USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 589 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 118 MET CE :methyl -146:sc= 0 (180deg=-0.511) USER MOD Set 1.3: A 140 THR OG1 : rot 180:sc= 0.072 USER MOD Set 1.4: A 165 HIS :FLIP no HD1:sc= -0.981 F(o=-2.1,f=-0.91) USER MOD Single : A 96 THR OG1 : rot 140:sc= -0.507 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 138:sc= -0.777 USER MOD Single : A 123 ASN :FLIP amide:sc= -3.05! C(o=-4.4!,f=-3!) USER MOD Single : A 125 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.1) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -120:sc= -2.46 (180deg=-5.51!) USER MOD Single : A 129 THR OG1 : rot -150:sc=-0.00189 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-1.2) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.024) USER MOD Single : A 149 CYS SG : rot 84:sc= -0.249 USER MOD Single : A 150 TYR OH : rot 30:sc= -0.216 USER MOD Single : A 152 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0304) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 43:sc= 0.901 USER MOD Single : A 171 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 12.141 2.373 -8.751 1.00 74.42 N ATOM 146 CA THR A 96 11.253 1.459 -8.042 1.00 2.12 C ATOM 147 C THR A 96 10.082 2.206 -7.414 1.00 25.13 C ATOM 148 O THR A 96 10.271 3.071 -6.558 1.00 12.00 O ATOM 149 CB THR A 96 12.006 0.688 -6.941 1.00 1.13 C ATOM 150 OG1 THR A 96 11.070 0.068 -6.051 1.00 25.13 O ATOM 151 CG2 THR A 96 12.919 1.619 -6.156 1.00 60.23 C ATOM 0 HA THR A 96 10.874 0.750 -8.778 1.00 2.12 H new ATOM 0 HB THR A 96 12.618 -0.078 -7.417 1.00 1.13 H new ATOM 0 HG1 THR A 96 11.390 -0.826 -5.811 1.00 25.13 H new ATOM 0 HG21 THR A 96 13.440 1.052 -5.384 1.00 60.23 H new ATOM 0 HG22 THR A 96 13.648 2.068 -6.831 1.00 60.23 H new ATOM 0 HG23 THR A 96 12.324 2.404 -5.690 1.00 60.23 H new ATOM 159 N THR A 97 8.871 1.866 -7.844 1.00 44.02 N ATOM 160 CA THR A 97 7.668 2.505 -7.324 1.00 45.35 C ATOM 161 C THR A 97 6.437 1.642 -7.572 1.00 34.01 C ATOM 162 O THR A 97 6.232 1.137 -8.676 1.00 10.41 O ATOM 163 CB THR A 97 7.448 3.890 -7.961 1.00 72.53 C ATOM 164 OG1 THR A 97 7.901 3.882 -9.320 1.00 24.20 O ATOM 165 CG2 THR A 97 8.185 4.969 -7.182 1.00 63.33 C ATOM 0 H THR A 97 8.697 1.152 -8.551 1.00 44.02 H new ATOM 0 HA THR A 97 7.813 2.626 -6.250 1.00 45.35 H new ATOM 0 HB THR A 97 6.381 4.111 -7.935 1.00 72.53 H new ATOM 0 HG1 THR A 97 7.756 4.766 -9.718 1.00 24.20 H new ATOM 0 HG21 THR A 97 8.014 5.938 -7.652 1.00 63.33 H new ATOM 0 HG22 THR A 97 7.817 4.993 -6.156 1.00 63.33 H new ATOM 0 HG23 THR A 97 9.253 4.751 -7.179 1.00 63.33 H new ATOM 173 N SER A 98 5.618 1.476 -6.537 1.00 51.23 N ATOM 174 CA SER A 98 4.407 0.670 -6.643 1.00 11.33 C ATOM 175 C SER A 98 3.168 1.559 -6.695 1.00 52.01 C ATOM 176 O SER A 98 3.151 2.656 -6.137 1.00 14.20 O ATOM 177 CB SER A 98 4.307 -0.294 -5.460 1.00 52.00 C ATOM 178 OG SER A 98 4.897 -1.545 -5.771 1.00 32.11 O ATOM 0 H SER A 98 5.771 1.889 -5.617 1.00 51.23 H new ATOM 0 HA SER A 98 4.461 0.095 -7.568 1.00 11.33 H new ATOM 0 HB2 SER A 98 4.802 0.139 -4.591 1.00 52.00 H new ATOM 0 HB3 SER A 98 3.260 -0.438 -5.192 1.00 52.00 H new ATOM 0 HG SER A 98 4.822 -2.143 -4.998 1.00 32.11 H new ATOM 184 N THR A 99 2.130 1.075 -7.370 1.00 71.34 N ATOM 185 CA THR A 99 0.885 1.824 -7.498 1.00 61.43 C ATOM 186 C THR A 99 -0.323 0.899 -7.417 1.00 34.50 C ATOM 187 O THR A 99 -0.228 -0.291 -7.722 1.00 14.42 O ATOM 188 CB THR A 99 0.832 2.603 -8.827 1.00 31.55 C ATOM 189 OG1 THR A 99 2.128 3.127 -9.138 1.00 55.32 O ATOM 190 CG2 THR A 99 -0.176 3.739 -8.747 1.00 22.10 C ATOM 0 H THR A 99 2.126 0.168 -7.836 1.00 71.34 H new ATOM 0 HA THR A 99 0.855 2.531 -6.669 1.00 61.43 H new ATOM 0 HB THR A 99 0.520 1.917 -9.615 1.00 31.55 H new ATOM 0 HG1 THR A 99 2.087 3.619 -9.984 1.00 55.32 H new ATOM 0 HG21 THR A 99 -0.196 4.275 -9.696 1.00 22.10 H new ATOM 0 HG22 THR A 99 -1.166 3.333 -8.538 1.00 22.10 H new ATOM 0 HG23 THR A 99 0.111 4.424 -7.949 1.00 22.10 H new ATOM 198 N TRP A 100 -1.459 1.451 -7.004 1.00 23.11 N ATOM 199 CA TRP A 100 -2.686 0.675 -6.883 1.00 34.44 C ATOM 200 C TRP A 100 -3.912 1.558 -7.087 1.00 41.34 C ATOM 201 O TRP A 100 -4.047 2.606 -6.456 1.00 34.42 O ATOM 202 CB TRP A 100 -2.754 -0.002 -5.511 1.00 51.15 C ATOM 203 CG TRP A 100 -1.585 -0.898 -5.233 1.00 41.23 C ATOM 204 CD1 TRP A 100 -1.383 -2.157 -5.721 1.00 34.23 C ATOM 205 CD2 TRP A 100 -0.459 -0.602 -4.402 1.00 4.24 C ATOM 206 NE1 TRP A 100 -0.199 -2.663 -5.242 1.00 13.12 N ATOM 207 CE2 TRP A 100 0.388 -1.727 -4.430 1.00 65.13 C ATOM 208 CE3 TRP A 100 -0.081 0.505 -3.636 1.00 24.41 C ATOM 209 CZ2 TRP A 100 1.587 -1.777 -3.723 1.00 34.24 C ATOM 210 CZ3 TRP A 100 1.108 0.454 -2.934 1.00 4.45 C ATOM 211 CH2 TRP A 100 1.931 -0.680 -2.981 1.00 50.54 C ATOM 0 H TRP A 100 -1.555 2.434 -6.747 1.00 23.11 H new ATOM 0 HA TRP A 100 -2.679 -0.090 -7.659 1.00 34.44 H new ATOM 0 HB2 TRP A 100 -2.807 0.764 -4.738 1.00 51.15 H new ATOM 0 HB3 TRP A 100 -3.673 -0.585 -5.446 1.00 51.15 H new ATOM 0 HD1 TRP A 100 -2.055 -2.679 -6.386 1.00 34.23 H new ATOM 0 HE1 TRP A 100 0.181 -3.585 -5.456 1.00 13.12 H new ATOM 0 HE3 TRP A 100 -0.707 1.384 -3.594 1.00 24.41 H new ATOM 0 HZ2 TRP A 100 2.222 -2.650 -3.759 1.00 34.24 H new ATOM 0 HZ3 TRP A 100 1.409 1.303 -2.338 1.00 4.45 H new ATOM 0 HH2 TRP A 100 2.854 -0.688 -2.421 1.00 50.54 H new ATOM 222 N VAL A 101 -4.803 1.130 -7.975 1.00 74.44 N ATOM 223 CA VAL A 101 -6.019 1.881 -8.263 1.00 2.53 C ATOM 224 C VAL A 101 -7.247 1.183 -7.690 1.00 64.50 C ATOM 225 O VAL A 101 -7.601 0.081 -8.111 1.00 71.25 O ATOM 226 CB VAL A 101 -6.214 2.076 -9.778 1.00 53.11 C ATOM 227 CG1 VAL A 101 -7.357 3.042 -10.051 1.00 33.13 C ATOM 228 CG2 VAL A 101 -4.925 2.567 -10.422 1.00 73.32 C ATOM 0 H VAL A 101 -4.705 0.266 -8.508 1.00 74.44 H new ATOM 0 HA VAL A 101 -5.906 2.856 -7.790 1.00 2.53 H new ATOM 0 HB VAL A 101 -6.471 1.113 -10.220 1.00 53.11 H new ATOM 0 HG11 VAL A 101 -7.479 3.167 -11.127 1.00 33.13 H new ATOM 0 HG12 VAL A 101 -8.278 2.645 -9.625 1.00 33.13 H new ATOM 0 HG13 VAL A 101 -7.134 4.007 -9.597 1.00 33.13 H new ATOM 0 HG21 VAL A 101 -5.081 2.699 -11.493 1.00 73.32 H new ATOM 0 HG22 VAL A 101 -4.636 3.519 -9.977 1.00 73.32 H new ATOM 0 HG23 VAL A 101 -4.135 1.835 -10.258 1.00 73.32 H new ATOM 238 N LEU A 102 -7.892 1.829 -6.725 1.00 73.20 N ATOM 239 CA LEU A 102 -9.082 1.270 -6.093 1.00 1.35 C ATOM 240 C LEU A 102 -10.124 2.355 -5.840 1.00 74.35 C ATOM 241 O LEU A 102 -9.784 3.502 -5.553 1.00 53.31 O ATOM 242 CB LEU A 102 -8.710 0.587 -4.775 1.00 75.24 C ATOM 243 CG LEU A 102 -8.292 1.513 -3.634 1.00 10.31 C ATOM 244 CD1 LEU A 102 -8.960 1.093 -2.334 1.00 2.24 C ATOM 245 CD2 LEU A 102 -6.779 1.521 -3.480 1.00 51.12 C ATOM 0 H LEU A 102 -7.611 2.740 -6.363 1.00 73.20 H new ATOM 0 HA LEU A 102 -9.510 0.531 -6.770 1.00 1.35 H new ATOM 0 HB2 LEU A 102 -9.563 -0.004 -4.442 1.00 75.24 H new ATOM 0 HB3 LEU A 102 -7.894 -0.110 -4.968 1.00 75.24 H new ATOM 0 HG LEU A 102 -8.617 2.525 -3.875 1.00 10.31 H new ATOM 0 HD11 LEU A 102 -8.650 1.764 -1.533 1.00 2.24 H new ATOM 0 HD12 LEU A 102 -10.043 1.141 -2.449 1.00 2.24 H new ATOM 0 HD13 LEU A 102 -8.666 0.073 -2.087 1.00 2.24 H new ATOM 0 HD21 LEU A 102 -6.500 2.186 -2.663 1.00 51.12 H new ATOM 0 HD22 LEU A 102 -6.430 0.512 -3.262 1.00 51.12 H new ATOM 0 HD23 LEU A 102 -6.321 1.871 -4.405 1.00 51.12 H new ATOM 257 N ARG A 103 -11.396 1.982 -5.947 1.00 61.10 N ATOM 258 CA ARG A 103 -12.488 2.923 -5.729 1.00 72.23 C ATOM 259 C ARG A 103 -12.641 3.244 -4.245 1.00 45.04 C ATOM 260 O ARG A 103 -13.342 2.542 -3.516 1.00 20.32 O ATOM 261 CB ARG A 103 -13.798 2.351 -6.275 1.00 34.42 C ATOM 262 CG ARG A 103 -14.353 3.124 -7.460 1.00 20.10 C ATOM 263 CD ARG A 103 -15.560 2.425 -8.065 1.00 74.34 C ATOM 264 NE ARG A 103 -15.172 1.300 -8.913 1.00 34.44 N ATOM 265 CZ ARG A 103 -16.041 0.439 -9.433 1.00 63.53 C ATOM 266 NH1 ARG A 103 -17.338 0.573 -9.195 1.00 4.34 N ATOM 267 NH2 ARG A 103 -15.610 -0.560 -10.195 1.00 32.24 N ATOM 0 H ARG A 103 -11.695 1.036 -6.183 1.00 61.10 H new ATOM 0 HA ARG A 103 -12.252 3.845 -6.260 1.00 72.23 H new ATOM 0 HB2 ARG A 103 -13.636 1.315 -6.572 1.00 34.42 H new ATOM 0 HB3 ARG A 103 -14.541 2.342 -5.478 1.00 34.42 H new ATOM 0 HG2 ARG A 103 -14.634 4.128 -7.141 1.00 20.10 H new ATOM 0 HG3 ARG A 103 -13.578 3.236 -8.218 1.00 20.10 H new ATOM 0 HD2 ARG A 103 -16.211 2.070 -7.266 1.00 74.34 H new ATOM 0 HD3 ARG A 103 -16.137 3.140 -8.652 1.00 74.34 H new ATOM 0 HE ARG A 103 -14.181 1.168 -9.117 1.00 34.44 H new ATOM 0 HH11 ARG A 103 -17.673 1.339 -8.611 1.00 4.34 H new ATOM 0 HH12 ARG A 103 -18.001 -0.090 -9.596 1.00 4.34 H new ATOM 0 HH21 ARG A 103 -14.613 -0.666 -10.381 1.00 32.24 H new ATOM 0 HH22 ARG A 103 -16.276 -1.221 -10.594 1.00 32.24 H new ATOM 281 N LEU A 104 -11.979 4.310 -3.806 1.00 31.51 N ATOM 282 CA LEU A 104 -12.041 4.725 -2.408 1.00 61.14 C ATOM 283 C LEU A 104 -12.491 6.177 -2.292 1.00 2.54 C ATOM 284 O LEU A 104 -12.282 6.978 -3.203 1.00 73.22 O ATOM 285 CB LEU A 104 -10.675 4.547 -1.743 1.00 32.43 C ATOM 286 CG LEU A 104 -10.695 4.160 -0.264 1.00 3.23 C ATOM 287 CD1 LEU A 104 -9.626 3.119 0.031 1.00 31.21 C ATOM 288 CD2 LEU A 104 -10.499 5.391 0.611 1.00 21.21 C ATOM 0 H LEU A 104 -11.394 4.901 -4.397 1.00 31.51 H new ATOM 0 HA LEU A 104 -12.771 4.096 -1.898 1.00 61.14 H new ATOM 0 HB2 LEU A 104 -10.123 3.783 -2.291 1.00 32.43 H new ATOM 0 HB3 LEU A 104 -10.118 5.478 -1.847 1.00 32.43 H new ATOM 0 HG LEU A 104 -11.668 3.726 -0.035 1.00 3.23 H new ATOM 0 HD11 LEU A 104 -9.656 2.856 1.088 1.00 31.21 H new ATOM 0 HD12 LEU A 104 -9.810 2.228 -0.570 1.00 31.21 H new ATOM 0 HD13 LEU A 104 -8.645 3.525 -0.214 1.00 31.21 H new ATOM 0 HD21 LEU A 104 -10.516 5.098 1.661 1.00 21.21 H new ATOM 0 HD22 LEU A 104 -9.540 5.853 0.379 1.00 21.21 H new ATOM 0 HD23 LEU A 104 -11.301 6.104 0.421 1.00 21.21 H new ATOM 300 N ASP A 105 -13.106 6.511 -1.163 1.00 33.35 N ATOM 301 CA ASP A 105 -13.583 7.869 -0.925 1.00 65.21 C ATOM 302 C ASP A 105 -14.686 8.239 -1.912 1.00 64.11 C ATOM 303 O ASP A 105 -15.027 9.410 -2.066 1.00 41.44 O ATOM 304 CB ASP A 105 -12.427 8.864 -1.035 1.00 13.31 C ATOM 305 CG ASP A 105 -12.365 9.812 0.147 1.00 42.52 C ATOM 306 OD1 ASP A 105 -13.428 10.328 0.550 1.00 31.24 O ATOM 307 OD2 ASP A 105 -11.252 10.039 0.667 1.00 75.20 O ATOM 0 H ASP A 105 -13.286 5.861 -0.398 1.00 33.35 H new ATOM 0 HA ASP A 105 -13.995 7.912 0.083 1.00 65.21 H new ATOM 0 HB2 ASP A 105 -11.487 8.318 -1.109 1.00 13.31 H new ATOM 0 HB3 ASP A 105 -12.534 9.440 -1.954 1.00 13.31 H new ATOM 312 N GLY A 106 -15.239 7.230 -2.579 1.00 43.44 N ATOM 313 CA GLY A 106 -16.296 7.470 -3.544 1.00 24.10 C ATOM 314 C GLY A 106 -15.760 7.756 -4.932 1.00 71.21 C ATOM 315 O GLY A 106 -16.527 8.000 -5.862 1.00 55.40 O ATOM 0 H GLY A 106 -14.974 6.251 -2.468 1.00 43.44 H new ATOM 0 HA2 GLY A 106 -16.952 6.600 -3.583 1.00 24.10 H new ATOM 0 HA3 GLY A 106 -16.903 8.312 -3.212 1.00 24.10 H new ATOM 319 N GLU A 107 -14.438 7.727 -5.073 1.00 31.34 N ATOM 320 CA GLU A 107 -13.801 7.988 -6.358 1.00 31.03 C ATOM 321 C GLU A 107 -12.626 7.040 -6.585 1.00 12.13 C ATOM 322 O GLU A 107 -12.242 6.285 -5.691 1.00 74.14 O ATOM 323 CB GLU A 107 -13.321 9.439 -6.429 1.00 42.23 C ATOM 324 CG GLU A 107 -14.250 10.348 -7.216 1.00 44.52 C ATOM 325 CD GLU A 107 -13.574 10.967 -8.425 1.00 74.11 C ATOM 326 OE1 GLU A 107 -12.944 12.033 -8.272 1.00 64.01 O ATOM 327 OE2 GLU A 107 -13.678 10.383 -9.525 1.00 24.13 O ATOM 0 H GLU A 107 -13.788 7.525 -4.313 1.00 31.34 H new ATOM 0 HA GLU A 107 -14.539 7.819 -7.142 1.00 31.03 H new ATOM 0 HB2 GLU A 107 -13.217 9.829 -5.416 1.00 42.23 H new ATOM 0 HB3 GLU A 107 -12.331 9.464 -6.884 1.00 42.23 H new ATOM 0 HG2 GLU A 107 -15.119 9.778 -7.543 1.00 44.52 H new ATOM 0 HG3 GLU A 107 -14.616 11.141 -6.563 1.00 44.52 H new ATOM 334 N ASP A 108 -12.059 7.087 -7.785 1.00 54.01 N ATOM 335 CA ASP A 108 -10.928 6.235 -8.131 1.00 33.11 C ATOM 336 C ASP A 108 -9.676 6.656 -7.367 1.00 51.43 C ATOM 337 O ASP A 108 -8.874 7.450 -7.860 1.00 52.53 O ATOM 338 CB ASP A 108 -10.664 6.287 -9.637 1.00 22.43 C ATOM 339 CG ASP A 108 -11.320 5.140 -10.380 1.00 32.34 C ATOM 340 OD1 ASP A 108 -12.545 4.952 -10.219 1.00 22.11 O ATOM 341 OD2 ASP A 108 -10.610 4.430 -11.122 1.00 52.42 O ATOM 0 H ASP A 108 -12.365 7.707 -8.535 1.00 54.01 H new ATOM 0 HA ASP A 108 -11.176 5.212 -7.849 1.00 33.11 H new ATOM 0 HB2 ASP A 108 -11.033 7.232 -10.035 1.00 22.43 H new ATOM 0 HB3 ASP A 108 -9.589 6.264 -9.815 1.00 22.43 H new ATOM 346 N LEU A 109 -9.516 6.121 -6.163 1.00 32.05 N ATOM 347 CA LEU A 109 -8.363 6.443 -5.329 1.00 42.32 C ATOM 348 C LEU A 109 -7.084 5.860 -5.922 1.00 30.31 C ATOM 349 O LEU A 109 -6.999 4.659 -6.178 1.00 62.44 O ATOM 350 CB LEU A 109 -8.569 5.912 -3.910 1.00 74.30 C ATOM 351 CG LEU A 109 -7.959 6.748 -2.784 1.00 63.55 C ATOM 352 CD1 LEU A 109 -8.969 7.756 -2.260 1.00 4.34 C ATOM 353 CD2 LEU A 109 -7.467 5.849 -1.659 1.00 61.41 C ATOM 0 H LEU A 109 -10.170 5.462 -5.741 1.00 32.05 H new ATOM 0 HA LEU A 109 -8.264 7.528 -5.292 1.00 42.32 H new ATOM 0 HB2 LEU A 109 -9.640 5.822 -3.729 1.00 74.30 H new ATOM 0 HB3 LEU A 109 -8.151 4.907 -3.856 1.00 74.30 H new ATOM 0 HG LEU A 109 -7.106 7.295 -3.185 1.00 63.55 H new ATOM 0 HD11 LEU A 109 -8.517 8.342 -1.459 1.00 4.34 H new ATOM 0 HD12 LEU A 109 -9.273 8.421 -3.069 1.00 4.34 H new ATOM 0 HD13 LEU A 109 -9.843 7.230 -1.876 1.00 4.34 H new ATOM 0 HD21 LEU A 109 -7.036 6.461 -0.866 1.00 61.41 H new ATOM 0 HD22 LEU A 109 -8.303 5.275 -1.260 1.00 61.41 H new ATOM 0 HD23 LEU A 109 -6.709 5.167 -2.044 1.00 61.41 H new ATOM 365 N ARG A 110 -6.091 6.718 -6.134 1.00 74.05 N ATOM 366 CA ARG A 110 -4.816 6.287 -6.695 1.00 13.12 C ATOM 367 C ARG A 110 -3.745 6.210 -5.612 1.00 40.23 C ATOM 368 O ARG A 110 -3.296 7.233 -5.094 1.00 31.20 O ATOM 369 CB ARG A 110 -4.372 7.246 -7.801 1.00 51.11 C ATOM 370 CG ARG A 110 -3.276 6.684 -8.691 1.00 72.12 C ATOM 371 CD ARG A 110 -2.587 7.780 -9.488 1.00 10.12 C ATOM 372 NE ARG A 110 -3.336 8.135 -10.691 1.00 23.42 N ATOM 373 CZ ARG A 110 -2.889 8.983 -11.610 1.00 54.23 C ATOM 374 NH1 ARG A 110 -1.705 9.562 -11.465 1.00 74.54 N ATOM 375 NH2 ARG A 110 -3.629 9.255 -12.679 1.00 33.04 N ATOM 0 H ARG A 110 -6.145 7.715 -5.926 1.00 74.05 H new ATOM 0 HA ARG A 110 -4.951 5.292 -7.119 1.00 13.12 H new ATOM 0 HB2 ARG A 110 -5.234 7.500 -8.417 1.00 51.11 H new ATOM 0 HB3 ARG A 110 -4.020 8.173 -7.347 1.00 51.11 H new ATOM 0 HG2 ARG A 110 -2.541 6.162 -8.079 1.00 72.12 H new ATOM 0 HG3 ARG A 110 -3.702 5.949 -9.374 1.00 72.12 H new ATOM 0 HD2 ARG A 110 -2.468 8.664 -8.861 1.00 10.12 H new ATOM 0 HD3 ARG A 110 -1.586 7.450 -9.768 1.00 10.12 H new ATOM 0 HE ARG A 110 -4.252 7.709 -10.833 1.00 23.42 H new ATOM 0 HH11 ARG A 110 -1.134 9.357 -10.645 1.00 74.54 H new ATOM 0 HH12 ARG A 110 -1.365 10.213 -12.173 1.00 74.54 H new ATOM 0 HH21 ARG A 110 -4.541 8.813 -12.794 1.00 33.04 H new ATOM 0 HH22 ARG A 110 -3.285 9.906 -13.385 1.00 33.04 H new ATOM 389 N VAL A 111 -3.338 4.990 -5.274 1.00 73.03 N ATOM 390 CA VAL A 111 -2.319 4.778 -4.254 1.00 0.53 C ATOM 391 C VAL A 111 -0.938 4.623 -4.880 1.00 51.34 C ATOM 392 O VAL A 111 -0.774 3.927 -5.883 1.00 20.32 O ATOM 393 CB VAL A 111 -2.628 3.533 -3.402 1.00 23.01 C ATOM 394 CG1 VAL A 111 -2.047 3.685 -2.004 1.00 1.20 C ATOM 395 CG2 VAL A 111 -4.127 3.288 -3.341 1.00 35.20 C ATOM 0 H VAL A 111 -3.699 4.133 -5.693 1.00 73.03 H new ATOM 0 HA VAL A 111 -2.326 5.659 -3.612 1.00 0.53 H new ATOM 0 HB VAL A 111 -2.161 2.668 -3.872 1.00 23.01 H new ATOM 0 HG11 VAL A 111 -2.275 2.796 -1.416 1.00 1.20 H new ATOM 0 HG12 VAL A 111 -0.966 3.808 -2.071 1.00 1.20 H new ATOM 0 HG13 VAL A 111 -2.483 4.560 -1.522 1.00 1.20 H new ATOM 0 HG21 VAL A 111 -4.327 2.404 -2.735 1.00 35.20 H new ATOM 0 HG22 VAL A 111 -4.619 4.153 -2.896 1.00 35.20 H new ATOM 0 HG23 VAL A 111 -4.511 3.131 -4.349 1.00 35.20 H new ATOM 405 N VAL A 112 0.053 5.275 -4.283 1.00 44.53 N ATOM 406 CA VAL A 112 1.422 5.209 -4.781 1.00 50.01 C ATOM 407 C VAL A 112 2.414 5.018 -3.639 1.00 63.24 C ATOM 408 O VAL A 112 2.468 5.821 -2.707 1.00 42.35 O ATOM 409 CB VAL A 112 1.798 6.481 -5.564 1.00 51.14 C ATOM 410 CG1 VAL A 112 3.260 6.439 -5.982 1.00 15.25 C ATOM 411 CG2 VAL A 112 0.893 6.645 -6.777 1.00 11.13 C ATOM 0 H VAL A 112 -0.066 5.856 -3.453 1.00 44.53 H new ATOM 0 HA VAL A 112 1.473 4.351 -5.451 1.00 50.01 H new ATOM 0 HB VAL A 112 1.656 7.343 -4.913 1.00 51.14 H new ATOM 0 HG11 VAL A 112 3.507 7.346 -6.534 1.00 15.25 H new ATOM 0 HG12 VAL A 112 3.890 6.371 -5.095 1.00 15.25 H new ATOM 0 HG13 VAL A 112 3.432 5.570 -6.617 1.00 15.25 H new ATOM 0 HG21 VAL A 112 1.172 7.548 -7.319 1.00 11.13 H new ATOM 0 HG22 VAL A 112 1.002 5.780 -7.432 1.00 11.13 H new ATOM 0 HG23 VAL A 112 -0.144 6.724 -6.450 1.00 11.13 H new ATOM 421 N LEU A 113 3.198 3.948 -3.718 1.00 2.21 N ATOM 422 CA LEU A 113 4.191 3.650 -2.691 1.00 32.14 C ATOM 423 C LEU A 113 5.606 3.848 -3.226 1.00 31.54 C ATOM 424 O LEU A 113 6.084 3.062 -4.043 1.00 41.35 O ATOM 425 CB LEU A 113 4.019 2.215 -2.188 1.00 33.10 C ATOM 426 CG LEU A 113 5.112 1.696 -1.254 1.00 31.14 C ATOM 427 CD1 LEU A 113 5.583 2.798 -0.318 1.00 13.11 C ATOM 428 CD2 LEU A 113 4.611 0.498 -0.461 1.00 63.14 C ATOM 0 H LEU A 113 3.165 3.273 -4.482 1.00 2.21 H new ATOM 0 HA LEU A 113 4.037 4.340 -1.861 1.00 32.14 H new ATOM 0 HB2 LEU A 113 3.063 2.145 -1.670 1.00 33.10 H new ATOM 0 HB3 LEU A 113 3.962 1.553 -3.052 1.00 33.10 H new ATOM 0 HG LEU A 113 5.960 1.377 -1.860 1.00 31.14 H new ATOM 0 HD11 LEU A 113 6.361 2.409 0.339 1.00 13.11 H new ATOM 0 HD12 LEU A 113 5.983 3.626 -0.903 1.00 13.11 H new ATOM 0 HD13 LEU A 113 4.743 3.149 0.282 1.00 13.11 H new ATOM 0 HD21 LEU A 113 5.402 0.142 0.199 1.00 63.14 H new ATOM 0 HD22 LEU A 113 3.747 0.792 0.135 1.00 63.14 H new ATOM 0 HD23 LEU A 113 4.325 -0.299 -1.147 1.00 63.14 H new ATOM 440 N GLU A 114 6.269 4.901 -2.758 1.00 33.42 N ATOM 441 CA GLU A 114 7.629 5.199 -3.189 1.00 51.24 C ATOM 442 C GLU A 114 8.646 4.419 -2.361 1.00 40.21 C ATOM 443 O GLU A 114 8.526 4.323 -1.140 1.00 34.50 O ATOM 444 CB GLU A 114 7.905 6.700 -3.076 1.00 31.03 C ATOM 445 CG GLU A 114 8.330 7.341 -4.386 1.00 42.30 C ATOM 446 CD GLU A 114 7.388 8.442 -4.830 1.00 74.30 C ATOM 447 OE1 GLU A 114 6.336 8.119 -5.423 1.00 61.20 O ATOM 448 OE2 GLU A 114 7.699 9.626 -4.585 1.00 60.04 O ATOM 0 H GLU A 114 5.886 5.561 -2.081 1.00 33.42 H new ATOM 0 HA GLU A 114 7.728 4.896 -4.231 1.00 51.24 H new ATOM 0 HB2 GLU A 114 7.007 7.199 -2.711 1.00 31.03 H new ATOM 0 HB3 GLU A 114 8.685 6.862 -2.332 1.00 31.03 H new ATOM 0 HG2 GLU A 114 9.335 7.750 -4.277 1.00 42.30 H new ATOM 0 HG3 GLU A 114 8.380 6.576 -5.161 1.00 42.30 H new ATOM 455 N LYS A 115 9.647 3.864 -3.035 1.00 3.33 N ATOM 456 CA LYS A 115 10.687 3.093 -2.363 1.00 44.50 C ATOM 457 C LYS A 115 11.639 4.011 -1.602 1.00 70.32 C ATOM 458 O LYS A 115 12.390 3.561 -0.736 1.00 53.43 O ATOM 459 CB LYS A 115 11.470 2.261 -3.381 1.00 65.11 C ATOM 460 CG LYS A 115 11.546 0.785 -3.029 1.00 61.31 C ATOM 461 CD LYS A 115 12.450 0.543 -1.831 1.00 72.44 C ATOM 462 CE LYS A 115 13.901 0.864 -2.154 1.00 62.55 C ATOM 463 NZ LYS A 115 14.823 -0.212 -1.694 1.00 33.03 N ATOM 0 H LYS A 115 9.761 3.933 -4.046 1.00 3.33 H new ATOM 0 HA LYS A 115 10.206 2.425 -1.649 1.00 44.50 H new ATOM 0 HB2 LYS A 115 11.005 2.369 -4.361 1.00 65.11 H new ATOM 0 HB3 LYS A 115 12.481 2.659 -3.463 1.00 65.11 H new ATOM 0 HG2 LYS A 115 10.546 0.410 -2.813 1.00 61.31 H new ATOM 0 HG3 LYS A 115 11.919 0.224 -3.886 1.00 61.31 H new ATOM 0 HD2 LYS A 115 12.118 1.157 -0.994 1.00 72.44 H new ATOM 0 HD3 LYS A 115 12.368 -0.497 -1.516 1.00 72.44 H new ATOM 0 HE2 LYS A 115 14.012 1.002 -3.230 1.00 62.55 H new ATOM 0 HE3 LYS A 115 14.178 1.806 -1.682 1.00 62.55 H new ATOM 0 HZ1 LYS A 115 15.802 0.044 -1.933 1.00 33.03 H new ATOM 0 HZ2 LYS A 115 14.736 -0.327 -0.664 1.00 33.03 H new ATOM 0 HZ3 LYS A 115 14.575 -1.106 -2.164 1.00 33.03 H new ATOM 477 N ASP A 116 11.601 5.298 -1.928 1.00 63.25 N ATOM 478 CA ASP A 116 12.459 6.279 -1.274 1.00 31.32 C ATOM 479 C ASP A 116 12.344 6.173 0.244 1.00 60.33 C ATOM 480 O ASP A 116 13.345 6.017 0.944 1.00 40.12 O ATOM 481 CB ASP A 116 12.091 7.693 -1.728 1.00 25.43 C ATOM 482 CG ASP A 116 12.421 7.935 -3.187 1.00 61.14 C ATOM 483 OD1 ASP A 116 12.910 6.996 -3.850 1.00 41.44 O ATOM 484 OD2 ASP A 116 12.189 9.064 -3.668 1.00 14.04 O ATOM 0 H ASP A 116 10.985 5.687 -2.642 1.00 63.25 H new ATOM 0 HA ASP A 116 13.491 6.071 -1.559 1.00 31.32 H new ATOM 0 HB2 ASP A 116 11.026 7.858 -1.567 1.00 25.43 H new ATOM 0 HB3 ASP A 116 12.622 8.419 -1.113 1.00 25.43 H new ATOM 489 N THR A 117 11.117 6.260 0.747 1.00 53.10 N ATOM 490 CA THR A 117 10.871 6.176 2.181 1.00 14.51 C ATOM 491 C THR A 117 9.652 5.310 2.481 1.00 43.43 C ATOM 492 O THR A 117 9.097 5.362 3.578 1.00 14.23 O ATOM 493 CB THR A 117 10.659 7.573 2.797 1.00 34.44 C ATOM 494 OG1 THR A 117 11.302 8.566 1.992 1.00 5.11 O ATOM 495 CG2 THR A 117 11.207 7.627 4.215 1.00 30.24 C ATOM 0 H THR A 117 10.278 6.389 0.182 1.00 53.10 H new ATOM 0 HA THR A 117 11.755 5.720 2.627 1.00 14.51 H new ATOM 0 HB THR A 117 9.588 7.773 2.831 1.00 34.44 H new ATOM 0 HG1 THR A 117 11.161 9.451 2.389 1.00 5.11 H new ATOM 0 HG21 THR A 117 11.046 8.622 4.630 1.00 30.24 H new ATOM 0 HG22 THR A 117 10.693 6.890 4.832 1.00 30.24 H new ATOM 0 HG23 THR A 117 12.275 7.408 4.201 1.00 30.24 H new ATOM 503 N MET A 118 9.242 4.514 1.499 1.00 62.01 N ATOM 504 CA MET A 118 8.090 3.635 1.660 1.00 54.11 C ATOM 505 C MET A 118 6.836 4.438 1.990 1.00 14.24 C ATOM 506 O MET A 118 5.875 3.905 2.545 1.00 75.43 O ATOM 507 CB MET A 118 8.356 2.606 2.760 1.00 54.42 C ATOM 508 CG MET A 118 9.078 1.363 2.267 1.00 22.31 C ATOM 509 SD MET A 118 8.858 -0.050 3.367 1.00 5.11 S ATOM 510 CE MET A 118 7.274 -0.670 2.808 1.00 34.12 C ATOM 0 H MET A 118 9.690 4.460 0.584 1.00 62.01 H new ATOM 0 HA MET A 118 7.928 3.113 0.717 1.00 54.11 H new ATOM 0 HB2 MET A 118 8.949 3.072 3.547 1.00 54.42 H new ATOM 0 HB3 MET A 118 7.407 2.311 3.208 1.00 54.42 H new ATOM 0 HG2 MET A 118 8.712 1.105 1.273 1.00 22.31 H new ATOM 0 HG3 MET A 118 10.142 1.580 2.169 1.00 22.31 H new ATOM 0 HE1 MET A 118 6.725 -1.081 3.655 1.00 34.12 H new ATOM 0 HE2 MET A 118 6.701 0.144 2.364 1.00 34.12 H new ATOM 0 HE3 MET A 118 7.431 -1.451 2.064 1.00 34.12 H new ATOM 520 N ASP A 119 6.852 5.721 1.647 1.00 53.44 N ATOM 521 CA ASP A 119 5.716 6.597 1.906 1.00 32.22 C ATOM 522 C ASP A 119 4.541 6.247 0.998 1.00 62.04 C ATOM 523 O ASP A 119 4.727 5.902 -0.170 1.00 12.35 O ATOM 524 CB ASP A 119 6.114 8.059 1.705 1.00 42.34 C ATOM 525 CG ASP A 119 6.136 8.839 3.005 1.00 63.23 C ATOM 526 OD1 ASP A 119 7.181 8.820 3.689 1.00 15.41 O ATOM 527 OD2 ASP A 119 5.109 9.466 3.337 1.00 1.44 O ATOM 0 H ASP A 119 7.640 6.178 1.188 1.00 53.44 H new ATOM 0 HA ASP A 119 5.407 6.453 2.941 1.00 32.22 H new ATOM 0 HB2 ASP A 119 7.100 8.103 1.242 1.00 42.34 H new ATOM 0 HB3 ASP A 119 5.415 8.531 1.014 1.00 42.34 H new ATOM 532 N VAL A 120 3.332 6.337 1.542 1.00 72.42 N ATOM 533 CA VAL A 120 2.126 6.030 0.781 1.00 21.20 C ATOM 534 C VAL A 120 1.384 7.303 0.391 1.00 74.23 C ATOM 535 O VAL A 120 0.939 8.062 1.252 1.00 11.33 O ATOM 536 CB VAL A 120 1.176 5.117 1.579 1.00 14.30 C ATOM 537 CG1 VAL A 120 -0.077 4.814 0.771 1.00 71.42 C ATOM 538 CG2 VAL A 120 1.884 3.834 1.983 1.00 65.43 C ATOM 0 H VAL A 120 3.161 6.620 2.507 1.00 72.42 H new ATOM 0 HA VAL A 120 2.445 5.508 -0.122 1.00 21.20 H new ATOM 0 HB VAL A 120 0.876 5.639 2.487 1.00 14.30 H new ATOM 0 HG11 VAL A 120 -0.736 4.168 1.351 1.00 71.42 H new ATOM 0 HG12 VAL A 120 -0.594 5.745 0.538 1.00 71.42 H new ATOM 0 HG13 VAL A 120 0.200 4.312 -0.156 1.00 71.42 H new ATOM 0 HG21 VAL A 120 1.198 3.201 2.546 1.00 65.43 H new ATOM 0 HG22 VAL A 120 2.216 3.305 1.090 1.00 65.43 H new ATOM 0 HG23 VAL A 120 2.747 4.075 2.604 1.00 65.43 H new ATOM 548 N TRP A 121 1.252 7.529 -0.911 1.00 1.23 N ATOM 549 CA TRP A 121 0.562 8.711 -1.415 1.00 42.14 C ATOM 550 C TRP A 121 -0.855 8.365 -1.862 1.00 62.44 C ATOM 551 O TRP A 121 -1.066 7.394 -2.590 1.00 64.01 O ATOM 552 CB TRP A 121 1.341 9.324 -2.580 1.00 22.24 C ATOM 553 CG TRP A 121 1.124 10.799 -2.729 1.00 62.33 C ATOM 554 CD1 TRP A 121 0.365 11.602 -1.925 1.00 65.52 C ATOM 555 CD2 TRP A 121 1.668 11.647 -3.746 1.00 4.21 C ATOM 556 NE1 TRP A 121 0.407 12.897 -2.381 1.00 33.31 N ATOM 557 CE2 TRP A 121 1.200 12.951 -3.496 1.00 11.34 C ATOM 558 CE3 TRP A 121 2.509 11.432 -4.842 1.00 12.12 C ATOM 559 CZ2 TRP A 121 1.542 14.033 -4.303 1.00 43.24 C ATOM 560 CZ3 TRP A 121 2.848 12.506 -5.642 1.00 52.32 C ATOM 561 CH2 TRP A 121 2.367 13.793 -5.369 1.00 13.55 C ATOM 0 H TRP A 121 1.613 6.910 -1.637 1.00 1.23 H new ATOM 0 HA TRP A 121 0.501 9.438 -0.605 1.00 42.14 H new ATOM 0 HB2 TRP A 121 2.405 9.133 -2.437 1.00 22.24 H new ATOM 0 HB3 TRP A 121 1.049 8.826 -3.505 1.00 22.24 H new ATOM 0 HD1 TRP A 121 -0.187 11.268 -1.059 1.00 65.52 H new ATOM 0 HE1 TRP A 121 -0.075 13.690 -1.958 1.00 33.31 H new ATOM 0 HE3 TRP A 121 2.887 10.444 -5.059 1.00 12.12 H new ATOM 0 HZ2 TRP A 121 1.170 15.025 -4.096 1.00 43.24 H new ATOM 0 HZ3 TRP A 121 3.495 12.351 -6.493 1.00 52.32 H new ATOM 0 HH2 TRP A 121 2.653 14.612 -6.012 1.00 13.55 H new ATOM 572 N CYS A 122 -1.820 9.163 -1.422 1.00 52.54 N ATOM 573 CA CYS A 122 -3.217 8.941 -1.777 1.00 10.11 C ATOM 574 C CYS A 122 -3.816 10.181 -2.433 1.00 12.24 C ATOM 575 O CYS A 122 -4.132 11.161 -1.758 1.00 71.25 O ATOM 576 CB CYS A 122 -4.027 8.564 -0.535 1.00 5.31 C ATOM 577 SG CYS A 122 -4.449 6.809 -0.433 1.00 11.33 S ATOM 0 H CYS A 122 -1.661 9.970 -0.819 1.00 52.54 H new ATOM 0 HA CYS A 122 -3.258 8.119 -2.492 1.00 10.11 H new ATOM 0 HB2 CYS A 122 -3.460 8.843 0.353 1.00 5.31 H new ATOM 0 HB3 CYS A 122 -4.947 9.149 -0.523 1.00 5.31 H new ATOM 0 HG CYS A 122 -4.277 6.391 0.786 1.00 11.33 H new ATOM 583 N ASN A 123 -3.968 10.131 -3.752 1.00 52.33 N ATOM 584 CA ASN A 123 -4.528 11.252 -4.499 1.00 63.34 C ATOM 585 C ASN A 123 -4.017 12.580 -3.952 1.00 3.05 C ATOM 586 O ASN A 123 -4.759 13.329 -3.319 1.00 14.13 O ATOM 587 CB ASN A 123 -6.057 11.217 -4.443 1.00 5.54 C ATOM 588 CG ASN A 123 -6.580 11.121 -3.023 1.00 34.33 C ATOM 589 OD1 ASN A 123 -6.731 9.898 -2.530 1.00 41.41 O flip ATOM 590 ND2 ASN A 123 -6.846 12.135 -2.377 1.00 62.03 N flip ATOM 0 H ASN A 123 -3.712 9.327 -4.326 1.00 52.33 H new ATOM 0 HA ASN A 123 -4.208 11.161 -5.537 1.00 63.34 H new ATOM 0 HB2 ASN A 123 -6.456 12.115 -4.915 1.00 5.54 H new ATOM 0 HB3 ASN A 123 -6.420 10.366 -5.020 1.00 5.54 H new ATOM 0 HD21 ASN A 123 -6.715 13.056 -2.796 1.00 62.03 H new ATOM 0 HD22 ASN A 123 -7.198 12.054 -1.423 1.00 62.03 H new ATOM 597 N GLY A 124 -2.742 12.867 -4.200 1.00 64.50 N ATOM 598 CA GLY A 124 -2.154 14.105 -3.725 1.00 4.14 C ATOM 599 C GLY A 124 -2.398 14.334 -2.246 1.00 55.31 C ATOM 600 O GLY A 124 -2.689 15.454 -1.826 1.00 73.31 O ATOM 0 H GLY A 124 -2.106 12.263 -4.722 1.00 64.50 H new ATOM 0 HA2 GLY A 124 -1.081 14.090 -3.915 1.00 4.14 H new ATOM 0 HA3 GLY A 124 -2.566 14.940 -4.291 1.00 4.14 H new ATOM 604 N GLN A 125 -2.284 13.270 -1.458 1.00 15.24 N ATOM 605 CA GLN A 125 -2.499 13.362 -0.018 1.00 63.31 C ATOM 606 C GLN A 125 -1.660 12.326 0.724 1.00 71.33 C ATOM 607 O GLN A 125 -1.894 11.123 0.608 1.00 63.42 O ATOM 608 CB GLN A 125 -3.980 13.167 0.312 1.00 44.11 C ATOM 609 CG GLN A 125 -4.558 14.269 1.184 1.00 73.33 C ATOM 610 CD GLN A 125 -5.919 13.912 1.750 1.00 24.42 C ATOM 611 OE1 GLN A 125 -6.209 12.743 2.008 1.00 5.24 O ATOM 612 NE2 GLN A 125 -6.761 14.919 1.946 1.00 34.52 N ATOM 0 H GLN A 125 -2.045 12.336 -1.791 1.00 15.24 H new ATOM 0 HA GLN A 125 -2.190 14.355 0.308 1.00 63.31 H new ATOM 0 HB2 GLN A 125 -4.547 13.115 -0.617 1.00 44.11 H new ATOM 0 HB3 GLN A 125 -4.108 12.210 0.818 1.00 44.11 H new ATOM 0 HG2 GLN A 125 -3.871 14.476 2.004 1.00 73.33 H new ATOM 0 HG3 GLN A 125 -4.641 15.185 0.598 1.00 73.33 H new ATOM 0 HE21 GLN A 125 -6.478 15.872 1.718 1.00 34.52 H new ATOM 0 HE22 GLN A 125 -7.691 14.740 2.325 1.00 34.52 H new ATOM 621 N LYS A 126 -0.680 12.801 1.487 1.00 53.14 N ATOM 622 CA LYS A 126 0.194 11.917 2.248 1.00 31.34 C ATOM 623 C LYS A 126 -0.620 10.971 3.126 1.00 2.21 C ATOM 624 O LYS A 126 -1.797 11.213 3.390 1.00 14.21 O ATOM 625 CB LYS A 126 1.152 12.737 3.115 1.00 35.43 C ATOM 626 CG LYS A 126 2.462 13.071 2.425 1.00 40.51 C ATOM 627 CD LYS A 126 3.231 14.145 3.177 1.00 32.03 C ATOM 628 CE LYS A 126 3.052 15.512 2.536 1.00 61.04 C ATOM 629 NZ LYS A 126 4.215 15.880 1.680 1.00 21.33 N ATOM 0 H LYS A 126 -0.472 13.794 1.594 1.00 53.14 H new ATOM 0 HA LYS A 126 0.772 11.321 1.541 1.00 31.34 H new ATOM 0 HB2 LYS A 126 0.659 13.664 3.409 1.00 35.43 H new ATOM 0 HB3 LYS A 126 1.364 12.184 4.030 1.00 35.43 H new ATOM 0 HG2 LYS A 126 3.073 12.172 2.348 1.00 40.51 H new ATOM 0 HG3 LYS A 126 2.263 13.410 1.408 1.00 40.51 H new ATOM 0 HD2 LYS A 126 2.891 14.180 4.212 1.00 32.03 H new ATOM 0 HD3 LYS A 126 4.290 13.888 3.198 1.00 32.03 H new ATOM 0 HE2 LYS A 126 2.143 15.515 1.934 1.00 61.04 H new ATOM 0 HE3 LYS A 126 2.922 16.264 3.314 1.00 61.04 H new ATOM 0 HZ1 LYS A 126 4.055 16.818 1.261 1.00 21.33 H new ATOM 0 HZ2 LYS A 126 5.079 15.902 2.259 1.00 21.33 H new ATOM 0 HZ3 LYS A 126 4.324 15.177 0.922 1.00 21.33 H new ATOM 643 N MET A 127 0.016 9.894 3.575 1.00 71.23 N ATOM 644 CA MET A 127 -0.649 8.914 4.425 1.00 35.43 C ATOM 645 C MET A 127 0.163 8.649 5.688 1.00 2.41 C ATOM 646 O MET A 127 1.349 8.973 5.753 1.00 72.42 O ATOM 647 CB MET A 127 -0.866 7.606 3.660 1.00 4.02 C ATOM 648 CG MET A 127 -1.860 7.729 2.517 1.00 64.53 C ATOM 649 SD MET A 127 -3.542 7.314 3.014 1.00 75.05 S ATOM 650 CE MET A 127 -3.341 5.603 3.502 1.00 23.32 C ATOM 0 H MET A 127 0.990 9.678 3.364 1.00 71.23 H new ATOM 0 HA MET A 127 -1.617 9.321 4.716 1.00 35.43 H new ATOM 0 HB2 MET A 127 0.090 7.263 3.264 1.00 4.02 H new ATOM 0 HB3 MET A 127 -1.216 6.842 4.354 1.00 4.02 H new ATOM 0 HG2 MET A 127 -1.840 8.748 2.131 1.00 64.53 H new ATOM 0 HG3 MET A 127 -1.554 7.073 1.702 1.00 64.53 H new ATOM 0 HE1 MET A 127 -3.982 4.971 2.887 1.00 23.32 H new ATOM 0 HE2 MET A 127 -2.301 5.306 3.367 1.00 23.32 H new ATOM 0 HE3 MET A 127 -3.618 5.489 4.550 1.00 23.32 H new ATOM 660 N GLU A 128 -0.482 8.059 6.690 1.00 52.14 N ATOM 661 CA GLU A 128 0.182 7.753 7.951 1.00 64.50 C ATOM 662 C GLU A 128 0.167 6.251 8.224 1.00 75.23 C ATOM 663 O GLU A 128 -0.869 5.681 8.568 1.00 42.24 O ATOM 664 CB GLU A 128 -0.495 8.498 9.104 1.00 64.35 C ATOM 665 CG GLU A 128 0.240 9.758 9.528 1.00 44.35 C ATOM 666 CD GLU A 128 -0.131 10.207 10.927 1.00 2.24 C ATOM 667 OE1 GLU A 128 -1.318 10.524 11.153 1.00 1.41 O ATOM 668 OE2 GLU A 128 0.765 10.242 11.797 1.00 52.04 O ATOM 0 H GLU A 128 -1.463 7.784 6.652 1.00 52.14 H new ATOM 0 HA GLU A 128 1.219 8.081 7.874 1.00 64.50 H new ATOM 0 HB2 GLU A 128 -1.511 8.762 8.809 1.00 64.35 H new ATOM 0 HB3 GLU A 128 -0.576 7.829 9.961 1.00 64.35 H new ATOM 0 HG2 GLU A 128 1.314 9.581 9.480 1.00 44.35 H new ATOM 0 HG3 GLU A 128 0.018 10.559 8.823 1.00 44.35 H new ATOM 675 N THR A 129 1.324 5.615 8.065 1.00 11.14 N ATOM 676 CA THR A 129 1.444 4.181 8.292 1.00 30.52 C ATOM 677 C THR A 129 1.940 3.887 9.703 1.00 34.51 C ATOM 678 O THR A 129 2.126 4.798 10.509 1.00 10.31 O ATOM 679 CB THR A 129 2.404 3.531 7.278 1.00 71.33 C ATOM 680 OG1 THR A 129 3.759 3.858 7.605 1.00 73.31 O ATOM 681 CG2 THR A 129 2.092 3.995 5.864 1.00 73.35 C ATOM 0 H THR A 129 2.191 6.071 7.780 1.00 11.14 H new ATOM 0 HA THR A 129 0.448 3.756 8.164 1.00 30.52 H new ATOM 0 HB THR A 129 2.271 2.450 7.327 1.00 71.33 H new ATOM 0 HG1 THR A 129 4.297 3.881 6.786 1.00 73.31 H new ATOM 0 HG21 THR A 129 2.783 3.523 5.165 1.00 73.35 H new ATOM 0 HG22 THR A 129 1.070 3.717 5.607 1.00 73.35 H new ATOM 0 HG23 THR A 129 2.200 5.078 5.804 1.00 73.35 H new ATOM 689 N ALA A 130 2.151 2.608 9.997 1.00 24.43 N ATOM 690 CA ALA A 130 2.628 2.194 11.311 1.00 42.20 C ATOM 691 C ALA A 130 4.152 2.179 11.362 1.00 33.51 C ATOM 692 O ALA A 130 4.751 2.482 12.393 1.00 25.41 O ATOM 693 CB ALA A 130 2.072 0.823 11.667 1.00 42.22 C ATOM 0 H ALA A 130 1.999 1.840 9.343 1.00 24.43 H new ATOM 0 HA ALA A 130 2.273 2.919 12.044 1.00 42.20 H new ATOM 0 HB1 ALA A 130 2.437 0.527 12.651 1.00 42.22 H new ATOM 0 HB2 ALA A 130 0.983 0.864 11.681 1.00 42.22 H new ATOM 0 HB3 ALA A 130 2.398 0.094 10.925 1.00 42.22 H new ATOM 699 N GLY A 131 4.774 1.823 10.242 1.00 20.42 N ATOM 700 CA GLY A 131 6.223 1.773 10.182 1.00 42.30 C ATOM 701 C GLY A 131 6.811 0.782 11.166 1.00 34.22 C ATOM 702 O GLY A 131 7.391 1.174 12.179 1.00 74.31 O ATOM 0 H GLY A 131 4.300 1.568 9.375 1.00 20.42 H new ATOM 0 HA2 GLY A 131 6.532 1.504 9.172 1.00 42.30 H new ATOM 0 HA3 GLY A 131 6.626 2.765 10.386 1.00 42.30 H new ATOM 706 N GLU A 132 6.659 -0.505 10.871 1.00 63.53 N ATOM 707 CA GLU A 132 7.178 -1.554 11.740 1.00 22.23 C ATOM 708 C GLU A 132 7.953 -2.594 10.935 1.00 5.14 C ATOM 709 O GLU A 132 7.429 -3.179 9.987 1.00 14.43 O ATOM 710 CB GLU A 132 6.034 -2.230 12.499 1.00 1.52 C ATOM 711 CG GLU A 132 5.820 -1.674 13.898 1.00 43.22 C ATOM 712 CD GLU A 132 5.095 -2.647 14.807 1.00 51.43 C ATOM 713 OE1 GLU A 132 3.847 -2.673 14.774 1.00 31.23 O ATOM 714 OE2 GLU A 132 5.777 -3.383 15.552 1.00 14.22 O ATOM 0 H GLU A 132 6.181 -0.846 10.037 1.00 63.53 H new ATOM 0 HA GLU A 132 7.858 -1.093 12.456 1.00 22.23 H new ATOM 0 HB2 GLU A 132 5.113 -2.117 11.927 1.00 1.52 H new ATOM 0 HB3 GLU A 132 6.237 -3.299 12.569 1.00 1.52 H new ATOM 0 HG2 GLU A 132 6.786 -1.423 14.337 1.00 43.22 H new ATOM 0 HG3 GLU A 132 5.249 -0.748 13.834 1.00 43.22 H new ATOM 781 N GLY A 137 10.749 -8.393 6.611 1.00 2.42 N ATOM 782 CA GLY A 137 9.717 -7.758 5.814 1.00 1.45 C ATOM 783 C GLY A 137 9.223 -6.464 6.431 1.00 3.41 C ATOM 784 O GLY A 137 9.704 -6.044 7.484 1.00 31.44 O ATOM 0 HA2 GLY A 137 10.106 -7.556 4.816 1.00 1.45 H new ATOM 0 HA3 GLY A 137 8.879 -8.445 5.697 1.00 1.45 H new ATOM 788 N THR A 138 8.260 -5.826 5.772 1.00 50.14 N ATOM 789 CA THR A 138 7.702 -4.571 6.259 1.00 2.45 C ATOM 790 C THR A 138 6.181 -4.570 6.162 1.00 20.13 C ATOM 791 O THR A 138 5.617 -4.901 5.120 1.00 50.50 O ATOM 792 CB THR A 138 8.256 -3.367 5.474 1.00 53.33 C ATOM 793 OG1 THR A 138 9.296 -3.797 4.587 1.00 34.22 O ATOM 794 CG2 THR A 138 8.796 -2.304 6.419 1.00 64.33 C ATOM 0 H THR A 138 7.850 -6.159 4.899 1.00 50.14 H new ATOM 0 HA THR A 138 7.996 -4.480 7.305 1.00 2.45 H new ATOM 0 HB THR A 138 7.440 -2.934 4.895 1.00 53.33 H new ATOM 0 HG1 THR A 138 9.642 -3.026 4.090 1.00 34.22 H new ATOM 0 HG21 THR A 138 9.181 -1.465 5.840 1.00 64.33 H new ATOM 0 HG22 THR A 138 7.995 -1.957 7.072 1.00 64.33 H new ATOM 0 HG23 THR A 138 9.599 -2.728 7.022 1.00 64.33 H new ATOM 802 N GLU A 139 5.524 -4.196 7.256 1.00 53.12 N ATOM 803 CA GLU A 139 4.066 -4.153 7.292 1.00 42.04 C ATOM 804 C GLU A 139 3.569 -2.726 7.502 1.00 50.20 C ATOM 805 O GLU A 139 3.494 -2.241 8.632 1.00 24.33 O ATOM 806 CB GLU A 139 3.535 -5.060 8.405 1.00 54.24 C ATOM 807 CG GLU A 139 4.237 -6.405 8.481 1.00 32.25 C ATOM 808 CD GLU A 139 3.725 -7.266 9.620 1.00 61.32 C ATOM 809 OE1 GLU A 139 3.368 -6.704 10.675 1.00 14.14 O ATOM 810 OE2 GLU A 139 3.681 -8.503 9.453 1.00 50.11 O ATOM 0 H GLU A 139 5.977 -3.919 8.127 1.00 53.12 H new ATOM 0 HA GLU A 139 3.693 -4.511 6.332 1.00 42.04 H new ATOM 0 HB2 GLU A 139 3.643 -4.549 9.361 1.00 54.24 H new ATOM 0 HB3 GLU A 139 2.469 -5.224 8.250 1.00 54.24 H new ATOM 0 HG2 GLU A 139 4.100 -6.936 7.539 1.00 32.25 H new ATOM 0 HG3 GLU A 139 5.308 -6.245 8.604 1.00 32.25 H new ATOM 817 N THR A 140 3.229 -2.056 6.405 1.00 65.53 N ATOM 818 CA THR A 140 2.741 -0.684 6.468 1.00 70.14 C ATOM 819 C THR A 140 1.246 -0.646 6.765 1.00 50.13 C ATOM 820 O THR A 140 0.426 -1.020 5.925 1.00 44.42 O ATOM 821 CB THR A 140 3.011 0.068 5.152 1.00 12.20 C ATOM 822 OG1 THR A 140 3.598 -0.818 4.192 1.00 15.51 O ATOM 823 CG2 THR A 140 3.935 1.254 5.387 1.00 50.33 C ATOM 0 H THR A 140 3.283 -2.442 5.462 1.00 65.53 H new ATOM 0 HA THR A 140 3.282 -0.192 7.276 1.00 70.14 H new ATOM 0 HB THR A 140 2.060 0.438 4.769 1.00 12.20 H new ATOM 0 HG1 THR A 140 3.765 -0.332 3.357 1.00 15.51 H new ATOM 0 HG21 THR A 140 4.112 1.770 4.443 1.00 50.33 H new ATOM 0 HG22 THR A 140 3.472 1.941 6.095 1.00 50.33 H new ATOM 0 HG23 THR A 140 4.884 0.901 5.791 1.00 50.33 H new ATOM 831 N HIS A 141 0.897 -0.192 7.964 1.00 54.54 N ATOM 832 CA HIS A 141 -0.501 -0.103 8.371 1.00 51.13 C ATOM 833 C HIS A 141 -0.954 1.353 8.448 1.00 62.34 C ATOM 834 O HIS A 141 -0.571 2.084 9.362 1.00 42.01 O ATOM 835 CB HIS A 141 -0.705 -0.785 9.723 1.00 22.01 C ATOM 836 CG HIS A 141 -0.113 -2.159 9.796 1.00 30.25 C ATOM 837 ND1 HIS A 141 -0.737 -3.275 9.281 1.00 64.11 N ATOM 838 CD2 HIS A 141 1.054 -2.593 10.327 1.00 61.22 C ATOM 839 CE1 HIS A 141 0.020 -4.337 9.493 1.00 21.00 C ATOM 840 NE2 HIS A 141 1.112 -3.950 10.126 1.00 64.32 N ATOM 0 H HIS A 141 1.563 0.120 8.671 1.00 54.54 H new ATOM 0 HA HIS A 141 -1.105 -0.613 7.621 1.00 51.13 H new ATOM 0 HB2 HIS A 141 -0.263 -0.166 10.503 1.00 22.01 H new ATOM 0 HB3 HIS A 141 -1.773 -0.847 9.932 1.00 22.01 H new ATOM 0 HD1 HIS A 141 -1.642 -3.280 8.810 1.00 64.11 H new ATOM 0 HD2 HIS A 141 1.800 -1.985 10.817 1.00 61.22 H new ATOM 0 HE1 HIS A 141 -0.215 -5.349 9.199 1.00 21.00 H new ATOM 848 N PHE A 142 -1.768 1.766 7.484 1.00 53.22 N ATOM 849 CA PHE A 142 -2.272 3.134 7.441 1.00 64.20 C ATOM 850 C PHE A 142 -3.795 3.156 7.517 1.00 62.24 C ATOM 851 O PHE A 142 -4.435 2.115 7.672 1.00 13.33 O ATOM 852 CB PHE A 142 -1.802 3.833 6.164 1.00 12.11 C ATOM 853 CG PHE A 142 -1.948 2.989 4.930 1.00 24.00 C ATOM 854 CD1 PHE A 142 -3.199 2.578 4.499 1.00 53.22 C ATOM 855 CD2 PHE A 142 -0.834 2.605 4.201 1.00 4.34 C ATOM 856 CE1 PHE A 142 -3.335 1.801 3.365 1.00 20.31 C ATOM 857 CE2 PHE A 142 -0.963 1.827 3.066 1.00 14.12 C ATOM 858 CZ PHE A 142 -2.217 1.426 2.646 1.00 25.33 C ATOM 0 H PHE A 142 -2.094 1.173 6.721 1.00 53.22 H new ATOM 0 HA PHE A 142 -1.876 3.668 8.305 1.00 64.20 H new ATOM 0 HB2 PHE A 142 -2.370 4.754 6.034 1.00 12.11 H new ATOM 0 HB3 PHE A 142 -0.756 4.117 6.279 1.00 12.11 H new ATOM 0 HD1 PHE A 142 -4.078 2.868 5.056 1.00 53.22 H new ATOM 0 HD2 PHE A 142 0.148 2.918 4.524 1.00 4.34 H new ATOM 0 HE1 PHE A 142 -4.316 1.487 3.041 1.00 20.31 H new ATOM 0 HE2 PHE A 142 -0.086 1.533 2.509 1.00 14.12 H new ATOM 0 HZ PHE A 142 -2.323 0.821 1.758 1.00 25.33 H new ATOM 868 N SER A 143 -4.370 4.349 7.406 1.00 2.01 N ATOM 869 CA SER A 143 -5.818 4.508 7.466 1.00 12.51 C ATOM 870 C SER A 143 -6.293 5.543 6.450 1.00 61.42 C ATOM 871 O SER A 143 -5.497 6.310 5.909 1.00 24.21 O ATOM 872 CB SER A 143 -6.249 4.925 8.873 1.00 4.14 C ATOM 873 OG SER A 143 -5.507 6.045 9.324 1.00 54.14 O ATOM 0 H SER A 143 -3.855 5.220 7.274 1.00 2.01 H new ATOM 0 HA SER A 143 -6.274 3.548 7.223 1.00 12.51 H new ATOM 0 HB2 SER A 143 -7.312 5.165 8.875 1.00 4.14 H new ATOM 0 HB3 SER A 143 -6.109 4.091 9.561 1.00 4.14 H new ATOM 0 HG SER A 143 -5.803 6.292 10.225 1.00 54.14 H new ATOM 879 N VAL A 144 -7.598 5.557 6.196 1.00 53.15 N ATOM 880 CA VAL A 144 -8.181 6.497 5.245 1.00 10.34 C ATOM 881 C VAL A 144 -9.604 6.870 5.645 1.00 31.14 C ATOM 882 O VAL A 144 -10.551 6.136 5.366 1.00 15.13 O ATOM 883 CB VAL A 144 -8.196 5.917 3.819 1.00 42.12 C ATOM 884 CG1 VAL A 144 -8.791 6.919 2.841 1.00 22.32 C ATOM 885 CG2 VAL A 144 -6.792 5.514 3.394 1.00 41.32 C ATOM 0 H VAL A 144 -8.271 4.929 6.635 1.00 53.15 H new ATOM 0 HA VAL A 144 -7.556 7.390 5.259 1.00 10.34 H new ATOM 0 HB VAL A 144 -8.823 5.025 3.814 1.00 42.12 H new ATOM 0 HG11 VAL A 144 -8.793 6.491 1.838 1.00 22.32 H new ATOM 0 HG12 VAL A 144 -9.813 7.154 3.138 1.00 22.32 H new ATOM 0 HG13 VAL A 144 -8.193 7.831 2.845 1.00 22.32 H new ATOM 0 HG21 VAL A 144 -6.821 5.106 2.384 1.00 41.32 H new ATOM 0 HG22 VAL A 144 -6.141 6.388 3.414 1.00 41.32 H new ATOM 0 HG23 VAL A 144 -6.407 4.759 4.079 1.00 41.32 H new ATOM 895 N GLY A 145 -9.748 8.018 6.301 1.00 31.40 N ATOM 896 CA GLY A 145 -11.059 8.469 6.729 1.00 61.22 C ATOM 897 C GLY A 145 -11.717 7.506 7.697 1.00 75.30 C ATOM 898 O GLY A 145 -11.305 7.396 8.851 1.00 55.54 O ATOM 0 H GLY A 145 -8.980 8.643 6.543 1.00 31.40 H new ATOM 0 HA2 GLY A 145 -10.967 9.447 7.201 1.00 61.22 H new ATOM 0 HA3 GLY A 145 -11.699 8.595 5.856 1.00 61.22 H new ATOM 902 N ASN A 146 -12.744 6.805 7.225 1.00 3.24 N ATOM 903 CA ASN A 146 -13.462 5.847 8.058 1.00 11.21 C ATOM 904 C ASN A 146 -13.111 4.415 7.667 1.00 42.42 C ATOM 905 O ASN A 146 -13.184 3.500 8.487 1.00 20.32 O ATOM 906 CB ASN A 146 -14.972 6.066 7.937 1.00 23.41 C ATOM 907 CG ASN A 146 -15.766 5.101 8.797 1.00 22.12 C ATOM 908 OD1 ASN A 146 -16.354 4.143 8.294 1.00 12.42 O ATOM 909 ND2 ASN A 146 -15.786 5.350 10.101 1.00 14.42 N ATOM 0 H ASN A 146 -13.097 6.883 6.271 1.00 3.24 H new ATOM 0 HA ASN A 146 -13.160 6.006 9.093 1.00 11.21 H new ATOM 0 HB2 ASN A 146 -15.213 7.089 8.226 1.00 23.41 H new ATOM 0 HB3 ASN A 146 -15.271 5.951 6.895 1.00 23.41 H new ATOM 0 HD21 ASN A 146 -16.303 4.736 10.730 1.00 14.42 H new ATOM 0 HD22 ASN A 146 -15.284 6.156 10.474 1.00 14.42 H new ATOM 916 N HIS A 147 -12.729 4.229 6.407 1.00 35.10 N ATOM 917 CA HIS A 147 -12.365 2.908 5.906 1.00 10.22 C ATOM 918 C HIS A 147 -11.121 2.382 6.615 1.00 63.41 C ATOM 919 O HIS A 147 -10.665 2.961 7.601 1.00 10.21 O ATOM 920 CB HIS A 147 -12.122 2.961 4.397 1.00 74.21 C ATOM 921 CG HIS A 147 -13.256 3.568 3.629 1.00 73.11 C ATOM 922 ND1 HIS A 147 -14.566 3.162 3.775 1.00 12.20 N ATOM 923 CD2 HIS A 147 -13.271 4.557 2.706 1.00 2.42 C ATOM 924 CE1 HIS A 147 -15.337 3.874 2.973 1.00 10.44 C ATOM 925 NE2 HIS A 147 -14.575 4.729 2.314 1.00 41.03 N ATOM 0 H HIS A 147 -12.664 4.976 5.715 1.00 35.10 H new ATOM 0 HA HIS A 147 -13.193 2.228 6.110 1.00 10.22 H new ATOM 0 HB2 HIS A 147 -11.215 3.534 4.203 1.00 74.21 H new ATOM 0 HB3 HIS A 147 -11.945 1.950 4.030 1.00 74.21 H new ATOM 0 HD2 HIS A 147 -12.416 5.109 2.345 1.00 2.42 H new ATOM 0 HE1 HIS A 147 -16.408 3.774 2.873 1.00 10.44 H new ATOM 0 HE2 HIS A 147 -14.903 5.407 1.626 1.00 41.03 H new ATOM 933 N ASP A 148 -10.577 1.282 6.106 1.00 20.54 N ATOM 934 CA ASP A 148 -9.386 0.677 6.691 1.00 5.43 C ATOM 935 C ASP A 148 -8.606 -0.110 5.643 1.00 71.40 C ATOM 936 O ASP A 148 -9.102 -1.096 5.096 1.00 34.45 O ATOM 937 CB ASP A 148 -9.769 -0.238 7.854 1.00 72.20 C ATOM 938 CG ASP A 148 -8.661 -0.368 8.880 1.00 55.32 C ATOM 939 OD1 ASP A 148 -8.239 0.671 9.432 1.00 30.31 O ATOM 940 OD2 ASP A 148 -8.215 -1.506 9.131 1.00 35.24 O ATOM 0 H ASP A 148 -10.942 0.791 5.290 1.00 20.54 H new ATOM 0 HA ASP A 148 -8.749 1.478 7.066 1.00 5.43 H new ATOM 0 HB2 ASP A 148 -10.664 0.151 8.339 1.00 72.20 H new ATOM 0 HB3 ASP A 148 -10.020 -1.226 7.467 1.00 72.20 H new ATOM 945 N CYS A 149 -7.384 0.331 5.366 1.00 5.22 N ATOM 946 CA CYS A 149 -6.537 -0.331 4.381 1.00 24.01 C ATOM 947 C CYS A 149 -5.077 -0.327 4.828 1.00 14.55 C ATOM 948 O CYS A 149 -4.694 0.432 5.719 1.00 1.13 O ATOM 949 CB CYS A 149 -6.668 0.353 3.021 1.00 51.33 C ATOM 950 SG CYS A 149 -6.998 2.128 3.116 1.00 13.31 S ATOM 0 H CYS A 149 -6.958 1.144 5.810 1.00 5.22 H new ATOM 0 HA CYS A 149 -6.868 -1.366 4.291 1.00 24.01 H new ATOM 0 HB2 CYS A 149 -5.749 0.195 2.457 1.00 51.33 H new ATOM 0 HB3 CYS A 149 -7.472 -0.126 2.462 1.00 51.33 H new ATOM 0 HG CYS A 149 -5.878 2.770 3.266 1.00 13.31 H new ATOM 956 N TYR A 150 -4.271 -1.177 4.204 1.00 3.02 N ATOM 957 CA TYR A 150 -2.855 -1.273 4.541 1.00 50.14 C ATOM 958 C TYR A 150 -2.073 -1.946 3.417 1.00 51.54 C ATOM 959 O TYR A 150 -2.620 -2.746 2.656 1.00 24.25 O ATOM 960 CB TYR A 150 -2.671 -2.054 5.842 1.00 4.15 C ATOM 961 CG TYR A 150 -2.884 -3.543 5.691 1.00 23.40 C ATOM 962 CD1 TYR A 150 -4.161 -4.089 5.720 1.00 51.13 C ATOM 963 CD2 TYR A 150 -1.807 -4.405 5.520 1.00 51.53 C ATOM 964 CE1 TYR A 150 -4.359 -5.449 5.583 1.00 73.12 C ATOM 965 CE2 TYR A 150 -1.996 -5.766 5.380 1.00 71.44 C ATOM 966 CZ TYR A 150 -3.274 -6.283 5.413 1.00 62.40 C ATOM 967 OH TYR A 150 -3.468 -7.639 5.274 1.00 23.14 O ATOM 0 H TYR A 150 -4.573 -1.809 3.463 1.00 3.02 H new ATOM 0 HA TYR A 150 -2.470 -0.262 4.674 1.00 50.14 H new ATOM 0 HB2 TYR A 150 -1.665 -1.876 6.223 1.00 4.15 H new ATOM 0 HB3 TYR A 150 -3.367 -1.670 6.588 1.00 4.15 H new ATOM 0 HD1 TYR A 150 -5.013 -3.439 5.852 1.00 51.13 H new ATOM 0 HD2 TYR A 150 -0.805 -4.003 5.496 1.00 51.53 H new ATOM 0 HE1 TYR A 150 -5.359 -5.857 5.609 1.00 73.12 H new ATOM 0 HE2 TYR A 150 -1.148 -6.421 5.246 1.00 71.44 H new ATOM 0 HH TYR A 150 -4.337 -7.804 4.851 1.00 23.14 H new ATOM 977 N ILE A 151 -0.790 -1.615 3.317 1.00 73.01 N ATOM 978 CA ILE A 151 0.068 -2.188 2.288 1.00 45.13 C ATOM 979 C ILE A 151 0.909 -3.331 2.846 1.00 42.30 C ATOM 980 O ILE A 151 1.679 -3.147 3.789 1.00 5.25 O ATOM 981 CB ILE A 151 1.005 -1.126 1.681 1.00 51.42 C ATOM 982 CG1 ILE A 151 0.264 -0.307 0.623 1.00 12.40 C ATOM 983 CG2 ILE A 151 2.237 -1.786 1.081 1.00 62.41 C ATOM 984 CD1 ILE A 151 0.991 0.957 0.219 1.00 71.12 C ATOM 0 H ILE A 151 -0.322 -0.953 3.936 1.00 73.01 H new ATOM 0 HA ILE A 151 -0.589 -2.571 1.507 1.00 45.13 H new ATOM 0 HB ILE A 151 1.329 -0.452 2.474 1.00 51.42 H new ATOM 0 HG12 ILE A 151 0.109 -0.926 -0.261 1.00 12.40 H new ATOM 0 HG13 ILE A 151 -0.722 -0.043 1.004 1.00 12.40 H new ATOM 0 HG21 ILE A 151 2.889 -1.022 0.656 1.00 62.41 H new ATOM 0 HG22 ILE A 151 2.774 -2.330 1.859 1.00 62.41 H new ATOM 0 HG23 ILE A 151 1.933 -2.480 0.297 1.00 62.41 H new ATOM 0 HD11 ILE A 151 0.408 1.487 -0.534 1.00 71.12 H new ATOM 0 HD12 ILE A 151 1.123 1.596 1.092 1.00 71.12 H new ATOM 0 HD13 ILE A 151 1.967 0.700 -0.193 1.00 71.12 H new ATOM 996 N LYS A 152 0.758 -4.512 2.257 1.00 44.14 N ATOM 997 CA LYS A 152 1.505 -5.686 2.692 1.00 51.31 C ATOM 998 C LYS A 152 2.827 -5.800 1.939 1.00 72.45 C ATOM 999 O LYS A 152 2.859 -6.222 0.783 1.00 4.31 O ATOM 1000 CB LYS A 152 0.673 -6.953 2.479 1.00 5.41 C ATOM 1001 CG LYS A 152 0.578 -7.833 3.713 1.00 11.44 C ATOM 1002 CD LYS A 152 -0.708 -8.642 3.723 1.00 44.14 C ATOM 1003 CE LYS A 152 -0.721 -9.654 4.858 1.00 51.12 C ATOM 1004 NZ LYS A 152 0.170 -10.813 4.578 1.00 61.31 N ATOM 0 H LYS A 152 0.124 -4.682 1.476 1.00 44.14 H new ATOM 0 HA LYS A 152 1.721 -5.575 3.755 1.00 51.31 H new ATOM 0 HB2 LYS A 152 -0.332 -6.669 2.167 1.00 5.41 H new ATOM 0 HB3 LYS A 152 1.109 -7.531 1.664 1.00 5.41 H new ATOM 0 HG2 LYS A 152 1.434 -8.508 3.747 1.00 11.44 H new ATOM 0 HG3 LYS A 152 0.626 -7.213 4.608 1.00 11.44 H new ATOM 0 HD2 LYS A 152 -1.561 -7.970 3.823 1.00 44.14 H new ATOM 0 HD3 LYS A 152 -0.820 -9.160 2.771 1.00 44.14 H new ATOM 0 HE2 LYS A 152 -0.405 -9.168 5.781 1.00 51.12 H new ATOM 0 HE3 LYS A 152 -1.739 -10.009 5.016 1.00 51.12 H new ATOM 0 HZ1 LYS A 152 0.056 -11.527 5.326 1.00 61.31 H new ATOM 0 HZ2 LYS A 152 -0.082 -11.231 3.659 1.00 61.31 H new ATOM 0 HZ3 LYS A 152 1.159 -10.492 4.553 1.00 61.31 H new ATOM 1018 N ALA A 153 3.915 -5.423 2.602 1.00 0.22 N ATOM 1019 CA ALA A 153 5.239 -5.486 1.996 1.00 60.10 C ATOM 1020 C ALA A 153 5.992 -6.732 2.452 1.00 43.45 C ATOM 1021 O ALA A 153 5.824 -7.193 3.581 1.00 72.21 O ATOM 1022 CB ALA A 153 6.034 -4.233 2.333 1.00 64.52 C ATOM 0 H ALA A 153 3.906 -5.071 3.559 1.00 0.22 H new ATOM 0 HA ALA A 153 5.115 -5.544 0.915 1.00 60.10 H new ATOM 0 HB1 ALA A 153 7.021 -4.294 1.874 1.00 64.52 H new ATOM 0 HB2 ALA A 153 5.510 -3.356 1.952 1.00 64.52 H new ATOM 0 HB3 ALA A 153 6.142 -4.150 3.415 1.00 64.52 H new ATOM 1028 N VAL A 154 6.824 -7.272 1.566 1.00 33.20 N ATOM 1029 CA VAL A 154 7.602 -8.465 1.878 1.00 44.53 C ATOM 1030 C VAL A 154 8.969 -8.419 1.204 1.00 20.02 C ATOM 1031 O VAL A 154 9.076 -8.145 0.009 1.00 33.02 O ATOM 1032 CB VAL A 154 6.869 -9.746 1.438 1.00 12.53 C ATOM 1033 CG1 VAL A 154 7.601 -10.980 1.940 1.00 20.55 C ATOM 1034 CG2 VAL A 154 5.430 -9.730 1.933 1.00 71.43 C ATOM 0 H VAL A 154 6.976 -6.902 0.628 1.00 33.20 H new ATOM 0 HA VAL A 154 7.732 -8.484 2.960 1.00 44.53 H new ATOM 0 HB VAL A 154 6.855 -9.781 0.349 1.00 12.53 H new ATOM 0 HG11 VAL A 154 7.068 -11.875 1.619 1.00 20.55 H new ATOM 0 HG12 VAL A 154 8.612 -10.994 1.533 1.00 20.55 H new ATOM 0 HG13 VAL A 154 7.649 -10.957 3.029 1.00 20.55 H new ATOM 0 HG21 VAL A 154 4.925 -10.642 1.614 1.00 71.43 H new ATOM 0 HG22 VAL A 154 5.420 -9.672 3.021 1.00 71.43 H new ATOM 0 HG23 VAL A 154 4.912 -8.865 1.519 1.00 71.43 H new ATOM 1044 N SER A 155 10.015 -8.690 1.980 1.00 14.24 N ATOM 1045 CA SER A 155 11.377 -8.677 1.459 1.00 13.44 C ATOM 1046 C SER A 155 11.878 -10.097 1.215 1.00 31.22 C ATOM 1047 O SER A 155 11.540 -11.022 1.953 1.00 1.22 O ATOM 1048 CB SER A 155 12.310 -7.954 2.432 1.00 2.24 C ATOM 1049 OG SER A 155 13.014 -8.878 3.246 1.00 52.05 O ATOM 0 H SER A 155 9.945 -8.921 2.971 1.00 14.24 H new ATOM 0 HA SER A 155 11.372 -8.144 0.508 1.00 13.44 H new ATOM 0 HB2 SER A 155 13.019 -7.342 1.874 1.00 2.24 H new ATOM 0 HB3 SER A 155 11.731 -7.278 3.061 1.00 2.24 H new ATOM 0 HG SER A 155 13.605 -8.391 3.858 1.00 52.05 H new ATOM 1055 N SER A 156 12.688 -10.260 0.174 1.00 31.03 N ATOM 1056 CA SER A 156 13.234 -11.567 -0.171 1.00 62.12 C ATOM 1057 C SER A 156 14.595 -11.427 -0.849 1.00 11.44 C ATOM 1058 O SER A 156 14.978 -10.338 -1.275 1.00 71.04 O ATOM 1059 CB SER A 156 12.271 -12.320 -1.090 1.00 1.21 C ATOM 1060 OG SER A 156 11.619 -11.433 -1.983 1.00 64.31 O ATOM 0 H SER A 156 12.980 -9.504 -0.445 1.00 31.03 H new ATOM 0 HA SER A 156 13.363 -12.133 0.752 1.00 62.12 H new ATOM 0 HB2 SER A 156 12.818 -13.074 -1.656 1.00 1.21 H new ATOM 0 HB3 SER A 156 11.529 -12.848 -0.491 1.00 1.21 H new ATOM 0 HG SER A 156 11.010 -11.939 -2.561 1.00 64.31 H new ATOM 1066 N GLY A 157 15.321 -12.537 -0.942 1.00 13.31 N ATOM 1067 CA GLY A 157 16.630 -12.516 -1.567 1.00 71.25 C ATOM 1068 C GLY A 157 17.749 -12.775 -0.578 1.00 70.10 C ATOM 1069 O GLY A 157 18.616 -13.617 -0.815 1.00 54.35 O ATOM 0 H GLY A 157 15.026 -13.450 -0.596 1.00 13.31 H new ATOM 0 HA2 GLY A 157 16.665 -13.268 -2.355 1.00 71.25 H new ATOM 0 HA3 GLY A 157 16.787 -11.548 -2.043 1.00 71.25 H new ATOM 1073 N LYS A 158 17.733 -12.049 0.534 1.00 21.11 N ATOM 1074 CA LYS A 158 18.754 -12.203 1.564 1.00 13.35 C ATOM 1075 C LYS A 158 18.479 -11.278 2.745 1.00 43.50 C ATOM 1076 O LYS A 158 18.211 -11.736 3.855 1.00 23.35 O ATOM 1077 CB LYS A 158 20.140 -11.910 0.985 1.00 63.41 C ATOM 1078 CG LYS A 158 21.118 -13.063 1.137 1.00 3.13 C ATOM 1079 CD LYS A 158 22.099 -13.118 -0.022 1.00 53.35 C ATOM 1080 CE LYS A 158 23.320 -13.958 0.321 1.00 61.43 C ATOM 1081 NZ LYS A 158 24.359 -13.162 1.029 1.00 32.24 N ATOM 0 H LYS A 158 17.024 -11.347 0.746 1.00 21.11 H new ATOM 0 HA LYS A 158 18.725 -13.234 1.918 1.00 13.35 H new ATOM 0 HB2 LYS A 158 20.039 -11.667 -0.073 1.00 63.41 H new ATOM 0 HB3 LYS A 158 20.551 -11.028 1.477 1.00 63.41 H new ATOM 0 HG2 LYS A 158 21.665 -12.956 2.073 1.00 3.13 H new ATOM 0 HG3 LYS A 158 20.568 -14.002 1.195 1.00 3.13 H new ATOM 0 HD2 LYS A 158 21.604 -13.534 -0.899 1.00 53.35 H new ATOM 0 HD3 LYS A 158 22.413 -12.107 -0.283 1.00 53.35 H new ATOM 0 HE2 LYS A 158 23.019 -14.799 0.946 1.00 61.43 H new ATOM 0 HE3 LYS A 158 23.742 -14.375 -0.593 1.00 61.43 H new ATOM 0 HZ1 LYS A 158 25.175 -13.770 1.245 1.00 32.24 H new ATOM 0 HZ2 LYS A 158 24.665 -12.374 0.423 1.00 32.24 H new ATOM 0 HZ3 LYS A 158 23.964 -12.785 1.914 1.00 32.24 H new ATOM 1095 N ARG A 159 18.547 -9.974 2.498 1.00 13.32 N ATOM 1096 CA ARG A 159 18.305 -8.984 3.541 1.00 75.42 C ATOM 1097 C ARG A 159 17.572 -7.770 2.979 1.00 75.11 C ATOM 1098 O ARG A 159 16.641 -7.252 3.597 1.00 50.51 O ATOM 1099 CB ARG A 159 19.627 -8.546 4.175 1.00 72.30 C ATOM 1100 CG ARG A 159 19.672 -8.736 5.682 1.00 73.43 C ATOM 1101 CD ARG A 159 20.466 -7.631 6.360 1.00 72.05 C ATOM 1102 NE ARG A 159 20.204 -7.569 7.795 1.00 71.02 N ATOM 1103 CZ ARG A 159 19.127 -6.998 8.322 1.00 15.32 C ATOM 1104 NH1 ARG A 159 18.216 -6.442 7.535 1.00 10.03 N ATOM 1105 NH2 ARG A 159 18.958 -6.982 9.638 1.00 44.34 N ATOM 0 H ARG A 159 18.768 -9.578 1.584 1.00 13.32 H new ATOM 0 HA ARG A 159 17.678 -9.444 4.305 1.00 75.42 H new ATOM 0 HB2 ARG A 159 20.442 -9.110 3.722 1.00 72.30 H new ATOM 0 HB3 ARG A 159 19.800 -7.495 3.944 1.00 72.30 H new ATOM 0 HG2 ARG A 159 18.657 -8.751 6.078 1.00 73.43 H new ATOM 0 HG3 ARG A 159 20.120 -9.702 5.915 1.00 73.43 H new ATOM 0 HD2 ARG A 159 21.531 -7.795 6.193 1.00 72.05 H new ATOM 0 HD3 ARG A 159 20.216 -6.673 5.904 1.00 72.05 H new ATOM 0 HE ARG A 159 20.886 -7.987 8.428 1.00 71.02 H new ATOM 0 HH11 ARG A 159 18.342 -6.452 6.523 1.00 10.03 H new ATOM 0 HH12 ARG A 159 17.390 -6.004 7.942 1.00 10.03 H new ATOM 0 HH21 ARG A 159 19.656 -7.409 10.247 1.00 44.34 H new ATOM 0 HH22 ARG A 159 18.130 -6.543 10.041 1.00 44.34 H new ATOM 1119 N LYS A 160 17.997 -7.320 1.803 1.00 0.15 N ATOM 1120 CA LYS A 160 17.382 -6.166 1.157 1.00 31.41 C ATOM 1121 C LYS A 160 17.516 -6.258 -0.360 1.00 3.53 C ATOM 1122 O LYS A 160 17.528 -5.240 -1.053 1.00 24.31 O ATOM 1123 CB LYS A 160 18.023 -4.871 1.659 1.00 14.01 C ATOM 1124 CG LYS A 160 17.136 -3.649 1.492 1.00 63.41 C ATOM 1125 CD LYS A 160 17.947 -2.420 1.116 1.00 20.40 C ATOM 1126 CE LYS A 160 18.804 -1.940 2.277 1.00 13.32 C ATOM 1127 NZ LYS A 160 20.258 -2.051 1.977 1.00 53.51 N ATOM 0 H LYS A 160 18.765 -7.737 1.278 1.00 0.15 H new ATOM 0 HA LYS A 160 16.322 -6.160 1.412 1.00 31.41 H new ATOM 0 HB2 LYS A 160 18.275 -4.985 2.713 1.00 14.01 H new ATOM 0 HB3 LYS A 160 18.958 -4.707 1.123 1.00 14.01 H new ATOM 0 HG2 LYS A 160 16.389 -3.843 0.722 1.00 63.41 H new ATOM 0 HG3 LYS A 160 16.596 -3.460 2.420 1.00 63.41 H new ATOM 0 HD2 LYS A 160 18.585 -2.651 0.263 1.00 20.40 H new ATOM 0 HD3 LYS A 160 17.275 -1.621 0.804 1.00 20.40 H new ATOM 0 HE2 LYS A 160 18.559 -0.903 2.505 1.00 13.32 H new ATOM 0 HE3 LYS A 160 18.571 -2.525 3.166 1.00 13.32 H new ATOM 0 HZ1 LYS A 160 20.808 -1.714 2.793 1.00 53.51 H new ATOM 0 HZ2 LYS A 160 20.498 -3.044 1.784 1.00 53.51 H new ATOM 0 HZ3 LYS A 160 20.486 -1.472 1.144 1.00 53.51 H new ATOM 1141 N GLU A 161 17.615 -7.482 -0.869 1.00 34.12 N ATOM 1142 CA GLU A 161 17.747 -7.704 -2.304 1.00 24.43 C ATOM 1143 C GLU A 161 16.517 -7.195 -3.048 1.00 53.52 C ATOM 1144 O GLU A 161 16.574 -6.179 -3.742 1.00 60.11 O ATOM 1145 CB GLU A 161 17.953 -9.192 -2.595 1.00 4.11 C ATOM 1146 CG GLU A 161 19.392 -9.553 -2.927 1.00 71.53 C ATOM 1147 CD GLU A 161 19.700 -9.422 -4.406 1.00 62.30 C ATOM 1148 OE1 GLU A 161 19.315 -10.329 -5.173 1.00 54.44 O ATOM 1149 OE2 GLU A 161 20.325 -8.414 -4.795 1.00 22.11 O ATOM 0 H GLU A 161 17.606 -8.335 -0.309 1.00 34.12 H new ATOM 0 HA GLU A 161 18.617 -7.149 -2.653 1.00 24.43 H new ATOM 0 HB2 GLU A 161 17.632 -9.771 -1.729 1.00 4.11 H new ATOM 0 HB3 GLU A 161 17.313 -9.483 -3.428 1.00 4.11 H new ATOM 0 HG2 GLU A 161 20.064 -8.908 -2.361 1.00 71.53 H new ATOM 0 HG3 GLU A 161 19.589 -10.577 -2.608 1.00 71.53 H new ATOM 1156 N GLY A 162 15.405 -7.908 -2.901 1.00 30.14 N ATOM 1157 CA GLY A 162 14.177 -7.514 -3.565 1.00 52.53 C ATOM 1158 C GLY A 162 13.006 -7.409 -2.608 1.00 64.41 C ATOM 1159 O GLY A 162 12.907 -8.181 -1.653 1.00 64.11 O ATOM 0 H GLY A 162 15.333 -8.752 -2.333 1.00 30.14 H new ATOM 0 HA2 GLY A 162 14.327 -6.553 -4.058 1.00 52.53 H new ATOM 0 HA3 GLY A 162 13.941 -8.238 -4.344 1.00 52.53 H new ATOM 1163 N ILE A 163 12.119 -6.455 -2.863 1.00 11.14 N ATOM 1164 CA ILE A 163 10.950 -6.254 -2.014 1.00 51.10 C ATOM 1165 C ILE A 163 9.706 -5.968 -2.851 1.00 23.31 C ATOM 1166 O ILE A 163 9.767 -5.244 -3.844 1.00 65.44 O ATOM 1167 CB ILE A 163 11.165 -5.094 -1.024 1.00 44.15 C ATOM 1168 CG1 ILE A 163 12.412 -5.347 -0.173 1.00 50.32 C ATOM 1169 CG2 ILE A 163 9.940 -4.917 -0.140 1.00 32.41 C ATOM 1170 CD1 ILE A 163 12.722 -4.224 0.791 1.00 2.24 C ATOM 0 H ILE A 163 12.186 -5.809 -3.649 1.00 11.14 H new ATOM 0 HA ILE A 163 10.805 -7.177 -1.453 1.00 51.10 H new ATOM 0 HB ILE A 163 11.314 -4.175 -1.590 1.00 44.15 H new ATOM 0 HG12 ILE A 163 12.277 -6.271 0.389 1.00 50.32 H new ATOM 0 HG13 ILE A 163 13.268 -5.496 -0.832 1.00 50.32 H new ATOM 0 HG21 ILE A 163 10.108 -4.093 0.554 1.00 32.41 H new ATOM 0 HG22 ILE A 163 9.072 -4.697 -0.761 1.00 32.41 H new ATOM 0 HG23 ILE A 163 9.761 -5.834 0.422 1.00 32.41 H new ATOM 0 HD11 ILE A 163 13.618 -4.471 1.361 1.00 2.24 H new ATOM 0 HD12 ILE A 163 12.889 -3.302 0.234 1.00 2.24 H new ATOM 0 HD13 ILE A 163 11.883 -4.089 1.474 1.00 2.24 H new ATOM 1182 N ILE A 164 8.580 -6.541 -2.440 1.00 32.25 N ATOM 1183 CA ILE A 164 7.322 -6.346 -3.149 1.00 42.42 C ATOM 1184 C ILE A 164 6.223 -5.879 -2.201 1.00 73.35 C ATOM 1185 O ILE A 164 6.125 -6.350 -1.068 1.00 14.54 O ATOM 1186 CB ILE A 164 6.865 -7.638 -3.851 1.00 72.12 C ATOM 1187 CG1 ILE A 164 7.950 -8.135 -4.809 1.00 52.10 C ATOM 1188 CG2 ILE A 164 5.559 -7.403 -4.596 1.00 62.20 C ATOM 1189 CD1 ILE A 164 7.713 -9.543 -5.312 1.00 3.34 C ATOM 0 H ILE A 164 8.513 -7.144 -1.620 1.00 32.25 H new ATOM 0 HA ILE A 164 7.500 -5.577 -3.901 1.00 42.42 H new ATOM 0 HB ILE A 164 6.696 -8.405 -3.095 1.00 72.12 H new ATOM 0 HG12 ILE A 164 8.009 -7.458 -5.661 1.00 52.10 H new ATOM 0 HG13 ILE A 164 8.915 -8.096 -4.304 1.00 52.10 H new ATOM 0 HG21 ILE A 164 5.249 -8.326 -5.087 1.00 62.20 H new ATOM 0 HG22 ILE A 164 4.789 -7.091 -3.891 1.00 62.20 H new ATOM 0 HG23 ILE A 164 5.702 -6.624 -5.345 1.00 62.20 H new ATOM 0 HD11 ILE A 164 8.521 -9.829 -5.986 1.00 3.34 H new ATOM 0 HD12 ILE A 164 7.684 -10.231 -4.467 1.00 3.34 H new ATOM 0 HD13 ILE A 164 6.763 -9.584 -5.846 1.00 3.34 H new ATOM 1201 N HIS A 165 5.395 -4.952 -2.673 1.00 44.52 N ATOM 1202 CA HIS A 165 4.300 -4.423 -1.868 1.00 44.21 C ATOM 1203 C HIS A 165 2.951 -4.831 -2.452 1.00 21.00 C ATOM 1204 O HIS A 165 2.775 -4.873 -3.670 1.00 11.22 O ATOM 1205 CB HIS A 165 4.392 -2.900 -1.782 1.00 54.44 C ATOM 1206 CG HIS A 165 5.789 -2.393 -1.600 1.00 23.24 C ATOM 1207 ND1 HIS A 165 6.490 -2.113 -0.476 1.00 22.02 N flip ATOM 1208 CD2 HIS A 165 6.632 -2.114 -2.655 1.00 61.43 C flip ATOM 1209 CE1 HIS A 165 7.732 -1.676 -0.869 1.00 43.43 C flip ATOM 1210 NE2 HIS A 165 7.792 -1.687 -2.187 1.00 34.52 N flip ATOM 0 H HIS A 165 5.462 -4.552 -3.609 1.00 44.52 H new ATOM 0 HA HIS A 165 4.384 -4.841 -0.865 1.00 44.21 H new ATOM 0 HB2 HIS A 165 3.973 -2.467 -2.690 1.00 54.44 H new ATOM 0 HB3 HIS A 165 3.778 -2.554 -0.951 1.00 54.44 H new ATOM 0 HD2 HIS A 165 6.383 -2.227 -3.700 1.00 61.43 H new ATOM 0 HE1 HIS A 165 8.529 -1.373 -0.207 1.00 43.43 H new ATOM 0 HE2 HIS A 165 8.597 -1.412 -2.750 1.00 34.52 H new ATOM 1218 N THR A 166 1.998 -5.133 -1.574 1.00 4.04 N ATOM 1219 CA THR A 166 0.666 -5.540 -2.001 1.00 41.32 C ATOM 1220 C THR A 166 -0.412 -4.807 -1.211 1.00 70.53 C ATOM 1221 O THR A 166 -0.641 -5.100 -0.037 1.00 11.25 O ATOM 1222 CB THR A 166 0.464 -7.058 -1.839 1.00 75.15 C ATOM 1223 OG1 THR A 166 1.515 -7.610 -1.039 1.00 72.51 O ATOM 1224 CG2 THR A 166 0.436 -7.748 -3.195 1.00 53.33 C ATOM 0 H THR A 166 2.125 -5.103 -0.562 1.00 4.04 H new ATOM 0 HA THR A 166 0.579 -5.280 -3.056 1.00 41.32 H new ATOM 0 HB THR A 166 -0.493 -7.224 -1.345 1.00 75.15 H new ATOM 0 HG1 THR A 166 1.693 -7.018 -0.278 1.00 72.51 H new ATOM 0 HG21 THR A 166 0.292 -8.819 -3.055 1.00 53.33 H new ATOM 0 HG22 THR A 166 -0.384 -7.347 -3.791 1.00 53.33 H new ATOM 0 HG23 THR A 166 1.380 -7.573 -3.712 1.00 53.33 H new ATOM 1232 N LEU A 167 -1.072 -3.856 -1.861 1.00 14.20 N ATOM 1233 CA LEU A 167 -2.129 -3.082 -1.219 1.00 5.23 C ATOM 1234 C LEU A 167 -3.336 -3.960 -0.909 1.00 14.01 C ATOM 1235 O LEU A 167 -3.756 -4.768 -1.738 1.00 73.52 O ATOM 1236 CB LEU A 167 -2.549 -1.914 -2.113 1.00 25.51 C ATOM 1237 CG LEU A 167 -3.817 -1.170 -1.694 1.00 73.01 C ATOM 1238 CD1 LEU A 167 -3.728 -0.741 -0.238 1.00 62.34 C ATOM 1239 CD2 LEU A 167 -4.050 0.035 -2.594 1.00 31.23 C ATOM 0 H LEU A 167 -0.894 -3.602 -2.833 1.00 14.20 H new ATOM 0 HA LEU A 167 -1.738 -2.690 -0.280 1.00 5.23 H new ATOM 0 HB2 LEU A 167 -1.728 -1.198 -2.151 1.00 25.51 H new ATOM 0 HB3 LEU A 167 -2.691 -2.291 -3.126 1.00 25.51 H new ATOM 0 HG LEU A 167 -4.664 -1.847 -1.800 1.00 73.01 H new ATOM 0 HD11 LEU A 167 -4.640 -0.213 0.042 1.00 62.34 H new ATOM 0 HD12 LEU A 167 -3.610 -1.621 0.394 1.00 62.34 H new ATOM 0 HD13 LEU A 167 -2.871 -0.081 -0.105 1.00 62.34 H new ATOM 0 HD21 LEU A 167 -4.957 0.553 -2.281 1.00 31.23 H new ATOM 0 HD22 LEU A 167 -3.201 0.714 -2.520 1.00 31.23 H new ATOM 0 HD23 LEU A 167 -4.160 -0.298 -3.626 1.00 31.23 H new ATOM 1251 N ILE A 168 -3.891 -3.795 0.287 1.00 33.23 N ATOM 1252 CA ILE A 168 -5.053 -4.570 0.704 1.00 45.22 C ATOM 1253 C ILE A 168 -6.062 -3.696 1.440 1.00 75.35 C ATOM 1254 O ILE A 168 -5.746 -3.091 2.465 1.00 71.55 O ATOM 1255 CB ILE A 168 -4.648 -5.745 1.613 1.00 22.24 C ATOM 1256 CG1 ILE A 168 -3.581 -6.604 0.932 1.00 50.45 C ATOM 1257 CG2 ILE A 168 -5.866 -6.585 1.966 1.00 21.51 C ATOM 1258 CD1 ILE A 168 -3.348 -7.933 1.613 1.00 73.34 C ATOM 0 H ILE A 168 -3.554 -3.131 0.985 1.00 33.23 H new ATOM 0 HA ILE A 168 -5.512 -4.964 -0.203 1.00 45.22 H new ATOM 0 HB ILE A 168 -4.228 -5.343 2.535 1.00 22.24 H new ATOM 0 HG12 ILE A 168 -3.876 -6.782 -0.102 1.00 50.45 H new ATOM 0 HG13 ILE A 168 -2.643 -6.050 0.905 1.00 50.45 H new ATOM 0 HG21 ILE A 168 -5.564 -7.412 2.609 1.00 21.51 H new ATOM 0 HG22 ILE A 168 -6.595 -5.966 2.489 1.00 21.51 H new ATOM 0 HG23 ILE A 168 -6.313 -6.980 1.053 1.00 21.51 H new ATOM 0 HD11 ILE A 168 -2.579 -8.488 1.075 1.00 73.34 H new ATOM 0 HD12 ILE A 168 -3.023 -7.764 2.639 1.00 73.34 H new ATOM 0 HD13 ILE A 168 -4.274 -8.508 1.616 1.00 73.34 H new ATOM 1270 N VAL A 169 -7.280 -3.635 0.911 1.00 12.51 N ATOM 1271 CA VAL A 169 -8.339 -2.836 1.519 1.00 45.33 C ATOM 1272 C VAL A 169 -9.546 -3.698 1.867 1.00 64.34 C ATOM 1273 O VAL A 169 -10.095 -4.392 1.010 1.00 64.00 O ATOM 1274 CB VAL A 169 -8.787 -1.695 0.587 1.00 60.23 C ATOM 1275 CG1 VAL A 169 -9.717 -0.741 1.320 1.00 51.51 C ATOM 1276 CG2 VAL A 169 -7.580 -0.956 0.030 1.00 3.42 C ATOM 0 H VAL A 169 -7.558 -4.129 0.063 1.00 12.51 H new ATOM 0 HA VAL A 169 -7.927 -2.407 2.433 1.00 45.33 H new ATOM 0 HB VAL A 169 -9.336 -2.127 -0.250 1.00 60.23 H new ATOM 0 HG11 VAL A 169 -10.023 0.059 0.646 1.00 51.51 H new ATOM 0 HG12 VAL A 169 -10.598 -1.283 1.663 1.00 51.51 H new ATOM 0 HG13 VAL A 169 -9.197 -0.313 2.177 1.00 51.51 H new ATOM 0 HG21 VAL A 169 -7.916 -0.153 -0.626 1.00 3.42 H new ATOM 0 HG22 VAL A 169 -7.000 -0.535 0.851 1.00 3.42 H new ATOM 0 HG23 VAL A 169 -6.957 -1.650 -0.535 1.00 3.42 H new ATOM 1286 N ASP A 170 -9.955 -3.651 3.130 1.00 55.42 N ATOM 1287 CA ASP A 170 -11.101 -4.427 3.591 1.00 31.14 C ATOM 1288 C ASP A 170 -10.825 -5.923 3.475 1.00 73.21 C ATOM 1289 O ASP A 170 -11.720 -6.705 3.154 1.00 24.44 O ATOM 1290 CB ASP A 170 -12.350 -4.062 2.788 1.00 41.53 C ATOM 1291 CG ASP A 170 -13.581 -3.926 3.662 1.00 73.13 C ATOM 1292 OD1 ASP A 170 -13.708 -4.700 4.634 1.00 74.35 O ATOM 1293 OD2 ASP A 170 -14.417 -3.045 3.375 1.00 13.34 O ATOM 0 H ASP A 170 -9.511 -3.084 3.852 1.00 55.42 H new ATOM 0 HA ASP A 170 -11.272 -4.187 4.640 1.00 31.14 H new ATOM 0 HB2 ASP A 170 -12.178 -3.124 2.260 1.00 41.53 H new ATOM 0 HB3 ASP A 170 -12.528 -4.826 2.031 1.00 41.53 H new ATOM 1298 N ASN A 171 -9.582 -6.313 3.736 1.00 30.40 N ATOM 1299 CA ASN A 171 -9.189 -7.716 3.659 1.00 0.43 C ATOM 1300 C ASN A 171 -9.332 -8.243 2.235 1.00 34.22 C ATOM 1301 O ASN A 171 -9.820 -9.353 2.019 1.00 51.54 O ATOM 1302 CB ASN A 171 -10.037 -8.558 4.614 1.00 33.40 C ATOM 1303 CG ASN A 171 -9.231 -9.647 5.295 1.00 1.14 C ATOM 1304 OD1 ASN A 171 -8.088 -9.913 4.924 1.00 4.24 O ATOM 1305 ND2 ASN A 171 -9.826 -10.284 6.298 1.00 42.12 N ATOM 0 H ASN A 171 -8.830 -5.678 4.003 1.00 30.40 H new ATOM 0 HA ASN A 171 -8.142 -7.791 3.952 1.00 0.43 H new ATOM 0 HB2 ASN A 171 -10.479 -7.910 5.371 1.00 33.40 H new ATOM 0 HB3 ASN A 171 -10.860 -9.011 4.062 1.00 33.40 H new ATOM 0 HD21 ASN A 171 -9.333 -11.027 6.794 1.00 42.12 H new ATOM 0 HD22 ASN A 171 -10.775 -10.030 6.572 1.00 42.12 H new ATOM 1312 N ARG A 172 -8.903 -7.440 1.267 1.00 72.04 N ATOM 1313 CA ARG A 172 -8.983 -7.825 -0.137 1.00 74.31 C ATOM 1314 C ARG A 172 -7.735 -7.383 -0.895 1.00 42.53 C ATOM 1315 O ARG A 172 -7.334 -6.222 -0.824 1.00 4.45 O ATOM 1316 CB ARG A 172 -10.229 -7.217 -0.784 1.00 43.11 C ATOM 1317 CG ARG A 172 -11.382 -8.197 -0.928 1.00 4.24 C ATOM 1318 CD ARG A 172 -12.298 -7.815 -2.080 1.00 45.42 C ATOM 1319 NE ARG A 172 -13.439 -7.021 -1.633 1.00 30.41 N ATOM 1320 CZ ARG A 172 -14.352 -6.518 -2.457 1.00 22.54 C ATOM 1321 NH1 ARG A 172 -14.259 -6.726 -3.762 1.00 64.52 N ATOM 1322 NH2 ARG A 172 -15.363 -5.808 -1.973 1.00 2.50 N ATOM 0 H ARG A 172 -8.496 -6.519 1.429 1.00 72.04 H new ATOM 0 HA ARG A 172 -9.050 -8.912 -0.186 1.00 74.31 H new ATOM 0 HB2 ARG A 172 -10.559 -6.366 -0.188 1.00 43.11 H new ATOM 0 HB3 ARG A 172 -9.965 -6.832 -1.769 1.00 43.11 H new ATOM 0 HG2 ARG A 172 -10.989 -9.201 -1.091 1.00 4.24 H new ATOM 0 HG3 ARG A 172 -11.954 -8.226 -0.001 1.00 4.24 H new ATOM 0 HD2 ARG A 172 -11.732 -7.251 -2.821 1.00 45.42 H new ATOM 0 HD3 ARG A 172 -12.656 -8.719 -2.573 1.00 45.42 H new ATOM 0 HE ARG A 172 -13.541 -6.843 -0.634 1.00 30.41 H new ATOM 0 HH11 ARG A 172 -13.485 -7.274 -4.137 1.00 64.52 H new ATOM 0 HH12 ARG A 172 -14.962 -6.338 -4.392 1.00 64.52 H new ATOM 0 HH21 ARG A 172 -15.439 -5.648 -0.968 1.00 2.50 H new ATOM 0 HH22 ARG A 172 -16.064 -5.422 -2.605 1.00 2.50 H new ATOM 1336 N GLU A 173 -7.126 -8.316 -1.619 1.00 22.43 N ATOM 1337 CA GLU A 173 -5.923 -8.023 -2.388 1.00 1.53 C ATOM 1338 C GLU A 173 -6.209 -6.983 -3.469 1.00 23.34 C ATOM 1339 O GLU A 173 -7.304 -6.940 -4.029 1.00 20.35 O ATOM 1340 CB GLU A 173 -5.374 -9.300 -3.026 1.00 2.41 C ATOM 1341 CG GLU A 173 -3.880 -9.487 -2.823 1.00 65.24 C ATOM 1342 CD GLU A 173 -3.233 -10.276 -3.946 1.00 0.51 C ATOM 1343 OE1 GLU A 173 -3.009 -9.693 -5.027 1.00 13.43 O ATOM 1344 OE2 GLU A 173 -2.950 -11.476 -3.743 1.00 14.53 O ATOM 0 H GLU A 173 -7.446 -9.282 -1.689 1.00 22.43 H new ATOM 0 HA GLU A 173 -5.176 -7.617 -1.705 1.00 1.53 H new ATOM 0 HB2 GLU A 173 -5.899 -10.159 -2.609 1.00 2.41 H new ATOM 0 HB3 GLU A 173 -5.588 -9.283 -4.095 1.00 2.41 H new ATOM 0 HG2 GLU A 173 -3.402 -8.510 -2.748 1.00 65.24 H new ATOM 0 HG3 GLU A 173 -3.707 -10.000 -1.877 1.00 65.24 H new ATOM 1351 N ILE A 174 -5.216 -6.148 -3.754 1.00 41.31 N ATOM 1352 CA ILE A 174 -5.359 -5.109 -4.767 1.00 55.52 C ATOM 1353 C ILE A 174 -4.291 -5.241 -5.846 1.00 30.31 C ATOM 1354 O ILE A 174 -3.100 -5.372 -5.563 1.00 31.32 O ATOM 1355 CB ILE A 174 -5.275 -3.702 -4.147 1.00 15.33 C ATOM 1356 CG1 ILE A 174 -6.411 -3.493 -3.143 1.00 75.55 C ATOM 1357 CG2 ILE A 174 -5.319 -2.639 -5.235 1.00 35.34 C ATOM 1358 CD1 ILE A 174 -7.350 -2.367 -3.519 1.00 43.43 C ATOM 0 H ILE A 174 -4.304 -6.170 -3.298 1.00 41.31 H new ATOM 0 HA ILE A 174 -6.343 -5.241 -5.216 1.00 55.52 H new ATOM 0 HB ILE A 174 -4.327 -3.612 -3.617 1.00 15.33 H new ATOM 0 HG12 ILE A 174 -6.982 -4.417 -3.055 1.00 75.55 H new ATOM 0 HG13 ILE A 174 -5.984 -3.287 -2.161 1.00 75.55 H new ATOM 0 HG21 ILE A 174 -5.259 -1.650 -4.780 1.00 35.34 H new ATOM 0 HG22 ILE A 174 -4.478 -2.778 -5.914 1.00 35.34 H new ATOM 0 HG23 ILE A 174 -6.252 -2.726 -5.791 1.00 35.34 H new ATOM 0 HD11 ILE A 174 -8.130 -2.276 -2.763 1.00 43.43 H new ATOM 0 HD12 ILE A 174 -6.792 -1.433 -3.579 1.00 43.43 H new ATOM 0 HD13 ILE A 174 -7.805 -2.580 -4.486 1.00 43.43 H new ATOM 1370 N PRO A 175 -4.723 -5.206 -7.116 1.00 15.23 N ATOM 1371 CA PRO A 175 -3.819 -5.318 -8.264 1.00 13.10 C ATOM 1372 C PRO A 175 -2.935 -4.087 -8.428 1.00 2.44 C ATOM 1373 O PRO A 175 -3.386 -2.958 -8.236 1.00 64.22 O ATOM 1374 CB PRO A 175 -4.772 -5.454 -9.454 1.00 33.14 C ATOM 1375 CG PRO A 175 -6.034 -4.798 -9.006 1.00 3.12 C ATOM 1376 CD PRO A 175 -6.129 -5.052 -7.526 1.00 54.43 C ATOM 0 HA PRO A 175 -3.126 -6.153 -8.157 1.00 13.10 H new ATOM 0 HB2 PRO A 175 -4.368 -4.969 -10.342 1.00 33.14 H new ATOM 0 HB3 PRO A 175 -4.939 -6.500 -9.710 1.00 33.14 H new ATOM 0 HG2 PRO A 175 -6.015 -3.729 -9.218 1.00 3.12 H new ATOM 0 HG3 PRO A 175 -6.896 -5.212 -9.529 1.00 3.12 H new ATOM 0 HD2 PRO A 175 -6.611 -4.224 -7.006 1.00 54.43 H new ATOM 0 HD3 PRO A 175 -6.712 -5.947 -7.308 1.00 54.43 H new ATOM 1384 N GLU A 176 -1.674 -4.313 -8.783 1.00 64.41 N ATOM 1385 CA GLU A 176 -0.726 -3.220 -8.972 1.00 34.54 C ATOM 1386 C GLU A 176 -0.821 -2.657 -10.386 1.00 12.11 C ATOM 1387 O GLU A 176 0.173 -2.598 -11.111 1.00 63.53 O ATOM 1388 CB GLU A 176 0.700 -3.700 -8.696 1.00 12.23 C ATOM 1389 CG GLU A 176 1.719 -2.574 -8.631 1.00 11.24 C ATOM 1390 CD GLU A 176 2.873 -2.775 -9.593 1.00 70.53 C ATOM 1391 OE1 GLU A 176 2.641 -3.320 -10.693 1.00 21.24 O ATOM 1392 OE2 GLU A 176 4.009 -2.388 -9.247 1.00 20.23 O ATOM 0 H GLU A 176 -1.285 -5.242 -8.945 1.00 64.41 H new ATOM 0 HA GLU A 176 -0.978 -2.428 -8.267 1.00 34.54 H new ATOM 0 HB2 GLU A 176 0.714 -4.247 -7.753 1.00 12.23 H new ATOM 0 HB3 GLU A 176 0.996 -4.402 -9.476 1.00 12.23 H new ATOM 0 HG2 GLU A 176 1.225 -1.629 -8.855 1.00 11.24 H new ATOM 0 HG3 GLU A 176 2.107 -2.498 -7.615 1.00 11.24 H new