USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.00272 USER MOD Single : A 8 SER OG : rot 34:sc= 0.181 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 170:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -58:sc= 0.92 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00835 X(o=-0.0084,f=-0.44) USER MOD Single : A 41 MET CE :methyl 177:sc= -5.69! (180deg=-5.71!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 135 N THR A 7 -5.460 10.272 3.008 1.00 0.00 N ATOM 136 CA THR A 7 -4.164 10.423 2.280 1.00 0.00 C ATOM 137 C THR A 7 -3.003 10.805 3.243 1.00 0.00 C ATOM 138 O THR A 7 -2.386 11.870 3.142 1.00 0.00 O ATOM 139 CB THR A 7 -4.271 11.205 0.951 1.00 0.00 C ATOM 140 OG1 THR A 7 -3.010 11.275 0.293 1.00 0.00 O ATOM 141 CG2 THR A 7 -4.784 12.609 1.145 1.00 0.00 C ATOM 0 HA THR A 7 -3.876 9.440 1.908 1.00 0.00 H new ATOM 0 HB THR A 7 -4.985 10.653 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.106 11.773 -0.545 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.839 13.113 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.777 12.575 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.107 13.156 1.802 1.00 0.00 H new ATOM 149 N SER A 8 -2.712 9.883 4.169 1.00 0.00 N ATOM 150 CA SER A 8 -1.585 9.996 5.120 1.00 0.00 C ATOM 151 C SER A 8 -1.180 8.539 5.403 1.00 0.00 C ATOM 152 O SER A 8 -1.908 7.782 6.057 1.00 0.00 O ATOM 153 CB SER A 8 -1.898 10.801 6.396 1.00 0.00 C ATOM 154 OG SER A 8 -3.028 10.301 7.106 1.00 0.00 O ATOM 0 H SER A 8 -3.254 9.027 4.285 1.00 0.00 H new ATOM 0 HA SER A 8 -0.769 10.578 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.027 10.785 7.052 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.076 11.842 6.128 1.00 0.00 H new ATOM 0 HG SER A 8 -3.065 9.326 7.017 1.00 0.00 H new ATOM 160 N ILE A 9 -0.003 8.162 4.880 1.00 0.00 N ATOM 161 CA ILE A 9 0.520 6.782 4.965 1.00 0.00 C ATOM 162 C ILE A 9 1.398 6.774 6.256 1.00 0.00 C ATOM 163 O ILE A 9 2.582 7.127 6.219 1.00 0.00 O ATOM 164 CB ILE A 9 1.257 6.358 3.636 1.00 0.00 C ATOM 165 CG1 ILE A 9 0.870 7.050 2.295 1.00 0.00 C ATOM 166 CG2 ILE A 9 1.099 4.831 3.437 1.00 0.00 C ATOM 167 CD1 ILE A 9 1.748 6.759 1.066 1.00 0.00 C ATOM 0 H ILE A 9 0.617 8.803 4.385 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.258 6.023 5.049 1.00 0.00 H new ATOM 0 HB ILE A 9 2.276 6.699 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.154 6.764 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.870 8.127 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.606 4.529 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.539 4.306 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.040 4.581 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.362 7.306 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.772 7.074 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.733 5.690 0.853 1.00 0.00 H new ATOM 179 N GLU A 10 0.775 6.427 7.401 1.00 0.00 N ATOM 180 CA GLU A 10 1.420 6.521 8.739 1.00 0.00 C ATOM 181 C GLU A 10 1.695 5.082 9.245 1.00 0.00 C ATOM 182 O GLU A 10 2.654 4.477 8.759 1.00 0.00 O ATOM 183 CB GLU A 10 0.585 7.471 9.654 1.00 0.00 C ATOM 184 CG GLU A 10 0.574 8.955 9.221 1.00 0.00 C ATOM 185 CD GLU A 10 -0.314 9.830 10.108 1.00 0.00 C ATOM 186 OE1 GLU A 10 -1.510 10.022 9.888 1.00 0.00 O ATOM 187 OE2 GLU A 10 0.376 10.370 11.163 1.00 0.00 O ATOM 0 H GLU A 10 -0.182 6.076 7.431 1.00 0.00 H new ATOM 0 HA GLU A 10 2.401 6.996 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.443 7.110 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.975 7.408 10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.593 9.342 9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.228 9.024 8.190 1.00 0.00 H new ATOM 195 N THR A 11 0.979 4.570 10.267 1.00 0.00 N ATOM 196 CA THR A 11 1.125 3.167 10.748 1.00 0.00 C ATOM 197 C THR A 11 0.194 2.157 10.029 1.00 0.00 C ATOM 198 O THR A 11 0.638 1.439 9.133 1.00 0.00 O ATOM 199 CB THR A 11 1.136 3.043 12.304 1.00 0.00 C ATOM 200 OG1 THR A 11 -0.013 3.659 12.883 1.00 0.00 O ATOM 201 CG2 THR A 11 2.390 3.622 12.968 1.00 0.00 C ATOM 0 H THR A 11 0.285 5.109 10.785 1.00 0.00 H new ATOM 0 HA THR A 11 2.126 2.862 10.443 1.00 0.00 H new ATOM 0 HB THR A 11 1.129 1.970 12.494 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.021 3.564 13.858 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.320 3.497 14.049 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.272 3.099 12.598 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.471 4.683 12.730 1.00 0.00 H new ATOM 209 N ASN A 12 -1.085 2.102 10.440 1.00 0.00 N ATOM 210 CA ASN A 12 -2.059 1.071 9.979 1.00 0.00 C ATOM 211 C ASN A 12 -2.395 0.956 8.461 1.00 0.00 C ATOM 212 O ASN A 12 -2.648 -0.169 8.017 1.00 0.00 O ATOM 213 CB ASN A 12 -3.319 1.098 10.886 1.00 0.00 C ATOM 214 CG ASN A 12 -4.303 2.281 10.706 1.00 0.00 C ATOM 215 OD1 ASN A 12 -3.944 3.448 10.860 1.00 0.00 O ATOM 216 ND2 ASN A 12 -5.558 2.004 10.387 1.00 0.00 N ATOM 0 H ASN A 12 -1.483 2.768 11.102 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.509 0.137 10.097 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.871 0.173 10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.987 1.091 11.924 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.233 2.760 10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.850 1.035 10.261 1.00 0.00 H new ATOM 223 N ILE A 13 -2.426 2.052 7.665 1.00 0.00 N ATOM 224 CA ILE A 13 -2.525 1.925 6.179 1.00 0.00 C ATOM 225 C ILE A 13 -1.121 1.463 5.613 1.00 0.00 C ATOM 226 O ILE A 13 -1.072 0.442 4.932 1.00 0.00 O ATOM 227 CB ILE A 13 -3.279 3.091 5.446 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.002 2.654 4.183 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.442 4.321 5.076 1.00 0.00 C ATOM 230 CD1 ILE A 13 -3.154 1.895 3.160 1.00 0.00 C ATOM 0 H ILE A 13 -2.386 3.012 8.008 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.227 1.130 5.927 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.985 3.383 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.844 2.023 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.416 3.539 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.074 5.054 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.022 4.761 5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.634 4.023 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.770 1.632 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.326 2.525 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.761 0.986 3.616 1.00 0.00 H new ATOM 242 N ARG A 14 0.012 2.122 5.945 1.00 0.00 N ATOM 243 CA ARG A 14 1.395 1.712 5.513 1.00 0.00 C ATOM 244 C ARG A 14 1.818 0.225 5.753 1.00 0.00 C ATOM 245 O ARG A 14 2.553 -0.337 4.943 1.00 0.00 O ATOM 246 CB ARG A 14 2.374 2.586 6.369 1.00 0.00 C ATOM 247 CG ARG A 14 3.812 2.838 5.858 1.00 0.00 C ATOM 248 CD ARG A 14 3.985 4.032 4.900 1.00 0.00 C ATOM 249 NE ARG A 14 5.424 4.312 4.674 1.00 0.00 N ATOM 250 CZ ARG A 14 5.901 5.306 3.902 1.00 0.00 C ATOM 251 NH1 ARG A 14 5.134 6.189 3.265 1.00 0.00 N ATOM 252 NH2 ARG A 14 7.209 5.408 3.763 1.00 0.00 N ATOM 0 H ARG A 14 0.007 2.962 6.524 1.00 0.00 H new ATOM 0 HA ARG A 14 1.421 1.844 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.903 3.558 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.453 2.121 7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.462 2.991 6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.160 1.938 5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.497 3.817 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.498 4.914 5.317 1.00 0.00 H new ATOM 0 HE ARG A 14 6.102 3.707 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.119 6.136 3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.562 6.919 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.825 4.745 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.604 6.150 3.185 1.00 0.00 H new ATOM 265 N VAL A 15 1.366 -0.351 6.879 1.00 0.00 N ATOM 266 CA VAL A 15 1.599 -1.768 7.289 1.00 0.00 C ATOM 267 C VAL A 15 0.813 -2.768 6.387 1.00 0.00 C ATOM 268 O VAL A 15 1.381 -3.728 5.867 1.00 0.00 O ATOM 269 CB VAL A 15 1.349 -1.901 8.835 1.00 0.00 C ATOM 270 CG1 VAL A 15 -0.092 -2.197 9.284 1.00 0.00 C ATOM 271 CG2 VAL A 15 2.225 -2.965 9.491 1.00 0.00 C ATOM 0 H VAL A 15 0.808 0.164 7.560 1.00 0.00 H new ATOM 0 HA VAL A 15 2.639 -2.051 7.123 1.00 0.00 H new ATOM 0 HB VAL A 15 1.604 -0.893 9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.128 -2.264 10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.750 -1.395 8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.421 -3.142 8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.006 -3.009 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.020 -3.935 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.275 -2.712 9.346 1.00 0.00 H new ATOM 281 N ALA A 16 -0.493 -2.495 6.222 1.00 0.00 N ATOM 282 CA ALA A 16 -1.384 -3.200 5.275 1.00 0.00 C ATOM 283 C ALA A 16 -0.971 -3.037 3.781 1.00 0.00 C ATOM 284 O ALA A 16 -1.210 -3.981 3.030 1.00 0.00 O ATOM 285 CB ALA A 16 -2.822 -2.721 5.521 1.00 0.00 C ATOM 0 H ALA A 16 -0.971 -1.765 6.751 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.301 -4.270 5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.497 -3.229 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.111 -2.949 6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.880 -1.645 5.358 1.00 0.00 H new ATOM 291 N LEU A 17 -0.367 -1.893 3.359 1.00 0.00 N ATOM 292 CA LEU A 17 0.243 -1.732 2.011 1.00 0.00 C ATOM 293 C LEU A 17 1.589 -2.509 1.874 1.00 0.00 C ATOM 294 O LEU A 17 1.827 -3.117 0.828 1.00 0.00 O ATOM 295 CB LEU A 17 0.319 -0.230 1.612 1.00 0.00 C ATOM 296 CG LEU A 17 -1.013 0.404 1.104 1.00 0.00 C ATOM 297 CD1 LEU A 17 -0.983 1.823 0.476 1.00 0.00 C ATOM 298 CD2 LEU A 17 -1.957 -0.461 0.236 1.00 0.00 C ATOM 0 H LEU A 17 -0.290 -1.060 3.942 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.413 -2.201 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.665 0.339 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.073 -0.118 0.833 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.426 0.485 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.991 2.110 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.604 2.537 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.333 1.820 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.837 0.122 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.435 -0.774 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.265 -1.341 0.800 1.00 0.00 H new ATOM 310 N GLU A 18 2.447 -2.526 2.915 1.00 0.00 N ATOM 311 CA GLU A 18 3.658 -3.393 2.991 1.00 0.00 C ATOM 312 C GLU A 18 3.318 -4.902 2.846 1.00 0.00 C ATOM 313 O GLU A 18 3.909 -5.578 2.007 1.00 0.00 O ATOM 314 CB GLU A 18 4.499 -2.950 4.234 1.00 0.00 C ATOM 315 CG GLU A 18 5.341 -3.959 5.061 1.00 0.00 C ATOM 316 CD GLU A 18 4.588 -4.882 6.023 1.00 0.00 C ATOM 317 OE1 GLU A 18 4.490 -6.097 5.855 1.00 0.00 O ATOM 318 OE2 GLU A 18 4.068 -4.206 7.093 1.00 0.00 O ATOM 0 H GLU A 18 2.324 -1.936 3.738 1.00 0.00 H new ATOM 0 HA GLU A 18 4.311 -3.252 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.185 -2.176 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.806 -2.475 4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.900 -4.583 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.072 -3.394 5.639 1.00 0.00 H new ATOM 326 N LYS A 19 2.339 -5.420 3.597 1.00 0.00 N ATOM 327 CA LYS A 19 1.913 -6.841 3.503 1.00 0.00 C ATOM 328 C LYS A 19 1.082 -7.244 2.241 1.00 0.00 C ATOM 329 O LYS A 19 1.091 -8.411 1.839 1.00 0.00 O ATOM 330 CB LYS A 19 1.240 -7.114 4.877 1.00 0.00 C ATOM 331 CG LYS A 19 0.975 -8.570 5.288 1.00 0.00 C ATOM 332 CD LYS A 19 0.388 -8.625 6.721 1.00 0.00 C ATOM 333 CE LYS A 19 0.129 -10.045 7.262 1.00 0.00 C ATOM 334 NZ LYS A 19 -0.996 -10.726 6.592 1.00 0.00 N ATOM 0 H LYS A 19 1.816 -4.879 4.286 1.00 0.00 H new ATOM 0 HA LYS A 19 2.765 -7.498 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.864 -6.661 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.286 -6.587 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.282 -9.033 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.902 -9.142 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.072 -8.113 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.550 -8.070 6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.032 -10.643 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.074 -9.988 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.120 -11.675 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.867 -10.174 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.795 -10.809 5.575 1.00 0.00 H new ATOM 347 N SER A 20 0.427 -6.260 1.607 1.00 0.00 N ATOM 348 CA SER A 20 -0.145 -6.339 0.231 1.00 0.00 C ATOM 349 C SER A 20 0.884 -6.794 -0.853 1.00 0.00 C ATOM 350 O SER A 20 0.571 -7.628 -1.704 1.00 0.00 O ATOM 351 CB SER A 20 -0.633 -4.903 -0.067 1.00 0.00 C ATOM 352 OG SER A 20 -1.949 -4.887 -0.603 1.00 0.00 O ATOM 0 H SER A 20 0.269 -5.351 2.043 1.00 0.00 H new ATOM 0 HA SER A 20 -0.934 -7.090 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.608 -4.314 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.050 -4.427 -0.770 1.00 0.00 H new ATOM 0 HG SER A 20 -2.281 -3.965 -0.627 1.00 0.00 H new ATOM 358 N PHE A 21 2.104 -6.229 -0.768 1.00 0.00 N ATOM 359 CA PHE A 21 3.270 -6.568 -1.606 1.00 0.00 C ATOM 360 C PHE A 21 3.758 -8.039 -1.418 1.00 0.00 C ATOM 361 O PHE A 21 3.894 -8.785 -2.386 1.00 0.00 O ATOM 362 CB PHE A 21 4.357 -5.512 -1.243 1.00 0.00 C ATOM 363 CG PHE A 21 5.530 -5.520 -2.240 1.00 0.00 C ATOM 364 CD1 PHE A 21 5.438 -4.857 -3.469 1.00 0.00 C ATOM 365 CD2 PHE A 21 6.707 -6.194 -1.905 1.00 0.00 C ATOM 366 CE1 PHE A 21 6.542 -4.811 -4.319 1.00 0.00 C ATOM 367 CE2 PHE A 21 7.808 -6.137 -2.747 1.00 0.00 C ATOM 368 CZ PHE A 21 7.733 -5.432 -3.944 1.00 0.00 C ATOM 0 H PHE A 21 2.312 -5.497 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 21 3.017 -6.528 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.906 -4.520 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.734 -5.711 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.513 -4.381 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.760 -6.761 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.475 -4.296 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.724 -6.640 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.600 -5.365 -4.585 1.00 0.00 H new ATOM 378 N LEU A 22 3.995 -8.423 -0.155 1.00 0.00 N ATOM 379 CA LEU A 22 4.371 -9.800 0.279 1.00 0.00 C ATOM 380 C LEU A 22 3.414 -10.963 -0.156 1.00 0.00 C ATOM 381 O LEU A 22 3.869 -12.101 -0.300 1.00 0.00 O ATOM 382 CB LEU A 22 4.614 -9.792 1.801 1.00 0.00 C ATOM 383 CG LEU A 22 5.661 -8.750 2.295 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.775 -8.831 3.802 1.00 0.00 C ATOM 385 CD2 LEU A 22 7.059 -8.867 1.658 1.00 0.00 C ATOM 0 H LEU A 22 3.931 -7.771 0.627 1.00 0.00 H new ATOM 0 HA LEU A 22 5.285 -10.041 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.666 -9.599 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.941 -10.786 2.107 1.00 0.00 H new ATOM 0 HG LEU A 22 5.284 -7.780 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.507 -8.103 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.806 -8.616 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.094 -9.833 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.712 -8.097 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.476 -9.850 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.979 -8.736 0.579 1.00 0.00 H new ATOM 397 N GLU A 23 2.122 -10.658 -0.408 1.00 0.00 N ATOM 398 CA GLU A 23 1.131 -11.608 -0.976 1.00 0.00 C ATOM 399 C GLU A 23 1.284 -11.617 -2.531 1.00 0.00 C ATOM 400 O GLU A 23 1.581 -12.665 -3.111 1.00 0.00 O ATOM 401 CB GLU A 23 -0.288 -11.179 -0.492 1.00 0.00 C ATOM 402 CG GLU A 23 -1.436 -12.170 -0.785 1.00 0.00 C ATOM 403 CD GLU A 23 -1.357 -13.482 0.005 1.00 0.00 C ATOM 404 OE1 GLU A 23 -1.797 -13.613 1.147 1.00 0.00 O ATOM 405 OE2 GLU A 23 -0.743 -14.480 -0.708 1.00 0.00 O ATOM 0 H GLU A 23 1.730 -9.735 -0.222 1.00 0.00 H new ATOM 0 HA GLU A 23 1.294 -12.631 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.247 -11.011 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.534 -10.223 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.386 -11.683 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.437 -12.401 -1.850 1.00 0.00 H new ATOM 413 N ASN A 24 1.103 -10.447 -3.172 1.00 0.00 N ATOM 414 CA ASN A 24 1.344 -10.240 -4.623 1.00 0.00 C ATOM 415 C ASN A 24 1.965 -8.836 -4.818 1.00 0.00 C ATOM 416 O ASN A 24 1.426 -7.808 -4.396 1.00 0.00 O ATOM 417 CB ASN A 24 0.139 -10.471 -5.568 1.00 0.00 C ATOM 418 CG ASN A 24 -1.262 -10.001 -5.166 1.00 0.00 C ATOM 419 OD1 ASN A 24 -1.476 -9.167 -4.286 1.00 0.00 O ATOM 420 ND2 ASN A 24 -2.242 -10.529 -5.870 1.00 0.00 N ATOM 0 H ASN A 24 0.781 -9.605 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 24 2.031 -11.029 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.379 -9.994 -6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.078 -11.543 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.206 -10.249 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.036 -11.218 -6.593 1.00 0.00 H new ATOM 427 N GLN A 25 3.118 -8.845 -5.496 1.00 0.00 N ATOM 428 CA GLN A 25 3.913 -7.614 -5.798 1.00 0.00 C ATOM 429 C GLN A 25 3.268 -6.742 -6.921 1.00 0.00 C ATOM 430 O GLN A 25 3.120 -5.530 -6.744 1.00 0.00 O ATOM 431 CB GLN A 25 5.401 -7.946 -6.096 1.00 0.00 C ATOM 432 CG GLN A 25 6.229 -8.590 -4.954 1.00 0.00 C ATOM 433 CD GLN A 25 6.057 -10.108 -4.735 1.00 0.00 C ATOM 434 OE1 GLN A 25 5.732 -10.873 -5.644 1.00 0.00 O ATOM 435 NE2 GLN A 25 6.294 -10.579 -3.521 1.00 0.00 N ATOM 0 H GLN A 25 3.541 -9.700 -5.858 1.00 0.00 H new ATOM 0 HA GLN A 25 3.896 -7.005 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.431 -8.617 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.899 -7.024 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.283 -8.393 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.975 -8.082 -4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.563 -9.943 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.208 -11.578 -3.336 1.00 0.00 H new ATOM 444 N LYS A 26 2.889 -7.377 -8.047 1.00 0.00 N ATOM 445 CA LYS A 26 2.078 -6.763 -9.127 1.00 0.00 C ATOM 446 C LYS A 26 0.665 -7.392 -8.991 1.00 0.00 C ATOM 447 O LYS A 26 0.381 -8.357 -9.711 1.00 0.00 O ATOM 448 CB LYS A 26 2.800 -6.982 -10.485 1.00 0.00 C ATOM 449 CG LYS A 26 2.123 -6.297 -11.693 1.00 0.00 C ATOM 450 CD LYS A 26 2.858 -6.566 -13.020 1.00 0.00 C ATOM 451 CE LYS A 26 2.176 -5.894 -14.225 1.00 0.00 C ATOM 452 NZ LYS A 26 2.891 -6.189 -15.479 1.00 0.00 N ATOM 0 H LYS A 26 3.140 -8.347 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 26 1.964 -5.681 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.822 -6.613 -10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.862 -8.053 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.094 -6.648 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.080 -5.222 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.884 -6.206 -12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.909 -7.641 -13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.145 -6.240 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.139 -4.816 -14.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.407 -5.722 -16.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.867 -5.837 -15.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.904 -7.217 -15.638 1.00 0.00 H new ATOM 465 N PRO A 27 -0.257 -6.898 -8.099 1.00 0.00 N ATOM 466 CA PRO A 27 -1.672 -7.347 -8.091 1.00 0.00 C ATOM 467 C PRO A 27 -2.394 -7.044 -9.442 1.00 0.00 C ATOM 468 O PRO A 27 -3.041 -7.934 -9.995 1.00 0.00 O ATOM 469 CB PRO A 27 -2.253 -6.635 -6.853 1.00 0.00 C ATOM 470 CG PRO A 27 -1.393 -5.398 -6.638 1.00 0.00 C ATOM 471 CD PRO A 27 -0.009 -5.806 -7.128 1.00 0.00 C ATOM 0 HA PRO A 27 -1.800 -8.427 -8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.296 -6.362 -7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.225 -7.286 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.777 -4.545 -7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.372 -5.106 -5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.507 -4.969 -7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.618 -6.145 -6.304 1.00 0.00 H new ATOM 479 N THR A 28 -2.233 -5.795 -9.926 1.00 0.00 N ATOM 480 CA THR A 28 -2.693 -5.240 -11.200 1.00 0.00 C ATOM 481 C THR A 28 -3.235 -3.802 -11.038 1.00 0.00 C ATOM 482 O THR A 28 -3.752 -3.447 -9.982 1.00 0.00 O ATOM 483 CB THR A 28 -3.108 -6.105 -12.430 1.00 0.00 C ATOM 484 OG1 THR A 28 -4.301 -6.833 -12.169 1.00 0.00 O ATOM 485 CG2 THR A 28 -1.975 -7.053 -12.889 1.00 0.00 C ATOM 0 H THR A 28 -1.732 -5.093 -9.381 1.00 0.00 H new ATOM 0 HA THR A 28 -1.765 -5.231 -11.772 1.00 0.00 H new ATOM 0 HB THR A 28 -3.301 -5.413 -13.250 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.172 -7.401 -11.381 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.312 -7.634 -13.748 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.100 -6.466 -13.169 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.713 -7.728 -12.074 1.00 0.00 H new ATOM 493 N SER A 29 -3.042 -2.923 -12.046 1.00 0.00 N ATOM 494 CA SER A 29 -3.594 -1.527 -12.036 1.00 0.00 C ATOM 495 C SER A 29 -5.118 -1.370 -11.699 1.00 0.00 C ATOM 496 O SER A 29 -5.553 -0.353 -11.156 1.00 0.00 O ATOM 497 CB SER A 29 -3.322 -0.916 -13.426 1.00 0.00 C ATOM 498 OG SER A 29 -1.992 -0.420 -13.516 1.00 0.00 O ATOM 0 H SER A 29 -2.507 -3.146 -12.886 1.00 0.00 H new ATOM 0 HA SER A 29 -3.089 -1.015 -11.217 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.485 -1.670 -14.196 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.028 -0.108 -13.616 1.00 0.00 H new ATOM 0 HG SER A 29 -1.844 -0.040 -14.407 1.00 0.00 H new ATOM 504 N GLU A 30 -5.892 -2.382 -12.095 1.00 0.00 N ATOM 505 CA GLU A 30 -7.333 -2.532 -11.716 1.00 0.00 C ATOM 506 C GLU A 30 -7.474 -3.153 -10.302 1.00 0.00 C ATOM 507 O GLU A 30 -8.225 -2.647 -9.472 1.00 0.00 O ATOM 508 CB GLU A 30 -8.052 -3.375 -12.804 1.00 0.00 C ATOM 509 CG GLU A 30 -9.595 -3.365 -12.768 1.00 0.00 C ATOM 510 CD GLU A 30 -10.231 -2.005 -13.081 1.00 0.00 C ATOM 511 OE1 GLU A 30 -10.612 -1.221 -12.212 1.00 0.00 O ATOM 512 OE2 GLU A 30 -10.317 -1.770 -14.429 1.00 0.00 O ATOM 0 H GLU A 30 -5.552 -3.136 -12.692 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.808 -1.552 -11.667 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.730 -3.017 -13.782 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.714 -4.408 -12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.967 -4.099 -13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.925 -3.687 -11.780 1.00 0.00 H new ATOM 520 N GLU A 31 -6.726 -4.240 -10.055 1.00 0.00 N ATOM 521 CA GLU A 31 -6.589 -4.899 -8.732 1.00 0.00 C ATOM 522 C GLU A 31 -6.169 -3.976 -7.518 1.00 0.00 C ATOM 523 O GLU A 31 -6.544 -4.254 -6.376 1.00 0.00 O ATOM 524 CB GLU A 31 -5.585 -6.058 -9.000 1.00 0.00 C ATOM 525 CG GLU A 31 -5.632 -7.180 -7.931 1.00 0.00 C ATOM 526 CD GLU A 31 -6.911 -8.027 -7.949 1.00 0.00 C ATOM 527 OE1 GLU A 31 -7.102 -8.947 -8.744 1.00 0.00 O ATOM 528 OE2 GLU A 31 -7.806 -7.639 -6.984 1.00 0.00 O ATOM 0 H GLU A 31 -6.183 -4.702 -10.784 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.564 -5.236 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.795 -6.491 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.575 -5.650 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.775 -7.837 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.525 -6.729 -6.945 1.00 0.00 H new ATOM 536 N ILE A 32 -5.435 -2.875 -7.790 1.00 0.00 N ATOM 537 CA ILE A 32 -5.087 -1.770 -6.839 1.00 0.00 C ATOM 538 C ILE A 32 -6.349 -1.057 -6.204 1.00 0.00 C ATOM 539 O ILE A 32 -6.293 -0.583 -5.067 1.00 0.00 O ATOM 540 CB ILE A 32 -4.055 -0.840 -7.617 1.00 0.00 C ATOM 541 CG1 ILE A 32 -2.789 -0.418 -6.831 1.00 0.00 C ATOM 542 CG2 ILE A 32 -4.597 0.449 -8.268 1.00 0.00 C ATOM 543 CD1 ILE A 32 -1.554 -0.292 -7.749 1.00 0.00 C ATOM 0 H ILE A 32 -5.046 -2.715 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.608 -2.143 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.806 -1.556 -8.401 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.971 0.535 -6.335 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.587 -1.150 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.781 0.979 -8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.359 0.192 -9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.034 1.088 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.689 0.006 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.355 -1.252 -8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.745 0.460 -8.515 1.00 0.00 H new ATOM 555 N THR A 33 -7.468 -1.014 -6.965 1.00 0.00 N ATOM 556 CA THR A 33 -8.797 -0.465 -6.556 1.00 0.00 C ATOM 557 C THR A 33 -9.479 -1.218 -5.370 1.00 0.00 C ATOM 558 O THR A 33 -10.003 -0.579 -4.454 1.00 0.00 O ATOM 559 CB THR A 33 -9.670 -0.247 -7.846 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.352 0.997 -7.733 1.00 0.00 O ATOM 561 CG2 THR A 33 -10.734 -1.316 -8.150 1.00 0.00 C ATOM 0 H THR A 33 -7.478 -1.373 -7.920 1.00 0.00 H new ATOM 0 HA THR A 33 -8.656 0.513 -6.096 1.00 0.00 H new ATOM 0 HB THR A 33 -8.952 -0.294 -8.665 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.898 1.144 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.266 -1.050 -9.063 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.250 -2.284 -8.281 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.440 -1.372 -7.322 1.00 0.00 H new ATOM 569 N MET A 34 -9.459 -2.565 -5.407 1.00 0.00 N ATOM 570 CA MET A 34 -9.942 -3.447 -4.306 1.00 0.00 C ATOM 571 C MET A 34 -9.249 -3.217 -2.929 1.00 0.00 C ATOM 572 O MET A 34 -9.902 -3.300 -1.890 1.00 0.00 O ATOM 573 CB MET A 34 -9.721 -4.910 -4.779 1.00 0.00 C ATOM 574 CG MET A 34 -10.645 -5.954 -4.135 1.00 0.00 C ATOM 575 SD MET A 34 -10.084 -6.339 -2.461 1.00 0.00 S ATOM 576 CE MET A 34 -11.499 -7.256 -1.824 1.00 0.00 C ATOM 0 H MET A 34 -9.104 -3.086 -6.209 1.00 0.00 H new ATOM 0 HA MET A 34 -10.991 -3.214 -4.122 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.854 -4.949 -5.860 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.687 -5.188 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.667 -5.576 -4.106 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.657 -6.861 -4.739 1.00 0.00 H new ATOM 0 HE1 MET A 34 -11.302 -7.562 -0.797 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.385 -6.622 -1.850 1.00 0.00 H new ATOM 0 HE3 MET A 34 -11.667 -8.140 -2.440 1.00 0.00 H new ATOM 586 N ILE A 35 -7.935 -2.930 -2.959 1.00 0.00 N ATOM 587 CA ILE A 35 -7.096 -2.608 -1.767 1.00 0.00 C ATOM 588 C ILE A 35 -7.619 -1.309 -1.069 1.00 0.00 C ATOM 589 O ILE A 35 -7.966 -1.379 0.111 1.00 0.00 O ATOM 590 CB ILE A 35 -5.566 -2.569 -2.143 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.072 -3.829 -2.921 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.679 -2.349 -0.891 1.00 0.00 C ATOM 593 CD1 ILE A 35 -3.664 -3.741 -3.515 1.00 0.00 C ATOM 0 H ILE A 35 -7.404 -2.912 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.189 -3.405 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.465 -1.719 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.108 -4.685 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.774 -4.031 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.630 -2.327 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.943 -1.402 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.840 -3.163 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.428 -4.671 -4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.618 -2.912 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.941 -3.577 -2.716 1.00 0.00 H new ATOM 605 N ALA A 36 -7.721 -0.170 -1.795 1.00 0.00 N ATOM 606 CA ALA A 36 -8.342 1.090 -1.260 1.00 0.00 C ATOM 607 C ALA A 36 -9.796 0.963 -0.702 1.00 0.00 C ATOM 608 O ALA A 36 -10.133 1.628 0.283 1.00 0.00 O ATOM 609 CB ALA A 36 -8.276 2.175 -2.351 1.00 0.00 C ATOM 0 H ALA A 36 -7.384 -0.087 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.753 1.357 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.723 3.096 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.235 2.360 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.822 1.839 -3.232 1.00 0.00 H new ATOM 615 N ASP A 37 -10.627 0.099 -1.317 1.00 0.00 N ATOM 616 CA ASP A 37 -11.989 -0.243 -0.826 1.00 0.00 C ATOM 617 C ASP A 37 -11.992 -1.096 0.484 1.00 0.00 C ATOM 618 O ASP A 37 -12.772 -0.819 1.398 1.00 0.00 O ATOM 619 CB ASP A 37 -12.730 -0.977 -1.979 1.00 0.00 C ATOM 620 CG ASP A 37 -14.256 -0.863 -1.902 1.00 0.00 C ATOM 621 OD1 ASP A 37 -14.975 -1.714 -1.378 1.00 0.00 O ATOM 622 OD2 ASP A 37 -14.717 0.291 -2.482 1.00 0.00 O ATOM 0 H ASP A 37 -10.375 -0.389 -2.177 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.501 0.680 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.392 -0.571 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.452 -2.031 -1.965 1.00 0.00 H new ATOM 628 N GLN A 38 -11.120 -2.122 0.549 1.00 0.00 N ATOM 629 CA GLN A 38 -10.957 -3.021 1.722 1.00 0.00 C ATOM 630 C GLN A 38 -10.591 -2.298 3.058 1.00 0.00 C ATOM 631 O GLN A 38 -11.268 -2.561 4.056 1.00 0.00 O ATOM 632 CB GLN A 38 -9.937 -4.127 1.325 1.00 0.00 C ATOM 633 CG GLN A 38 -9.802 -5.296 2.326 1.00 0.00 C ATOM 634 CD GLN A 38 -8.802 -6.364 1.852 1.00 0.00 C ATOM 635 OE1 GLN A 38 -9.152 -7.282 1.110 1.00 0.00 O ATOM 636 NE2 GLN A 38 -7.544 -6.268 2.259 1.00 0.00 N ATOM 0 H GLN A 38 -10.496 -2.358 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.925 -3.463 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.226 -4.533 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.958 -3.665 1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.482 -4.907 3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.778 -5.757 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.264 -5.504 2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.856 -6.958 1.957 1.00 0.00 H new ATOM 645 N LEU A 39 -9.568 -1.408 3.087 1.00 0.00 N ATOM 646 CA LEU A 39 -9.157 -0.700 4.331 1.00 0.00 C ATOM 647 C LEU A 39 -9.936 0.642 4.496 1.00 0.00 C ATOM 648 O LEU A 39 -11.169 0.630 4.581 1.00 0.00 O ATOM 649 CB LEU A 39 -7.604 -0.799 4.533 1.00 0.00 C ATOM 650 CG LEU A 39 -6.545 0.125 3.856 1.00 0.00 C ATOM 651 CD1 LEU A 39 -5.119 -0.470 3.933 1.00 0.00 C ATOM 652 CD2 LEU A 39 -6.717 0.585 2.427 1.00 0.00 C ATOM 0 H LEU A 39 -9.013 -1.162 2.268 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.484 -1.190 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.437 -0.707 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.332 -1.817 4.255 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.715 1.012 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.415 0.207 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.836 -0.602 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.100 -1.435 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.876 1.218 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.756 -0.282 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.644 1.152 2.336 1.00 0.00 H new ATOM 664 N ASN A 40 -9.228 1.771 4.582 1.00 0.00 N ATOM 665 CA ASN A 40 -9.819 3.126 4.758 1.00 0.00 C ATOM 666 C ASN A 40 -8.812 4.080 4.061 1.00 0.00 C ATOM 667 O ASN A 40 -8.018 4.738 4.741 1.00 0.00 O ATOM 668 CB ASN A 40 -10.022 3.357 6.291 1.00 0.00 C ATOM 669 CG ASN A 40 -10.555 4.707 6.764 1.00 0.00 C ATOM 670 OD1 ASN A 40 -10.177 5.789 6.316 1.00 0.00 O ATOM 671 ND2 ASN A 40 -11.324 4.643 7.829 1.00 0.00 N ATOM 0 H ASN A 40 -8.209 1.783 4.532 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.802 3.285 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.703 2.587 6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.062 3.190 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.617 5.500 8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.627 3.737 8.185 1.00 0.00 H new ATOM 678 N MET A 41 -8.811 4.132 2.707 1.00 0.00 N ATOM 679 CA MET A 41 -7.743 4.868 1.967 1.00 0.00 C ATOM 680 C MET A 41 -8.198 5.435 0.601 1.00 0.00 C ATOM 681 O MET A 41 -9.140 4.938 -0.028 1.00 0.00 O ATOM 682 CB MET A 41 -6.666 3.781 1.723 1.00 0.00 C ATOM 683 CG MET A 41 -5.240 4.142 1.316 1.00 0.00 C ATOM 684 SD MET A 41 -4.649 5.702 1.973 1.00 0.00 S ATOM 685 CE MET A 41 -2.926 5.209 1.954 1.00 0.00 C ATOM 0 H MET A 41 -9.513 3.689 2.114 1.00 0.00 H new ATOM 0 HA MET A 41 -7.414 5.736 2.538 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.594 3.196 2.640 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.056 3.117 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.570 3.347 1.644 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.184 4.176 0.228 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.305 6.044 2.278 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.781 4.366 2.629 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.642 4.917 0.943 1.00 0.00 H new ATOM 695 N GLU A 42 -7.452 6.452 0.126 1.00 0.00 N ATOM 696 CA GLU A 42 -7.532 6.910 -1.289 1.00 0.00 C ATOM 697 C GLU A 42 -6.772 5.888 -2.191 1.00 0.00 C ATOM 698 O GLU A 42 -6.059 5.003 -1.702 1.00 0.00 O ATOM 699 CB GLU A 42 -6.996 8.353 -1.498 1.00 0.00 C ATOM 700 CG GLU A 42 -7.954 9.449 -0.989 1.00 0.00 C ATOM 701 CD GLU A 42 -7.562 10.886 -1.337 1.00 0.00 C ATOM 702 OE1 GLU A 42 -7.393 11.759 -0.488 1.00 0.00 O ATOM 703 OE2 GLU A 42 -7.462 11.092 -2.690 1.00 0.00 O ATOM 0 H GLU A 42 -6.786 6.976 0.695 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.584 6.950 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.039 8.453 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.808 8.511 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.947 9.255 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.030 9.365 0.095 1.00 0.00 H new ATOM 711 N LYS A 43 -7.011 5.924 -3.509 1.00 0.00 N ATOM 712 CA LYS A 43 -6.235 5.088 -4.471 1.00 0.00 C ATOM 713 C LYS A 43 -4.928 5.667 -5.058 1.00 0.00 C ATOM 714 O LYS A 43 -3.978 4.915 -5.292 1.00 0.00 O ATOM 715 CB LYS A 43 -7.061 4.461 -5.578 1.00 0.00 C ATOM 716 CG LYS A 43 -6.526 3.030 -5.884 1.00 0.00 C ATOM 717 CD LYS A 43 -7.144 2.548 -7.213 1.00 0.00 C ATOM 718 CE LYS A 43 -6.666 3.256 -8.501 1.00 0.00 C ATOM 719 NZ LYS A 43 -7.233 2.617 -9.702 1.00 0.00 N ATOM 0 H LYS A 43 -7.724 6.511 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.909 4.312 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.109 4.413 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.013 5.078 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.438 3.040 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.787 2.347 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.940 1.482 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.226 2.661 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.958 4.306 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.577 3.229 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.895 3.113 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.933 1.622 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.271 2.665 -9.663 1.00 0.00 H new ATOM 732 N GLU A 44 -4.910 6.979 -5.345 1.00 0.00 N ATOM 733 CA GLU A 44 -3.692 7.689 -5.876 1.00 0.00 C ATOM 734 C GLU A 44 -2.381 7.373 -5.067 1.00 0.00 C ATOM 735 O GLU A 44 -1.348 7.036 -5.645 1.00 0.00 O ATOM 736 CB GLU A 44 -3.993 9.212 -5.901 1.00 0.00 C ATOM 737 CG GLU A 44 -3.043 10.039 -6.794 1.00 0.00 C ATOM 738 CD GLU A 44 -3.390 11.529 -6.801 1.00 0.00 C ATOM 739 OE1 GLU A 44 -2.890 12.345 -6.027 1.00 0.00 O ATOM 740 OE2 GLU A 44 -4.317 11.843 -7.763 1.00 0.00 O ATOM 0 H GLU A 44 -5.719 7.588 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.492 7.324 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.016 9.361 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.940 9.597 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.018 9.910 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.083 9.656 -7.814 1.00 0.00 H new ATOM 748 N VAL A 45 -2.530 7.398 -3.736 1.00 0.00 N ATOM 749 CA VAL A 45 -1.560 6.904 -2.715 1.00 0.00 C ATOM 750 C VAL A 45 -1.052 5.439 -2.887 1.00 0.00 C ATOM 751 O VAL A 45 0.137 5.204 -2.697 1.00 0.00 O ATOM 752 CB VAL A 45 -2.183 7.038 -1.287 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.437 8.481 -0.877 1.00 0.00 C ATOM 754 CG2 VAL A 45 -3.534 6.326 -1.119 1.00 0.00 C ATOM 0 H VAL A 45 -3.372 7.782 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.684 7.537 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.424 6.570 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.870 8.504 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.496 9.031 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.128 8.943 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.896 6.468 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.255 6.743 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.411 5.261 -1.315 1.00 0.00 H new ATOM 764 N ILE A 46 -1.945 4.476 -3.193 1.00 0.00 N ATOM 765 CA ILE A 46 -1.591 3.030 -3.393 1.00 0.00 C ATOM 766 C ILE A 46 -0.602 2.815 -4.569 1.00 0.00 C ATOM 767 O ILE A 46 0.434 2.188 -4.372 1.00 0.00 O ATOM 768 CB ILE A 46 -2.759 1.985 -3.584 1.00 0.00 C ATOM 769 CG1 ILE A 46 -4.139 2.316 -2.982 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.242 0.574 -3.194 1.00 0.00 C ATOM 771 CD1 ILE A 46 -4.393 2.013 -1.525 1.00 0.00 C ATOM 0 H ILE A 46 -2.940 4.666 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.150 2.818 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.006 2.030 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.317 3.381 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.889 1.782 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.042 -0.155 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.400 0.306 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.920 0.579 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.410 2.306 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.267 0.945 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.686 2.569 -0.909 1.00 0.00 H new ATOM 783 N ARG A 47 -0.962 3.302 -5.769 1.00 0.00 N ATOM 784 CA ARG A 47 -0.086 3.248 -6.977 1.00 0.00 C ATOM 785 C ARG A 47 1.300 3.946 -6.750 1.00 0.00 C ATOM 786 O ARG A 47 2.322 3.402 -7.164 1.00 0.00 O ATOM 787 CB ARG A 47 -0.858 3.778 -8.215 1.00 0.00 C ATOM 788 CG ARG A 47 -0.143 3.513 -9.564 1.00 0.00 C ATOM 789 CD ARG A 47 -0.904 3.992 -10.815 1.00 0.00 C ATOM 790 NE ARG A 47 -2.012 3.084 -11.214 1.00 0.00 N ATOM 791 CZ ARG A 47 -3.322 3.397 -11.210 1.00 0.00 C ATOM 792 NH1 ARG A 47 -3.811 4.566 -10.802 1.00 0.00 N ATOM 793 NH2 ARG A 47 -4.174 2.487 -11.642 1.00 0.00 N ATOM 0 H ARG A 47 -1.864 3.746 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 47 0.168 2.207 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.844 3.315 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.013 4.851 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.832 4.001 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.038 2.442 -9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.309 4.986 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.203 4.085 -11.645 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.758 2.144 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.180 5.293 -10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.817 4.735 -10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.833 1.581 -11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.174 2.689 -11.653 1.00 0.00 H new ATOM 806 N VAL A 48 1.308 5.109 -6.066 1.00 0.00 N ATOM 807 CA VAL A 48 2.526 5.833 -5.609 1.00 0.00 C ATOM 808 C VAL A 48 3.363 4.999 -4.573 1.00 0.00 C ATOM 809 O VAL A 48 4.565 4.821 -4.790 1.00 0.00 O ATOM 810 CB VAL A 48 2.055 7.275 -5.172 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.575 7.803 -3.827 1.00 0.00 C ATOM 812 CG2 VAL A 48 2.312 8.311 -6.282 1.00 0.00 C ATOM 0 H VAL A 48 0.446 5.589 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 48 3.262 5.964 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 48 0.986 7.138 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.176 8.802 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.255 7.136 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.664 7.846 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.976 9.293 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.378 8.349 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.764 8.026 -7.180 1.00 0.00 H new ATOM 822 N TRP A 49 2.749 4.496 -3.474 1.00 0.00 N ATOM 823 CA TRP A 49 3.423 3.605 -2.484 1.00 0.00 C ATOM 824 C TRP A 49 3.979 2.291 -3.115 1.00 0.00 C ATOM 825 O TRP A 49 5.117 1.930 -2.825 1.00 0.00 O ATOM 826 CB TRP A 49 2.471 3.282 -1.294 1.00 0.00 C ATOM 827 CG TRP A 49 3.214 2.757 -0.054 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.939 3.546 0.861 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.554 1.448 0.241 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.725 2.757 1.719 1.00 0.00 N ATOM 831 CE2 TRP A 49 4.486 1.463 1.304 1.00 0.00 C ATOM 832 CE3 TRP A 49 3.236 0.234 -0.412 1.00 0.00 C ATOM 833 CZ2 TRP A 49 5.142 0.273 1.686 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.919 -0.927 -0.040 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.898 -0.888 0.956 1.00 0.00 C ATOM 0 H TRP A 49 1.775 4.693 -3.245 1.00 0.00 H new ATOM 0 HA TRP A 49 4.286 4.158 -2.113 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.917 4.181 -1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.739 2.540 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.896 4.624 0.899 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.333 3.070 2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.480 0.205 -1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.819 0.263 2.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.688 -1.863 -0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.477 -1.776 1.164 1.00 0.00 H new ATOM 846 N PHE A 50 3.181 1.589 -3.945 1.00 0.00 N ATOM 847 CA PHE A 50 3.613 0.399 -4.715 1.00 0.00 C ATOM 848 C PHE A 50 4.777 0.683 -5.734 1.00 0.00 C ATOM 849 O PHE A 50 5.621 -0.195 -5.927 1.00 0.00 O ATOM 850 CB PHE A 50 2.333 -0.257 -5.332 1.00 0.00 C ATOM 851 CG PHE A 50 1.460 -1.229 -4.475 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.840 -1.699 -3.218 1.00 0.00 C ATOM 853 CD2 PHE A 50 0.298 -1.754 -5.041 1.00 0.00 C ATOM 854 CE1 PHE A 50 1.185 -2.766 -2.618 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.407 -2.775 -4.416 1.00 0.00 C ATOM 856 CZ PHE A 50 0.076 -3.335 -3.237 1.00 0.00 C ATOM 0 H PHE A 50 2.204 1.834 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 50 4.085 -0.322 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.684 0.552 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.646 -0.803 -6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.660 -1.223 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.060 -1.360 -5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.535 -3.154 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.331 -3.134 -4.845 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.404 -4.202 -2.807 1.00 0.00 H new ATOM 866 N CYS A 51 4.849 1.893 -6.340 1.00 0.00 N ATOM 867 CA CYS A 51 6.019 2.364 -7.145 1.00 0.00 C ATOM 868 C CYS A 51 7.351 2.515 -6.333 1.00 0.00 C ATOM 869 O CYS A 51 8.427 2.169 -6.828 1.00 0.00 O ATOM 870 CB CYS A 51 5.680 3.740 -7.774 1.00 0.00 C ATOM 871 SG CYS A 51 6.602 3.958 -9.333 1.00 0.00 S ATOM 0 H CYS A 51 4.096 2.579 -6.288 1.00 0.00 H new ATOM 0 HA CYS A 51 6.193 1.592 -7.895 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.609 3.809 -7.963 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.933 4.540 -7.078 1.00 0.00 H new ATOM 0 HG CYS A 51 6.309 5.113 -9.853 1.00 0.00 H new ATOM 877 N ASN A 52 7.239 2.991 -5.076 1.00 0.00 N ATOM 878 CA ASN A 52 8.377 3.215 -4.146 1.00 0.00 C ATOM 879 C ASN A 52 8.814 1.870 -3.480 1.00 0.00 C ATOM 880 O ASN A 52 10.004 1.555 -3.545 1.00 0.00 O ATOM 881 CB ASN A 52 7.922 4.315 -3.141 1.00 0.00 C ATOM 882 CG ASN A 52 9.015 4.928 -2.244 1.00 0.00 C ATOM 883 OD1 ASN A 52 10.206 4.623 -2.323 1.00 0.00 O ATOM 884 ND2 ASN A 52 8.610 5.845 -1.380 1.00 0.00 N ATOM 0 H ASN A 52 6.338 3.237 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 52 9.272 3.566 -4.659 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.455 5.121 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.152 3.890 -2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.286 6.306 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.622 6.090 -1.323 1.00 0.00 H new ATOM 891 N ARG A 53 7.890 1.066 -2.902 1.00 0.00 N ATOM 892 CA ARG A 53 8.149 -0.311 -2.426 1.00 0.00 C ATOM 893 C ARG A 53 8.869 -1.277 -3.413 1.00 0.00 C ATOM 894 O ARG A 53 9.786 -1.983 -2.997 1.00 0.00 O ATOM 895 CB ARG A 53 6.750 -0.855 -2.050 1.00 0.00 C ATOM 896 CG ARG A 53 6.718 -2.308 -1.558 1.00 0.00 C ATOM 897 CD ARG A 53 7.649 -2.570 -0.378 1.00 0.00 C ATOM 898 NE ARG A 53 7.326 -3.875 0.228 1.00 0.00 N ATOM 899 CZ ARG A 53 7.132 -4.116 1.522 1.00 0.00 C ATOM 900 NH1 ARG A 53 7.248 -3.196 2.462 1.00 0.00 N ATOM 901 NH2 ARG A 53 6.779 -5.335 1.866 1.00 0.00 N ATOM 0 H ARG A 53 6.926 1.363 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 53 8.862 -0.263 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.328 -0.217 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.100 -0.770 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.698 -2.564 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.992 -2.968 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.687 -2.560 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.544 -1.778 0.363 1.00 0.00 H new ATOM 0 HE ARG A 53 7.243 -4.670 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.499 -2.240 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.087 -3.442 3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.664 -6.053 1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.620 -5.562 2.848 1.00 0.00 H new ATOM 914 N ARG A 54 8.430 -1.338 -4.681 1.00 0.00 N ATOM 915 CA ARG A 54 9.105 -2.158 -5.735 1.00 0.00 C ATOM 916 C ARG A 54 10.644 -1.875 -5.934 1.00 0.00 C ATOM 917 O ARG A 54 11.371 -2.768 -6.376 1.00 0.00 O ATOM 918 CB ARG A 54 8.280 -2.050 -7.049 1.00 0.00 C ATOM 919 CG ARG A 54 8.614 -3.054 -8.178 1.00 0.00 C ATOM 920 CD ARG A 54 8.351 -4.531 -7.819 1.00 0.00 C ATOM 921 NE ARG A 54 8.614 -5.425 -8.972 1.00 0.00 N ATOM 922 CZ ARG A 54 8.725 -6.766 -8.892 1.00 0.00 C ATOM 923 NH1 ARG A 54 8.623 -7.455 -7.757 1.00 0.00 N ATOM 924 NH2 ARG A 54 8.950 -7.438 -10.006 1.00 0.00 N ATOM 0 H ARG A 54 7.609 -0.832 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 54 9.113 -3.192 -5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.226 -2.164 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.406 -1.042 -7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.027 -2.798 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.664 -2.940 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.984 -4.821 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.317 -4.649 -7.494 1.00 0.00 H new ATOM 0 HE ARG A 54 8.718 -4.995 -9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.451 -6.967 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.717 -8.471 -7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.035 -6.941 -10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.039 -8.454 -9.980 1.00 0.00 H new