USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 436 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 15 SER OG : rot 180:sc= -0.0612 USER MOD Set 1.2: A 19 GLN : amide:sc= -0.0111 X(o=-0.072,f=-0.078) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0122 (180deg=-0.15) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0837 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 100:sc= -2.26 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 48 ASN : amide:sc= -0.0816 X(o=-0.082,f=-0.15) USER MOD Single : A 49 ASN : amide:sc= -16.2! C(o=-16!,f=-24!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.601 K(o=-0.6,f=0.23) USER MOD Single : A 65 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.709 8.717 3.894 1.00 0.00 N ATOM 133 CA LEU A 13 -4.551 7.869 2.724 1.00 0.00 C ATOM 134 C LEU A 13 -3.188 8.142 2.083 1.00 0.00 C ATOM 135 O LEU A 13 -2.403 7.219 1.870 1.00 0.00 O ATOM 136 CB LEU A 13 -5.729 8.052 1.766 1.00 0.00 C ATOM 137 CG LEU A 13 -5.777 7.097 0.572 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.165 7.095 -0.073 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.676 7.425 -0.438 1.00 0.00 C ATOM 0 HA LEU A 13 -4.565 6.817 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.653 7.940 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.709 9.074 1.388 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.589 6.087 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.172 6.408 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.906 6.776 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.407 8.100 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.733 6.731 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.807 8.444 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.702 7.334 0.043 1.00 0.00 H new ATOM 151 N ASP A 14 -2.949 9.412 1.795 1.00 0.00 N ATOM 152 CA ASP A 14 -1.695 9.818 1.183 1.00 0.00 C ATOM 153 C ASP A 14 -0.536 9.443 2.109 1.00 0.00 C ATOM 154 O ASP A 14 0.464 8.885 1.662 1.00 0.00 O ATOM 155 CB ASP A 14 -1.654 11.331 0.963 1.00 0.00 C ATOM 156 CG ASP A 14 -0.494 11.828 0.097 1.00 0.00 C ATOM 157 OD1 ASP A 14 -0.681 11.859 -1.138 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.553 12.164 0.691 1.00 0.00 O ATOM 0 H ASP A 14 -3.603 10.174 1.974 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.609 9.312 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.591 11.641 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.599 11.823 1.934 1.00 0.00 H new ATOM 163 N SER A 15 -0.710 9.765 3.382 1.00 0.00 N ATOM 164 CA SER A 15 0.309 9.470 4.375 1.00 0.00 C ATOM 165 C SER A 15 0.715 7.997 4.285 1.00 0.00 C ATOM 166 O SER A 15 1.883 7.685 4.058 1.00 0.00 O ATOM 167 CB SER A 15 -0.184 9.799 5.785 1.00 0.00 C ATOM 168 OG SER A 15 0.741 9.381 6.785 1.00 0.00 O ATOM 0 H SER A 15 -1.542 10.228 3.749 1.00 0.00 H new ATOM 0 HA SER A 15 1.179 10.094 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.349 10.873 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.145 9.314 5.955 1.00 0.00 H new ATOM 0 HG SER A 15 0.391 9.610 7.671 1.00 0.00 H new ATOM 174 N LEU A 16 -0.271 7.132 4.468 1.00 0.00 N ATOM 175 CA LEU A 16 -0.031 5.700 4.410 1.00 0.00 C ATOM 176 C LEU A 16 0.916 5.393 3.249 1.00 0.00 C ATOM 177 O LEU A 16 1.947 4.749 3.437 1.00 0.00 O ATOM 178 CB LEU A 16 -1.355 4.937 4.343 1.00 0.00 C ATOM 179 CG LEU A 16 -2.317 5.157 5.513 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.723 4.664 5.167 1.00 0.00 C ATOM 181 CD2 LEU A 16 -1.781 4.509 6.791 1.00 0.00 C ATOM 0 H LEU A 16 -1.238 7.395 4.657 1.00 0.00 H new ATOM 0 HA LEU A 16 0.460 5.359 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.866 5.216 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.134 3.872 4.275 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.389 6.228 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.387 4.832 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.097 5.209 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.689 3.599 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.483 4.680 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.662 3.437 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.816 4.948 7.044 1.00 0.00 H new ATOM 193 N ILE A 17 0.532 5.867 2.073 1.00 0.00 N ATOM 194 CA ILE A 17 1.335 5.651 0.881 1.00 0.00 C ATOM 195 C ILE A 17 2.791 6.014 1.178 1.00 0.00 C ATOM 196 O ILE A 17 3.647 5.136 1.270 1.00 0.00 O ATOM 197 CB ILE A 17 0.743 6.410 -0.308 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.582 5.786 -0.753 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.749 6.500 -1.458 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.230 6.611 -1.866 1.00 0.00 C ATOM 0 H ILE A 17 -0.324 6.400 1.920 1.00 0.00 H new ATOM 0 HA ILE A 17 1.320 4.598 0.598 1.00 0.00 H new ATOM 0 HB ILE A 17 0.527 7.430 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.409 4.768 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.261 5.720 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.303 7.044 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.643 7.024 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.019 5.496 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.170 6.146 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.424 7.621 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.559 6.655 -2.724 1.00 0.00 H new ATOM 212 N SER A 18 3.027 7.310 1.321 1.00 0.00 N ATOM 213 CA SER A 18 4.365 7.800 1.606 1.00 0.00 C ATOM 214 C SER A 18 4.993 6.979 2.735 1.00 0.00 C ATOM 215 O SER A 18 6.136 6.538 2.624 1.00 0.00 O ATOM 216 CB SER A 18 4.340 9.283 1.979 1.00 0.00 C ATOM 217 OG SER A 18 5.621 9.750 2.396 1.00 0.00 O ATOM 0 H SER A 18 2.314 8.036 1.245 1.00 0.00 H new ATOM 0 HA SER A 18 4.969 7.690 0.705 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.002 9.867 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.617 9.444 2.779 1.00 0.00 H new ATOM 0 HG SER A 18 5.564 10.701 2.624 1.00 0.00 H new ATOM 223 N GLN A 19 4.218 6.799 3.794 1.00 0.00 N ATOM 224 CA GLN A 19 4.684 6.039 4.942 1.00 0.00 C ATOM 225 C GLN A 19 5.311 4.720 4.486 1.00 0.00 C ATOM 226 O GLN A 19 6.460 4.429 4.813 1.00 0.00 O ATOM 227 CB GLN A 19 3.547 5.792 5.935 1.00 0.00 C ATOM 228 CG GLN A 19 3.132 7.092 6.628 1.00 0.00 C ATOM 229 CD GLN A 19 3.201 6.948 8.149 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.236 6.657 8.725 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.043 7.166 8.766 1.00 0.00 N ATOM 0 H GLN A 19 3.270 7.166 3.882 1.00 0.00 H new ATOM 0 HA GLN A 19 5.448 6.624 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.691 5.364 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.863 5.063 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.784 7.904 6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.118 7.360 6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.213 7.406 8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.985 7.093 9.782 1.00 0.00 H new ATOM 240 N VAL A 20 4.527 3.957 3.738 1.00 0.00 N ATOM 241 CA VAL A 20 4.990 2.676 3.234 1.00 0.00 C ATOM 242 C VAL A 20 6.129 2.905 2.239 1.00 0.00 C ATOM 243 O VAL A 20 7.213 2.344 2.390 1.00 0.00 O ATOM 244 CB VAL A 20 3.819 1.896 2.633 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.317 0.683 1.842 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.827 1.473 3.718 1.00 0.00 C ATOM 0 H VAL A 20 3.574 4.202 3.469 1.00 0.00 H new ATOM 0 HA VAL A 20 5.386 2.067 4.047 1.00 0.00 H new ATOM 0 HB VAL A 20 3.296 2.556 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.465 0.146 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.966 1.018 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.875 0.021 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.005 0.920 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.333 0.838 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.436 2.359 4.219 1.00 0.00 H new ATOM 256 N LYS A 21 5.845 3.733 1.244 1.00 0.00 N ATOM 257 CA LYS A 21 6.832 4.044 0.224 1.00 0.00 C ATOM 258 C LYS A 21 8.176 4.338 0.894 1.00 0.00 C ATOM 259 O LYS A 21 9.199 3.767 0.520 1.00 0.00 O ATOM 260 CB LYS A 21 6.334 5.175 -0.677 1.00 0.00 C ATOM 261 CG LYS A 21 7.110 5.209 -1.995 1.00 0.00 C ATOM 262 CD LYS A 21 6.373 6.042 -3.045 1.00 0.00 C ATOM 263 CE LYS A 21 7.132 7.335 -3.352 1.00 0.00 C ATOM 264 NZ LYS A 21 6.653 7.929 -4.619 1.00 0.00 N ATOM 0 H LYS A 21 4.945 4.198 1.123 1.00 0.00 H new ATOM 0 HA LYS A 21 6.983 3.188 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.271 5.042 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.443 6.130 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.103 5.627 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.250 4.193 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.255 5.460 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.371 6.280 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.997 8.045 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.200 7.129 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.339 8.635 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.549 7.182 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.733 8.388 -4.461 1.00 0.00 H new ATOM 278 N ASP A 22 8.130 5.230 1.873 1.00 0.00 N ATOM 279 CA ASP A 22 9.331 5.608 2.599 1.00 0.00 C ATOM 280 C ASP A 22 10.145 4.352 2.917 1.00 0.00 C ATOM 281 O ASP A 22 11.374 4.397 2.950 1.00 0.00 O ATOM 282 CB ASP A 22 8.982 6.293 3.921 1.00 0.00 C ATOM 283 CG ASP A 22 8.848 7.815 3.845 1.00 0.00 C ATOM 284 OD1 ASP A 22 9.098 8.352 2.745 1.00 0.00 O ATOM 285 OD2 ASP A 22 8.499 8.407 4.890 1.00 0.00 O ATOM 0 H ASP A 22 7.280 5.702 2.180 1.00 0.00 H new ATOM 0 HA ASP A 22 9.900 6.297 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.044 5.879 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.750 6.047 4.654 1.00 0.00 H new ATOM 290 N LEU A 23 9.427 3.261 3.143 1.00 0.00 N ATOM 291 CA LEU A 23 10.068 1.996 3.457 1.00 0.00 C ATOM 292 C LEU A 23 10.292 1.208 2.165 1.00 0.00 C ATOM 293 O LEU A 23 11.284 0.492 2.034 1.00 0.00 O ATOM 294 CB LEU A 23 9.261 1.234 4.510 1.00 0.00 C ATOM 295 CG LEU A 23 9.295 1.809 5.928 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.470 0.950 6.888 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.736 1.987 6.412 1.00 0.00 C ATOM 0 H LEU A 23 8.408 3.228 3.115 1.00 0.00 H new ATOM 0 HA LEU A 23 11.049 2.166 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.222 1.191 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.627 0.208 4.547 1.00 0.00 H new ATOM 0 HG LEU A 23 8.837 2.798 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.511 1.381 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.435 0.918 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.876 -0.061 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.733 2.397 7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.241 1.021 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.262 2.670 5.745 1.00 0.00 H new ATOM 309 N LEU A 24 9.353 1.365 1.243 1.00 0.00 N ATOM 310 CA LEU A 24 9.436 0.677 -0.034 1.00 0.00 C ATOM 311 C LEU A 24 9.252 1.690 -1.166 1.00 0.00 C ATOM 312 O LEU A 24 8.214 1.706 -1.827 1.00 0.00 O ATOM 313 CB LEU A 24 8.443 -0.486 -0.081 1.00 0.00 C ATOM 314 CG LEU A 24 8.663 -1.598 0.946 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.541 -2.636 0.879 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.044 -2.234 0.778 1.00 0.00 C ATOM 0 H LEU A 24 8.531 1.959 1.355 1.00 0.00 H new ATOM 0 HA LEU A 24 10.421 0.229 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.438 -0.086 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.477 -0.927 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 24 8.632 -1.155 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.722 -3.415 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.586 -2.153 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.515 -3.080 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.175 -3.021 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.129 -2.660 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.814 -1.474 0.915 1.00 0.00 H new ATOM 328 N PRO A 25 10.302 2.531 -1.361 1.00 0.00 N ATOM 329 CA PRO A 25 10.266 3.544 -2.402 1.00 0.00 C ATOM 330 C PRO A 25 10.467 2.918 -3.784 1.00 0.00 C ATOM 331 O PRO A 25 9.899 3.385 -4.770 1.00 0.00 O ATOM 332 CB PRO A 25 11.363 4.529 -2.031 1.00 0.00 C ATOM 333 CG PRO A 25 12.274 3.792 -1.063 1.00 0.00 C ATOM 334 CD PRO A 25 11.547 2.541 -0.598 1.00 0.00 C ATOM 0 HA PRO A 25 9.301 4.048 -2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.912 4.853 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.945 5.424 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.214 3.529 -1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.522 4.428 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.137 1.645 -0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.354 2.571 0.474 1.00 0.00 H new ATOM 342 N ASP A 26 11.277 1.870 -3.811 1.00 0.00 N ATOM 343 CA ASP A 26 11.561 1.175 -5.055 1.00 0.00 C ATOM 344 C ASP A 26 10.252 0.938 -5.811 1.00 0.00 C ATOM 345 O ASP A 26 10.143 1.272 -6.990 1.00 0.00 O ATOM 346 CB ASP A 26 12.206 -0.187 -4.790 1.00 0.00 C ATOM 347 CG ASP A 26 13.725 -0.157 -4.610 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.416 0.007 -5.638 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.162 -0.301 -3.447 1.00 0.00 O ATOM 0 H ASP A 26 11.746 1.485 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 26 12.246 1.792 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.757 -0.617 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.966 -0.854 -5.618 1.00 0.00 H new ATOM 354 N LEU A 27 9.291 0.364 -5.102 1.00 0.00 N ATOM 355 CA LEU A 27 7.994 0.079 -5.692 1.00 0.00 C ATOM 356 C LEU A 27 7.302 1.395 -6.052 1.00 0.00 C ATOM 357 O LEU A 27 7.673 2.454 -5.549 1.00 0.00 O ATOM 358 CB LEU A 27 7.169 -0.815 -4.764 1.00 0.00 C ATOM 359 CG LEU A 27 7.699 -2.235 -4.555 1.00 0.00 C ATOM 360 CD1 LEU A 27 7.018 -2.904 -3.359 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.562 -3.066 -5.832 1.00 0.00 C ATOM 0 H LEU A 27 9.385 0.089 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 27 8.112 -0.484 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.098 -0.328 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.156 -0.881 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 27 8.763 -2.172 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.413 -3.912 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.212 -2.323 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.943 -2.955 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.946 -4.071 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.512 -3.124 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.130 -2.596 -6.635 1.00 0.00 H new ATOM 373 N GLY A 28 6.309 1.286 -6.922 1.00 0.00 N ATOM 374 CA GLY A 28 5.562 2.454 -7.356 1.00 0.00 C ATOM 375 C GLY A 28 4.339 2.685 -6.466 1.00 0.00 C ATOM 376 O GLY A 28 3.725 1.732 -5.988 1.00 0.00 O ATOM 0 H GLY A 28 6.004 0.406 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.206 3.333 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.244 2.323 -8.390 1.00 0.00 H new ATOM 380 N GLU A 29 4.021 3.956 -6.270 1.00 0.00 N ATOM 381 CA GLU A 29 2.883 4.324 -5.445 1.00 0.00 C ATOM 382 C GLU A 29 1.635 3.559 -5.891 1.00 0.00 C ATOM 383 O GLU A 29 0.959 2.936 -5.074 1.00 0.00 O ATOM 384 CB GLU A 29 2.643 5.835 -5.484 1.00 0.00 C ATOM 385 CG GLU A 29 3.384 6.537 -4.345 1.00 0.00 C ATOM 386 CD GLU A 29 3.058 8.032 -4.318 1.00 0.00 C ATOM 387 OE1 GLU A 29 3.107 8.643 -5.407 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.767 8.530 -3.209 1.00 0.00 O ATOM 0 H GLU A 29 4.532 4.744 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 29 3.104 4.051 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.977 6.235 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.575 6.039 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.108 6.084 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.458 6.398 -4.465 1.00 0.00 H new ATOM 395 N GLY A 30 1.367 3.632 -7.186 1.00 0.00 N ATOM 396 CA GLY A 30 0.212 2.954 -7.751 1.00 0.00 C ATOM 397 C GLY A 30 0.022 1.575 -7.116 1.00 0.00 C ATOM 398 O GLY A 30 -1.097 1.194 -6.776 1.00 0.00 O ATOM 0 H GLY A 30 1.930 4.150 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.682 3.557 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.339 2.848 -8.828 1.00 0.00 H new ATOM 402 N PHE A 31 1.131 0.865 -6.976 1.00 0.00 N ATOM 403 CA PHE A 31 1.101 -0.464 -6.389 1.00 0.00 C ATOM 404 C PHE A 31 1.028 -0.387 -4.862 1.00 0.00 C ATOM 405 O PHE A 31 0.442 -1.257 -4.220 1.00 0.00 O ATOM 406 CB PHE A 31 2.402 -1.161 -6.791 1.00 0.00 C ATOM 407 CG PHE A 31 2.699 -2.432 -5.992 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.151 -3.617 -6.373 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.511 -2.376 -4.903 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.427 -4.797 -5.632 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.787 -3.556 -4.162 1.00 0.00 C ATOM 412 CZ PHE A 31 3.239 -4.741 -4.542 1.00 0.00 C ATOM 0 H PHE A 31 2.057 1.185 -7.259 1.00 0.00 H new ATOM 0 HA PHE A 31 0.224 -1.006 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.355 -1.413 -7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.230 -0.463 -6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.506 -3.661 -7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.946 -1.435 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.992 -5.738 -5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.432 -3.512 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.448 -5.638 -3.978 1.00 0.00 H new ATOM 422 N ILE A 32 1.631 0.664 -4.325 1.00 0.00 N ATOM 423 CA ILE A 32 1.642 0.866 -2.887 1.00 0.00 C ATOM 424 C ILE A 32 0.232 1.226 -2.416 1.00 0.00 C ATOM 425 O ILE A 32 -0.176 0.846 -1.319 1.00 0.00 O ATOM 426 CB ILE A 32 2.702 1.899 -2.499 1.00 0.00 C ATOM 427 CG1 ILE A 32 4.093 1.455 -2.956 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.659 2.192 -0.998 1.00 0.00 C ATOM 429 CD1 ILE A 32 5.043 2.650 -3.064 1.00 0.00 C ATOM 0 H ILE A 32 2.115 1.384 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 32 1.924 -0.054 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 32 2.475 2.832 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.496 0.728 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.020 0.956 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.422 2.929 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.677 2.583 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.847 1.273 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.024 2.306 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.649 3.364 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.133 3.132 -2.091 1.00 0.00 H new ATOM 441 N LEU A 33 -0.474 1.955 -3.268 1.00 0.00 N ATOM 442 CA LEU A 33 -1.830 2.370 -2.953 1.00 0.00 C ATOM 443 C LEU A 33 -2.759 1.157 -3.020 1.00 0.00 C ATOM 444 O LEU A 33 -3.496 0.881 -2.073 1.00 0.00 O ATOM 445 CB LEU A 33 -2.261 3.525 -3.859 1.00 0.00 C ATOM 446 CG LEU A 33 -3.736 3.924 -3.783 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.611 2.943 -4.566 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.192 4.062 -2.329 1.00 0.00 C ATOM 0 H LEU A 33 -0.132 2.269 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.883 2.757 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.656 4.398 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.030 3.257 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.849 4.902 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.655 3.250 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.304 2.937 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.498 1.942 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.244 4.346 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.061 3.110 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.597 4.828 -1.832 1.00 0.00 H new ATOM 460 N ALA A 34 -2.695 0.464 -4.147 1.00 0.00 N ATOM 461 CA ALA A 34 -3.522 -0.714 -4.349 1.00 0.00 C ATOM 462 C ALA A 34 -3.437 -1.610 -3.112 1.00 0.00 C ATOM 463 O ALA A 34 -4.460 -1.975 -2.534 1.00 0.00 O ATOM 464 CB ALA A 34 -3.078 -1.436 -5.623 1.00 0.00 C ATOM 0 H ALA A 34 -2.083 0.695 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.567 -0.432 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.698 -2.320 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.185 -0.767 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.035 -1.737 -5.526 1.00 0.00 H new ATOM 470 N CYS A 35 -2.208 -1.939 -2.742 1.00 0.00 N ATOM 471 CA CYS A 35 -1.977 -2.786 -1.584 1.00 0.00 C ATOM 472 C CYS A 35 -2.792 -2.232 -0.413 1.00 0.00 C ATOM 473 O CYS A 35 -3.722 -2.881 0.062 1.00 0.00 O ATOM 474 CB CYS A 35 -0.488 -2.887 -1.245 1.00 0.00 C ATOM 475 SG CYS A 35 0.255 -4.318 -2.111 1.00 0.00 S ATOM 0 H CYS A 35 -1.362 -1.634 -3.223 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.303 -3.803 -1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.023 -1.969 -1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.358 -2.996 -0.168 1.00 0.00 H new ATOM 0 HG CYS A 35 1.519 -4.394 -1.818 1.00 0.00 H new ATOM 481 N LEU A 36 -2.412 -1.038 0.018 1.00 0.00 N ATOM 482 CA LEU A 36 -3.096 -0.389 1.123 1.00 0.00 C ATOM 483 C LEU A 36 -4.603 -0.617 0.990 1.00 0.00 C ATOM 484 O LEU A 36 -5.222 -1.228 1.860 1.00 0.00 O ATOM 485 CB LEU A 36 -2.702 1.087 1.205 1.00 0.00 C ATOM 486 CG LEU A 36 -1.475 1.408 2.060 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.848 2.740 1.642 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.821 1.380 3.550 1.00 0.00 C ATOM 0 H LEU A 36 -1.639 -0.503 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.789 -0.830 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.520 1.451 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.550 1.648 1.598 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.728 0.633 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.022 2.944 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.541 2.686 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.578 3.540 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.931 1.612 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.594 2.120 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.185 0.389 3.820 1.00 0.00 H new ATOM 500 N GLU A 37 -5.150 -0.114 -0.107 1.00 0.00 N ATOM 501 CA GLU A 37 -6.573 -0.256 -0.366 1.00 0.00 C ATOM 502 C GLU A 37 -7.038 -1.671 -0.016 1.00 0.00 C ATOM 503 O GLU A 37 -7.903 -1.850 0.840 1.00 0.00 O ATOM 504 CB GLU A 37 -6.902 0.086 -1.821 1.00 0.00 C ATOM 505 CG GLU A 37 -7.133 1.589 -1.992 1.00 0.00 C ATOM 506 CD GLU A 37 -8.233 1.861 -3.021 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.314 1.252 -2.870 1.00 0.00 O ATOM 508 OE2 GLU A 37 -7.967 2.672 -3.934 1.00 0.00 O ATOM 0 H GLU A 37 -4.634 0.392 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.110 0.449 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.086 -0.236 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.792 -0.460 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.409 2.029 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.207 2.069 -2.309 1.00 0.00 H new ATOM 515 N TYR A 38 -6.444 -2.640 -0.697 1.00 0.00 N ATOM 516 CA TYR A 38 -6.786 -4.033 -0.469 1.00 0.00 C ATOM 517 C TYR A 38 -6.706 -4.381 1.019 1.00 0.00 C ATOM 518 O TYR A 38 -7.596 -5.040 1.555 1.00 0.00 O ATOM 519 CB TYR A 38 -5.743 -4.854 -1.230 1.00 0.00 C ATOM 520 CG TYR A 38 -5.972 -6.365 -1.164 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.455 -7.097 -0.114 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.694 -6.997 -2.155 1.00 0.00 C ATOM 523 CE1 TYR A 38 -5.670 -8.519 -0.052 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.910 -8.420 -2.094 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.387 -9.111 -1.045 1.00 0.00 C ATOM 526 OH TYR A 38 -6.590 -10.454 -0.987 1.00 0.00 O ATOM 0 H TYR A 38 -5.728 -2.487 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.803 -4.238 -0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.742 -4.542 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.755 -4.629 -0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.889 -6.602 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.098 -6.425 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.271 -9.103 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.474 -8.927 -2.863 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.119 -10.739 -1.761 1.00 0.00 H new ATOM 536 N TYR A 39 -5.631 -3.923 1.644 1.00 0.00 N ATOM 537 CA TYR A 39 -5.423 -4.178 3.059 1.00 0.00 C ATOM 538 C TYR A 39 -6.076 -3.090 3.914 1.00 0.00 C ATOM 539 O TYR A 39 -5.484 -2.617 4.882 1.00 0.00 O ATOM 540 CB TYR A 39 -3.909 -4.139 3.276 1.00 0.00 C ATOM 541 CG TYR A 39 -3.164 -5.336 2.680 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.279 -6.581 3.264 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.377 -5.169 1.558 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.579 -7.707 2.702 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.677 -6.295 0.997 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.812 -7.508 1.597 1.00 0.00 C ATOM 547 OH TYR A 39 -1.150 -8.572 1.067 1.00 0.00 O ATOM 0 H TYR A 39 -4.895 -3.377 1.196 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.863 -5.133 3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.513 -3.223 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.707 -4.094 4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.894 -6.711 4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.287 -4.194 1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.661 -8.687 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.058 -6.179 0.119 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.647 -8.915 0.295 1.00 0.00 H new ATOM 557 N HIS A 40 -7.289 -2.725 3.524 1.00 0.00 N ATOM 558 CA HIS A 40 -8.029 -1.702 4.243 1.00 0.00 C ATOM 559 C HIS A 40 -7.079 -0.577 4.658 1.00 0.00 C ATOM 560 O HIS A 40 -6.944 -0.279 5.844 1.00 0.00 O ATOM 561 CB HIS A 40 -8.784 -2.308 5.427 1.00 0.00 C ATOM 562 CG HIS A 40 -9.928 -3.211 5.030 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.997 -2.774 4.267 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.157 -4.529 5.296 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.827 -3.792 4.089 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.304 -4.878 4.728 1.00 0.00 N ATOM 0 H HIS A 40 -7.777 -3.119 2.720 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.785 -1.268 3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.083 -2.875 6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.171 -1.501 6.049 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.514 -5.178 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.754 -3.766 3.536 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.726 -5.806 4.763 1.00 0.00 H new ATOM 574 N TYR A 41 -6.444 0.018 3.659 1.00 0.00 N ATOM 575 CA TYR A 41 -5.510 1.103 3.905 1.00 0.00 C ATOM 576 C TYR A 41 -4.700 0.851 5.179 1.00 0.00 C ATOM 577 O TYR A 41 -4.668 1.693 6.075 1.00 0.00 O ATOM 578 CB TYR A 41 -6.363 2.358 4.098 1.00 0.00 C ATOM 579 CG TYR A 41 -7.036 2.856 2.817 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.267 3.302 1.762 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.413 2.859 2.717 1.00 0.00 C ATOM 582 CE1 TYR A 41 -6.900 3.770 0.557 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.046 3.327 1.511 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.258 3.760 0.491 1.00 0.00 C ATOM 585 OH TYR A 41 -8.856 4.202 -0.648 1.00 0.00 O ATOM 0 H TYR A 41 -6.558 -0.231 2.677 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.806 1.198 3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.131 2.152 4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.735 3.154 4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.190 3.300 1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.015 2.510 3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.309 4.121 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.122 3.334 1.419 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.829 4.136 -0.553 1.00 0.00 H new ATOM 595 N ASP A 42 -4.067 -0.312 5.219 1.00 0.00 N ATOM 596 CA ASP A 42 -3.260 -0.686 6.368 1.00 0.00 C ATOM 597 C ASP A 42 -1.783 -0.687 5.969 1.00 0.00 C ATOM 598 O ASP A 42 -1.394 -1.358 5.014 1.00 0.00 O ATOM 599 CB ASP A 42 -3.618 -2.090 6.859 1.00 0.00 C ATOM 600 CG ASP A 42 -4.980 -2.207 7.545 1.00 0.00 C ATOM 601 OD1 ASP A 42 -5.329 -1.258 8.281 1.00 0.00 O ATOM 602 OD2 ASP A 42 -5.643 -3.242 7.319 1.00 0.00 O ATOM 0 H ASP A 42 -4.097 -1.008 4.474 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.452 0.034 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.596 -2.772 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.848 -2.423 7.555 1.00 0.00 H new ATOM 607 N PRO A 43 -0.978 0.092 6.741 1.00 0.00 N ATOM 608 CA PRO A 43 0.447 0.187 6.478 1.00 0.00 C ATOM 609 C PRO A 43 1.175 -1.078 6.936 1.00 0.00 C ATOM 610 O PRO A 43 1.819 -1.753 6.135 1.00 0.00 O ATOM 611 CB PRO A 43 0.902 1.435 7.218 1.00 0.00 C ATOM 612 CG PRO A 43 -0.182 1.730 8.242 1.00 0.00 C ATOM 613 CD PRO A 43 -1.404 0.900 7.880 1.00 0.00 C ATOM 0 HA PRO A 43 0.674 0.266 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.864 1.272 7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.029 2.272 6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.164 1.483 9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.428 2.792 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.719 0.273 8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.251 1.535 7.621 1.00 0.00 H new ATOM 621 N GLU A 44 1.048 -1.362 8.224 1.00 0.00 N ATOM 622 CA GLU A 44 1.685 -2.534 8.799 1.00 0.00 C ATOM 623 C GLU A 44 1.393 -3.769 7.945 1.00 0.00 C ATOM 624 O GLU A 44 2.310 -4.495 7.563 1.00 0.00 O ATOM 625 CB GLU A 44 1.236 -2.749 10.246 1.00 0.00 C ATOM 626 CG GLU A 44 2.438 -2.959 11.168 1.00 0.00 C ATOM 627 CD GLU A 44 2.008 -3.585 12.496 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.312 -4.622 12.436 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.384 -3.013 13.542 1.00 0.00 O ATOM 0 H GLU A 44 0.513 -0.800 8.886 1.00 0.00 H new ATOM 0 HA GLU A 44 2.762 -2.369 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.660 -1.887 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.576 -3.615 10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.168 -3.603 10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.929 -2.004 11.354 1.00 0.00 H new ATOM 636 N GLN A 45 0.113 -3.971 7.671 1.00 0.00 N ATOM 637 CA GLN A 45 -0.312 -5.106 6.870 1.00 0.00 C ATOM 638 C GLN A 45 0.489 -5.165 5.568 1.00 0.00 C ATOM 639 O GLN A 45 1.207 -6.134 5.320 1.00 0.00 O ATOM 640 CB GLN A 45 -1.814 -5.046 6.587 1.00 0.00 C ATOM 641 CG GLN A 45 -2.623 -5.345 7.851 1.00 0.00 C ATOM 642 CD GLN A 45 -4.043 -5.792 7.500 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.304 -6.351 6.447 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.945 -5.515 8.438 1.00 0.00 N ATOM 0 H GLN A 45 -0.645 -3.367 7.990 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.119 -6.018 7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.077 -4.058 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.070 -5.765 5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.126 -6.123 8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.663 -4.456 8.480 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.660 -5.045 9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.922 -5.773 8.298 1.00 0.00 H new ATOM 653 N VAL A 46 0.341 -4.118 4.770 1.00 0.00 N ATOM 654 CA VAL A 46 1.042 -4.039 3.500 1.00 0.00 C ATOM 655 C VAL A 46 2.470 -4.557 3.678 1.00 0.00 C ATOM 656 O VAL A 46 2.825 -5.607 3.143 1.00 0.00 O ATOM 657 CB VAL A 46 0.988 -2.608 2.961 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.820 -2.472 1.684 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.457 -2.166 2.722 1.00 0.00 C ATOM 0 H VAL A 46 -0.255 -3.317 4.979 1.00 0.00 H new ATOM 0 HA VAL A 46 0.557 -4.671 2.756 1.00 0.00 H new ATOM 0 HB VAL A 46 1.420 -1.950 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.765 -1.446 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.858 -2.726 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.430 -3.147 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.467 -1.146 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.925 -2.830 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.010 -2.207 3.660 1.00 0.00 H new ATOM 669 N ILE A 47 3.252 -3.797 4.430 1.00 0.00 N ATOM 670 CA ILE A 47 4.634 -4.166 4.685 1.00 0.00 C ATOM 671 C ILE A 47 4.697 -5.641 5.089 1.00 0.00 C ATOM 672 O ILE A 47 5.358 -6.441 4.429 1.00 0.00 O ATOM 673 CB ILE A 47 5.261 -3.220 5.711 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.365 -1.799 5.154 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.615 -3.749 6.189 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.572 -0.783 6.280 1.00 0.00 C ATOM 0 H ILE A 47 2.955 -2.927 4.871 1.00 0.00 H new ATOM 0 HA ILE A 47 5.231 -4.057 3.779 1.00 0.00 H new ATOM 0 HB ILE A 47 4.607 -3.178 6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.195 -1.740 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.459 -1.554 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.039 -3.058 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.481 -4.727 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.291 -3.840 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.643 0.219 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.729 -0.827 6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.492 -1.016 6.816 1.00 0.00 H new ATOM 688 N ASN A 48 4.001 -5.955 6.172 1.00 0.00 N ATOM 689 CA ASN A 48 3.970 -7.319 6.672 1.00 0.00 C ATOM 690 C ASN A 48 3.777 -8.283 5.500 1.00 0.00 C ATOM 691 O ASN A 48 4.604 -9.165 5.274 1.00 0.00 O ATOM 692 CB ASN A 48 2.809 -7.521 7.647 1.00 0.00 C ATOM 693 CG ASN A 48 3.269 -7.334 9.094 1.00 0.00 C ATOM 694 OD1 ASN A 48 4.193 -7.975 9.567 1.00 0.00 O ATOM 695 ND2 ASN A 48 2.573 -6.424 9.769 1.00 0.00 N ATOM 0 H ASN A 48 3.454 -5.288 6.717 1.00 0.00 H new ATOM 0 HA ASN A 48 4.911 -7.511 7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.012 -6.813 7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.393 -8.520 7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.801 -6.227 10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.811 -5.923 9.312 1.00 0.00 H new ATOM 702 N ASN A 49 2.679 -8.082 4.785 1.00 0.00 N ATOM 703 CA ASN A 49 2.367 -8.923 3.642 1.00 0.00 C ATOM 704 C ASN A 49 3.626 -9.112 2.794 1.00 0.00 C ATOM 705 O ASN A 49 4.139 -10.224 2.678 1.00 0.00 O ATOM 706 CB ASN A 49 1.296 -8.277 2.759 1.00 0.00 C ATOM 707 CG ASN A 49 0.129 -7.761 3.603 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.285 -6.617 3.504 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.378 -8.665 4.437 1.00 0.00 N ATOM 0 H ASN A 49 1.995 -7.349 4.975 1.00 0.00 H new ATOM 0 HA ASN A 49 1.999 -9.878 4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.733 -7.454 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.931 -9.003 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.160 -8.418 5.043 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.015 -9.605 4.470 1.00 0.00 H new ATOM 716 N ILE A 50 4.089 -8.009 2.224 1.00 0.00 N ATOM 717 CA ILE A 50 5.279 -8.040 1.390 1.00 0.00 C ATOM 718 C ILE A 50 6.393 -8.786 2.127 1.00 0.00 C ATOM 719 O ILE A 50 7.056 -9.646 1.550 1.00 0.00 O ATOM 720 CB ILE A 50 5.667 -6.625 0.959 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.633 -6.043 -0.008 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.080 -6.599 0.371 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.584 -4.517 0.096 1.00 0.00 C ATOM 0 H ILE A 50 3.662 -7.088 2.323 1.00 0.00 H new ATOM 0 HA ILE A 50 5.085 -8.587 0.468 1.00 0.00 H new ATOM 0 HB ILE A 50 5.674 -5.988 1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.880 -6.334 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.649 -6.458 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.331 -5.581 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.792 -6.944 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.124 -7.254 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.842 -4.128 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.313 -4.230 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.563 -4.104 -0.149 1.00 0.00 H new ATOM 735 N LEU A 51 6.564 -8.430 3.392 1.00 0.00 N ATOM 736 CA LEU A 51 7.586 -9.055 4.213 1.00 0.00 C ATOM 737 C LEU A 51 7.388 -10.572 4.201 1.00 0.00 C ATOM 738 O LEU A 51 8.333 -11.323 3.963 1.00 0.00 O ATOM 739 CB LEU A 51 7.591 -8.447 5.618 1.00 0.00 C ATOM 740 CG LEU A 51 8.520 -7.249 5.827 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.258 -6.583 7.179 1.00 0.00 C ATOM 742 CD2 LEU A 51 9.985 -7.657 5.662 1.00 0.00 C ATOM 0 H LEU A 51 6.012 -7.717 3.868 1.00 0.00 H new ATOM 0 HA LEU A 51 8.576 -8.859 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.574 -8.140 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.869 -9.226 6.328 1.00 0.00 H new ATOM 0 HG LEU A 51 8.304 -6.509 5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.931 -5.735 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.225 -6.236 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.431 -7.303 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.624 -6.788 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.234 -8.424 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.142 -8.050 4.658 1.00 0.00 H new ATOM 754 N GLU A 52 6.153 -10.977 4.459 1.00 0.00 N ATOM 755 CA GLU A 52 5.819 -12.391 4.480 1.00 0.00 C ATOM 756 C GLU A 52 5.390 -12.856 3.087 1.00 0.00 C ATOM 757 O GLU A 52 4.747 -13.895 2.946 1.00 0.00 O ATOM 758 CB GLU A 52 4.730 -12.682 5.515 1.00 0.00 C ATOM 759 CG GLU A 52 5.229 -12.396 6.932 1.00 0.00 C ATOM 760 CD GLU A 52 5.454 -13.696 7.707 1.00 0.00 C ATOM 761 OE1 GLU A 52 6.254 -14.520 7.213 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.822 -13.836 8.776 1.00 0.00 O ATOM 0 H GLU A 52 5.372 -10.351 4.655 1.00 0.00 H new ATOM 0 HA GLU A 52 6.709 -12.950 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.852 -12.072 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.420 -13.724 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.159 -11.830 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.504 -11.775 7.458 1.00 0.00 H new ATOM 769 N GLU A 53 5.765 -12.065 2.093 1.00 0.00 N ATOM 770 CA GLU A 53 5.427 -12.382 0.716 1.00 0.00 C ATOM 771 C GLU A 53 3.996 -12.918 0.630 1.00 0.00 C ATOM 772 O GLU A 53 3.701 -13.779 -0.196 1.00 0.00 O ATOM 773 CB GLU A 53 6.423 -13.382 0.123 1.00 0.00 C ATOM 774 CG GLU A 53 7.570 -12.658 -0.585 1.00 0.00 C ATOM 775 CD GLU A 53 7.667 -13.088 -2.051 1.00 0.00 C ATOM 776 OE1 GLU A 53 8.170 -14.209 -2.281 1.00 0.00 O ATOM 777 OE2 GLU A 53 7.235 -12.286 -2.907 1.00 0.00 O ATOM 0 H GLU A 53 6.300 -11.205 2.214 1.00 0.00 H new ATOM 0 HA GLU A 53 5.487 -11.466 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.822 -14.016 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.911 -14.036 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.415 -11.581 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.510 -12.873 -0.076 1.00 0.00 H new ATOM 784 N ARG A 54 3.146 -12.384 1.495 1.00 0.00 N ATOM 785 CA ARG A 54 1.753 -12.798 1.527 1.00 0.00 C ATOM 786 C ARG A 54 0.889 -11.812 0.739 1.00 0.00 C ATOM 787 O ARG A 54 -0.243 -11.525 1.128 1.00 0.00 O ATOM 788 CB ARG A 54 1.237 -12.882 2.965 1.00 0.00 C ATOM 789 CG ARG A 54 1.839 -14.085 3.694 1.00 0.00 C ATOM 790 CD ARG A 54 0.807 -14.742 4.613 1.00 0.00 C ATOM 791 NE ARG A 54 -0.172 -15.507 3.808 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.231 -16.147 4.323 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.454 -16.118 5.644 1.00 0.00 N ATOM 794 NH2 ARG A 54 -2.067 -16.816 3.517 1.00 0.00 N ATOM 0 H ARG A 54 3.395 -11.669 2.179 1.00 0.00 H new ATOM 0 HA ARG A 54 1.689 -13.786 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.488 -11.966 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.150 -12.961 2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.199 -14.813 2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.701 -13.766 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.307 -15.405 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.293 -13.981 5.199 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.032 -15.550 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.818 -15.609 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.260 -16.605 6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.897 -16.838 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.873 -17.303 3.909 1.00 0.00 H new ATOM 808 N LEU A 55 1.454 -11.320 -0.353 1.00 0.00 N ATOM 809 CA LEU A 55 0.749 -10.372 -1.199 1.00 0.00 C ATOM 810 C LEU A 55 -0.291 -11.119 -2.037 1.00 0.00 C ATOM 811 O LEU A 55 0.008 -12.160 -2.620 1.00 0.00 O ATOM 812 CB LEU A 55 1.740 -9.557 -2.032 1.00 0.00 C ATOM 813 CG LEU A 55 2.292 -8.293 -1.371 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.171 -7.504 -2.343 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.162 -7.436 -0.796 1.00 0.00 C ATOM 0 H LEU A 55 2.393 -11.560 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 55 0.208 -9.647 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.579 -10.201 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.252 -9.272 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 55 2.925 -8.594 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.550 -6.610 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.008 -8.125 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.582 -7.214 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.582 -6.544 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.484 -7.143 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.614 -8.010 -0.049 1.00 0.00 H new ATOM 827 N ALA A 56 -1.490 -10.557 -2.071 1.00 0.00 N ATOM 828 CA ALA A 56 -2.576 -11.156 -2.828 1.00 0.00 C ATOM 829 C ALA A 56 -2.101 -11.441 -4.255 1.00 0.00 C ATOM 830 O ALA A 56 -1.110 -10.870 -4.708 1.00 0.00 O ATOM 831 CB ALA A 56 -3.795 -10.232 -2.793 1.00 0.00 C ATOM 0 H ALA A 56 -1.734 -9.693 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.875 -12.106 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.609 -10.682 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.111 -10.085 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.535 -9.269 -3.233 1.00 0.00 H new ATOM 837 N PRO A 57 -2.850 -12.346 -4.940 1.00 0.00 N ATOM 838 CA PRO A 57 -2.515 -12.713 -6.306 1.00 0.00 C ATOM 839 C PRO A 57 -2.903 -11.601 -7.283 1.00 0.00 C ATOM 840 O PRO A 57 -2.515 -11.632 -8.449 1.00 0.00 O ATOM 841 CB PRO A 57 -3.262 -14.013 -6.558 1.00 0.00 C ATOM 842 CG PRO A 57 -4.348 -14.082 -5.496 1.00 0.00 C ATOM 843 CD PRO A 57 -4.029 -13.042 -4.435 1.00 0.00 C ATOM 0 HA PRO A 57 -1.444 -12.849 -6.455 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.693 -14.028 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.591 -14.869 -6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.326 -13.890 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.388 -15.078 -5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.863 -12.355 -4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.830 -13.509 -3.470 1.00 0.00 H new ATOM 851 N THR A 58 -3.665 -10.646 -6.770 1.00 0.00 N ATOM 852 CA THR A 58 -4.110 -9.527 -7.583 1.00 0.00 C ATOM 853 C THR A 58 -3.158 -8.340 -7.422 1.00 0.00 C ATOM 854 O THR A 58 -3.090 -7.472 -8.291 1.00 0.00 O ATOM 855 CB THR A 58 -5.554 -9.205 -7.194 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.141 -8.731 -8.403 1.00 0.00 O ATOM 857 CG2 THR A 58 -5.652 -8.012 -6.241 1.00 0.00 C ATOM 0 H THR A 58 -3.985 -10.624 -5.802 1.00 0.00 H new ATOM 0 HA THR A 58 -4.092 -9.776 -8.644 1.00 0.00 H new ATOM 0 HB THR A 58 -6.008 -10.080 -6.729 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.080 -8.500 -8.242 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.698 -7.826 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.099 -8.230 -5.327 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.229 -7.129 -6.719 1.00 0.00 H new ATOM 865 N LEU A 59 -2.447 -8.340 -6.304 1.00 0.00 N ATOM 866 CA LEU A 59 -1.502 -7.273 -6.018 1.00 0.00 C ATOM 867 C LEU A 59 -0.104 -7.703 -6.466 1.00 0.00 C ATOM 868 O LEU A 59 0.595 -6.949 -7.142 1.00 0.00 O ATOM 869 CB LEU A 59 -1.579 -6.871 -4.544 1.00 0.00 C ATOM 870 CG LEU A 59 -2.986 -6.744 -3.956 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.933 -6.611 -2.433 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.749 -5.588 -4.606 1.00 0.00 C ATOM 0 H LEU A 59 -2.506 -9.062 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.757 -6.376 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.027 -7.606 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.068 -5.916 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.535 -7.659 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.946 -6.522 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.455 -7.493 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.361 -5.723 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.746 -5.519 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.212 -4.655 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.833 -5.765 -5.678 1.00 0.00 H new ATOM 884 N SER A 60 0.263 -8.913 -6.071 1.00 0.00 N ATOM 885 CA SER A 60 1.566 -9.452 -6.424 1.00 0.00 C ATOM 886 C SER A 60 1.732 -9.469 -7.945 1.00 0.00 C ATOM 887 O SER A 60 2.852 -9.502 -8.450 1.00 0.00 O ATOM 888 CB SER A 60 1.752 -10.861 -5.855 1.00 0.00 C ATOM 889 OG SER A 60 3.093 -11.093 -5.432 1.00 0.00 O ATOM 0 H SER A 60 -0.319 -9.536 -5.510 1.00 0.00 H new ATOM 0 HA SER A 60 2.331 -8.809 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.076 -11.004 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.478 -11.597 -6.611 1.00 0.00 H new ATOM 0 HG SER A 60 3.170 -12.002 -5.074 1.00 0.00 H new ATOM 895 N GLN A 61 0.599 -9.444 -8.632 1.00 0.00 N ATOM 896 CA GLN A 61 0.604 -9.456 -10.084 1.00 0.00 C ATOM 897 C GLN A 61 0.685 -8.027 -10.626 1.00 0.00 C ATOM 898 O GLN A 61 1.254 -7.795 -11.692 1.00 0.00 O ATOM 899 CB GLN A 61 -0.627 -10.180 -10.632 1.00 0.00 C ATOM 900 CG GLN A 61 -1.911 -9.433 -10.266 1.00 0.00 C ATOM 901 CD GLN A 61 -3.093 -9.934 -11.098 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.751 -10.907 -10.768 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.325 -9.216 -12.194 1.00 0.00 N ATOM 0 H GLN A 61 -0.329 -9.415 -8.209 1.00 0.00 H new ATOM 0 HA GLN A 61 1.485 -10.003 -10.420 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.549 -10.267 -11.716 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.665 -11.193 -10.232 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.125 -9.568 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.773 -8.364 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.735 -8.413 -12.412 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.092 -9.469 -12.817 1.00 0.00 H new ATOM 912 N LEU A 62 0.108 -7.107 -9.867 1.00 0.00 N ATOM 913 CA LEU A 62 0.108 -5.707 -10.258 1.00 0.00 C ATOM 914 C LEU A 62 1.541 -5.268 -10.567 1.00 0.00 C ATOM 915 O LEU A 62 2.497 -5.937 -10.175 1.00 0.00 O ATOM 916 CB LEU A 62 -0.580 -4.853 -9.191 1.00 0.00 C ATOM 917 CG LEU A 62 -2.089 -4.663 -9.356 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.696 -3.999 -8.119 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.407 -3.888 -10.637 1.00 0.00 C ATOM 0 H LEU A 62 -0.363 -7.303 -8.984 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.473 -5.566 -11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.395 -5.305 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.109 -3.870 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.549 -5.647 -9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.769 -3.875 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.516 -4.625 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.236 -3.023 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.486 -3.767 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.934 -2.907 -10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.028 -4.438 -11.498 1.00 0.00 H new ATOM 931 N ASP A 63 1.645 -4.147 -11.265 1.00 0.00 N ATOM 932 CA ASP A 63 2.945 -3.611 -11.631 1.00 0.00 C ATOM 933 C ASP A 63 3.669 -3.136 -10.369 1.00 0.00 C ATOM 934 O ASP A 63 3.247 -2.171 -9.734 1.00 0.00 O ATOM 935 CB ASP A 63 2.803 -2.415 -12.573 1.00 0.00 C ATOM 936 CG ASP A 63 3.563 -2.538 -13.895 1.00 0.00 C ATOM 937 OD1 ASP A 63 3.070 -3.288 -14.765 1.00 0.00 O ATOM 938 OD2 ASP A 63 4.620 -1.881 -14.005 1.00 0.00 O ATOM 0 H ASP A 63 0.850 -3.595 -11.587 1.00 0.00 H new ATOM 0 HA ASP A 63 3.506 -4.400 -12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.745 -2.268 -12.792 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.149 -1.521 -12.055 1.00 0.00 H new ATOM 943 N ARG A 64 4.747 -3.835 -10.044 1.00 0.00 N ATOM 944 CA ARG A 64 5.533 -3.496 -8.870 1.00 0.00 C ATOM 945 C ARG A 64 5.856 -2.001 -8.861 1.00 0.00 C ATOM 946 O ARG A 64 5.898 -1.378 -7.802 1.00 0.00 O ATOM 947 CB ARG A 64 6.838 -4.294 -8.833 1.00 0.00 C ATOM 948 CG ARG A 64 6.575 -5.761 -8.488 1.00 0.00 C ATOM 949 CD ARG A 64 7.462 -6.219 -7.328 1.00 0.00 C ATOM 950 NE ARG A 64 8.863 -6.356 -7.786 1.00 0.00 N ATOM 951 CZ ARG A 64 9.915 -6.454 -6.963 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.733 -6.431 -5.635 1.00 0.00 N ATOM 953 NH2 ARG A 64 11.151 -6.576 -7.467 1.00 0.00 N ATOM 0 H ARG A 64 5.094 -4.635 -10.573 1.00 0.00 H new ATOM 0 HA ARG A 64 4.941 -3.748 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.336 -4.228 -9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.513 -3.859 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.526 -5.894 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.764 -6.384 -9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.406 -5.500 -6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.103 -7.172 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 64 9.038 -6.377 -8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.793 -6.339 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.535 -6.506 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.290 -6.594 -8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.952 -6.651 -6.840 1.00 0.00 H new ATOM 967 N ASN A 65 6.076 -1.468 -10.054 1.00 0.00 N ATOM 968 CA ASN A 65 6.394 -0.058 -10.197 1.00 0.00 C ATOM 969 C ASN A 65 5.216 0.662 -10.856 1.00 0.00 C ATOM 970 O ASN A 65 5.386 1.338 -11.870 1.00 0.00 O ATOM 971 CB ASN A 65 7.626 0.142 -11.082 1.00 0.00 C ATOM 972 CG ASN A 65 7.396 -0.434 -12.481 1.00 0.00 C ATOM 973 OD1 ASN A 65 7.044 0.264 -13.418 1.00 0.00 O ATOM 974 ND2 ASN A 65 7.613 -1.743 -12.569 1.00 0.00 N ATOM 0 H ASN A 65 6.040 -1.988 -10.931 1.00 0.00 H new ATOM 0 HA ASN A 65 6.594 0.345 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.856 1.205 -11.156 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.489 -0.340 -10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.486 -2.222 -13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.906 -2.268 -11.745 1.00 0.00 H new ATOM 981 N LEU A 66 4.048 0.493 -10.254 1.00 0.00 N ATOM 982 CA LEU A 66 2.842 1.118 -10.770 1.00 0.00 C ATOM 983 C LEU A 66 2.793 2.577 -10.311 1.00 0.00 C ATOM 984 O LEU A 66 2.990 2.868 -9.132 1.00 0.00 O ATOM 985 CB LEU A 66 1.607 0.307 -10.374 1.00 0.00 C ATOM 986 CG LEU A 66 0.299 0.697 -11.066 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.007 -0.245 -12.232 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.854 0.760 -10.062 1.00 0.00 C ATOM 0 H LEU A 66 3.911 -0.068 -9.413 1.00 0.00 H new ATOM 0 HA LEU A 66 2.853 1.126 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.805 -0.745 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.467 0.398 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 66 0.418 1.697 -11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.942 0.055 -12.706 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.802 -0.196 -12.961 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.099 -1.266 -11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.772 1.039 -10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.983 -0.216 -9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.629 1.502 -9.296 1.00 0.00 H new ATOM 1000 N ASP A 67 2.529 3.456 -11.267 1.00 0.00 N ATOM 1001 CA ASP A 67 2.451 4.877 -10.975 1.00 0.00 C ATOM 1002 C ASP A 67 0.992 5.263 -10.725 1.00 0.00 C ATOM 1003 O ASP A 67 0.085 4.473 -10.980 1.00 0.00 O ATOM 1004 CB ASP A 67 2.965 5.709 -12.152 1.00 0.00 C ATOM 1005 CG ASP A 67 2.865 7.225 -11.965 1.00 0.00 C ATOM 1006 OD1 ASP A 67 3.132 7.675 -10.830 1.00 0.00 O ATOM 1007 OD2 ASP A 67 2.523 7.898 -12.961 1.00 0.00 O ATOM 0 H ASP A 67 2.367 3.211 -12.244 1.00 0.00 H new ATOM 0 HA ASP A 67 3.065 5.075 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.008 5.448 -12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.406 5.431 -13.046 1.00 0.00 H new