USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 499 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 48 TYR OH : rot 180:sc= 0.882 USER MOD Set 1.2: A 52 THR OG1 : rot 104:sc= 1.63 USER MOD Single : A 14 SER OG : rot 17:sc= 0.171 USER MOD Single : A 16 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.21) USER MOD Single : A 21 SER OG : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 77:sc= 1.25 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.028) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 0.72 (180deg=0.524) USER MOD Single : A 35 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-1.2) USER MOD Single : A 36 MET CE :methyl 176:sc= -5.12! (180deg=-5.41!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 153:sc= -1.86! (180deg=-2.08!) USER MOD Single : A 64 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00789) USER MOD Single : A 72 ASN : amide:sc= 0.656 K(o=0.66,f=-6.8!) USER MOD Single : A 73 THR OG1 : rot -134:sc= 1.3 USER MOD Single : A 74 LYS NZ :NH3+ -173:sc=-0.000283 (180deg=-0.0197) USER MOD Single : A 77 SER OG : rot 169:sc= 0.32 USER MOD Single : A 78 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.2!) USER MOD Single : A 82 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= -0.0239 (180deg=-0.094) USER MOD ----------------------------------------------------------------- ATOM 179 N SER A 14 -5.549 11.646 -6.313 1.00 72.34 N ATOM 180 CA SER A 14 -4.437 12.546 -6.040 1.00 32.20 C ATOM 181 C SER A 14 -3.148 11.721 -6.118 1.00 11.01 C ATOM 182 O SER A 14 -3.163 10.540 -6.476 1.00 42.23 O ATOM 183 CB SER A 14 -4.550 13.229 -4.663 1.00 2.31 C ATOM 184 OG SER A 14 -5.863 13.631 -4.349 1.00 22.23 O ATOM 0 HA SER A 14 -4.442 13.349 -6.777 1.00 32.20 H new ATOM 0 HB2 SER A 14 -4.193 12.544 -3.894 1.00 2.31 H new ATOM 0 HB3 SER A 14 -3.895 14.100 -4.642 1.00 2.31 H new ATOM 0 HG SER A 14 -6.497 13.162 -4.931 1.00 22.23 H new ATOM 189 N GLU A 15 -2.020 12.348 -5.808 1.00 64.55 N ATOM 190 CA GLU A 15 -0.693 11.750 -5.736 1.00 55.04 C ATOM 191 C GLU A 15 -0.455 10.965 -4.435 1.00 40.03 C ATOM 192 O GLU A 15 0.693 10.811 -4.016 1.00 64.54 O ATOM 193 CB GLU A 15 0.339 12.867 -5.974 1.00 34.11 C ATOM 194 CG GLU A 15 0.381 13.947 -4.876 1.00 34.33 C ATOM 195 CD GLU A 15 0.797 15.299 -5.457 1.00 32.14 C ATOM 196 OE1 GLU A 15 -0.053 15.968 -6.095 1.00 4.13 O ATOM 197 OE2 GLU A 15 1.975 15.700 -5.319 1.00 15.01 O ATOM 0 H GLU A 15 -2.006 13.344 -5.588 1.00 64.55 H new ATOM 0 HA GLU A 15 -0.590 10.993 -6.513 1.00 55.04 H new ATOM 0 HB2 GLU A 15 1.328 12.417 -6.061 1.00 34.11 H new ATOM 0 HB3 GLU A 15 0.122 13.346 -6.929 1.00 34.11 H new ATOM 0 HG2 GLU A 15 -0.600 14.034 -4.408 1.00 34.33 H new ATOM 0 HG3 GLU A 15 1.082 13.651 -4.095 1.00 34.33 H new ATOM 202 N ASN A 16 -1.498 10.509 -3.730 1.00 0.11 N ATOM 203 CA ASN A 16 -1.360 9.705 -2.508 1.00 35.13 C ATOM 204 C ASN A 16 -2.218 8.444 -2.699 1.00 23.42 C ATOM 205 O ASN A 16 -3.076 8.161 -1.870 1.00 35.20 O ATOM 206 CB ASN A 16 -1.642 10.488 -1.183 1.00 1.21 C ATOM 207 CG ASN A 16 -1.306 11.975 -1.169 1.00 74.33 C ATOM 208 OD1 ASN A 16 -2.014 12.755 -0.547 1.00 34.20 O ATOM 209 ND2 ASN A 16 -0.233 12.419 -1.802 1.00 20.43 N ATOM 0 H ASN A 16 -2.467 10.688 -3.993 1.00 0.11 H new ATOM 0 HA ASN A 16 -0.317 9.420 -2.371 1.00 35.13 H new ATOM 0 HB2 ASN A 16 -2.700 10.378 -0.944 1.00 1.21 H new ATOM 0 HB3 ASN A 16 -1.082 10.007 -0.381 1.00 1.21 H new ATOM 0 HD21 ASN A 16 0.003 13.411 -1.771 1.00 20.43 H new ATOM 0 HD22 ASN A 16 0.358 11.770 -2.321 1.00 20.43 H new ATOM 215 N ARG A 17 -2.066 7.717 -3.819 1.00 54.23 N ATOM 216 CA ARG A 17 -2.860 6.537 -4.189 1.00 64.53 C ATOM 217 C ARG A 17 -1.930 5.391 -4.582 1.00 62.12 C ATOM 218 O ARG A 17 -0.955 5.623 -5.301 1.00 0.22 O ATOM 219 CB ARG A 17 -3.813 6.910 -5.338 1.00 1.12 C ATOM 220 CG ARG A 17 -4.779 5.774 -5.720 1.00 72.21 C ATOM 221 CD ARG A 17 -5.581 6.177 -6.961 1.00 34.11 C ATOM 222 NE ARG A 17 -6.309 5.036 -7.547 1.00 74.11 N ATOM 223 CZ ARG A 17 -6.712 4.945 -8.824 1.00 34.41 C ATOM 224 NH1 ARG A 17 -6.371 5.859 -9.721 1.00 54.13 N ATOM 225 NH2 ARG A 17 -7.480 3.939 -9.212 1.00 24.51 N ATOM 0 H ARG A 17 -1.359 7.946 -4.517 1.00 54.23 H new ATOM 0 HA ARG A 17 -3.458 6.204 -3.340 1.00 64.53 H new ATOM 0 HB2 ARG A 17 -4.391 7.788 -5.051 1.00 1.12 H new ATOM 0 HB3 ARG A 17 -3.225 7.188 -6.213 1.00 1.12 H new ATOM 0 HG2 ARG A 17 -4.220 4.859 -5.917 1.00 72.21 H new ATOM 0 HG3 ARG A 17 -5.454 5.563 -4.891 1.00 72.21 H new ATOM 0 HD2 ARG A 17 -6.290 6.961 -6.695 1.00 34.11 H new ATOM 0 HD3 ARG A 17 -4.907 6.598 -7.707 1.00 34.11 H new ATOM 0 HE ARG A 17 -6.524 4.252 -6.931 1.00 74.11 H new ATOM 0 HH11 ARG A 17 -5.791 6.652 -9.446 1.00 54.13 H new ATOM 0 HH12 ARG A 17 -6.689 5.770 -10.686 1.00 54.13 H new ATOM 0 HH21 ARG A 17 -7.768 3.228 -8.539 1.00 24.51 H new ATOM 0 HH22 ARG A 17 -7.784 3.874 -10.184 1.00 24.51 H new ATOM 236 N VAL A 18 -2.222 4.167 -4.139 1.00 1.03 N ATOM 237 CA VAL A 18 -1.398 2.979 -4.364 1.00 12.22 C ATOM 238 C VAL A 18 -2.258 1.787 -4.759 1.00 20.40 C ATOM 239 O VAL A 18 -3.489 1.805 -4.672 1.00 21.21 O ATOM 240 CB VAL A 18 -0.503 2.653 -3.142 1.00 73.54 C ATOM 241 CG1 VAL A 18 0.679 3.613 -3.081 1.00 44.25 C ATOM 242 CG2 VAL A 18 -1.246 2.590 -1.803 1.00 2.40 C ATOM 0 H VAL A 18 -3.064 3.970 -3.598 1.00 1.03 H new ATOM 0 HA VAL A 18 -0.728 3.200 -5.195 1.00 12.22 H new ATOM 0 HB VAL A 18 -0.139 1.638 -3.301 1.00 73.54 H new ATOM 0 HG11 VAL A 18 1.299 3.372 -2.218 1.00 44.25 H new ATOM 0 HG12 VAL A 18 1.272 3.519 -3.991 1.00 44.25 H new ATOM 0 HG13 VAL A 18 0.313 4.636 -2.991 1.00 44.25 H new ATOM 0 HG21 VAL A 18 -0.540 2.356 -1.006 1.00 2.40 H new ATOM 0 HG22 VAL A 18 -1.715 3.553 -1.602 1.00 2.40 H new ATOM 0 HG23 VAL A 18 -2.012 1.816 -1.848 1.00 2.40 H new ATOM 252 N VAL A 19 -1.582 0.726 -5.184 1.00 51.44 N ATOM 253 CA VAL A 19 -2.157 -0.524 -5.624 1.00 60.12 C ATOM 254 C VAL A 19 -1.382 -1.635 -4.931 1.00 60.44 C ATOM 255 O VAL A 19 -0.160 -1.544 -4.778 1.00 1.42 O ATOM 256 CB VAL A 19 -2.039 -0.622 -7.164 1.00 41.44 C ATOM 257 CG1 VAL A 19 -2.747 -1.865 -7.720 1.00 32.21 C ATOM 258 CG2 VAL A 19 -2.671 0.612 -7.839 1.00 40.31 C ATOM 0 H VAL A 19 -0.563 0.722 -5.230 1.00 51.44 H new ATOM 0 HA VAL A 19 -3.214 -0.601 -5.371 1.00 60.12 H new ATOM 0 HB VAL A 19 -0.973 -0.682 -7.383 1.00 41.44 H new ATOM 0 HG11 VAL A 19 -2.638 -1.892 -8.804 1.00 32.21 H new ATOM 0 HG12 VAL A 19 -2.301 -2.761 -7.288 1.00 32.21 H new ATOM 0 HG13 VAL A 19 -3.806 -1.826 -7.463 1.00 32.21 H new ATOM 0 HG21 VAL A 19 -2.577 0.523 -8.921 1.00 40.31 H new ATOM 0 HG22 VAL A 19 -3.726 0.674 -7.570 1.00 40.31 H new ATOM 0 HG23 VAL A 19 -2.158 1.513 -7.503 1.00 40.31 H new ATOM 268 N VAL A 20 -2.080 -2.708 -4.572 1.00 31.33 N ATOM 269 CA VAL A 20 -1.483 -3.927 -4.057 1.00 61.23 C ATOM 270 C VAL A 20 -1.828 -5.034 -5.048 1.00 51.55 C ATOM 271 O VAL A 20 -2.891 -5.005 -5.665 1.00 20.34 O ATOM 272 CB VAL A 20 -1.982 -4.200 -2.627 1.00 72.31 C ATOM 273 CG1 VAL A 20 -1.300 -5.439 -2.034 1.00 33.04 C ATOM 274 CG2 VAL A 20 -1.686 -3.012 -1.704 1.00 22.22 C ATOM 0 H VAL A 20 -3.097 -2.751 -4.634 1.00 31.33 H new ATOM 0 HA VAL A 20 -0.399 -3.855 -3.972 1.00 61.23 H new ATOM 0 HB VAL A 20 -3.058 -4.361 -2.694 1.00 72.31 H new ATOM 0 HG11 VAL A 20 -1.670 -5.609 -1.023 1.00 33.04 H new ATOM 0 HG12 VAL A 20 -1.522 -6.308 -2.653 1.00 33.04 H new ATOM 0 HG13 VAL A 20 -0.222 -5.281 -2.003 1.00 33.04 H new ATOM 0 HG21 VAL A 20 -2.049 -3.232 -0.700 1.00 22.22 H new ATOM 0 HG22 VAL A 20 -0.611 -2.836 -1.671 1.00 22.22 H new ATOM 0 HG23 VAL A 20 -2.187 -2.122 -2.084 1.00 22.22 H new ATOM 284 N SER A 21 -0.944 -6.008 -5.247 1.00 64.21 N ATOM 285 CA SER A 21 -1.126 -7.088 -6.204 1.00 5.34 C ATOM 286 C SER A 21 -0.687 -8.396 -5.570 1.00 33.20 C ATOM 287 O SER A 21 0.091 -8.385 -4.619 1.00 3.30 O ATOM 288 CB SER A 21 -0.256 -6.825 -7.427 1.00 23.41 C ATOM 289 OG SER A 21 -0.473 -5.553 -8.016 1.00 51.41 O ATOM 0 H SER A 21 -0.064 -6.067 -4.735 1.00 64.21 H new ATOM 0 HA SER A 21 -2.175 -7.145 -6.495 1.00 5.34 H new ATOM 0 HB2 SER A 21 0.793 -6.910 -7.141 1.00 23.41 H new ATOM 0 HB3 SER A 21 -0.447 -7.598 -8.171 1.00 23.41 H new ATOM 0 HG SER A 21 -0.007 -5.507 -8.877 1.00 51.41 H new ATOM 294 N GLY A 22 -1.136 -9.520 -6.124 1.00 13.21 N ATOM 295 CA GLY A 22 -0.751 -10.846 -5.668 1.00 41.13 C ATOM 296 C GLY A 22 -1.468 -11.283 -4.395 1.00 30.22 C ATOM 297 O GLY A 22 -1.060 -12.265 -3.779 1.00 64.14 O ATOM 0 H GLY A 22 -1.785 -9.532 -6.911 1.00 13.21 H new ATOM 0 HA2 GLY A 22 -0.958 -11.568 -6.458 1.00 41.13 H new ATOM 0 HA3 GLY A 22 0.325 -10.864 -5.494 1.00 41.13 H new ATOM 301 N LEU A 23 -2.521 -10.565 -4.000 1.00 14.52 N ATOM 302 CA LEU A 23 -3.275 -10.850 -2.789 1.00 24.03 C ATOM 303 C LEU A 23 -3.849 -12.269 -2.860 1.00 34.21 C ATOM 304 O LEU A 23 -4.208 -12.725 -3.952 1.00 53.14 O ATOM 305 CB LEU A 23 -4.371 -9.787 -2.631 1.00 71.24 C ATOM 306 CG LEU A 23 -3.784 -8.463 -2.106 1.00 63.23 C ATOM 307 CD1 LEU A 23 -4.516 -7.265 -2.708 1.00 40.44 C ATOM 308 CD2 LEU A 23 -3.805 -8.430 -0.575 1.00 72.41 C ATOM 0 H LEU A 23 -2.874 -9.762 -4.521 1.00 14.52 H new ATOM 0 HA LEU A 23 -2.630 -10.807 -1.911 1.00 24.03 H new ATOM 0 HB2 LEU A 23 -4.859 -9.617 -3.591 1.00 71.24 H new ATOM 0 HB3 LEU A 23 -5.136 -10.148 -1.944 1.00 71.24 H new ATOM 0 HG LEU A 23 -2.743 -8.399 -2.422 1.00 63.23 H new ATOM 0 HD11 LEU A 23 -4.083 -6.342 -2.322 1.00 40.44 H new ATOM 0 HD12 LEU A 23 -4.417 -7.286 -3.793 1.00 40.44 H new ATOM 0 HD13 LEU A 23 -5.571 -7.311 -2.439 1.00 40.44 H new ATOM 0 HD21 LEU A 23 -3.386 -7.486 -0.226 1.00 72.41 H new ATOM 0 HD22 LEU A 23 -4.832 -8.523 -0.223 1.00 72.41 H new ATOM 0 HD23 LEU A 23 -3.212 -9.257 -0.185 1.00 72.41 H new ATOM 319 N PRO A 24 -3.920 -12.980 -1.723 1.00 71.01 N ATOM 320 CA PRO A 24 -4.414 -14.351 -1.689 1.00 23.45 C ATOM 321 C PRO A 24 -5.945 -14.335 -1.870 1.00 70.12 C ATOM 322 O PRO A 24 -6.551 -13.258 -1.845 1.00 73.33 O ATOM 323 CB PRO A 24 -3.954 -14.869 -0.324 1.00 73.31 C ATOM 324 CG PRO A 24 -4.072 -13.639 0.549 1.00 3.23 C ATOM 325 CD PRO A 24 -3.719 -12.484 -0.365 1.00 63.24 C ATOM 0 HA PRO A 24 -4.040 -14.998 -2.483 1.00 23.45 H new ATOM 0 HB2 PRO A 24 -4.584 -15.683 0.034 1.00 73.31 H new ATOM 0 HB3 PRO A 24 -2.932 -15.247 -0.357 1.00 73.31 H new ATOM 0 HG2 PRO A 24 -5.080 -13.533 0.950 1.00 3.23 H new ATOM 0 HG3 PRO A 24 -3.394 -13.691 1.401 1.00 3.23 H new ATOM 0 HD2 PRO A 24 -4.352 -11.619 -0.166 1.00 63.24 H new ATOM 0 HD3 PRO A 24 -2.688 -12.165 -0.213 1.00 63.24 H new ATOM 330 N PRO A 25 -6.614 -15.492 -2.036 1.00 14.53 N ATOM 331 CA PRO A 25 -8.010 -15.491 -2.456 1.00 32.24 C ATOM 332 C PRO A 25 -8.947 -14.905 -1.399 1.00 42.54 C ATOM 333 O PRO A 25 -10.081 -14.561 -1.720 1.00 14.32 O ATOM 334 CB PRO A 25 -8.368 -16.944 -2.765 1.00 41.43 C ATOM 335 CG PRO A 25 -7.347 -17.760 -1.978 1.00 21.15 C ATOM 336 CD PRO A 25 -6.132 -16.850 -1.829 1.00 3.13 C ATOM 0 HA PRO A 25 -8.134 -14.852 -3.330 1.00 32.24 H new ATOM 0 HB2 PRO A 25 -9.387 -17.177 -2.456 1.00 41.43 H new ATOM 0 HB3 PRO A 25 -8.304 -17.151 -3.833 1.00 41.43 H new ATOM 0 HG2 PRO A 25 -7.742 -18.051 -1.005 1.00 21.15 H new ATOM 0 HG3 PRO A 25 -7.088 -18.679 -2.504 1.00 21.15 H new ATOM 0 HD2 PRO A 25 -5.684 -16.958 -0.841 1.00 3.13 H new ATOM 0 HD3 PRO A 25 -5.363 -17.105 -2.558 1.00 3.13 H new ATOM 341 N SER A 26 -8.494 -14.773 -0.157 1.00 43.13 N ATOM 342 CA SER A 26 -9.300 -14.427 1.000 1.00 53.44 C ATOM 343 C SER A 26 -8.852 -13.093 1.626 1.00 11.11 C ATOM 344 O SER A 26 -9.150 -12.820 2.788 1.00 11.35 O ATOM 345 CB SER A 26 -9.378 -15.656 1.932 1.00 31.43 C ATOM 346 OG SER A 26 -8.485 -16.728 1.613 1.00 42.11 O ATOM 0 H SER A 26 -7.511 -14.911 0.077 1.00 43.13 H new ATOM 0 HA SER A 26 -10.332 -14.209 0.724 1.00 53.44 H new ATOM 0 HB2 SER A 26 -9.177 -15.330 2.952 1.00 31.43 H new ATOM 0 HB3 SER A 26 -10.398 -16.039 1.915 1.00 31.43 H new ATOM 0 HG SER A 26 -7.579 -16.497 1.905 1.00 42.11 H new ATOM 351 N GLY A 27 -8.154 -12.248 0.858 1.00 35.01 N ATOM 352 CA GLY A 27 -7.722 -10.917 1.254 1.00 53.50 C ATOM 353 C GLY A 27 -8.614 -9.840 0.666 1.00 40.34 C ATOM 354 O GLY A 27 -8.426 -9.483 -0.497 1.00 72.24 O ATOM 0 H GLY A 27 -7.867 -12.489 -0.091 1.00 35.01 H new ATOM 0 HA2 GLY A 27 -7.728 -10.841 2.341 1.00 53.50 H new ATOM 0 HA3 GLY A 27 -6.694 -10.756 0.929 1.00 53.50 H new ATOM 358 N SER A 28 -9.551 -9.332 1.467 1.00 62.31 N ATOM 359 CA SER A 28 -10.451 -8.242 1.132 1.00 12.31 C ATOM 360 C SER A 28 -9.906 -6.883 1.624 1.00 43.10 C ATOM 361 O SER A 28 -8.851 -6.814 2.261 1.00 22.21 O ATOM 362 CB SER A 28 -11.811 -8.508 1.780 1.00 44.13 C ATOM 363 OG SER A 28 -12.298 -9.833 1.662 1.00 43.23 O ATOM 0 H SER A 28 -9.706 -9.690 2.410 1.00 62.31 H new ATOM 0 HA SER A 28 -10.544 -8.192 0.047 1.00 12.31 H new ATOM 0 HB2 SER A 28 -11.744 -8.258 2.839 1.00 44.13 H new ATOM 0 HB3 SER A 28 -12.542 -7.831 1.338 1.00 44.13 H new ATOM 0 HG SER A 28 -13.168 -9.903 2.107 1.00 43.23 H new ATOM 368 N TRP A 29 -10.639 -5.786 1.371 1.00 43.30 N ATOM 369 CA TRP A 29 -10.217 -4.413 1.681 1.00 2.33 C ATOM 370 C TRP A 29 -10.014 -4.192 3.171 1.00 20.23 C ATOM 371 O TRP A 29 -9.158 -3.397 3.551 1.00 62.32 O ATOM 372 CB TRP A 29 -11.213 -3.378 1.150 1.00 62.40 C ATOM 373 CG TRP A 29 -12.644 -3.562 1.524 1.00 74.21 C ATOM 374 CD1 TRP A 29 -13.580 -4.095 0.712 1.00 13.42 C ATOM 375 CD2 TRP A 29 -13.325 -3.203 2.766 1.00 33.42 C ATOM 376 NE1 TRP A 29 -14.768 -4.200 1.399 1.00 71.25 N ATOM 377 CE2 TRP A 29 -14.679 -3.643 2.660 1.00 22.25 C ATOM 378 CE3 TRP A 29 -12.945 -2.567 3.972 1.00 2.35 C ATOM 379 CZ2 TRP A 29 -15.601 -3.472 3.703 1.00 63.14 C ATOM 380 CZ3 TRP A 29 -13.876 -2.366 5.009 1.00 2.22 C ATOM 381 CH2 TRP A 29 -15.202 -2.809 4.874 1.00 43.34 C ATOM 0 H TRP A 29 -11.561 -5.832 0.936 1.00 43.30 H new ATOM 0 HA TRP A 29 -9.260 -4.278 1.178 1.00 2.33 H new ATOM 0 HB2 TRP A 29 -10.896 -2.394 1.496 1.00 62.40 H new ATOM 0 HB3 TRP A 29 -11.146 -3.370 0.062 1.00 62.40 H new ATOM 0 HD1 TRP A 29 -13.422 -4.392 -0.314 1.00 13.42 H new ATOM 0 HE1 TRP A 29 -15.610 -4.635 1.023 1.00 71.25 H new ATOM 0 HE3 TRP A 29 -11.926 -2.231 4.099 1.00 2.35 H new ATOM 0 HZ2 TRP A 29 -16.609 -3.847 3.606 1.00 63.14 H new ATOM 0 HZ3 TRP A 29 -13.568 -1.867 5.916 1.00 2.22 H new ATOM 0 HH2 TRP A 29 -15.913 -2.640 5.669 1.00 43.34 H new ATOM 391 N GLN A 30 -10.799 -4.848 4.025 1.00 64.14 N ATOM 392 CA GLN A 30 -10.731 -4.573 5.446 1.00 41.44 C ATOM 393 C GLN A 30 -9.409 -5.105 5.989 1.00 20.35 C ATOM 394 O GLN A 30 -8.706 -4.368 6.673 1.00 41.40 O ATOM 395 CB GLN A 30 -11.975 -5.126 6.148 1.00 11.33 C ATOM 396 CG GLN A 30 -12.164 -4.513 7.541 1.00 12.42 C ATOM 397 CD GLN A 30 -11.650 -5.458 8.612 1.00 3.41 C ATOM 398 OE1 GLN A 30 -12.404 -6.281 9.136 1.00 43.51 O ATOM 399 NE2 GLN A 30 -10.362 -5.395 8.874 1.00 75.14 N ATOM 0 H GLN A 30 -11.477 -5.561 3.757 1.00 64.14 H new ATOM 0 HA GLN A 30 -10.740 -3.501 5.644 1.00 41.44 H new ATOM 0 HB2 GLN A 30 -12.856 -4.923 5.539 1.00 11.33 H new ATOM 0 HB3 GLN A 30 -11.891 -6.209 6.236 1.00 11.33 H new ATOM 0 HG2 GLN A 30 -11.634 -3.563 7.601 1.00 12.42 H new ATOM 0 HG3 GLN A 30 -13.219 -4.301 7.711 1.00 12.42 H new ATOM 0 HE21 GLN A 30 -9.781 -4.694 8.413 1.00 75.14 H new ATOM 0 HE22 GLN A 30 -9.944 -6.047 9.538 1.00 75.14 H new ATOM 406 N ASP A 31 -9.032 -6.339 5.638 1.00 44.34 N ATOM 407 CA ASP A 31 -7.716 -6.863 6.003 1.00 74.04 C ATOM 408 C ASP A 31 -6.626 -6.053 5.305 1.00 34.33 C ATOM 409 O ASP A 31 -5.575 -5.846 5.899 1.00 32.44 O ATOM 410 CB ASP A 31 -7.543 -8.349 5.646 1.00 34.31 C ATOM 411 CG ASP A 31 -7.886 -9.318 6.776 1.00 24.24 C ATOM 412 OD1 ASP A 31 -7.456 -9.076 7.931 1.00 73.23 O ATOM 413 OD2 ASP A 31 -8.546 -10.350 6.499 1.00 15.21 O ATOM 0 H ASP A 31 -9.614 -6.986 5.107 1.00 44.34 H new ATOM 0 HA ASP A 31 -7.631 -6.774 7.086 1.00 74.04 H new ATOM 0 HB2 ASP A 31 -8.171 -8.578 4.785 1.00 34.31 H new ATOM 0 HB3 ASP A 31 -6.510 -8.518 5.341 1.00 34.31 H new ATOM 417 N LEU A 32 -6.860 -5.544 4.085 1.00 73.32 N ATOM 418 CA LEU A 32 -5.923 -4.653 3.395 1.00 54.30 C ATOM 419 C LEU A 32 -5.632 -3.443 4.277 1.00 41.51 C ATOM 420 O LEU A 32 -4.474 -3.148 4.555 1.00 22.31 O ATOM 421 CB LEU A 32 -6.474 -4.216 2.017 1.00 4.45 C ATOM 422 CG LEU A 32 -5.440 -3.902 0.924 1.00 51.23 C ATOM 423 CD1 LEU A 32 -4.406 -2.861 1.347 1.00 61.13 C ATOM 424 CD2 LEU A 32 -4.699 -5.167 0.496 1.00 35.04 C ATOM 0 H LEU A 32 -7.707 -5.741 3.551 1.00 73.32 H new ATOM 0 HA LEU A 32 -4.994 -5.193 3.212 1.00 54.30 H new ATOM 0 HB2 LEU A 32 -7.129 -5.005 1.648 1.00 4.45 H new ATOM 0 HB3 LEU A 32 -7.092 -3.330 2.164 1.00 4.45 H new ATOM 0 HG LEU A 32 -6.014 -3.491 0.094 1.00 51.23 H new ATOM 0 HD11 LEU A 32 -3.708 -2.688 0.528 1.00 61.13 H new ATOM 0 HD12 LEU A 32 -4.911 -1.928 1.597 1.00 61.13 H new ATOM 0 HD13 LEU A 32 -3.860 -3.223 2.218 1.00 61.13 H new ATOM 0 HD21 LEU A 32 -3.973 -4.919 -0.278 1.00 35.04 H new ATOM 0 HD22 LEU A 32 -4.182 -5.594 1.355 1.00 35.04 H new ATOM 0 HD23 LEU A 32 -5.413 -5.892 0.105 1.00 35.04 H new ATOM 435 N LYS A 33 -6.667 -2.746 4.735 1.00 35.14 N ATOM 436 CA LYS A 33 -6.553 -1.560 5.568 1.00 73.01 C ATOM 437 C LYS A 33 -5.902 -1.911 6.908 1.00 74.40 C ATOM 438 O LYS A 33 -5.052 -1.166 7.396 1.00 64.40 O ATOM 439 CB LYS A 33 -7.967 -0.978 5.699 1.00 73.00 C ATOM 440 CG LYS A 33 -8.118 0.434 6.245 1.00 32.24 C ATOM 441 CD LYS A 33 -7.421 1.520 5.462 1.00 64.03 C ATOM 442 CE LYS A 33 -7.607 2.808 6.268 1.00 35.14 C ATOM 443 NZ LYS A 33 -8.987 3.341 6.247 1.00 64.23 N ATOM 0 H LYS A 33 -7.633 -3.000 4.530 1.00 35.14 H new ATOM 0 HA LYS A 33 -5.902 -0.805 5.128 1.00 73.01 H new ATOM 0 HB2 LYS A 33 -8.430 -1.004 4.713 1.00 73.00 H new ATOM 0 HB3 LYS A 33 -8.543 -1.646 6.340 1.00 73.00 H new ATOM 0 HG2 LYS A 33 -9.180 0.673 6.294 1.00 32.24 H new ATOM 0 HG3 LYS A 33 -7.740 0.450 7.267 1.00 32.24 H new ATOM 0 HD2 LYS A 33 -6.363 1.290 5.333 1.00 64.03 H new ATOM 0 HD3 LYS A 33 -7.850 1.618 4.465 1.00 64.03 H new ATOM 0 HE2 LYS A 33 -7.317 2.622 7.302 1.00 35.14 H new ATOM 0 HE3 LYS A 33 -6.930 3.568 5.879 1.00 35.14 H new ATOM 0 HZ1 LYS A 33 -9.117 3.999 7.042 1.00 64.23 H new ATOM 0 HZ2 LYS A 33 -9.151 3.843 5.351 1.00 64.23 H new ATOM 0 HZ3 LYS A 33 -9.664 2.556 6.333 1.00 64.23 H new ATOM 453 N ASP A 34 -6.242 -3.059 7.483 1.00 44.11 N ATOM 454 CA ASP A 34 -5.689 -3.521 8.761 1.00 54.31 C ATOM 455 C ASP A 34 -4.258 -4.046 8.663 1.00 54.20 C ATOM 456 O ASP A 34 -3.598 -4.217 9.688 1.00 64.31 O ATOM 457 CB ASP A 34 -6.594 -4.604 9.357 1.00 20.24 C ATOM 458 CG ASP A 34 -6.680 -4.472 10.876 1.00 41.21 C ATOM 459 OD1 ASP A 34 -7.327 -3.505 11.351 1.00 1.42 O ATOM 460 OD2 ASP A 34 -5.980 -5.224 11.594 1.00 0.51 O ATOM 0 H ASP A 34 -6.917 -3.706 7.074 1.00 44.11 H new ATOM 0 HA ASP A 34 -5.652 -2.646 9.410 1.00 54.31 H new ATOM 0 HB2 ASP A 34 -7.592 -4.527 8.925 1.00 20.24 H new ATOM 0 HB3 ASP A 34 -6.208 -5.589 9.095 1.00 20.24 H new ATOM 464 N HIS A 35 -3.777 -4.262 7.441 1.00 14.55 N ATOM 465 CA HIS A 35 -2.417 -4.680 7.112 1.00 63.31 C ATOM 466 C HIS A 35 -1.534 -3.518 6.660 1.00 55.31 C ATOM 467 O HIS A 35 -0.481 -3.294 7.255 1.00 40.10 O ATOM 468 CB HIS A 35 -2.466 -5.752 6.014 1.00 51.50 C ATOM 469 CG HIS A 35 -1.161 -5.964 5.294 1.00 35.31 C ATOM 470 ND1 HIS A 35 0.012 -6.429 5.837 1.00 55.14 N ATOM 471 CD2 HIS A 35 -0.905 -5.586 4.006 1.00 41.54 C ATOM 472 CE1 HIS A 35 0.957 -6.353 4.884 1.00 72.31 C ATOM 473 NE2 HIS A 35 0.444 -5.842 3.750 1.00 20.11 N ATOM 0 H HIS A 35 -4.356 -4.144 6.610 1.00 14.55 H new ATOM 0 HA HIS A 35 -1.971 -5.083 8.021 1.00 63.31 H new ATOM 0 HB2 HIS A 35 -2.779 -6.696 6.459 1.00 51.50 H new ATOM 0 HB3 HIS A 35 -3.228 -5.474 5.286 1.00 51.50 H new ATOM 0 HD1 HIS A 35 0.142 -6.770 6.790 1.00 55.14 H new ATOM 0 HD2 HIS A 35 -1.617 -5.165 3.311 1.00 41.54 H new ATOM 0 HE1 HIS A 35 1.985 -6.659 5.011 1.00 72.31 H new ATOM 480 N MET A 36 -1.920 -2.821 5.582 1.00 63.42 N ATOM 481 CA MET A 36 -1.162 -1.794 4.856 1.00 35.43 C ATOM 482 C MET A 36 -1.089 -0.487 5.681 1.00 15.22 C ATOM 483 O MET A 36 -1.283 0.607 5.157 1.00 14.11 O ATOM 484 CB MET A 36 -1.809 -1.603 3.471 1.00 20.14 C ATOM 485 CG MET A 36 -1.028 -0.616 2.600 1.00 15.45 C ATOM 486 SD MET A 36 -1.091 -0.891 0.820 1.00 0.51 S ATOM 487 CE MET A 36 0.140 0.350 0.356 1.00 62.10 C ATOM 0 H MET A 36 -2.838 -2.972 5.164 1.00 63.42 H new ATOM 0 HA MET A 36 -0.129 -2.107 4.707 1.00 35.43 H new ATOM 0 HB2 MET A 36 -1.868 -2.566 2.963 1.00 20.14 H new ATOM 0 HB3 MET A 36 -2.831 -1.245 3.595 1.00 20.14 H new ATOM 0 HG2 MET A 36 -1.401 0.388 2.804 1.00 15.45 H new ATOM 0 HG3 MET A 36 0.016 -0.638 2.912 1.00 15.45 H new ATOM 0 HE1 MET A 36 0.316 0.304 -0.719 1.00 62.10 H new ATOM 0 HE2 MET A 36 -0.225 1.342 0.622 1.00 62.10 H new ATOM 0 HE3 MET A 36 1.073 0.153 0.885 1.00 62.10 H new ATOM 495 N ARG A 37 -0.945 -0.555 7.001 1.00 35.32 N ATOM 496 CA ARG A 37 -0.963 0.572 7.943 1.00 2.14 C ATOM 497 C ARG A 37 0.440 0.861 8.479 1.00 3.34 C ATOM 498 O ARG A 37 0.640 1.823 9.211 1.00 61.21 O ATOM 499 CB ARG A 37 -1.911 0.209 9.103 1.00 74.32 C ATOM 500 CG ARG A 37 -1.354 -0.956 9.949 1.00 35.34 C ATOM 501 CD ARG A 37 -2.411 -1.691 10.741 1.00 24.22 C ATOM 502 NE ARG A 37 -3.055 -0.930 11.822 1.00 55.52 N ATOM 503 CZ ARG A 37 -4.257 -1.298 12.281 1.00 44.31 C ATOM 504 NH1 ARG A 37 -4.793 -2.439 11.871 1.00 23.05 N ATOM 505 NH2 ARG A 37 -4.947 -0.538 13.114 1.00 21.34 N ATOM 0 H ARG A 37 -0.804 -1.447 7.475 1.00 35.32 H new ATOM 0 HA ARG A 37 -1.310 1.471 7.433 1.00 2.14 H new ATOM 0 HB2 ARG A 37 -2.060 1.082 9.738 1.00 74.32 H new ATOM 0 HB3 ARG A 37 -2.887 -0.065 8.703 1.00 74.32 H new ATOM 0 HG2 ARG A 37 -0.849 -1.663 9.290 1.00 35.34 H new ATOM 0 HG3 ARG A 37 -0.602 -0.568 10.636 1.00 35.34 H new ATOM 0 HD2 ARG A 37 -3.184 -2.028 10.051 1.00 24.22 H new ATOM 0 HD3 ARG A 37 -1.958 -2.583 11.172 1.00 24.22 H new ATOM 0 HE ARG A 37 -2.584 -0.119 12.223 1.00 55.52 H new ATOM 0 HH11 ARG A 37 -4.290 -3.030 11.210 1.00 23.05 H new ATOM 0 HH12 ARG A 37 -5.709 -2.726 12.217 1.00 23.05 H new ATOM 0 HH21 ARG A 37 -4.566 0.356 13.424 1.00 21.34 H new ATOM 0 HH22 ARG A 37 -5.861 -0.845 13.447 1.00 21.34 H new ATOM 516 N GLU A 38 1.406 -0.010 8.212 1.00 61.23 N ATOM 517 CA GLU A 38 2.671 -0.055 8.925 1.00 55.13 C ATOM 518 C GLU A 38 3.636 1.020 8.443 1.00 54.31 C ATOM 519 O GLU A 38 4.497 1.465 9.206 1.00 3.33 O ATOM 520 CB GLU A 38 3.276 -1.446 8.716 1.00 1.22 C ATOM 521 CG GLU A 38 4.230 -1.864 9.833 1.00 64.34 C ATOM 522 CD GLU A 38 4.771 -3.281 9.607 1.00 2.34 C ATOM 523 OE1 GLU A 38 3.972 -4.188 9.257 1.00 44.12 O ATOM 524 OE2 GLU A 38 5.990 -3.501 9.799 1.00 44.52 O ATOM 0 H GLU A 38 1.328 -0.716 7.480 1.00 61.23 H new ATOM 0 HA GLU A 38 2.494 0.137 9.983 1.00 55.13 H new ATOM 0 HB2 GLU A 38 2.471 -2.177 8.642 1.00 1.22 H new ATOM 0 HB3 GLU A 38 3.810 -1.463 7.766 1.00 1.22 H new ATOM 0 HG2 GLU A 38 5.061 -1.160 9.886 1.00 64.34 H new ATOM 0 HG3 GLU A 38 3.712 -1.819 10.791 1.00 64.34 H new ATOM 529 N ALA A 39 3.491 1.417 7.180 1.00 13.54 N ATOM 530 CA ALA A 39 4.321 2.407 6.517 1.00 35.14 C ATOM 531 C ALA A 39 3.860 3.841 6.810 1.00 11.41 C ATOM 532 O ALA A 39 4.558 4.790 6.444 1.00 44.20 O ATOM 533 CB ALA A 39 4.277 2.176 5.009 1.00 31.35 C ATOM 0 H ALA A 39 2.763 1.041 6.572 1.00 13.54 H new ATOM 0 HA ALA A 39 5.335 2.293 6.900 1.00 35.14 H new ATOM 0 HB1 ALA A 39 4.899 2.918 4.509 1.00 31.35 H new ATOM 0 HB2 ALA A 39 4.651 1.177 4.783 1.00 31.35 H new ATOM 0 HB3 ALA A 39 3.250 2.267 4.657 1.00 31.35 H new ATOM 539 N GLY A 40 2.684 4.016 7.410 1.00 51.23 N ATOM 540 CA GLY A 40 1.972 5.278 7.483 1.00 51.21 C ATOM 541 C GLY A 40 0.484 5.035 7.270 1.00 13.22 C ATOM 542 O GLY A 40 0.065 3.905 6.996 1.00 31.14 O ATOM 0 H GLY A 40 2.189 3.254 7.873 1.00 51.23 H new ATOM 0 HA2 GLY A 40 2.140 5.747 8.453 1.00 51.21 H new ATOM 0 HA3 GLY A 40 2.351 5.966 6.727 1.00 51.21 H new ATOM 546 N ASP A 41 -0.329 6.072 7.434 1.00 11.41 N ATOM 547 CA ASP A 41 -1.754 5.883 7.668 1.00 74.30 C ATOM 548 C ASP A 41 -2.562 6.026 6.369 1.00 64.14 C ATOM 549 O ASP A 41 -2.146 6.676 5.402 1.00 55.41 O ATOM 550 CB ASP A 41 -2.228 6.784 8.819 1.00 61.40 C ATOM 551 CG ASP A 41 -3.292 6.076 9.656 1.00 4.11 C ATOM 552 OD1 ASP A 41 -4.274 5.573 9.075 1.00 13.24 O ATOM 553 OD2 ASP A 41 -3.169 6.011 10.900 1.00 61.10 O ATOM 0 H ASP A 41 -0.028 7.046 7.409 1.00 11.41 H new ATOM 0 HA ASP A 41 -1.936 4.859 7.993 1.00 74.30 H new ATOM 0 HB2 ASP A 41 -1.381 7.052 9.450 1.00 61.40 H new ATOM 0 HB3 ASP A 41 -2.633 7.713 8.417 1.00 61.40 H new ATOM 557 N VAL A 42 -3.723 5.375 6.327 1.00 34.42 N ATOM 558 CA VAL A 42 -4.513 5.136 5.128 1.00 34.31 C ATOM 559 C VAL A 42 -5.917 5.668 5.381 1.00 32.51 C ATOM 560 O VAL A 42 -6.423 5.606 6.502 1.00 44.24 O ATOM 561 CB VAL A 42 -4.435 3.624 4.824 1.00 72.53 C ATOM 562 CG1 VAL A 42 -5.221 3.186 3.585 1.00 13.11 C ATOM 563 CG2 VAL A 42 -2.960 3.233 4.628 1.00 62.43 C ATOM 0 H VAL A 42 -4.154 4.984 7.165 1.00 34.42 H new ATOM 0 HA VAL A 42 -4.146 5.656 4.243 1.00 34.31 H new ATOM 0 HB VAL A 42 -4.890 3.118 5.676 1.00 72.53 H new ATOM 0 HG11 VAL A 42 -5.111 2.110 3.446 1.00 13.11 H new ATOM 0 HG12 VAL A 42 -6.275 3.429 3.718 1.00 13.11 H new ATOM 0 HG13 VAL A 42 -4.837 3.706 2.708 1.00 13.11 H new ATOM 0 HG21 VAL A 42 -2.892 2.167 4.413 1.00 62.43 H new ATOM 0 HG22 VAL A 42 -2.541 3.799 3.796 1.00 62.43 H new ATOM 0 HG23 VAL A 42 -2.401 3.456 5.537 1.00 62.43 H new ATOM 573 N CYS A 43 -6.587 6.161 4.343 1.00 2.35 N ATOM 574 CA CYS A 43 -7.956 6.641 4.465 1.00 71.20 C ATOM 575 C CYS A 43 -8.871 5.688 3.701 1.00 15.12 C ATOM 576 O CYS A 43 -9.809 5.129 4.265 1.00 64.34 O ATOM 577 CB CYS A 43 -8.029 8.099 3.994 1.00 63.42 C ATOM 578 SG CYS A 43 -9.431 8.936 4.788 1.00 35.11 S ATOM 0 H CYS A 43 -6.199 6.238 3.403 1.00 2.35 H new ATOM 0 HA CYS A 43 -8.297 6.645 5.500 1.00 71.20 H new ATOM 0 HB2 CYS A 43 -7.101 8.616 4.237 1.00 63.42 H new ATOM 0 HB3 CYS A 43 -8.139 8.135 2.910 1.00 63.42 H new ATOM 0 HG CYS A 43 -9.484 10.171 4.385 1.00 35.11 H new ATOM 583 N TYR A 44 -8.570 5.433 2.436 1.00 71.41 N ATOM 584 CA TYR A 44 -9.409 4.627 1.555 1.00 24.41 C ATOM 585 C TYR A 44 -9.063 3.143 1.709 1.00 33.14 C ATOM 586 O TYR A 44 -7.908 2.781 1.938 1.00 75.34 O ATOM 587 CB TYR A 44 -9.106 5.127 0.149 1.00 4.30 C ATOM 588 CG TYR A 44 -9.762 4.479 -1.045 1.00 3.04 C ATOM 589 CD1 TYR A 44 -9.254 3.260 -1.515 1.00 53.23 C ATOM 590 CD2 TYR A 44 -10.723 5.176 -1.803 1.00 4.04 C ATOM 591 CE1 TYR A 44 -9.675 2.747 -2.744 1.00 2.10 C ATOM 592 CE2 TYR A 44 -11.172 4.651 -3.029 1.00 44.22 C ATOM 593 CZ TYR A 44 -10.637 3.434 -3.511 1.00 61.51 C ATOM 594 OH TYR A 44 -11.033 2.923 -4.707 1.00 13.02 O ATOM 0 H TYR A 44 -7.725 5.784 1.985 1.00 71.41 H new ATOM 0 HA TYR A 44 -10.470 4.721 1.787 1.00 24.41 H new ATOM 0 HB2 TYR A 44 -9.359 6.187 0.121 1.00 4.30 H new ATOM 0 HB3 TYR A 44 -8.028 5.053 0.005 1.00 4.30 H new ATOM 0 HD1 TYR A 44 -8.533 2.715 -0.924 1.00 53.23 H new ATOM 0 HD2 TYR A 44 -11.116 6.115 -1.443 1.00 4.04 H new ATOM 0 HE1 TYR A 44 -9.261 1.819 -3.109 1.00 2.10 H new ATOM 0 HE2 TYR A 44 -11.923 5.176 -3.600 1.00 44.22 H new ATOM 0 HH TYR A 44 -11.702 3.515 -5.110 1.00 13.02 H new ATOM 603 N ALA A 45 -10.038 2.259 1.504 1.00 63.53 N ATOM 604 CA ALA A 45 -9.811 0.827 1.369 1.00 55.44 C ATOM 605 C ALA A 45 -10.785 0.275 0.337 1.00 4.20 C ATOM 606 O ALA A 45 -11.986 0.535 0.442 1.00 35.42 O ATOM 607 CB ALA A 45 -9.980 0.133 2.728 1.00 64.41 C ATOM 0 H ALA A 45 -11.020 2.524 1.426 1.00 63.53 H new ATOM 0 HA ALA A 45 -8.792 0.637 1.031 1.00 55.44 H new ATOM 0 HB1 ALA A 45 -9.808 -0.937 2.614 1.00 64.41 H new ATOM 0 HB2 ALA A 45 -9.261 0.543 3.438 1.00 64.41 H new ATOM 0 HB3 ALA A 45 -10.991 0.300 3.099 1.00 64.41 H new ATOM 613 N ASP A 46 -10.292 -0.416 -0.692 1.00 0.40 N ATOM 614 CA ASP A 46 -11.145 -1.016 -1.720 1.00 71.14 C ATOM 615 C ASP A 46 -10.424 -2.182 -2.406 1.00 44.24 C ATOM 616 O ASP A 46 -9.321 -2.044 -2.932 1.00 60.12 O ATOM 617 CB ASP A 46 -11.515 0.074 -2.741 1.00 23.44 C ATOM 618 CG ASP A 46 -12.887 -0.092 -3.384 1.00 63.14 C ATOM 619 OD1 ASP A 46 -13.265 -1.218 -3.782 1.00 64.25 O ATOM 620 OD2 ASP A 46 -13.610 0.926 -3.493 1.00 55.15 O ATOM 0 H ASP A 46 -9.295 -0.575 -0.836 1.00 0.40 H new ATOM 0 HA ASP A 46 -12.051 -1.415 -1.264 1.00 71.14 H new ATOM 0 HB2 ASP A 46 -11.476 1.044 -2.246 1.00 23.44 H new ATOM 0 HB3 ASP A 46 -10.760 0.087 -3.527 1.00 23.44 H new ATOM 624 N VAL A 47 -11.046 -3.356 -2.399 1.00 55.45 N ATOM 625 CA VAL A 47 -10.562 -4.586 -3.003 1.00 34.30 C ATOM 626 C VAL A 47 -11.784 -5.205 -3.661 1.00 34.22 C ATOM 627 O VAL A 47 -12.926 -4.967 -3.256 1.00 74.21 O ATOM 628 CB VAL A 47 -9.939 -5.534 -1.949 1.00 54.44 C ATOM 629 CG1 VAL A 47 -9.690 -6.951 -2.488 1.00 21.04 C ATOM 630 CG2 VAL A 47 -8.603 -5.022 -1.371 1.00 35.23 C ATOM 0 H VAL A 47 -11.952 -3.479 -1.946 1.00 55.45 H new ATOM 0 HA VAL A 47 -9.765 -4.398 -3.722 1.00 34.30 H new ATOM 0 HB VAL A 47 -10.690 -5.560 -1.160 1.00 54.44 H new ATOM 0 HG11 VAL A 47 -9.253 -7.567 -1.703 1.00 21.04 H new ATOM 0 HG12 VAL A 47 -10.635 -7.389 -2.809 1.00 21.04 H new ATOM 0 HG13 VAL A 47 -9.006 -6.903 -3.335 1.00 21.04 H new ATOM 0 HG21 VAL A 47 -8.225 -5.737 -0.640 1.00 35.23 H new ATOM 0 HG22 VAL A 47 -7.877 -4.909 -2.177 1.00 35.23 H new ATOM 0 HG23 VAL A 47 -8.761 -4.058 -0.888 1.00 35.23 H new ATOM 640 N TYR A 48 -11.511 -6.044 -4.644 1.00 1.34 N ATOM 641 CA TYR A 48 -12.431 -6.917 -5.320 1.00 73.13 C ATOM 642 C TYR A 48 -11.882 -8.336 -5.216 1.00 62.31 C ATOM 643 O TYR A 48 -10.681 -8.527 -5.029 1.00 33.24 O ATOM 644 CB TYR A 48 -12.502 -6.453 -6.779 1.00 2.13 C ATOM 645 CG TYR A 48 -11.164 -6.081 -7.392 1.00 60.23 C ATOM 646 CD1 TYR A 48 -10.176 -7.057 -7.654 1.00 10.22 C ATOM 647 CD2 TYR A 48 -10.884 -4.720 -7.615 1.00 32.44 C ATOM 648 CE1 TYR A 48 -8.990 -6.667 -8.290 1.00 42.12 C ATOM 649 CE2 TYR A 48 -9.663 -4.322 -8.176 1.00 1.22 C ATOM 650 CZ TYR A 48 -8.744 -5.304 -8.585 1.00 51.54 C ATOM 651 OH TYR A 48 -7.622 -4.916 -9.244 1.00 63.12 O ATOM 0 H TYR A 48 -10.564 -6.133 -5.013 1.00 1.34 H new ATOM 0 HA TYR A 48 -13.431 -6.896 -4.887 1.00 73.13 H new ATOM 0 HB2 TYR A 48 -12.952 -7.246 -7.377 1.00 2.13 H new ATOM 0 HB3 TYR A 48 -13.166 -5.591 -6.840 1.00 2.13 H new ATOM 0 HD1 TYR A 48 -10.333 -8.087 -7.369 1.00 10.22 H new ATOM 0 HD2 TYR A 48 -11.619 -3.974 -7.351 1.00 32.44 H new ATOM 0 HE1 TYR A 48 -8.256 -7.413 -8.558 1.00 42.12 H new ATOM 0 HE2 TYR A 48 -9.431 -3.274 -8.293 1.00 1.22 H new ATOM 0 HH TYR A 48 -7.629 -3.942 -9.356 1.00 63.12 H new ATOM 660 N ARG A 49 -12.751 -9.312 -5.464 1.00 30.33 N ATOM 661 CA ARG A 49 -12.545 -10.663 -5.956 1.00 50.31 C ATOM 662 C ARG A 49 -11.375 -11.347 -5.298 1.00 13.53 C ATOM 663 O ARG A 49 -11.544 -12.005 -4.272 1.00 5.22 O ATOM 664 CB ARG A 49 -12.413 -10.646 -7.478 1.00 4.54 C ATOM 665 CG ARG A 49 -13.692 -10.157 -8.129 1.00 10.44 C ATOM 666 CD ARG A 49 -13.593 -10.332 -9.649 1.00 3.51 C ATOM 667 NE ARG A 49 -14.880 -10.744 -10.212 1.00 25.11 N ATOM 668 CZ ARG A 49 -15.371 -11.987 -10.263 1.00 1.42 C ATOM 669 NH1 ARG A 49 -14.695 -13.048 -9.831 1.00 5.32 N ATOM 670 NH2 ARG A 49 -16.576 -12.166 -10.774 1.00 70.14 N ATOM 0 H ARG A 49 -13.744 -9.147 -5.302 1.00 30.33 H new ATOM 0 HA ARG A 49 -13.420 -11.254 -5.688 1.00 50.31 H new ATOM 0 HB2 ARG A 49 -11.584 -10.001 -7.767 1.00 4.54 H new ATOM 0 HB3 ARG A 49 -12.178 -11.648 -7.837 1.00 4.54 H new ATOM 0 HG2 ARG A 49 -14.545 -10.715 -7.743 1.00 10.44 H new ATOM 0 HG3 ARG A 49 -13.859 -9.108 -7.883 1.00 10.44 H new ATOM 0 HD2 ARG A 49 -13.274 -9.396 -10.107 1.00 3.51 H new ATOM 0 HD3 ARG A 49 -12.833 -11.077 -9.885 1.00 3.51 H new ATOM 0 HE ARG A 49 -15.463 -10.006 -10.607 1.00 25.11 H new ATOM 0 HH11 ARG A 49 -13.760 -12.932 -9.440 1.00 5.32 H new ATOM 0 HH12 ARG A 49 -15.112 -13.977 -9.891 1.00 5.32 H new ATOM 0 HH21 ARG A 49 -17.108 -11.367 -11.118 1.00 70.14 H new ATOM 0 HH22 ARG A 49 -16.974 -13.104 -10.825 1.00 70.14 H new ATOM 681 N ASP A 50 -10.206 -11.116 -5.874 1.00 63.25 N ATOM 682 CA ASP A 50 -8.916 -11.502 -5.396 1.00 41.35 C ATOM 683 C ASP A 50 -7.815 -10.853 -6.234 1.00 71.45 C ATOM 684 O ASP A 50 -8.069 -10.324 -7.320 1.00 54.53 O ATOM 685 CB ASP A 50 -8.774 -13.038 -5.427 1.00 5.50 C ATOM 686 CG ASP A 50 -8.845 -13.644 -6.838 1.00 64.45 C ATOM 687 OD1 ASP A 50 -7.842 -13.553 -7.581 1.00 43.21 O ATOM 688 OD2 ASP A 50 -9.878 -14.257 -7.215 1.00 31.22 O ATOM 0 H ASP A 50 -10.146 -10.612 -6.759 1.00 63.25 H new ATOM 0 HA ASP A 50 -8.813 -11.159 -4.366 1.00 41.35 H new ATOM 0 HB2 ASP A 50 -7.823 -13.314 -4.972 1.00 5.50 H new ATOM 0 HB3 ASP A 50 -9.561 -13.478 -4.814 1.00 5.50 H new ATOM 692 N GLY A 51 -6.576 -10.951 -5.747 1.00 32.11 N ATOM 693 CA GLY A 51 -5.363 -10.866 -6.544 1.00 43.12 C ATOM 694 C GLY A 51 -4.880 -9.454 -6.852 1.00 52.34 C ATOM 695 O GLY A 51 -3.715 -9.296 -7.238 1.00 11.41 O ATOM 0 H GLY A 51 -6.390 -11.096 -4.755 1.00 32.11 H new ATOM 0 HA2 GLY A 51 -4.568 -11.398 -6.022 1.00 43.12 H new ATOM 0 HA3 GLY A 51 -5.530 -11.388 -7.486 1.00 43.12 H new ATOM 699 N THR A 52 -5.694 -8.420 -6.675 1.00 12.30 N ATOM 700 CA THR A 52 -5.259 -7.027 -6.620 1.00 63.42 C ATOM 701 C THR A 52 -6.203 -6.259 -5.686 1.00 32.03 C ATOM 702 O THR A 52 -7.253 -6.767 -5.292 1.00 4.34 O ATOM 703 CB THR A 52 -5.187 -6.360 -8.019 1.00 4.12 C ATOM 704 OG1 THR A 52 -5.946 -7.004 -9.024 1.00 72.25 O ATOM 705 CG2 THR A 52 -3.794 -6.194 -8.613 1.00 62.11 C ATOM 0 H THR A 52 -6.702 -8.529 -6.563 1.00 12.30 H new ATOM 0 HA THR A 52 -4.241 -7.000 -6.232 1.00 63.42 H new ATOM 0 HB THR A 52 -5.604 -5.384 -7.769 1.00 4.12 H new ATOM 0 HG1 THR A 52 -6.766 -6.494 -9.192 1.00 72.25 H new ATOM 0 HG21 THR A 52 -3.870 -5.717 -9.590 1.00 62.11 H new ATOM 0 HG22 THR A 52 -3.188 -5.574 -7.952 1.00 62.11 H new ATOM 0 HG23 THR A 52 -3.326 -7.172 -8.722 1.00 62.11 H new ATOM 713 N GLY A 53 -5.824 -5.034 -5.330 1.00 42.11 N ATOM 714 CA GLY A 53 -6.619 -4.106 -4.551 1.00 4.44 C ATOM 715 C GLY A 53 -6.086 -2.701 -4.767 1.00 14.41 C ATOM 716 O GLY A 53 -4.990 -2.537 -5.316 1.00 75.32 O ATOM 0 H GLY A 53 -4.915 -4.651 -5.591 1.00 42.11 H new ATOM 0 HA2 GLY A 53 -7.666 -4.162 -4.850 1.00 4.44 H new ATOM 0 HA3 GLY A 53 -6.575 -4.367 -3.494 1.00 4.44 H new ATOM 720 N VAL A 54 -6.842 -1.699 -4.335 1.00 53.52 N ATOM 721 CA VAL A 54 -6.537 -0.297 -4.543 1.00 71.44 C ATOM 722 C VAL A 54 -6.721 0.430 -3.214 1.00 71.41 C ATOM 723 O VAL A 54 -7.520 0.037 -2.361 1.00 0.21 O ATOM 724 CB VAL A 54 -7.319 0.221 -5.772 1.00 2.00 C ATOM 725 CG1 VAL A 54 -8.842 0.091 -5.665 1.00 52.34 C ATOM 726 CG2 VAL A 54 -6.941 1.667 -6.116 1.00 71.45 C ATOM 0 H VAL A 54 -7.707 -1.848 -3.816 1.00 53.52 H new ATOM 0 HA VAL A 54 -5.499 -0.104 -4.815 1.00 71.44 H new ATOM 0 HB VAL A 54 -7.013 -0.441 -6.582 1.00 2.00 H new ATOM 0 HG11 VAL A 54 -9.305 0.479 -6.572 1.00 52.34 H new ATOM 0 HG12 VAL A 54 -9.110 -0.958 -5.542 1.00 52.34 H new ATOM 0 HG13 VAL A 54 -9.196 0.659 -4.805 1.00 52.34 H new ATOM 0 HG21 VAL A 54 -7.511 1.995 -6.985 1.00 71.45 H new ATOM 0 HG22 VAL A 54 -7.167 2.314 -5.268 1.00 71.45 H new ATOM 0 HG23 VAL A 54 -5.876 1.721 -6.340 1.00 71.45 H new ATOM 736 N VAL A 55 -5.875 1.419 -2.958 1.00 1.41 N ATOM 737 CA VAL A 55 -5.693 1.969 -1.627 1.00 15.43 C ATOM 738 C VAL A 55 -5.392 3.468 -1.805 1.00 33.42 C ATOM 739 O VAL A 55 -4.907 3.881 -2.865 1.00 61.21 O ATOM 740 CB VAL A 55 -4.510 1.228 -0.973 1.00 44.02 C ATOM 741 CG1 VAL A 55 -4.341 1.661 0.489 1.00 0.44 C ATOM 742 CG2 VAL A 55 -4.582 -0.304 -1.002 1.00 33.30 C ATOM 0 H VAL A 55 -5.296 1.862 -3.671 1.00 1.41 H new ATOM 0 HA VAL A 55 -6.570 1.849 -0.990 1.00 15.43 H new ATOM 0 HB VAL A 55 -3.658 1.513 -1.590 1.00 44.02 H new ATOM 0 HG11 VAL A 55 -3.501 1.126 0.932 1.00 0.44 H new ATOM 0 HG12 VAL A 55 -4.151 2.734 0.531 1.00 0.44 H new ATOM 0 HG13 VAL A 55 -5.251 1.431 1.044 1.00 0.44 H new ATOM 0 HG21 VAL A 55 -3.700 -0.719 -0.515 1.00 33.30 H new ATOM 0 HG22 VAL A 55 -5.477 -0.636 -0.476 1.00 33.30 H new ATOM 0 HG23 VAL A 55 -4.621 -0.647 -2.036 1.00 33.30 H new ATOM 752 N GLU A 56 -5.627 4.290 -0.783 1.00 54.13 N ATOM 753 CA GLU A 56 -5.296 5.709 -0.816 1.00 33.12 C ATOM 754 C GLU A 56 -4.822 6.119 0.574 1.00 40.41 C ATOM 755 O GLU A 56 -5.448 5.767 1.584 1.00 35.23 O ATOM 756 CB GLU A 56 -6.504 6.522 -1.302 1.00 31.24 C ATOM 757 CG GLU A 56 -6.098 7.792 -2.032 1.00 35.31 C ATOM 758 CD GLU A 56 -7.278 8.570 -2.604 1.00 13.40 C ATOM 759 OE1 GLU A 56 -8.455 8.241 -2.348 1.00 2.00 O ATOM 760 OE2 GLU A 56 -6.993 9.537 -3.347 1.00 1.03 O ATOM 0 H GLU A 56 -6.054 3.987 0.093 1.00 54.13 H new ATOM 0 HA GLU A 56 -4.491 5.909 -1.523 1.00 33.12 H new ATOM 0 HB2 GLU A 56 -7.110 5.904 -1.965 1.00 31.24 H new ATOM 0 HB3 GLU A 56 -7.130 6.782 -0.448 1.00 31.24 H new ATOM 0 HG2 GLU A 56 -5.547 8.436 -1.346 1.00 35.31 H new ATOM 0 HG3 GLU A 56 -5.417 7.533 -2.843 1.00 35.31 H new ATOM 765 N PHE A 57 -3.667 6.780 0.612 1.00 0.44 N ATOM 766 CA PHE A 57 -2.964 7.197 1.813 1.00 40.22 C ATOM 767 C PHE A 57 -3.232 8.669 2.064 1.00 15.43 C ATOM 768 O PHE A 57 -3.776 9.374 1.213 1.00 75.34 O ATOM 769 CB PHE A 57 -1.452 6.960 1.653 1.00 60.51 C ATOM 770 CG PHE A 57 -0.969 5.555 1.961 1.00 61.43 C ATOM 771 CD1 PHE A 57 -1.650 4.412 1.503 1.00 31.33 C ATOM 772 CD2 PHE A 57 0.180 5.392 2.751 1.00 3.35 C ATOM 773 CE1 PHE A 57 -1.192 3.135 1.859 1.00 13.13 C ATOM 774 CE2 PHE A 57 0.662 4.117 3.079 1.00 20.43 C ATOM 775 CZ PHE A 57 -0.032 2.982 2.638 1.00 32.31 C ATOM 0 H PHE A 57 -3.175 7.051 -0.240 1.00 0.44 H new ATOM 0 HA PHE A 57 -3.321 6.611 2.660 1.00 40.22 H new ATOM 0 HB2 PHE A 57 -1.171 7.204 0.629 1.00 60.51 H new ATOM 0 HB3 PHE A 57 -0.923 7.657 2.303 1.00 60.51 H new ATOM 0 HD1 PHE A 57 -2.524 4.518 0.878 1.00 31.33 H new ATOM 0 HD2 PHE A 57 0.702 6.265 3.113 1.00 3.35 H new ATOM 0 HE1 PHE A 57 -1.736 2.261 1.532 1.00 13.13 H new ATOM 0 HE2 PHE A 57 1.561 4.010 3.667 1.00 20.43 H new ATOM 0 HZ PHE A 57 0.323 1.995 2.895 1.00 32.31 H new ATOM 784 N VAL A 58 -2.822 9.144 3.234 1.00 35.33 N ATOM 785 CA VAL A 58 -3.052 10.527 3.626 1.00 63.21 C ATOM 786 C VAL A 58 -2.109 11.494 2.918 1.00 60.52 C ATOM 787 O VAL A 58 -2.475 12.652 2.702 1.00 2.43 O ATOM 788 CB VAL A 58 -2.907 10.650 5.153 1.00 32.24 C ATOM 789 CG1 VAL A 58 -4.041 9.885 5.852 1.00 51.22 C ATOM 790 CG2 VAL A 58 -1.540 10.162 5.667 1.00 71.20 C ATOM 0 H VAL A 58 -2.326 8.588 3.930 1.00 35.33 H new ATOM 0 HA VAL A 58 -4.063 10.801 3.325 1.00 63.21 H new ATOM 0 HB VAL A 58 -2.973 11.711 5.394 1.00 32.24 H new ATOM 0 HG11 VAL A 58 -3.930 9.978 6.932 1.00 51.22 H new ATOM 0 HG12 VAL A 58 -5.002 10.301 5.549 1.00 51.22 H new ATOM 0 HG13 VAL A 58 -3.997 8.833 5.572 1.00 51.22 H new ATOM 0 HG21 VAL A 58 -1.498 10.274 6.750 1.00 71.20 H new ATOM 0 HG22 VAL A 58 -1.406 9.112 5.405 1.00 71.20 H new ATOM 0 HG23 VAL A 58 -0.747 10.754 5.210 1.00 71.20 H new ATOM 800 N ARG A 59 -0.890 11.049 2.597 1.00 60.51 N ATOM 801 CA ARG A 59 0.145 11.907 2.060 1.00 4.44 C ATOM 802 C ARG A 59 1.125 11.079 1.249 1.00 11.00 C ATOM 803 O ARG A 59 1.262 9.871 1.475 1.00 2.04 O ATOM 804 CB ARG A 59 0.807 12.621 3.259 1.00 14.43 C ATOM 805 CG ARG A 59 1.742 13.758 2.850 1.00 53.01 C ATOM 806 CD ARG A 59 2.100 14.655 4.042 1.00 60.45 C ATOM 807 NE ARG A 59 2.942 15.767 3.588 1.00 20.30 N ATOM 808 CZ ARG A 59 2.520 16.801 2.851 1.00 54.24 C ATOM 809 NH1 ARG A 59 1.236 17.140 2.815 1.00 22.10 N ATOM 810 NH2 ARG A 59 3.390 17.457 2.095 1.00 53.32 N ATOM 0 H ARG A 59 -0.602 10.077 2.707 1.00 60.51 H new ATOM 0 HA ARG A 59 -0.254 12.658 1.379 1.00 4.44 H new ATOM 0 HB2 ARG A 59 0.028 13.018 3.911 1.00 14.43 H new ATOM 0 HB3 ARG A 59 1.369 11.891 3.842 1.00 14.43 H new ATOM 0 HG2 ARG A 59 2.654 13.343 2.420 1.00 53.01 H new ATOM 0 HG3 ARG A 59 1.268 14.357 2.073 1.00 53.01 H new ATOM 0 HD2 ARG A 59 1.192 15.040 4.506 1.00 60.45 H new ATOM 0 HD3 ARG A 59 2.625 14.075 4.801 1.00 60.45 H new ATOM 0 HE ARG A 59 3.926 15.751 3.855 1.00 20.30 H new ATOM 0 HH11 ARG A 59 0.553 16.609 3.355 1.00 22.10 H new ATOM 0 HH12 ARG A 59 0.933 17.931 2.247 1.00 22.10 H new ATOM 0 HH21 ARG A 59 4.369 17.172 2.080 1.00 53.32 H new ATOM 0 HH22 ARG A 59 3.080 18.247 1.529 1.00 53.32 H new ATOM 821 N LYS A 60 1.819 11.720 0.304 1.00 2.21 N ATOM 822 CA LYS A 60 2.810 11.053 -0.530 1.00 41.03 C ATOM 823 C LYS A 60 3.962 10.529 0.310 1.00 40.14 C ATOM 824 O LYS A 60 4.593 9.576 -0.122 1.00 20.40 O ATOM 825 CB LYS A 60 3.292 11.989 -1.658 1.00 63.21 C ATOM 826 CG LYS A 60 4.476 11.406 -2.439 1.00 41.24 C ATOM 827 CD LYS A 60 4.589 11.939 -3.864 1.00 41.34 C ATOM 828 CE LYS A 60 3.676 11.138 -4.795 1.00 73.51 C ATOM 829 NZ LYS A 60 4.022 11.304 -6.215 1.00 1.43 N ATOM 0 H LYS A 60 1.707 12.713 0.100 1.00 2.21 H new ATOM 0 HA LYS A 60 2.342 10.190 -1.003 1.00 41.03 H new ATOM 0 HB2 LYS A 60 2.467 12.180 -2.344 1.00 63.21 H new ATOM 0 HB3 LYS A 60 3.580 12.949 -1.231 1.00 63.21 H new ATOM 0 HG2 LYS A 60 5.399 11.628 -1.903 1.00 41.24 H new ATOM 0 HG3 LYS A 60 4.380 10.321 -2.472 1.00 41.24 H new ATOM 0 HD2 LYS A 60 4.314 12.993 -3.890 1.00 41.34 H new ATOM 0 HD3 LYS A 60 5.622 11.871 -4.206 1.00 41.34 H new ATOM 0 HE2 LYS A 60 3.734 10.082 -4.533 1.00 73.51 H new ATOM 0 HE3 LYS A 60 2.643 11.449 -4.639 1.00 73.51 H new ATOM 0 HZ1 LYS A 60 3.372 10.740 -6.799 1.00 1.43 H new ATOM 0 HZ2 LYS A 60 3.941 12.307 -6.477 1.00 1.43 H new ATOM 0 HZ3 LYS A 60 4.998 10.982 -6.374 1.00 1.43 H new ATOM 839 N GLU A 61 4.269 11.104 1.462 1.00 35.13 N ATOM 840 CA GLU A 61 5.398 10.669 2.269 1.00 73.25 C ATOM 841 C GLU A 61 5.135 9.254 2.784 1.00 74.23 C ATOM 842 O GLU A 61 5.891 8.341 2.447 1.00 73.13 O ATOM 843 CB GLU A 61 5.658 11.729 3.342 1.00 20.15 C ATOM 844 CG GLU A 61 6.254 12.952 2.617 1.00 32.23 C ATOM 845 CD GLU A 61 6.399 14.196 3.480 1.00 24.20 C ATOM 846 OE1 GLU A 61 5.421 14.587 4.146 1.00 60.31 O ATOM 847 OE2 GLU A 61 7.453 14.864 3.368 1.00 11.43 O ATOM 0 H GLU A 61 3.745 11.882 1.863 1.00 35.13 H new ATOM 0 HA GLU A 61 6.322 10.591 1.696 1.00 73.25 H new ATOM 0 HB2 GLU A 61 4.734 11.995 3.856 1.00 20.15 H new ATOM 0 HB3 GLU A 61 6.347 11.354 4.099 1.00 20.15 H new ATOM 0 HG2 GLU A 61 7.235 12.682 2.225 1.00 32.23 H new ATOM 0 HG3 GLU A 61 5.624 13.192 1.761 1.00 32.23 H new ATOM 852 N ASP A 62 4.010 9.055 3.473 1.00 72.21 N ATOM 853 CA ASP A 62 3.550 7.755 3.964 1.00 15.33 C ATOM 854 C ASP A 62 3.443 6.777 2.796 1.00 53.20 C ATOM 855 O ASP A 62 3.956 5.659 2.854 1.00 34.55 O ATOM 856 CB ASP A 62 2.182 7.890 4.658 1.00 60.22 C ATOM 857 CG ASP A 62 2.199 8.649 5.983 1.00 41.20 C ATOM 858 OD1 ASP A 62 2.971 9.631 6.115 1.00 12.42 O ATOM 859 OD2 ASP A 62 1.418 8.287 6.891 1.00 13.41 O ATOM 0 H ASP A 62 3.375 9.817 3.712 1.00 72.21 H new ATOM 0 HA ASP A 62 4.271 7.380 4.691 1.00 15.33 H new ATOM 0 HB2 ASP A 62 1.495 8.393 3.978 1.00 60.22 H new ATOM 0 HB3 ASP A 62 1.781 6.892 4.834 1.00 60.22 H new ATOM 863 N MET A 63 2.810 7.214 1.702 1.00 11.42 N ATOM 864 CA MET A 63 2.687 6.426 0.486 1.00 15.04 C ATOM 865 C MET A 63 4.048 5.942 -0.026 1.00 3.04 C ATOM 866 O MET A 63 4.208 4.751 -0.294 1.00 14.03 O ATOM 867 CB MET A 63 1.981 7.260 -0.582 1.00 43.42 C ATOM 868 CG MET A 63 1.703 6.388 -1.795 1.00 61.32 C ATOM 869 SD MET A 63 0.996 7.242 -3.210 1.00 42.11 S ATOM 870 CE MET A 63 2.417 8.202 -3.754 1.00 14.04 C ATOM 0 H MET A 63 2.368 8.131 1.642 1.00 11.42 H new ATOM 0 HA MET A 63 2.099 5.537 0.713 1.00 15.04 H new ATOM 0 HB2 MET A 63 1.048 7.663 -0.188 1.00 43.42 H new ATOM 0 HB3 MET A 63 2.601 8.110 -0.865 1.00 43.42 H new ATOM 0 HG2 MET A 63 2.636 5.917 -2.105 1.00 61.32 H new ATOM 0 HG3 MET A 63 1.025 5.588 -1.499 1.00 61.32 H new ATOM 0 HE1 MET A 63 2.336 8.397 -4.823 1.00 14.04 H new ATOM 0 HE2 MET A 63 2.445 9.148 -3.213 1.00 14.04 H new ATOM 0 HE3 MET A 63 3.331 7.643 -3.555 1.00 14.04 H new ATOM 878 N THR A 64 4.997 6.863 -0.208 1.00 34.11 N ATOM 879 CA THR A 64 6.346 6.577 -0.687 1.00 20.33 C ATOM 880 C THR A 64 6.974 5.513 0.200 1.00 0.51 C ATOM 881 O THR A 64 7.510 4.534 -0.311 1.00 64.13 O ATOM 882 CB THR A 64 7.223 7.847 -0.711 1.00 52.11 C ATOM 883 OG1 THR A 64 6.654 8.855 -1.522 1.00 13.02 O ATOM 884 CG2 THR A 64 8.636 7.591 -1.245 1.00 52.03 C ATOM 0 H THR A 64 4.842 7.854 -0.021 1.00 34.11 H new ATOM 0 HA THR A 64 6.281 6.212 -1.712 1.00 20.33 H new ATOM 0 HB THR A 64 7.279 8.165 0.330 1.00 52.11 H new ATOM 0 HG1 THR A 64 5.816 9.165 -1.119 1.00 13.02 H new ATOM 0 HG21 THR A 64 9.202 8.522 -1.237 1.00 52.03 H new ATOM 0 HG22 THR A 64 9.136 6.856 -0.614 1.00 52.03 H new ATOM 0 HG23 THR A 64 8.576 7.212 -2.265 1.00 52.03 H new ATOM 892 N TYR A 65 6.892 5.687 1.520 1.00 44.13 N ATOM 893 CA TYR A 65 7.522 4.819 2.502 1.00 75.22 C ATOM 894 C TYR A 65 7.138 3.352 2.288 1.00 52.24 C ATOM 895 O TYR A 65 7.982 2.457 2.391 1.00 1.34 O ATOM 896 CB TYR A 65 7.104 5.307 3.889 1.00 15.21 C ATOM 897 CG TYR A 65 8.007 4.845 5.003 1.00 54.42 C ATOM 898 CD1 TYR A 65 7.836 3.575 5.585 1.00 40.10 C ATOM 899 CD2 TYR A 65 9.012 5.711 5.470 1.00 32.32 C ATOM 900 CE1 TYR A 65 8.653 3.182 6.660 1.00 21.42 C ATOM 901 CE2 TYR A 65 9.851 5.311 6.516 1.00 2.42 C ATOM 902 CZ TYR A 65 9.669 4.050 7.122 1.00 11.22 C ATOM 903 OH TYR A 65 10.545 3.654 8.079 1.00 71.32 O ATOM 0 H TYR A 65 6.371 6.456 1.941 1.00 44.13 H new ATOM 0 HA TYR A 65 8.606 4.866 2.397 1.00 75.22 H new ATOM 0 HB2 TYR A 65 7.077 6.397 3.886 1.00 15.21 H new ATOM 0 HB3 TYR A 65 6.090 4.964 4.092 1.00 15.21 H new ATOM 0 HD1 TYR A 65 7.079 2.904 5.207 1.00 40.10 H new ATOM 0 HD2 TYR A 65 9.136 6.685 5.021 1.00 32.32 H new ATOM 0 HE1 TYR A 65 8.505 2.221 7.131 1.00 21.42 H new ATOM 0 HE2 TYR A 65 10.637 5.967 6.859 1.00 2.42 H new ATOM 0 HH TYR A 65 11.173 4.382 8.269 1.00 71.32 H new ATOM 912 N ALA A 66 5.874 3.108 1.935 1.00 72.32 N ATOM 913 CA ALA A 66 5.346 1.773 1.688 1.00 60.42 C ATOM 914 C ALA A 66 6.023 1.135 0.463 1.00 62.23 C ATOM 915 O ALA A 66 6.287 -0.063 0.473 1.00 44.30 O ATOM 916 CB ALA A 66 3.817 1.802 1.545 1.00 15.51 C ATOM 0 H ALA A 66 5.181 3.847 1.812 1.00 72.32 H new ATOM 0 HA ALA A 66 5.577 1.149 2.551 1.00 60.42 H new ATOM 0 HB1 ALA A 66 3.450 0.792 1.361 1.00 15.51 H new ATOM 0 HB2 ALA A 66 3.373 2.188 2.462 1.00 15.51 H new ATOM 0 HB3 ALA A 66 3.542 2.446 0.710 1.00 15.51 H new ATOM 922 N VAL A 67 6.408 1.906 -0.557 1.00 32.13 N ATOM 923 CA VAL A 67 7.111 1.374 -1.729 1.00 61.41 C ATOM 924 C VAL A 67 8.545 0.943 -1.359 1.00 72.31 C ATOM 925 O VAL A 67 9.207 0.251 -2.135 1.00 42.12 O ATOM 926 CB VAL A 67 7.104 2.413 -2.879 1.00 13.44 C ATOM 927 CG1 VAL A 67 7.482 1.800 -4.237 1.00 14.53 C ATOM 928 CG2 VAL A 67 5.728 3.061 -3.096 1.00 44.43 C ATOM 0 H VAL A 67 6.243 2.912 -0.595 1.00 32.13 H new ATOM 0 HA VAL A 67 6.585 0.486 -2.079 1.00 61.41 H new ATOM 0 HB VAL A 67 7.839 3.151 -2.557 1.00 13.44 H new ATOM 0 HG11 VAL A 67 7.460 2.574 -5.004 1.00 14.53 H new ATOM 0 HG12 VAL A 67 8.484 1.375 -4.178 1.00 14.53 H new ATOM 0 HG13 VAL A 67 6.770 1.015 -4.493 1.00 14.53 H new ATOM 0 HG21 VAL A 67 5.789 3.779 -3.914 1.00 44.43 H new ATOM 0 HG22 VAL A 67 4.998 2.290 -3.343 1.00 44.43 H new ATOM 0 HG23 VAL A 67 5.420 3.574 -2.185 1.00 44.43 H new ATOM 938 N ARG A 68 9.055 1.349 -0.189 1.00 14.34 N ATOM 939 CA ARG A 68 10.446 1.130 0.209 1.00 41.53 C ATOM 940 C ARG A 68 10.553 0.079 1.308 1.00 14.22 C ATOM 941 O ARG A 68 11.518 -0.686 1.312 1.00 35.25 O ATOM 942 CB ARG A 68 11.097 2.454 0.650 1.00 21.04 C ATOM 943 CG ARG A 68 10.778 3.634 -0.281 1.00 41.44 C ATOM 944 CD ARG A 68 11.787 4.782 -0.172 1.00 72.32 C ATOM 945 NE ARG A 68 13.060 4.455 -0.842 1.00 15.13 N ATOM 946 CZ ARG A 68 13.817 5.283 -1.571 1.00 32.31 C ATOM 947 NH1 ARG A 68 13.583 6.588 -1.599 1.00 11.30 N ATOM 948 NH2 ARG A 68 14.813 4.794 -2.296 1.00 34.12 N ATOM 0 H ARG A 68 8.505 1.844 0.513 1.00 14.34 H new ATOM 0 HA ARG A 68 10.986 0.752 -0.659 1.00 41.53 H new ATOM 0 HB2 ARG A 68 10.762 2.696 1.658 1.00 21.04 H new ATOM 0 HB3 ARG A 68 12.178 2.320 0.697 1.00 21.04 H new ATOM 0 HG2 ARG A 68 10.753 3.278 -1.311 1.00 41.44 H new ATOM 0 HG3 ARG A 68 9.782 4.012 -0.049 1.00 41.44 H new ATOM 0 HD2 ARG A 68 11.363 5.683 -0.616 1.00 72.32 H new ATOM 0 HD3 ARG A 68 11.975 5.003 0.879 1.00 72.32 H new ATOM 0 HE ARG A 68 13.398 3.498 -0.739 1.00 15.13 H new ATOM 0 HH11 ARG A 68 12.813 6.980 -1.057 1.00 11.30 H new ATOM 0 HH12 ARG A 68 14.173 7.200 -2.162 1.00 11.30 H new ATOM 0 HH21 ARG A 68 14.999 3.791 -2.296 1.00 34.12 H new ATOM 0 HH22 ARG A 68 15.393 5.421 -2.854 1.00 34.12 H new ATOM 959 N LYS A 69 9.609 0.059 2.253 1.00 11.44 N ATOM 960 CA LYS A 69 9.615 -0.845 3.407 1.00 3.43 C ATOM 961 C LYS A 69 8.535 -1.917 3.291 1.00 71.04 C ATOM 962 O LYS A 69 8.572 -2.899 4.034 1.00 43.51 O ATOM 963 CB LYS A 69 9.399 -0.048 4.710 1.00 34.23 C ATOM 964 CG LYS A 69 10.637 0.691 5.237 1.00 55.50 C ATOM 965 CD LYS A 69 11.144 1.825 4.335 1.00 14.32 C ATOM 966 CE LYS A 69 12.078 2.808 5.051 1.00 63.10 C ATOM 967 NZ LYS A 69 13.216 2.151 5.720 1.00 23.23 N ATOM 0 H LYS A 69 8.803 0.683 2.237 1.00 11.44 H new ATOM 0 HA LYS A 69 10.587 -1.337 3.428 1.00 3.43 H new ATOM 0 HB2 LYS A 69 8.604 0.680 4.545 1.00 34.23 H new ATOM 0 HB3 LYS A 69 9.048 -0.733 5.482 1.00 34.23 H new ATOM 0 HG2 LYS A 69 10.406 1.103 6.219 1.00 55.50 H new ATOM 0 HG3 LYS A 69 11.442 -0.031 5.376 1.00 55.50 H new ATOM 0 HD2 LYS A 69 11.669 1.393 3.483 1.00 14.32 H new ATOM 0 HD3 LYS A 69 10.289 2.372 3.938 1.00 14.32 H new ATOM 0 HE2 LYS A 69 12.458 3.529 4.328 1.00 63.10 H new ATOM 0 HE3 LYS A 69 11.506 3.369 5.790 1.00 63.10 H new ATOM 0 HZ1 LYS A 69 13.826 2.872 6.155 1.00 23.23 H new ATOM 0 HZ2 LYS A 69 12.862 1.507 6.456 1.00 23.23 H new ATOM 0 HZ3 LYS A 69 13.764 1.610 5.021 1.00 23.23 H new ATOM 977 N LEU A 70 7.544 -1.731 2.421 1.00 12.11 N ATOM 978 CA LEU A 70 6.306 -2.494 2.443 1.00 74.44 C ATOM 979 C LEU A 70 6.056 -3.180 1.099 1.00 62.02 C ATOM 980 O LEU A 70 4.999 -3.784 0.943 1.00 13.42 O ATOM 981 CB LEU A 70 5.136 -1.583 2.885 1.00 41.41 C ATOM 982 CG LEU A 70 4.113 -2.159 3.885 1.00 12.42 C ATOM 983 CD1 LEU A 70 3.560 -3.554 3.532 1.00 62.23 C ATOM 984 CD2 LEU A 70 4.797 -2.256 5.258 1.00 31.35 C ATOM 0 H LEU A 70 7.582 -1.037 1.674 1.00 12.11 H new ATOM 0 HA LEU A 70 6.388 -3.296 3.177 1.00 74.44 H new ATOM 0 HB2 LEU A 70 5.562 -0.681 3.324 1.00 41.41 H new ATOM 0 HB3 LEU A 70 4.594 -1.277 1.990 1.00 41.41 H new ATOM 0 HG LEU A 70 3.259 -1.482 3.867 1.00 12.42 H new ATOM 0 HD11 LEU A 70 2.850 -3.868 4.297 1.00 62.23 H new ATOM 0 HD12 LEU A 70 3.058 -3.512 2.566 1.00 62.23 H new ATOM 0 HD13 LEU A 70 4.381 -4.269 3.484 1.00 62.23 H new ATOM 0 HD21 LEU A 70 4.095 -2.661 5.987 1.00 31.35 H new ATOM 0 HD22 LEU A 70 5.665 -2.912 5.187 1.00 31.35 H new ATOM 0 HD23 LEU A 70 5.117 -1.264 5.576 1.00 31.35 H new ATOM 995 N ASP A 71 6.985 -3.169 0.133 1.00 61.32 N ATOM 996 CA ASP A 71 6.768 -3.851 -1.138 1.00 33.13 C ATOM 997 C ASP A 71 7.500 -5.190 -1.177 1.00 31.04 C ATOM 998 O ASP A 71 8.508 -5.389 -0.497 1.00 54.14 O ATOM 999 CB ASP A 71 7.142 -2.949 -2.326 1.00 15.24 C ATOM 1000 CG ASP A 71 8.291 -3.451 -3.206 1.00 11.13 C ATOM 1001 OD1 ASP A 71 9.475 -3.326 -2.835 1.00 64.44 O ATOM 1002 OD2 ASP A 71 7.997 -3.876 -4.351 1.00 31.02 O ATOM 0 H ASP A 71 7.886 -2.697 0.212 1.00 61.32 H new ATOM 0 HA ASP A 71 5.703 -4.067 -1.228 1.00 33.13 H new ATOM 0 HB2 ASP A 71 6.259 -2.820 -2.952 1.00 15.24 H new ATOM 0 HB3 ASP A 71 7.407 -1.964 -1.941 1.00 15.24 H new ATOM 1006 N ASN A 72 6.963 -6.104 -1.992 1.00 1.43 N ATOM 1007 CA ASN A 72 7.356 -7.506 -2.084 1.00 3.14 C ATOM 1008 C ASN A 72 7.231 -8.221 -0.723 1.00 70.10 C ATOM 1009 O ASN A 72 8.102 -8.997 -0.324 1.00 34.24 O ATOM 1010 CB ASN A 72 8.735 -7.638 -2.743 1.00 4.25 C ATOM 1011 CG ASN A 72 8.796 -8.959 -3.483 1.00 5.32 C ATOM 1012 OD1 ASN A 72 8.492 -9.001 -4.671 1.00 65.41 O ATOM 1013 ND2 ASN A 72 9.109 -10.056 -2.824 1.00 45.54 N ATOM 0 H ASN A 72 6.206 -5.870 -2.635 1.00 1.43 H new ATOM 0 HA ASN A 72 6.659 -8.029 -2.739 1.00 3.14 H new ATOM 0 HB2 ASN A 72 8.905 -6.811 -3.432 1.00 4.25 H new ATOM 0 HB3 ASN A 72 9.520 -7.591 -1.989 1.00 4.25 H new ATOM 0 HD21 ASN A 72 9.101 -10.957 -3.301 1.00 45.54 H new ATOM 0 HD22 ASN A 72 9.359 -10.004 -1.837 1.00 45.54 H new ATOM 1019 N THR A 73 6.168 -7.923 0.018 1.00 62.30 N ATOM 1020 CA THR A 73 5.935 -8.302 1.411 1.00 20.24 C ATOM 1021 C THR A 73 4.935 -9.456 1.513 1.00 71.02 C ATOM 1022 O THR A 73 4.473 -9.943 0.485 1.00 54.30 O ATOM 1023 CB THR A 73 5.445 -7.040 2.139 1.00 34.34 C ATOM 1024 OG1 THR A 73 4.468 -6.371 1.356 1.00 0.45 O ATOM 1025 CG2 THR A 73 6.631 -6.106 2.367 1.00 22.32 C ATOM 0 H THR A 73 5.396 -7.375 -0.361 1.00 62.30 H new ATOM 0 HA THR A 73 6.850 -8.669 1.875 1.00 20.24 H new ATOM 0 HB THR A 73 5.001 -7.325 3.093 1.00 34.34 H new ATOM 0 HG1 THR A 73 4.664 -5.411 1.339 1.00 0.45 H new ATOM 0 HG21 THR A 73 6.293 -5.208 2.883 1.00 22.32 H new ATOM 0 HG22 THR A 73 7.381 -6.612 2.974 1.00 22.32 H new ATOM 0 HG23 THR A 73 7.067 -5.830 1.407 1.00 22.32 H new ATOM 1033 N LYS A 74 4.591 -9.923 2.718 1.00 32.23 N ATOM 1034 CA LYS A 74 3.511 -10.892 2.937 1.00 22.02 C ATOM 1035 C LYS A 74 2.211 -10.167 3.292 1.00 61.23 C ATOM 1036 O LYS A 74 2.261 -9.068 3.845 1.00 51.32 O ATOM 1037 CB LYS A 74 3.906 -11.837 4.081 1.00 24.14 C ATOM 1038 CG LYS A 74 3.165 -13.185 4.044 1.00 61.44 C ATOM 1039 CD LYS A 74 3.822 -14.196 3.091 1.00 34.32 C ATOM 1040 CE LYS A 74 4.711 -15.193 3.846 1.00 32.34 C ATOM 1041 NZ LYS A 74 5.760 -14.543 4.663 1.00 25.24 N ATOM 0 H LYS A 74 5.059 -9.636 3.578 1.00 32.23 H new ATOM 0 HA LYS A 74 3.352 -11.465 2.023 1.00 22.02 H new ATOM 0 HB2 LYS A 74 4.980 -12.020 4.037 1.00 24.14 H new ATOM 0 HB3 LYS A 74 3.705 -11.346 5.033 1.00 24.14 H new ATOM 0 HG2 LYS A 74 3.134 -13.606 5.049 1.00 61.44 H new ATOM 0 HG3 LYS A 74 2.133 -13.019 3.736 1.00 61.44 H new ATOM 0 HD2 LYS A 74 3.049 -14.738 2.546 1.00 34.32 H new ATOM 0 HD3 LYS A 74 4.420 -13.663 2.351 1.00 34.32 H new ATOM 0 HE2 LYS A 74 4.086 -15.808 4.493 1.00 32.34 H new ATOM 0 HE3 LYS A 74 5.183 -15.863 3.128 1.00 32.34 H new ATOM 0 HZ1 LYS A 74 6.397 -15.268 5.051 1.00 25.24 H new ATOM 0 HZ2 LYS A 74 6.305 -13.885 4.069 1.00 25.24 H new ATOM 0 HZ3 LYS A 74 5.317 -14.018 5.444 1.00 25.24 H new ATOM 1051 N PHE A 75 1.068 -10.825 3.097 1.00 61.34 N ATOM 1052 CA PHE A 75 -0.238 -10.422 3.599 1.00 2.34 C ATOM 1053 C PHE A 75 -0.991 -11.625 4.144 1.00 22.25 C ATOM 1054 O PHE A 75 -0.879 -12.701 3.566 1.00 60.32 O ATOM 1055 CB PHE A 75 -1.009 -9.759 2.447 1.00 1.51 C ATOM 1056 CG PHE A 75 -2.500 -9.600 2.662 1.00 20.02 C ATOM 1057 CD1 PHE A 75 -3.343 -10.712 2.495 1.00 44.24 C ATOM 1058 CD2 PHE A 75 -3.055 -8.360 3.018 1.00 54.51 C ATOM 1059 CE1 PHE A 75 -4.720 -10.605 2.710 1.00 21.45 C ATOM 1060 CE2 PHE A 75 -4.440 -8.245 3.214 1.00 34.44 C ATOM 1061 CZ PHE A 75 -5.275 -9.363 3.060 1.00 61.21 C ATOM 0 H PHE A 75 1.030 -11.692 2.560 1.00 61.34 H new ATOM 0 HA PHE A 75 -0.126 -9.713 4.419 1.00 2.34 H new ATOM 0 HB2 PHE A 75 -0.579 -8.774 2.266 1.00 1.51 H new ATOM 0 HB3 PHE A 75 -0.851 -10.347 1.543 1.00 1.51 H new ATOM 0 HD1 PHE A 75 -2.922 -11.661 2.197 1.00 44.24 H new ATOM 0 HD2 PHE A 75 -2.418 -7.497 3.141 1.00 54.51 H new ATOM 0 HE1 PHE A 75 -5.354 -11.473 2.608 1.00 21.45 H new ATOM 0 HE2 PHE A 75 -4.866 -7.290 3.485 1.00 34.44 H new ATOM 0 HZ PHE A 75 -6.340 -9.268 3.210 1.00 61.21 H new ATOM 1070 N ARG A 76 -1.800 -11.427 5.196 1.00 33.44 N ATOM 1071 CA ARG A 76 -2.505 -12.476 5.938 1.00 74.32 C ATOM 1072 C ARG A 76 -4.010 -12.365 5.738 1.00 42.11 C ATOM 1073 O ARG A 76 -4.591 -11.355 6.137 1.00 12.43 O ATOM 1074 CB ARG A 76 -2.199 -12.369 7.447 1.00 44.43 C ATOM 1075 CG ARG A 76 -0.702 -12.354 7.783 1.00 2.42 C ATOM 1076 CD ARG A 76 -0.430 -12.346 9.292 1.00 72.24 C ATOM 1077 NE ARG A 76 -0.730 -11.039 9.906 1.00 73.44 N ATOM 1078 CZ ARG A 76 -0.281 -10.614 11.093 1.00 75.03 C ATOM 1079 NH1 ARG A 76 0.488 -11.399 11.841 1.00 20.01 N ATOM 1080 NH2 ARG A 76 -0.585 -9.393 11.512 1.00 12.55 N ATOM 0 H ARG A 76 -1.986 -10.495 5.565 1.00 33.44 H new ATOM 0 HA ARG A 76 -2.159 -13.437 5.557 1.00 74.32 H new ATOM 0 HB2 ARG A 76 -2.657 -11.460 7.836 1.00 44.43 H new ATOM 0 HB3 ARG A 76 -2.668 -13.207 7.962 1.00 44.43 H new ATOM 0 HG2 ARG A 76 -0.226 -13.228 7.338 1.00 2.42 H new ATOM 0 HG3 ARG A 76 -0.242 -11.475 7.331 1.00 2.42 H new ATOM 0 HD2 ARG A 76 -1.032 -13.118 9.772 1.00 72.24 H new ATOM 0 HD3 ARG A 76 0.615 -12.599 9.472 1.00 72.24 H new ATOM 0 HE ARG A 76 -1.331 -10.404 9.381 1.00 73.44 H new ATOM 0 HH11 ARG A 76 0.739 -12.331 11.511 1.00 20.01 H new ATOM 0 HH12 ARG A 76 0.827 -11.069 12.745 1.00 20.01 H new ATOM 0 HH21 ARG A 76 -1.159 -8.782 10.930 1.00 12.55 H new ATOM 0 HH22 ARG A 76 -0.245 -9.065 12.416 1.00 12.55 H new ATOM 1091 N SER A 77 -4.657 -13.364 5.164 1.00 60.30 N ATOM 1092 CA SER A 77 -6.111 -13.431 5.185 1.00 0.32 C ATOM 1093 C SER A 77 -6.574 -13.932 6.553 1.00 21.01 C ATOM 1094 O SER A 77 -5.865 -14.710 7.197 1.00 61.44 O ATOM 1095 CB SER A 77 -6.571 -14.416 4.118 1.00 62.01 C ATOM 1096 OG SER A 77 -5.830 -14.274 2.939 1.00 61.03 O ATOM 0 H SER A 77 -4.203 -14.138 4.679 1.00 60.30 H new ATOM 0 HA SER A 77 -6.530 -12.443 4.993 1.00 0.32 H new ATOM 0 HB2 SER A 77 -6.470 -15.434 4.493 1.00 62.01 H new ATOM 0 HB3 SER A 77 -7.628 -14.258 3.906 1.00 62.01 H new ATOM 0 HG SER A 77 -6.016 -15.029 2.343 1.00 61.03 H new ATOM 1101 N HIS A 78 -7.813 -13.619 6.941 1.00 43.33 N ATOM 1102 CA HIS A 78 -8.449 -14.245 8.099 1.00 63.43 C ATOM 1103 C HIS A 78 -8.639 -15.758 7.944 1.00 60.03 C ATOM 1104 O HIS A 78 -8.884 -16.432 8.946 1.00 34.32 O ATOM 1105 CB HIS A 78 -9.784 -13.574 8.433 1.00 22.11 C ATOM 1106 CG HIS A 78 -10.706 -13.284 7.274 1.00 75.30 C ATOM 1107 ND1 HIS A 78 -10.689 -12.138 6.513 1.00 2.45 N ATOM 1108 CD2 HIS A 78 -11.780 -14.037 6.872 1.00 75.00 C ATOM 1109 CE1 HIS A 78 -11.727 -12.197 5.662 1.00 23.21 C ATOM 1110 NE2 HIS A 78 -12.437 -13.325 5.859 1.00 73.41 N ATOM 0 H HIS A 78 -8.397 -12.931 6.466 1.00 43.33 H new ATOM 0 HA HIS A 78 -7.759 -14.097 8.930 1.00 63.43 H new ATOM 0 HB2 HIS A 78 -10.317 -14.210 9.141 1.00 22.11 H new ATOM 0 HB3 HIS A 78 -9.574 -12.634 8.944 1.00 22.11 H new ATOM 0 HD1 HIS A 78 -10.010 -11.380 6.582 1.00 2.45 H new ATOM 0 HD2 HIS A 78 -12.067 -15.002 7.264 1.00 75.00 H new ATOM 0 HE1 HIS A 78 -11.960 -11.445 4.923 1.00 23.21 H new ATOM 1117 N GLU A 79 -8.478 -16.301 6.736 1.00 64.00 N ATOM 1118 CA GLU A 79 -8.469 -17.732 6.432 1.00 20.44 C ATOM 1119 C GLU A 79 -7.166 -18.414 6.891 1.00 32.04 C ATOM 1120 O GLU A 79 -6.901 -19.560 6.536 1.00 42.10 O ATOM 1121 CB GLU A 79 -8.811 -17.916 4.941 1.00 31.33 C ATOM 1122 CG GLU A 79 -9.931 -18.936 4.682 1.00 51.42 C ATOM 1123 CD GLU A 79 -9.510 -20.399 4.839 1.00 21.35 C ATOM 1124 OE1 GLU A 79 -9.611 -20.951 5.958 1.00 11.35 O ATOM 1125 OE2 GLU A 79 -9.138 -21.033 3.824 1.00 64.11 O ATOM 0 H GLU A 79 -8.344 -15.727 5.904 1.00 64.00 H new ATOM 0 HA GLU A 79 -9.237 -18.249 7.007 1.00 20.44 H new ATOM 0 HB2 GLU A 79 -9.106 -16.953 4.524 1.00 31.33 H new ATOM 0 HB3 GLU A 79 -7.914 -18.232 4.409 1.00 31.33 H new ATOM 0 HG2 GLU A 79 -10.754 -18.733 5.367 1.00 51.42 H new ATOM 0 HG3 GLU A 79 -10.313 -18.788 3.672 1.00 51.42 H new ATOM 1130 N GLY A 80 -6.345 -17.733 7.700 1.00 12.14 N ATOM 1131 CA GLY A 80 -5.194 -18.334 8.359 1.00 0.15 C ATOM 1132 C GLY A 80 -4.112 -18.694 7.357 1.00 53.51 C ATOM 1133 O GLY A 80 -3.317 -19.603 7.592 1.00 65.32 O ATOM 0 H GLY A 80 -6.467 -16.743 7.913 1.00 12.14 H new ATOM 0 HA2 GLY A 80 -4.792 -17.641 9.098 1.00 0.15 H new ATOM 0 HA3 GLY A 80 -5.506 -19.229 8.898 1.00 0.15 H new ATOM 1137 N GLU A 81 -4.071 -17.991 6.230 1.00 61.43 N ATOM 1138 CA GLU A 81 -3.193 -18.238 5.113 1.00 1.12 C ATOM 1139 C GLU A 81 -2.689 -16.905 4.586 1.00 53.51 C ATOM 1140 O GLU A 81 -3.229 -15.846 4.916 1.00 33.45 O ATOM 1141 CB GLU A 81 -3.927 -19.097 4.078 1.00 12.45 C ATOM 1142 CG GLU A 81 -5.221 -18.486 3.509 1.00 31.14 C ATOM 1143 CD GLU A 81 -5.029 -17.524 2.331 1.00 11.45 C ATOM 1144 OE1 GLU A 81 -4.030 -17.664 1.589 1.00 34.04 O ATOM 1145 OE2 GLU A 81 -5.931 -16.677 2.117 1.00 50.44 O ATOM 0 H GLU A 81 -4.686 -17.193 6.072 1.00 61.43 H new ATOM 0 HA GLU A 81 -2.310 -18.808 5.402 1.00 1.12 H new ATOM 0 HB2 GLU A 81 -3.247 -19.299 3.251 1.00 12.45 H new ATOM 0 HB3 GLU A 81 -4.169 -20.057 4.534 1.00 12.45 H new ATOM 0 HG2 GLU A 81 -5.877 -19.297 3.191 1.00 31.14 H new ATOM 0 HG3 GLU A 81 -5.735 -17.955 4.310 1.00 31.14 H new ATOM 1150 N THR A 82 -1.594 -16.945 3.836 1.00 71.14 N ATOM 1151 CA THR A 82 -0.859 -15.749 3.456 1.00 24.43 C ATOM 1152 C THR A 82 -0.288 -15.966 2.055 1.00 74.03 C ATOM 1153 O THR A 82 0.096 -17.088 1.700 1.00 24.33 O ATOM 1154 CB THR A 82 0.241 -15.402 4.506 1.00 71.21 C ATOM 1155 OG1 THR A 82 1.394 -16.211 4.341 1.00 25.41 O ATOM 1156 CG2 THR A 82 -0.147 -15.606 5.978 1.00 55.14 C ATOM 0 H THR A 82 -1.192 -17.810 3.475 1.00 71.14 H new ATOM 0 HA THR A 82 -1.525 -14.887 3.435 1.00 24.43 H new ATOM 0 HB THR A 82 0.407 -14.342 4.313 1.00 71.21 H new ATOM 0 HG1 THR A 82 1.996 -16.082 5.103 1.00 25.41 H new ATOM 0 HG21 THR A 82 0.693 -15.334 6.617 1.00 55.14 H new ATOM 0 HG22 THR A 82 -1.004 -14.978 6.219 1.00 55.14 H new ATOM 0 HG23 THR A 82 -0.405 -16.652 6.145 1.00 55.14 H new ATOM 1164 N ALA A 83 -0.136 -14.892 1.283 1.00 65.43 N ATOM 1165 CA ALA A 83 0.650 -14.869 0.055 1.00 3.11 C ATOM 1166 C ALA A 83 1.598 -13.679 0.126 1.00 11.22 C ATOM 1167 O ALA A 83 1.478 -12.835 1.021 1.00 63.21 O ATOM 1168 CB ALA A 83 -0.263 -14.799 -1.177 1.00 44.53 C ATOM 0 H ALA A 83 -0.567 -13.993 1.501 1.00 65.43 H new ATOM 0 HA ALA A 83 1.229 -15.787 -0.043 1.00 3.11 H new ATOM 0 HB1 ALA A 83 0.346 -14.783 -2.081 1.00 44.53 H new ATOM 0 HB2 ALA A 83 -0.917 -15.671 -1.195 1.00 44.53 H new ATOM 0 HB3 ALA A 83 -0.868 -13.893 -1.131 1.00 44.53 H new ATOM 1174 N TYR A 84 2.554 -13.615 -0.802 1.00 3.21 N ATOM 1175 CA TYR A 84 3.347 -12.413 -0.970 1.00 31.13 C ATOM 1176 C TYR A 84 2.553 -11.442 -1.844 1.00 13.15 C ATOM 1177 O TYR A 84 1.791 -11.867 -2.714 1.00 12.13 O ATOM 1178 CB TYR A 84 4.736 -12.714 -1.552 1.00 5.13 C ATOM 1179 CG TYR A 84 4.757 -12.840 -3.060 1.00 21.21 C ATOM 1180 CD1 TYR A 84 4.407 -14.060 -3.669 1.00 43.50 C ATOM 1181 CD2 TYR A 84 5.028 -11.705 -3.852 1.00 64.00 C ATOM 1182 CE1 TYR A 84 4.296 -14.146 -5.065 1.00 33.14 C ATOM 1183 CE2 TYR A 84 4.915 -11.784 -5.249 1.00 53.33 C ATOM 1184 CZ TYR A 84 4.537 -13.003 -5.855 1.00 64.24 C ATOM 1185 OH TYR A 84 4.370 -13.062 -7.203 1.00 44.33 O ATOM 0 H TYR A 84 2.791 -14.376 -1.439 1.00 3.21 H new ATOM 0 HA TYR A 84 3.536 -11.959 0.003 1.00 31.13 H new ATOM 0 HB2 TYR A 84 5.423 -11.922 -1.254 1.00 5.13 H new ATOM 0 HB3 TYR A 84 5.109 -13.640 -1.115 1.00 5.13 H new ATOM 0 HD1 TYR A 84 4.223 -14.933 -3.060 1.00 43.50 H new ATOM 0 HD2 TYR A 84 5.322 -10.777 -3.385 1.00 64.00 H new ATOM 0 HE1 TYR A 84 4.028 -15.082 -5.532 1.00 33.14 H new ATOM 0 HE2 TYR A 84 5.116 -10.916 -5.859 1.00 53.33 H new ATOM 0 HH TYR A 84 4.576 -12.189 -7.597 1.00 44.33 H new ATOM 1194 N ILE A 85 2.777 -10.149 -1.668 1.00 32.25 N ATOM 1195 CA ILE A 85 2.138 -9.077 -2.407 1.00 22.21 C ATOM 1196 C ILE A 85 3.207 -8.194 -3.025 1.00 54.41 C ATOM 1197 O ILE A 85 4.383 -8.244 -2.667 1.00 41.22 O ATOM 1198 CB ILE A 85 1.175 -8.282 -1.496 1.00 33.34 C ATOM 1199 CG1 ILE A 85 1.926 -7.622 -0.316 1.00 31.32 C ATOM 1200 CG2 ILE A 85 0.026 -9.197 -1.041 1.00 64.23 C ATOM 1201 CD1 ILE A 85 1.096 -6.619 0.486 1.00 75.14 C ATOM 0 H ILE A 85 3.440 -9.805 -0.973 1.00 32.25 H new ATOM 0 HA ILE A 85 1.531 -9.492 -3.212 1.00 22.21 H new ATOM 0 HB ILE A 85 0.739 -7.459 -2.062 1.00 33.34 H new ATOM 0 HG12 ILE A 85 2.277 -8.404 0.357 1.00 31.32 H new ATOM 0 HG13 ILE A 85 2.810 -7.115 -0.703 1.00 31.32 H new ATOM 0 HG21 ILE A 85 -0.653 -8.636 -0.399 1.00 64.23 H new ATOM 0 HG22 ILE A 85 -0.517 -9.560 -1.913 1.00 64.23 H new ATOM 0 HG23 ILE A 85 0.432 -10.044 -0.488 1.00 64.23 H new ATOM 0 HD11 ILE A 85 1.703 -6.207 1.292 1.00 75.14 H new ATOM 0 HD12 ILE A 85 0.767 -5.812 -0.169 1.00 75.14 H new ATOM 0 HD13 ILE A 85 0.226 -7.122 0.908 1.00 75.14 H new ATOM 1212 N ARG A 86 2.797 -7.344 -3.955 1.00 24.02 N ATOM 1213 CA ARG A 86 3.616 -6.290 -4.539 1.00 32.24 C ATOM 1214 C ARG A 86 2.845 -5.003 -4.302 1.00 60.22 C ATOM 1215 O ARG A 86 1.613 -5.039 -4.317 1.00 40.15 O ATOM 1216 CB ARG A 86 3.847 -6.589 -6.028 1.00 1.44 C ATOM 1217 CG ARG A 86 4.641 -7.891 -6.252 1.00 51.53 C ATOM 1218 CD ARG A 86 6.160 -7.718 -6.219 1.00 24.30 C ATOM 1219 NE ARG A 86 6.680 -7.011 -7.395 1.00 53.31 N ATOM 1220 CZ ARG A 86 7.972 -6.742 -7.614 1.00 30.33 C ATOM 1221 NH1 ARG A 86 8.897 -7.105 -6.734 1.00 71.35 N ATOM 1222 NH2 ARG A 86 8.343 -6.119 -8.724 1.00 2.53 N ATOM 0 H ARG A 86 1.852 -7.370 -4.338 1.00 24.02 H new ATOM 0 HA ARG A 86 4.608 -6.214 -4.094 1.00 32.24 H new ATOM 0 HB2 ARG A 86 2.884 -6.663 -6.534 1.00 1.44 H new ATOM 0 HB3 ARG A 86 4.384 -5.757 -6.483 1.00 1.44 H new ATOM 0 HG2 ARG A 86 4.353 -8.614 -5.488 1.00 51.53 H new ATOM 0 HG3 ARG A 86 4.357 -8.315 -7.215 1.00 51.53 H new ATOM 0 HD2 ARG A 86 6.439 -7.170 -5.319 1.00 24.30 H new ATOM 0 HD3 ARG A 86 6.631 -8.699 -6.153 1.00 24.30 H new ATOM 0 HE ARG A 86 6.007 -6.702 -8.097 1.00 53.31 H new ATOM 0 HH11 ARG A 86 8.625 -7.594 -5.881 1.00 71.35 H new ATOM 0 HH12 ARG A 86 9.879 -6.895 -6.911 1.00 71.35 H new ATOM 0 HH21 ARG A 86 7.643 -5.844 -9.413 1.00 2.53 H new ATOM 0 HH22 ARG A 86 9.329 -5.915 -8.889 1.00 2.53 H new ATOM 1233 N VAL A 87 3.545 -3.906 -4.039 1.00 53.53 N ATOM 1234 CA VAL A 87 2.953 -2.638 -3.631 1.00 31.00 C ATOM 1235 C VAL A 87 3.511 -1.568 -4.571 1.00 1.41 C ATOM 1236 O VAL A 87 4.729 -1.466 -4.746 1.00 41.24 O ATOM 1237 CB VAL A 87 3.232 -2.370 -2.134 1.00 55.53 C ATOM 1238 CG1 VAL A 87 2.635 -1.016 -1.752 1.00 14.20 C ATOM 1239 CG2 VAL A 87 2.651 -3.475 -1.223 1.00 52.51 C ATOM 0 H VAL A 87 4.562 -3.873 -4.105 1.00 53.53 H new ATOM 0 HA VAL A 87 1.866 -2.641 -3.715 1.00 31.00 H new ATOM 0 HB VAL A 87 4.312 -2.367 -1.987 1.00 55.53 H new ATOM 0 HG11 VAL A 87 2.827 -0.818 -0.697 1.00 14.20 H new ATOM 0 HG12 VAL A 87 3.092 -0.233 -2.357 1.00 14.20 H new ATOM 0 HG13 VAL A 87 1.560 -1.030 -1.929 1.00 14.20 H new ATOM 0 HG21 VAL A 87 2.873 -3.242 -0.182 1.00 52.51 H new ATOM 0 HG22 VAL A 87 1.571 -3.530 -1.361 1.00 52.51 H new ATOM 0 HG23 VAL A 87 3.099 -4.434 -1.483 1.00 52.51 H new ATOM 1249 N LYS A 88 2.628 -0.826 -5.243 1.00 73.23 N ATOM 1250 CA LYS A 88 2.975 0.096 -6.325 1.00 0.31 C ATOM 1251 C LYS A 88 2.252 1.408 -6.082 1.00 43.45 C ATOM 1252 O LYS A 88 1.165 1.392 -5.508 1.00 55.45 O ATOM 1253 CB LYS A 88 2.511 -0.466 -7.680 1.00 3.22 C ATOM 1254 CG LYS A 88 3.021 -1.885 -7.986 1.00 54.44 C ATOM 1255 CD LYS A 88 1.921 -2.927 -8.214 1.00 12.13 C ATOM 1256 CE LYS A 88 1.064 -2.668 -9.458 1.00 51.54 C ATOM 1257 NZ LYS A 88 1.861 -2.519 -10.694 1.00 10.10 N ATOM 0 H LYS A 88 1.628 -0.851 -5.044 1.00 73.23 H new ATOM 0 HA LYS A 88 4.056 0.235 -6.345 1.00 0.31 H new ATOM 0 HB2 LYS A 88 1.421 -0.471 -7.704 1.00 3.22 H new ATOM 0 HB3 LYS A 88 2.844 0.205 -8.472 1.00 3.22 H new ATOM 0 HG2 LYS A 88 3.654 -1.845 -8.873 1.00 54.44 H new ATOM 0 HG3 LYS A 88 3.650 -2.216 -7.160 1.00 54.44 H new ATOM 0 HD2 LYS A 88 2.380 -3.912 -8.301 1.00 12.13 H new ATOM 0 HD3 LYS A 88 1.273 -2.953 -7.338 1.00 12.13 H new ATOM 0 HE2 LYS A 88 0.360 -3.491 -9.584 1.00 51.54 H new ATOM 0 HE3 LYS A 88 0.474 -1.765 -9.303 1.00 51.54 H new ATOM 0 HZ1 LYS A 88 1.224 -2.482 -11.515 1.00 10.10 H new ATOM 0 HZ2 LYS A 88 2.415 -1.640 -10.646 1.00 10.10 H new ATOM 0 HZ3 LYS A 88 2.505 -3.330 -10.792 1.00 10.10 H new ATOM 1267 N VAL A 89 2.804 2.511 -6.580 1.00 32.11 N ATOM 1268 CA VAL A 89 2.036 3.730 -6.742 1.00 14.14 C ATOM 1269 C VAL A 89 1.072 3.472 -7.897 1.00 24.50 C ATOM 1270 O VAL A 89 1.302 2.616 -8.762 1.00 23.33 O ATOM 1271 CB VAL A 89 2.955 4.952 -6.970 1.00 2.10 C ATOM 1272 CG1 VAL A 89 2.184 6.277 -6.859 1.00 54.45 C ATOM 1273 CG2 VAL A 89 4.089 5.003 -5.932 1.00 52.25 C ATOM 0 H VAL A 89 3.778 2.580 -6.876 1.00 32.11 H new ATOM 0 HA VAL A 89 1.476 3.979 -5.841 1.00 14.14 H new ATOM 0 HB VAL A 89 3.358 4.834 -7.976 1.00 2.10 H new ATOM 0 HG11 VAL A 89 2.867 7.110 -7.026 1.00 54.45 H new ATOM 0 HG12 VAL A 89 1.392 6.301 -7.608 1.00 54.45 H new ATOM 0 HG13 VAL A 89 1.746 6.361 -5.865 1.00 54.45 H new ATOM 0 HG21 VAL A 89 4.716 5.874 -6.121 1.00 52.25 H new ATOM 0 HG22 VAL A 89 3.663 5.073 -4.931 1.00 52.25 H new ATOM 0 HG23 VAL A 89 4.692 4.098 -6.007 1.00 52.25 H new ATOM 1283 N ASP A 90 -0.043 4.177 -7.864 1.00 22.21 N ATOM 1284 CA ASP A 90 -1.014 4.243 -8.938 1.00 61.51 C ATOM 1285 C ASP A 90 -0.455 4.989 -10.145 1.00 32.44 C ATOM 1286 O ASP A 90 -0.825 4.627 -11.283 1.00 23.52 O ATOM 1287 CB ASP A 90 -2.264 4.922 -8.397 1.00 53.14 C ATOM 1288 CG ASP A 90 -3.300 5.061 -9.494 1.00 60.54 C ATOM 1289 OD1 ASP A 90 -3.774 4.008 -9.994 1.00 12.42 O ATOM 1290 OD2 ASP A 90 -3.679 6.220 -9.791 1.00 61.13 O ATOM 0 H ASP A 90 -0.307 4.741 -7.056 1.00 22.21 H new ATOM 0 HA ASP A 90 -1.257 3.238 -9.283 1.00 61.51 H new ATOM 0 HB2 ASP A 90 -2.674 4.341 -7.571 1.00 53.14 H new ATOM 0 HB3 ASP A 90 -2.010 5.905 -8.000 1.00 53.14 H new