872 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.991 5.244 1.627 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.399 2.850 1.012 1.00 0.00 C ATOM 0 H VAL A 138 -3.281 4.137 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.586 5.248 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.495 3.762 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.137 4.983 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.277 6.064 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.943 5.552 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.541 2.621 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.361 3.095 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.972 1.984 0.507 1.00 0.00 H new ATOM 499 N TRP A 139 0.691 3.349 -1.654 1.00 0.00 N ATOM 500 CA TRP A 139 1.437 2.289 -2.324 1.00 0.00 C ATOM 501 C TRP A 139 2.188 1.430 -1.313 1.00 0.00 C ATOM 502 O TRP A 139 2.628 1.921 -0.274 1.00 0.00 O ATOM 503 CB TRP A 139 2.419 2.887 -3.333 1.00 0.00 C ATOM 504 CG TRP A 139 1.746 3.626 -4.450 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.852 4.651 -4.334 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.913 3.394 -5.853 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.452 5.071 -5.580 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.089 4.316 -6.529 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.679 2.499 -6.605 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.011 4.365 -7.918 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.600 2.549 -7.983 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.772 3.477 -8.629 1.00 0.00 C ATOM 0 H TRP A 139 1.228 4.199 -1.483 1.00 0.00 H new ATOM 0 HA TRP A 139 0.725 1.656 -2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.095 3.566 -2.813 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.030 2.088 -3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.509 5.071 -3.400 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.211 5.823 -5.768 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.321 1.781 -6.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.372 5.079 -8.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.187 1.861 -8.573 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.734 3.492 -9.708 1.00 0.00 H new ATOM 523 N GLN A 140 2.331 0.146 -1.625 1.00 0.00 N ATOM 524 CA GLN A 140 3.029 -0.781 -0.742 1.00 0.00 C ATOM 525 C GLN A 140 3.762 -1.851 -1.545 1.00 0.00 C ATOM 526 O GLN A 140 3.409 -2.132 -2.691 1.00 0.00 O ATOM 527 CB GLN A 140 2.043 -1.438 0.225 1.00 0.00 C ATOM 528 CG GLN A 140 1.533 -0.498 1.305 1.00 0.00 C ATOM 529 CD GLN A 140 0.966 -1.237 2.502 1.00 0.00 C ATOM 530 OE1 GLN A 140 1.060 -2.461 2.591 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.373 -0.495 3.429 1.00 0.00 N ATOM 0 H GLN A 140 1.973 -0.276 -2.482 1.00 0.00 H new ATOM 0 HA GLN A 140 3.764 -0.215 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.194 -1.823 -0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.526 -2.293 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.347 0.148 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.763 0.149 0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.318 0.517 3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.028 -0.937 4.256 1.00 0.00 H new ATOM 540 N HIS A 141 4.783 -2.445 -0.936 1.00 0.00 N ATOM 541 CA HIS A 141 5.565 -3.485 -1.595 1.00 0.00 C ATOM 542 C HIS A 141 4.771 -4.785 -1.690 1.00 0.00 C ATOM 543 O HIS A 141 4.345 -5.339 -0.676 1.00 0.00 O ATOM 544 CB HIS A 141 6.872 -3.727 -0.839 1.00 0.00 C ATOM 545 CG HIS A 141 7.720 -2.500 -0.703 1.00 0.00 C ATOM 546 ND1 HIS A 141 7.927 -1.468 -1.553 1.00 0.00 N flip ATOM 547 CD2 HIS A 141 8.481 -2.231 0.416 1.00 0.00 C flip ATOM 548 CE1 HIS A 141 8.799 -0.602 -0.939 1.00 0.00 C flip ATOM 549 NE2 HIS A 141 9.117 -1.086 0.248 1.00 0.00 N flip ATOM 0 H HIS A 141 5.088 -2.224 0.012 1.00 0.00 H new ATOM 0 HA HIS A 141 5.795 -3.146 -2.605 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.642 -4.112 0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.443 -4.498 -1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.546 -2.859 1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.165 0.324 -1.358 1.00 0.00 H new ATOM 0 HE2 HIS A 141 9.747 -0.649 0.921 1.00 0.00 H new ATOM 557 N LEU A 142 4.575 -5.265 -2.913 1.00 0.00 N ATOM 558 CA LEU A 142 3.831 -6.499 -3.140 1.00 0.00 C ATOM 559 C LEU A 142 4.437 -7.654 -2.350 1.00 0.00 C ATOM 560 O LEU A 142 3.724 -8.416 -1.700 1.00 0.00 O ATOM 561 CB LEU A 142 3.814 -6.840 -4.631 1.00 0.00 C ATOM 562 CG LEU A 142 2.564 -6.416 -5.403 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.701 -6.766 -6.876 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.324 -7.072 -4.811 1.00 0.00 C ATOM 0 H LEU A 142 4.921 -4.819 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 142 2.808 -6.346 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.681 -6.374 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.934 -7.918 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 142 2.457 -5.335 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.802 -6.457 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.566 -6.250 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.834 -7.843 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.444 -6.759 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.424 -8.156 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.215 -6.771 -3.769 1.00 0.00 H new ATOM 576 N ASN A 143 5.760 -7.775 -2.409 1.00 0.00 N ATOM 577 CA ASN A 143 6.463 -8.836 -1.697 1.00 0.00 C ATOM 578 C ASN A 143 6.219 -8.736 -0.194 1.00 0.00 C ATOM 579 O ASN A 143 6.397 -9.708 0.541 1.00 0.00 O ATOM 580 CB ASN A 143 7.963 -8.766 -1.987 1.00 0.00 C ATOM 581 CG ASN A 143 8.344 -9.518 -3.248 1.00 0.00 C ATOM 582 OD1 ASN A 143 9.049 -10.525 -3.195 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.876 -9.030 -4.391 1.00 0.00 N ATOM 0 H ASN A 143 6.366 -7.152 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 143 6.076 -9.793 -2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.263 -7.723 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.513 -9.178 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.098 -9.493 -5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.295 -8.192 -4.388 1.00 0.00 H new ATOM 590 N CYS A 144 5.811 -7.555 0.257 1.00 0.00 N ATOM 591 CA CYS A 144 5.542 -7.326 1.671 1.00 0.00 C ATOM 592 C CYS A 144 4.080 -7.612 2.000 1.00 0.00 C ATOM 593 O CYS A 144 3.755 -8.055 3.102 1.00 0.00 O ATOM 594 CB CYS A 144 5.890 -5.886 2.052 1.00 0.00 C ATOM 595 SG CYS A 144 7.675 -5.578 2.246 1.00 0.00 S ATOM 0 H CYS A 144 5.659 -6.740 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 144 6.166 -8.008 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.497 -5.215 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.386 -5.637 2.986 1.00 0.00 H new ATOM 0 HG CYS A 144 7.855 -4.504 2.956 1.00 0.00 H new ATOM 600 N VAL A 145 3.201 -7.356 1.036 1.00 0.00 N ATOM 601 CA VAL A 145 1.773 -7.587 1.222 1.00 0.00 C ATOM 602 C VAL A 145 1.338 -8.894 0.568 1.00 0.00 C ATOM 603 O VAL A 145 0.145 -9.148 0.397 1.00 0.00 O ATOM 604 CB VAL A 145 0.938 -6.431 0.641 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.297 -5.118 1.319 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.136 -6.335 -0.864 1.00 0.00 C ATOM 0 H VAL A 145 3.453 -6.989 0.118 1.00 0.00 H new ATOM 0 HA VAL A 145 1.599 -7.647 2.296 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.115 -6.635 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.696 -4.313 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 145 1.098 -5.194 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.354 -4.904 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.539 -5.513 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.189 -6.155 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 145 0.823 -7.268 -1.332 1.00 0.00 H new ATOM 616 N LEU A 146 2.313 -9.720 0.203 1.00 0.00 N ATOM 617 CA LEU A 146 2.031 -11.002 -0.433 1.00 0.00 C ATOM 618 C LEU A 146 1.989 -12.124 0.600 1.00 0.00 C ATOM 619 O LEU A 146 3.030 -12.619 1.035 1.00 0.00 O ATOM 620 CB LEU A 146 3.088 -11.310 -1.495 1.00 0.00 C ATOM 621 CG LEU A 146 2.633 -11.187 -2.950 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.709 -10.520 -3.791 1.00 0.00 C ATOM 623 CD2 LEU A 146 2.282 -12.555 -3.516 1.00 0.00 C ATOM 0 H LEU A 146 3.305 -9.525 0.337 1.00 0.00 H new ATOM 0 HA LEU A 146 1.054 -10.936 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.934 -10.640 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.452 -12.325 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 146 1.739 -10.563 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.367 -10.441 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 146 3.912 -9.523 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.621 -11.116 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.960 -12.449 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.158 -13.202 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.476 -12.996 -2.929 1.00 0.00 H new ATOM 759 N GLU A 156 0.576 -15.213 -2.726 1.00 0.00 N ATOM 760 CA GLU A 156 -0.450 -14.933 -3.723 1.00 0.00 C ATOM 761 C GLU A 156 -0.651 -13.429 -3.890 1.00 0.00 C ATOM 762 O GLU A 156 -0.868 -12.709 -2.915 1.00 0.00 O ATOM 763 CB GLU A 156 -1.772 -15.594 -3.327 1.00 0.00 C ATOM 764 CG GLU A 156 -2.399 -16.416 -4.440 1.00 0.00 C ATOM 765 CD GLU A 156 -3.275 -15.585 -5.357 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.219 -14.941 -4.854 1.00 0.00 O ATOM 767 OE2 GLU A 156 -3.014 -15.578 -6.579 1.00 0.00 O ATOM 0 HA GLU A 156 -0.117 -15.346 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.603 -16.237 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.476 -14.822 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -1.611 -16.888 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.995 -17.218 -4.003 1.00 0.00 H new ATOM 774 N VAL A 157 -0.577 -12.962 -5.132 1.00 0.00 N ATOM 775 CA VAL A 157 -0.751 -11.545 -5.427 1.00 0.00 C ATOM 776 C VAL A 157 -2.108 -11.279 -6.068 1.00 0.00 C ATOM 777 O VAL A 157 -2.280 -11.383 -7.283 1.00 0.00 O ATOM 778 CB VAL A 157 0.357 -11.027 -6.364 1.00 0.00 C ATOM 779 CG1 VAL A 157 0.467 -11.908 -7.599 1.00 0.00 C ATOM 780 CG2 VAL A 157 0.092 -9.580 -6.752 1.00 0.00 C ATOM 0 H VAL A 157 -0.398 -13.544 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.691 -11.014 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 157 1.308 -11.068 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 157 1.255 -11.527 -8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 157 0.707 -12.928 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.481 -11.902 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 157 0.884 -9.230 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -0.867 -9.511 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 157 0.069 -8.961 -5.855 1.00 0.00 H new ATOM 790 N PRO A 158 -3.098 -10.928 -5.233 1.00 0.00 N ATOM 791 CA PRO A 158 -4.458 -10.639 -5.696 1.00 0.00 C ATOM 792 C PRO A 158 -4.537 -9.341 -6.492 1.00 0.00 C ATOM 793 O PRO A 158 -3.650 -8.489 -6.425 1.00 0.00 O ATOM 794 CB PRO A 158 -5.257 -10.518 -4.396 1.00 0.00 C ATOM 795 CG PRO A 158 -4.252 -10.122 -3.370 1.00 0.00 C ATOM 796 CD PRO A 158 -2.964 -10.785 -3.774 1.00 0.00 C ATOM 0 HA PRO A 158 -4.830 -11.409 -6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.047 -9.772 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.737 -11.462 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.138 -9.039 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.562 -10.444 -2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.099 -10.178 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.839 -11.751 -3.285 1.00 0.00 H new ATOM 804 N PRO A 159 -5.622 -9.184 -7.264 1.00 0.00 N ATOM 805 CA PRO A 159 -5.842 -7.991 -8.087 1.00 0.00 C ATOM 806 C PRO A 159 -6.140 -6.754 -7.247 1.00 0.00 C ATOM 807 O PRO A 159 -5.598 -5.677 -7.496 1.00 0.00 O ATOM 808 CB PRO A 159 -7.059 -8.366 -8.937 1.00 0.00 C ATOM 809 CG PRO A 159 -7.780 -9.393 -8.134 1.00 0.00 C ATOM 810 CD PRO A 159 -6.719 -10.158 -7.393 1.00 0.00 C ATOM 0 HA PRO A 159 -4.960 -7.731 -8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -7.690 -7.498 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -6.758 -8.762 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.480 -8.926 -7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.361 -10.054 -8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.073 -10.495 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.406 -11.045 -7.943 1.00 0.00 H new ATOM 818 N VAL A 160 -7.005 -6.915 -6.251 1.00 0.00 N ATOM 819 CA VAL A 160 -7.373 -5.811 -5.373 1.00 0.00 C ATOM 820 C VAL A 160 -6.596 -5.868 -4.063 1.00 0.00 C ATOM 821 O VAL A 160 -6.624 -6.874 -3.354 1.00 0.00 O ATOM 822 CB VAL A 160 -8.882 -5.820 -5.062 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.311 -7.183 -4.540 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.227 -4.725 -4.064 1.00 0.00 C ATOM 0 H VAL A 160 -7.464 -7.799 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.123 -4.891 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.427 -5.623 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.380 -7.171 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.100 -7.943 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -8.761 -7.413 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.297 -4.746 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.674 -4.888 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -8.958 -3.755 -4.481 1.00 0.00 H new ATOM 834 N PHE A 161 -5.901 -4.780 -3.746 1.00 0.00 N ATOM 835 CA PHE A 161 -5.114 -4.705 -2.520 1.00 0.00 C ATOM 836 C PHE A 161 -5.546 -3.515 -1.668 1.00 0.00 C ATOM 837 O PHE A 161 -5.828 -2.435 -2.188 1.00 0.00 O ATOM 838 CB PHE A 161 -3.625 -4.596 -2.851 1.00 0.00 C ATOM 839 CG PHE A 161 -2.805 -4.004 -1.740 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.366 -4.794 -0.690 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.476 -2.658 -1.745 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.611 -4.253 0.334 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.721 -2.112 -0.724 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.290 -2.910 0.318 1.00 0.00 C ATOM 0 H PHE A 161 -5.867 -3.938 -4.321 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.287 -5.618 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.240 -5.588 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.504 -3.986 -3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.616 -5.844 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.813 -2.029 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.273 -4.880 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.468 -1.062 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.703 -2.484 1.119 1.00 0.00 H new ATOM 854 N TYR A 162 -5.597 -3.722 -0.357 1.00 0.00 N ATOM 855 CA TYR A 162 -5.997 -2.668 0.568 1.00 0.00 C ATOM 856 C TYR A 162 -5.050 -2.602 1.762 1.00 0.00 C ATOM 857 O TYR A 162 -4.831 -3.598 2.453 1.00 0.00 O ATOM 858 CB TYR A 162 -7.429 -2.902 1.052 1.00 0.00 C ATOM 859 CG TYR A 162 -8.483 -2.483 0.051 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.708 -1.141 -0.228 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.253 -3.429 -0.614 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.670 -0.752 -1.140 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.215 -3.050 -1.529 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.420 -1.711 -1.789 1.00 0.00 C ATOM 865 OH TYR A 162 -11.380 -1.329 -2.699 1.00 0.00 O ATOM 0 H TYR A 162 -5.366 -4.610 0.089 1.00 0.00 H new ATOM 0 HA TYR A 162 -5.950 -1.717 0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.558 -3.960 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.584 -2.353 1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.121 -0.388 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.096 -4.478 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.834 0.296 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -10.804 -3.798 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.074 -0.534 -3.184 1.00 0.00 H new ATOM 875 N CYS A 163 -4.489 -1.421 1.999 1.00 0.00 N ATOM 876 CA CYS A 163 -3.565 -1.222 3.109 1.00 0.00 C ATOM 877 C CYS A 163 -4.221 -1.589 4.436 1.00 0.00 C ATOM 878 O CYS A 163 -5.354 -2.069 4.468 1.00 0.00 O ATOM 879 CB CYS A 163 -3.088 0.232 3.148 1.00 0.00 C ATOM 880 SG CYS A 163 -4.303 1.395 3.847 1.00 0.00 S ATOM 0 H CYS A 163 -4.658 -0.587 1.437 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.706 -1.876 2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.170 0.286 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.839 0.549 2.135 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.467 2.394 3.031 1.00 0.00 H new ATOM 885 N GLU A 164 -3.501 -1.359 5.530 1.00 0.00 N ATOM 886 CA GLU A 164 -4.014 -1.666 6.860 1.00 0.00 C ATOM 887 C GLU A 164 -5.223 -0.796 7.191 1.00 0.00 C ATOM 888 O GLU A 164 -6.241 -1.287 7.682 1.00 0.00 O ATOM 889 CB GLU A 164 -2.922 -1.462 7.912 1.00 0.00 C ATOM 890 CG GLU A 164 -2.296 -0.078 7.879 1.00 0.00 C ATOM 891 CD GLU A 164 -0.818 -0.097 8.215 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.025 -0.573 7.376 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.454 0.364 9.317 1.00 0.00 O ATOM 0 H GLU A 164 -2.562 -0.962 5.521 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.326 -2.710 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.345 -1.637 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -2.142 -2.208 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.434 0.355 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.817 0.569 8.585 1.00 0.00 H new ATOM 900 N LEU A 165 -5.104 0.499 6.921 1.00 0.00 N ATOM 901 CA LEU A 165 -6.187 1.440 7.190 1.00 0.00 C ATOM 902 C LEU A 165 -7.501 0.942 6.596 1.00 0.00 C ATOM 903 O LEU A 165 -8.484 0.749 7.311 1.00 0.00 O ATOM 904 CB LEU A 165 -5.845 2.817 6.620 1.00 0.00 C ATOM 905 CG LEU A 165 -4.427 3.322 6.888 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.252 4.734 6.350 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.116 3.273 8.376 1.00 0.00 C ATOM 0 H LEU A 165 -4.269 0.922 6.516 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.306 1.521 8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.002 2.791 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.550 3.542 7.027 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.725 2.669 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.237 5.076 6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.431 4.739 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -4.963 5.400 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.103 3.636 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.823 3.902 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.199 2.246 8.731 1.00 0.00 H new ATOM 919 N CYS A 166 -7.510 0.735 5.283 1.00 0.00 N ATOM 920 CA CYS A 166 -8.701 0.258 4.592 1.00 0.00 C ATOM 921 C CYS A 166 -9.094 -1.133 5.081 1.00 0.00 C ATOM 922 O CYS A 166 -10.277 -1.439 5.229 1.00 0.00 O ATOM 923 CB CYS A 166 -8.463 0.231 3.081 1.00 0.00 C ATOM 924 SG CYS A 166 -7.855 1.806 2.396 1.00 0.00 S ATOM 0 H CYS A 166 -6.705 0.890 4.676 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.518 0.945 4.812 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.743 -0.555 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.395 -0.034 2.582 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.097 1.568 1.367 1.00 0.00 H new ATOM 929 N ARG A 167 -8.093 -1.971 5.329 1.00 0.00 N ATOM 930 CA ARG A 167 -8.333 -3.330 5.800 1.00 0.00 C ATOM 931 C ARG A 167 -9.102 -3.320 7.118 1.00 0.00 C ATOM 932 O ARG A 167 -10.034 -4.102 7.311 1.00 0.00 O ATOM 933 CB ARG A 167 -7.007 -4.073 5.977 1.00 0.00 C ATOM 934 CG ARG A 167 -6.621 -4.923 4.777 1.00 0.00 C ATOM 935 CD ARG A 167 -6.409 -6.376 5.169 1.00 0.00 C ATOM 936 NE ARG A 167 -5.065 -6.612 5.689 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.630 -7.802 6.090 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.430 -8.858 6.031 1.00 0.00 N ATOM 939 NH2 ARG A 167 -3.393 -7.937 6.551 1.00 0.00 N ATOM 0 H ARG A 167 -7.108 -1.733 5.212 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.934 -3.846 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.216 -3.347 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -7.073 -4.711 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -7.402 -4.860 4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.709 -4.529 4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -7.144 -6.659 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.579 -7.014 4.302 1.00 0.00 H new ATOM 0 HE ARG A 167 -4.425 -5.820 5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -6.381 -8.758 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -5.094 -9.770 6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.775 -7.127 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -3.060 -8.851 6.859 1.00 0.00 H new