USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 830 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 644 GLN : amide:sc= -2.06! C(o=-0.9!,f=-2.2!) USER MOD Set 1.2: A 714 TYR OH : rot 66:sc= 1.16 USER MOD Set 2.1: A 692 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 711 ASN : amide:sc= -1.57! C(o=-2.6!,f=-6.6!) USER MOD Set 2.3: A 715 ASN : amide:sc= -1.07! K(o=-2.6!,f=-6.6) USER MOD Set 3.1: A 640 SER OG : rot 79:sc= 1.22 USER MOD Set 3.2: A 654 ASN : amide:sc= 0.324 K(o=1.5,f=-2.7) USER MOD Set 4.1: A 597 SER OG : rot 13:sc= 0.268 USER MOD Set 4.2: A 598 GLN : amide:sc= -3.43! C(o=-3.2!,f=-3.9!) USER MOD Single : A 587 THR OG1 : rot -155:sc= 0.392 USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 609 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 610 LYS NZ :NH3+ -166:sc= -0.0234 (180deg=-0.284) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 23:sc= -0.58 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -45:sc= 0.986 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HE2:sc= -2.5! C(o=-2.4!,f=-5.6!) USER MOD Single : A 626 ASN : amide:sc= 0.186! C(o=0.19!,f=-7.4!) USER MOD Single : A 632 SER OG : rot -170:sc= 0 USER MOD Single : A 646 SER OG : rot 154:sc= 1.96 USER MOD Single : A 648 SER OG : rot -120:sc= -0.115 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 170:sc= -1.27 USER MOD Single : A 659 ASN : amide:sc= -3.39! C(o=-3.4!,f=-7.2!) USER MOD Single : A 661 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.13) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot -164:sc= 0.0455 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 670 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.36) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -166:sc= 1.33 USER MOD Single : A 677 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 679 TYR OH : rot -176:sc= -2.17! USER MOD Single : A 685 THR OG1 : rot 41:sc= 0.0939 USER MOD Single : A 689 THR OG1 : rot -150:sc= -1.52! USER MOD Single : A 706 TYR OH : rot 180:sc= 0.636 USER MOD Single : A 707 GLN : amide:sc= -2.94! C(o=-2.9!,f=-7.8!) USER MOD Single : A 712 SER OG : rot 170:sc= 0 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= -0.79 USER MOD Single : A 720 THR OG1 : rot 35:sc= 0.0781 USER MOD Single : A 721 SER OG : rot 180:sc= 0.00985 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -16.177 -9.199 -0.135 1.00 32.54 N ATOM 137 CA THR A 587 -16.683 -8.743 1.132 1.00 61.40 C ATOM 138 C THR A 587 -15.992 -7.438 1.461 1.00 1.03 C ATOM 139 O THR A 587 -14.808 -7.262 1.125 1.00 10.13 O ATOM 140 CB THR A 587 -16.435 -9.773 2.279 1.00 52.24 C ATOM 141 OG1 THR A 587 -17.052 -9.342 3.490 1.00 24.42 O ATOM 142 CG2 THR A 587 -14.967 -9.938 2.532 1.00 11.44 C ATOM 0 HA THR A 587 -17.763 -8.616 1.052 1.00 61.40 H new ATOM 0 HB THR A 587 -16.867 -10.722 1.963 1.00 52.24 H new ATOM 0 HG1 THR A 587 -16.591 -9.747 4.254 1.00 24.42 H new ATOM 0 HG21 THR A 587 -14.815 -10.660 3.335 1.00 11.44 H new ATOM 0 HG22 THR A 587 -14.479 -10.296 1.625 1.00 11.44 H new ATOM 0 HG23 THR A 587 -14.537 -8.979 2.821 1.00 11.44 H new ATOM 148 N GLU A 588 -16.700 -6.514 2.031 1.00 71.55 N ATOM 149 CA GLU A 588 -16.101 -5.274 2.398 1.00 23.04 C ATOM 150 C GLU A 588 -16.234 -5.062 3.882 1.00 44.22 C ATOM 151 O GLU A 588 -17.353 -5.089 4.419 1.00 3.13 O ATOM 152 CB GLU A 588 -16.744 -4.129 1.657 1.00 43.44 C ATOM 153 CG GLU A 588 -16.034 -2.812 1.857 1.00 23.22 C ATOM 154 CD GLU A 588 -16.711 -1.698 1.148 1.00 22.30 C ATOM 155 OE1 GLU A 588 -16.862 -1.785 -0.090 1.00 73.24 O ATOM 156 OE2 GLU A 588 -17.125 -0.725 1.806 1.00 13.41 O ATOM 0 H GLU A 588 -17.693 -6.597 2.251 1.00 71.55 H new ATOM 0 HA GLU A 588 -15.045 -5.308 2.130 1.00 23.04 H new ATOM 0 HB2 GLU A 588 -16.768 -4.362 0.593 1.00 43.44 H new ATOM 0 HB3 GLU A 588 -17.779 -4.029 1.985 1.00 43.44 H new ATOM 0 HG2 GLU A 588 -15.984 -2.586 2.922 1.00 23.22 H new ATOM 0 HG3 GLU A 588 -15.007 -2.897 1.501 1.00 23.22 H new ATOM 163 N GLY A 589 -15.118 -4.869 4.535 1.00 70.23 N ATOM 164 CA GLY A 589 -15.110 -4.620 5.949 1.00 34.15 C ATOM 165 C GLY A 589 -15.185 -3.145 6.226 1.00 3.33 C ATOM 166 O GLY A 589 -15.587 -2.362 5.350 1.00 52.41 O ATOM 0 H GLY A 589 -14.194 -4.880 4.102 1.00 70.23 H new ATOM 0 HA2 GLY A 589 -15.953 -5.127 6.418 1.00 34.15 H new ATOM 0 HA3 GLY A 589 -14.204 -5.033 6.391 1.00 34.15 H new ATOM 170 N ASP A 590 -14.800 -2.742 7.400 1.00 63.11 N ATOM 171 CA ASP A 590 -14.856 -1.333 7.743 1.00 34.32 C ATOM 172 C ASP A 590 -13.566 -0.850 8.344 1.00 41.41 C ATOM 173 O ASP A 590 -13.146 0.284 8.099 1.00 24.30 O ATOM 174 CB ASP A 590 -16.017 -1.030 8.688 1.00 40.13 C ATOM 175 CG ASP A 590 -16.083 0.437 9.027 1.00 22.23 C ATOM 176 OD1 ASP A 590 -16.551 1.225 8.184 1.00 5.50 O ATOM 177 OD2 ASP A 590 -15.672 0.835 10.127 1.00 20.44 O ATOM 0 H ASP A 590 -14.446 -3.353 8.136 1.00 63.11 H new ATOM 0 HA ASP A 590 -15.019 -0.795 6.809 1.00 34.32 H new ATOM 0 HB2 ASP A 590 -16.954 -1.341 8.226 1.00 40.13 H new ATOM 0 HB3 ASP A 590 -15.904 -1.612 9.603 1.00 40.13 H new ATOM 182 N ASN A 591 -12.945 -1.691 9.121 1.00 70.33 N ATOM 183 CA ASN A 591 -11.715 -1.337 9.788 1.00 40.21 C ATOM 184 C ASN A 591 -10.544 -1.948 9.060 1.00 74.34 C ATOM 185 O ASN A 591 -10.705 -2.503 7.983 1.00 13.23 O ATOM 186 CB ASN A 591 -11.737 -1.795 11.256 1.00 74.50 C ATOM 187 CG ASN A 591 -12.849 -1.143 12.058 1.00 42.40 C ATOM 188 OD1 ASN A 591 -12.669 -0.068 12.631 1.00 52.02 O ATOM 189 ND2 ASN A 591 -13.983 -1.786 12.124 1.00 40.40 N ATOM 0 H ASN A 591 -13.271 -2.638 9.312 1.00 70.33 H new ATOM 0 HA ASN A 591 -11.612 -0.252 9.777 1.00 40.21 H new ATOM 0 HB2 ASN A 591 -11.856 -2.878 11.292 1.00 74.50 H new ATOM 0 HB3 ASN A 591 -10.778 -1.564 11.719 1.00 74.50 H new ATOM 0 HD21 ASN A 591 -14.757 -1.400 12.664 1.00 40.40 H new ATOM 0 HD22 ASN A 591 -14.095 -2.674 11.636 1.00 40.40 H new ATOM 195 N CYS A 592 -9.364 -1.874 9.654 1.00 63.31 N ATOM 196 CA CYS A 592 -8.151 -2.378 9.068 1.00 14.10 C ATOM 197 C CYS A 592 -8.122 -3.946 9.096 1.00 55.20 C ATOM 198 O CYS A 592 -7.060 -4.560 8.961 1.00 4.04 O ATOM 199 CB CYS A 592 -6.986 -1.849 9.883 1.00 34.12 C ATOM 200 SG CYS A 592 -7.232 -0.171 10.616 1.00 60.34 S ATOM 0 H CYS A 592 -9.229 -1.453 10.573 1.00 63.31 H new ATOM 0 HA CYS A 592 -8.090 -2.054 8.029 1.00 14.10 H new ATOM 0 HB2 CYS A 592 -6.779 -2.553 10.689 1.00 34.12 H new ATOM 0 HB3 CYS A 592 -6.101 -1.823 9.247 1.00 34.12 H new ATOM 205 N THR A 593 -9.286 -4.565 9.239 1.00 63.12 N ATOM 206 CA THR A 593 -9.429 -5.998 9.254 1.00 32.42 C ATOM 207 C THR A 593 -10.529 -6.393 8.273 1.00 70.04 C ATOM 208 O THR A 593 -11.505 -5.652 8.106 1.00 50.43 O ATOM 209 CB THR A 593 -9.835 -6.468 10.668 1.00 2.23 C ATOM 210 OG1 THR A 593 -10.969 -5.708 11.115 1.00 34.52 O ATOM 211 CG2 THR A 593 -8.706 -6.296 11.655 1.00 22.14 C ATOM 0 H THR A 593 -10.169 -4.067 9.349 1.00 63.12 H new ATOM 0 HA THR A 593 -8.483 -6.460 8.973 1.00 32.42 H new ATOM 0 HB THR A 593 -10.083 -7.528 10.613 1.00 2.23 H new ATOM 0 HG1 THR A 593 -11.230 -6.006 12.012 1.00 34.52 H new ATOM 0 HG21 THR A 593 -9.028 -6.637 12.639 1.00 22.14 H new ATOM 0 HG22 THR A 593 -7.847 -6.883 11.331 1.00 22.14 H new ATOM 0 HG23 THR A 593 -8.427 -5.244 11.709 1.00 22.14 H new ATOM 217 N VAL A 594 -10.380 -7.523 7.628 1.00 73.52 N ATOM 218 CA VAL A 594 -11.378 -7.983 6.688 1.00 22.02 C ATOM 219 C VAL A 594 -11.770 -9.432 6.983 1.00 63.21 C ATOM 220 O VAL A 594 -10.923 -10.240 7.362 1.00 74.20 O ATOM 221 CB VAL A 594 -10.918 -7.817 5.198 1.00 74.51 C ATOM 222 CG1 VAL A 594 -9.726 -8.700 4.855 1.00 23.43 C ATOM 223 CG2 VAL A 594 -12.071 -8.042 4.226 1.00 14.52 C ATOM 0 H VAL A 594 -9.578 -8.143 7.735 1.00 73.52 H new ATOM 0 HA VAL A 594 -12.257 -7.351 6.818 1.00 22.02 H new ATOM 0 HB VAL A 594 -10.587 -6.784 5.090 1.00 74.51 H new ATOM 0 HG11 VAL A 594 -9.448 -8.547 3.812 1.00 23.43 H new ATOM 0 HG12 VAL A 594 -8.884 -8.440 5.497 1.00 23.43 H new ATOM 0 HG13 VAL A 594 -9.991 -9.746 5.010 1.00 23.43 H new ATOM 0 HG21 VAL A 594 -11.714 -7.919 3.203 1.00 14.52 H new ATOM 0 HG22 VAL A 594 -12.463 -9.051 4.354 1.00 14.52 H new ATOM 0 HG23 VAL A 594 -12.861 -7.318 4.425 1.00 14.52 H new ATOM 229 N PHE A 595 -13.028 -9.741 6.853 1.00 0.32 N ATOM 230 CA PHE A 595 -13.495 -11.092 7.014 1.00 72.41 C ATOM 231 C PHE A 595 -14.387 -11.483 5.854 1.00 1.03 C ATOM 232 O PHE A 595 -15.364 -10.784 5.536 1.00 34.42 O ATOM 233 CB PHE A 595 -14.206 -11.314 8.356 1.00 31.30 C ATOM 234 CG PHE A 595 -14.805 -12.685 8.456 1.00 33.13 C ATOM 235 CD1 PHE A 595 -14.015 -13.795 8.276 1.00 62.13 C ATOM 236 CD2 PHE A 595 -16.154 -12.861 8.674 1.00 21.24 C ATOM 237 CE1 PHE A 595 -14.535 -15.052 8.317 1.00 32.31 C ATOM 238 CE2 PHE A 595 -16.689 -14.126 8.718 1.00 21.01 C ATOM 239 CZ PHE A 595 -15.874 -15.223 8.538 1.00 24.43 C ATOM 0 H PHE A 595 -13.760 -9.066 6.633 1.00 0.32 H new ATOM 0 HA PHE A 595 -12.618 -11.739 7.018 1.00 72.41 H new ATOM 0 HB2 PHE A 595 -13.496 -11.169 9.170 1.00 31.30 H new ATOM 0 HB3 PHE A 595 -14.990 -10.566 8.479 1.00 31.30 H new ATOM 0 HD1 PHE A 595 -12.958 -13.667 8.098 1.00 62.13 H new ATOM 0 HD2 PHE A 595 -16.793 -12.001 8.811 1.00 21.24 H new ATOM 0 HE1 PHE A 595 -13.894 -15.910 8.176 1.00 32.31 H new ATOM 0 HE2 PHE A 595 -17.746 -14.260 8.893 1.00 21.01 H new ATOM 0 HZ PHE A 595 -16.293 -16.218 8.571 1.00 24.43 H new ATOM 249 N ASP A 596 -14.065 -12.589 5.229 1.00 62.14 N ATOM 250 CA ASP A 596 -14.799 -13.043 4.094 1.00 52.04 C ATOM 251 C ASP A 596 -15.620 -14.263 4.438 1.00 71.25 C ATOM 252 O ASP A 596 -15.166 -15.165 5.137 1.00 11.02 O ATOM 253 CB ASP A 596 -13.868 -13.325 2.940 1.00 74.13 C ATOM 254 CG ASP A 596 -13.159 -14.597 3.008 1.00 4.40 C ATOM 255 OD1 ASP A 596 -12.385 -14.840 3.943 1.00 43.20 O ATOM 256 OD2 ASP A 596 -13.375 -15.372 2.087 1.00 63.34 O ATOM 0 H ASP A 596 -13.288 -13.192 5.499 1.00 62.14 H new ATOM 0 HA ASP A 596 -15.486 -12.253 3.791 1.00 52.04 H new ATOM 0 HB2 ASP A 596 -14.444 -13.298 2.015 1.00 74.13 H new ATOM 0 HB3 ASP A 596 -13.134 -12.521 2.882 1.00 74.13 H new ATOM 261 N SER A 597 -16.842 -14.266 3.985 1.00 34.31 N ATOM 262 CA SER A 597 -17.752 -15.343 4.249 1.00 44.01 C ATOM 263 C SER A 597 -17.378 -16.629 3.504 1.00 62.24 C ATOM 264 O SER A 597 -17.653 -17.731 3.977 1.00 40.14 O ATOM 265 CB SER A 597 -19.169 -14.896 3.903 1.00 41.55 C ATOM 266 OG SER A 597 -19.231 -14.368 2.567 1.00 1.45 O ATOM 0 H SER A 597 -17.237 -13.515 3.418 1.00 34.31 H new ATOM 0 HA SER A 597 -17.692 -15.585 5.310 1.00 44.01 H new ATOM 0 HB2 SER A 597 -19.853 -15.739 3.997 1.00 41.55 H new ATOM 0 HB3 SER A 597 -19.499 -14.138 4.613 1.00 41.55 H new ATOM 0 HG SER A 597 -18.406 -14.592 2.088 1.00 1.45 H new ATOM 272 N GLN A 598 -16.742 -16.486 2.352 1.00 5.21 N ATOM 273 CA GLN A 598 -16.463 -17.618 1.524 1.00 14.14 C ATOM 274 C GLN A 598 -15.238 -18.442 1.926 1.00 41.04 C ATOM 275 O GLN A 598 -15.296 -19.670 1.915 1.00 70.33 O ATOM 276 CB GLN A 598 -16.544 -17.324 0.014 1.00 42.41 C ATOM 277 CG GLN A 598 -15.706 -16.173 -0.561 1.00 42.21 C ATOM 278 CD GLN A 598 -16.070 -14.795 -0.031 1.00 43.20 C ATOM 279 OE1 GLN A 598 -17.208 -14.535 0.352 1.00 64.14 O ATOM 280 NE2 GLN A 598 -15.131 -13.903 -0.051 1.00 21.33 N ATOM 0 H GLN A 598 -16.415 -15.594 1.981 1.00 5.21 H new ATOM 0 HA GLN A 598 -17.297 -18.288 1.733 1.00 14.14 H new ATOM 0 HB2 GLN A 598 -16.262 -18.234 -0.515 1.00 42.41 H new ATOM 0 HB3 GLN A 598 -17.588 -17.125 -0.228 1.00 42.41 H new ATOM 0 HG2 GLN A 598 -14.655 -16.364 -0.345 1.00 42.21 H new ATOM 0 HG3 GLN A 598 -15.813 -16.170 -1.646 1.00 42.21 H new ATOM 0 HE21 GLN A 598 -14.197 -14.153 -0.375 1.00 21.33 H new ATOM 0 HE22 GLN A 598 -15.326 -12.950 0.257 1.00 21.33 H new ATOM 288 N ALA A 599 -14.149 -17.802 2.286 1.00 22.33 N ATOM 289 CA ALA A 599 -12.993 -18.544 2.754 1.00 72.11 C ATOM 290 C ALA A 599 -13.147 -18.781 4.215 1.00 2.40 C ATOM 291 O ALA A 599 -12.573 -19.724 4.782 1.00 5.00 O ATOM 292 CB ALA A 599 -11.712 -17.746 2.543 1.00 41.32 C ATOM 0 H ALA A 599 -14.036 -16.788 2.266 1.00 22.33 H new ATOM 0 HA ALA A 599 -12.929 -19.479 2.198 1.00 72.11 H new ATOM 0 HB1 ALA A 599 -10.860 -18.324 2.902 1.00 41.32 H new ATOM 0 HB2 ALA A 599 -11.586 -17.535 1.481 1.00 41.32 H new ATOM 0 HB3 ALA A 599 -11.773 -16.808 3.095 1.00 41.32 H new ATOM 298 N GLY A 600 -13.962 -17.947 4.824 1.00 30.23 N ATOM 299 CA GLY A 600 -14.208 -18.052 6.214 1.00 1.11 C ATOM 300 C GLY A 600 -12.973 -17.734 7.003 1.00 43.24 C ATOM 301 O GLY A 600 -12.684 -18.397 8.007 1.00 30.31 O ATOM 0 H GLY A 600 -14.461 -17.189 4.359 1.00 30.23 H new ATOM 0 HA2 GLY A 600 -15.011 -17.371 6.498 1.00 1.11 H new ATOM 0 HA3 GLY A 600 -14.547 -19.060 6.452 1.00 1.11 H new ATOM 305 N PHE A 601 -12.215 -16.743 6.558 1.00 1.14 N ATOM 306 CA PHE A 601 -11.027 -16.364 7.290 1.00 11.22 C ATOM 307 C PHE A 601 -11.010 -14.899 7.555 1.00 23.30 C ATOM 308 O PHE A 601 -11.307 -14.086 6.680 1.00 51.32 O ATOM 309 CB PHE A 601 -9.722 -16.775 6.599 1.00 70.41 C ATOM 310 CG PHE A 601 -9.464 -18.248 6.487 1.00 31.31 C ATOM 311 CD1 PHE A 601 -9.213 -19.011 7.615 1.00 11.14 C ATOM 312 CD2 PHE A 601 -9.437 -18.862 5.252 1.00 23.44 C ATOM 313 CE1 PHE A 601 -8.946 -20.362 7.507 1.00 61.51 C ATOM 314 CE2 PHE A 601 -9.175 -20.208 5.134 1.00 43.04 C ATOM 315 CZ PHE A 601 -8.929 -20.960 6.262 1.00 64.23 C ATOM 0 H PHE A 601 -12.399 -16.201 5.714 1.00 1.14 H new ATOM 0 HA PHE A 601 -11.077 -16.912 8.231 1.00 11.22 H new ATOM 0 HB2 PHE A 601 -9.718 -16.350 5.595 1.00 70.41 H new ATOM 0 HB3 PHE A 601 -8.891 -16.322 7.140 1.00 70.41 H new ATOM 0 HD1 PHE A 601 -9.226 -18.545 8.589 1.00 11.14 H new ATOM 0 HD2 PHE A 601 -9.624 -18.277 4.364 1.00 23.44 H new ATOM 0 HE1 PHE A 601 -8.751 -20.949 8.393 1.00 61.51 H new ATOM 0 HE2 PHE A 601 -9.162 -20.674 4.160 1.00 43.04 H new ATOM 0 HZ PHE A 601 -8.723 -22.016 6.173 1.00 64.23 H new ATOM 325 N SER A 602 -10.702 -14.556 8.756 1.00 12.32 N ATOM 326 CA SER A 602 -10.579 -13.205 9.113 1.00 5.24 C ATOM 327 C SER A 602 -9.113 -12.814 8.985 1.00 64.41 C ATOM 328 O SER A 602 -8.220 -13.534 9.447 1.00 62.34 O ATOM 329 CB SER A 602 -11.147 -13.002 10.528 1.00 10.21 C ATOM 330 OG SER A 602 -10.505 -13.850 11.481 1.00 5.22 O ATOM 0 H SER A 602 -10.529 -15.215 9.515 1.00 12.32 H new ATOM 0 HA SER A 602 -11.153 -12.554 8.454 1.00 5.24 H new ATOM 0 HB2 SER A 602 -11.022 -11.961 10.825 1.00 10.21 H new ATOM 0 HB3 SER A 602 -12.218 -13.205 10.523 1.00 10.21 H new ATOM 0 HG SER A 602 -10.889 -13.694 12.369 1.00 5.22 H new ATOM 336 N PHE A 603 -8.861 -11.724 8.335 1.00 64.11 N ATOM 337 CA PHE A 603 -7.517 -11.284 8.089 1.00 64.25 C ATOM 338 C PHE A 603 -7.253 -9.924 8.714 1.00 41.04 C ATOM 339 O PHE A 603 -8.020 -8.966 8.509 1.00 12.24 O ATOM 340 CB PHE A 603 -7.211 -11.277 6.580 1.00 0.43 C ATOM 341 CG PHE A 603 -7.148 -12.659 5.929 1.00 4.23 C ATOM 342 CD1 PHE A 603 -5.949 -13.342 5.879 1.00 2.21 C ATOM 343 CD2 PHE A 603 -8.270 -13.263 5.356 1.00 43.54 C ATOM 344 CE1 PHE A 603 -5.853 -14.580 5.289 1.00 2.24 C ATOM 345 CE2 PHE A 603 -8.166 -14.504 4.763 1.00 55.13 C ATOM 346 CZ PHE A 603 -6.959 -15.160 4.732 1.00 22.15 C ATOM 0 H PHE A 603 -9.581 -11.108 7.957 1.00 64.11 H new ATOM 0 HA PHE A 603 -6.841 -11.994 8.565 1.00 64.25 H new ATOM 0 HB2 PHE A 603 -7.974 -10.687 6.072 1.00 0.43 H new ATOM 0 HB3 PHE A 603 -6.258 -10.772 6.420 1.00 0.43 H new ATOM 0 HD1 PHE A 603 -5.067 -12.894 6.313 1.00 2.21 H new ATOM 0 HD2 PHE A 603 -9.223 -12.756 5.377 1.00 43.54 H new ATOM 0 HE1 PHE A 603 -4.904 -15.095 5.265 1.00 2.24 H new ATOM 0 HE2 PHE A 603 -9.038 -14.963 4.321 1.00 55.13 H new ATOM 0 HZ PHE A 603 -6.884 -16.132 4.268 1.00 22.15 H new ATOM 356 N ASP A 604 -6.177 -9.839 9.474 1.00 30.21 N ATOM 357 CA ASP A 604 -5.810 -8.615 10.153 1.00 43.11 C ATOM 358 C ASP A 604 -4.745 -7.919 9.369 1.00 72.00 C ATOM 359 O ASP A 604 -3.631 -8.421 9.234 1.00 14.25 O ATOM 360 CB ASP A 604 -5.242 -8.907 11.559 1.00 40.10 C ATOM 361 CG ASP A 604 -6.174 -9.683 12.454 1.00 10.23 C ATOM 362 OD1 ASP A 604 -7.165 -9.105 12.953 1.00 22.30 O ATOM 363 OD2 ASP A 604 -5.927 -10.894 12.675 1.00 3.04 O ATOM 0 H ASP A 604 -5.536 -10.615 9.636 1.00 30.21 H new ATOM 0 HA ASP A 604 -6.705 -7.999 10.243 1.00 43.11 H new ATOM 0 HB2 ASP A 604 -4.311 -9.463 11.454 1.00 40.10 H new ATOM 0 HB3 ASP A 604 -4.996 -7.962 12.042 1.00 40.10 H new ATOM 368 N LEU A 605 -5.069 -6.769 8.858 1.00 73.12 N ATOM 369 CA LEU A 605 -4.106 -5.960 8.172 1.00 1.42 C ATOM 370 C LEU A 605 -3.718 -4.803 9.071 1.00 34.54 C ATOM 371 O LEU A 605 -3.056 -3.862 8.672 1.00 52.11 O ATOM 372 CB LEU A 605 -4.623 -5.481 6.801 1.00 31.31 C ATOM 373 CG LEU A 605 -4.763 -6.544 5.679 1.00 52.32 C ATOM 374 CD1 LEU A 605 -3.425 -7.210 5.379 1.00 14.21 C ATOM 375 CD2 LEU A 605 -5.821 -7.591 5.990 1.00 23.13 C ATOM 0 H LEU A 605 -6.005 -6.366 8.904 1.00 73.12 H new ATOM 0 HA LEU A 605 -3.221 -6.560 7.957 1.00 1.42 H new ATOM 0 HB2 LEU A 605 -5.599 -5.020 6.952 1.00 31.31 H new ATOM 0 HB3 LEU A 605 -3.953 -4.699 6.443 1.00 31.31 H new ATOM 0 HG LEU A 605 -5.094 -6.008 4.790 1.00 52.32 H new ATOM 0 HD11 LEU A 605 -3.556 -7.950 4.589 1.00 14.21 H new ATOM 0 HD12 LEU A 605 -2.708 -6.456 5.055 1.00 14.21 H new ATOM 0 HD13 LEU A 605 -3.053 -7.701 6.278 1.00 14.21 H new ATOM 0 HD21 LEU A 605 -5.875 -8.308 5.171 1.00 23.13 H new ATOM 0 HD22 LEU A 605 -5.558 -8.111 6.911 1.00 23.13 H new ATOM 0 HD23 LEU A 605 -6.789 -7.105 6.111 1.00 23.13 H new ATOM 383 N THR A 606 -4.131 -4.935 10.303 1.00 32.25 N ATOM 384 CA THR A 606 -3.905 -4.006 11.357 1.00 73.24 C ATOM 385 C THR A 606 -2.372 -3.799 11.627 1.00 54.22 C ATOM 386 O THR A 606 -1.906 -2.665 11.667 1.00 62.53 O ATOM 387 CB THR A 606 -4.589 -4.559 12.604 1.00 0.30 C ATOM 388 OG1 THR A 606 -5.810 -5.188 12.193 1.00 5.23 O ATOM 389 CG2 THR A 606 -4.948 -3.448 13.526 1.00 0.23 C ATOM 0 H THR A 606 -4.667 -5.748 10.607 1.00 32.25 H new ATOM 0 HA THR A 606 -4.312 -3.033 11.083 1.00 73.24 H new ATOM 0 HB THR A 606 -3.919 -5.256 13.107 1.00 0.30 H new ATOM 0 HG1 THR A 606 -6.269 -5.554 12.977 1.00 5.23 H new ATOM 0 HG21 THR A 606 -5.435 -3.854 14.412 1.00 0.23 H new ATOM 0 HG22 THR A 606 -4.045 -2.914 13.821 1.00 0.23 H new ATOM 0 HG23 THR A 606 -5.627 -2.761 13.021 1.00 0.23 H new ATOM 395 N PRO A 607 -1.555 -4.906 11.806 1.00 45.54 N ATOM 396 CA PRO A 607 -0.092 -4.799 12.024 1.00 64.05 C ATOM 397 C PRO A 607 0.627 -4.121 10.854 1.00 11.25 C ATOM 398 O PRO A 607 1.751 -3.656 10.984 1.00 44.43 O ATOM 399 CB PRO A 607 0.371 -6.256 12.157 1.00 42.41 C ATOM 400 CG PRO A 607 -0.724 -7.065 11.566 1.00 10.13 C ATOM 401 CD PRO A 607 -1.981 -6.322 11.852 1.00 62.23 C ATOM 0 HA PRO A 607 0.136 -4.186 12.896 1.00 64.05 H new ATOM 0 HB2 PRO A 607 1.311 -6.421 11.630 1.00 42.41 H new ATOM 0 HB3 PRO A 607 0.539 -6.523 13.200 1.00 42.41 H new ATOM 0 HG2 PRO A 607 -0.581 -7.191 10.493 1.00 10.13 H new ATOM 0 HG3 PRO A 607 -0.752 -8.063 12.004 1.00 10.13 H new ATOM 0 HD2 PRO A 607 -2.752 -6.535 11.111 1.00 62.23 H new ATOM 0 HD3 PRO A 607 -2.393 -6.587 12.826 1.00 62.23 H new ATOM 409 N LEU A 608 -0.035 -4.095 9.719 1.00 73.13 N ATOM 410 CA LEU A 608 0.492 -3.516 8.493 1.00 64.12 C ATOM 411 C LEU A 608 0.473 -1.996 8.542 1.00 41.31 C ATOM 412 O LEU A 608 1.081 -1.341 7.711 1.00 70.11 O ATOM 413 CB LEU A 608 -0.304 -4.009 7.261 1.00 54.15 C ATOM 414 CG LEU A 608 -0.131 -5.479 6.809 1.00 11.15 C ATOM 415 CD1 LEU A 608 1.273 -5.722 6.360 1.00 24.35 C ATOM 416 CD2 LEU A 608 -0.487 -6.453 7.905 1.00 52.02 C ATOM 0 H LEU A 608 -0.973 -4.482 9.615 1.00 73.13 H new ATOM 0 HA LEU A 608 1.527 -3.845 8.401 1.00 64.12 H new ATOM 0 HB2 LEU A 608 -1.363 -3.847 7.464 1.00 54.15 H new ATOM 0 HB3 LEU A 608 -0.040 -3.370 6.418 1.00 54.15 H new ATOM 0 HG LEU A 608 -0.817 -5.643 5.978 1.00 11.15 H new ATOM 0 HD11 LEU A 608 1.380 -6.760 6.045 1.00 24.35 H new ATOM 0 HD12 LEU A 608 1.507 -5.063 5.524 1.00 24.35 H new ATOM 0 HD13 LEU A 608 1.958 -5.520 7.183 1.00 24.35 H new ATOM 0 HD21 LEU A 608 -0.351 -7.472 7.544 1.00 52.02 H new ATOM 0 HD22 LEU A 608 0.159 -6.284 8.766 1.00 52.02 H new ATOM 0 HD23 LEU A 608 -1.527 -6.307 8.198 1.00 52.02 H new ATOM 424 N THR A 609 -0.236 -1.449 9.496 1.00 11.32 N ATOM 425 CA THR A 609 -0.326 -0.017 9.658 1.00 11.24 C ATOM 426 C THR A 609 0.955 0.538 10.295 1.00 23.31 C ATOM 427 O THR A 609 1.455 0.005 11.301 1.00 55.25 O ATOM 428 CB THR A 609 -1.546 0.341 10.539 1.00 22.14 C ATOM 429 OG1 THR A 609 -2.722 -0.311 10.024 1.00 41.11 O ATOM 430 CG2 THR A 609 -1.793 1.836 10.536 1.00 63.54 C ATOM 0 H THR A 609 -0.768 -1.982 10.184 1.00 11.32 H new ATOM 0 HA THR A 609 -0.448 0.433 8.673 1.00 11.24 H new ATOM 0 HB THR A 609 -1.337 0.010 11.556 1.00 22.14 H new ATOM 0 HG1 THR A 609 -3.163 0.275 9.374 1.00 41.11 H new ATOM 0 HG21 THR A 609 -2.656 2.064 11.162 1.00 63.54 H new ATOM 0 HG22 THR A 609 -0.915 2.351 10.927 1.00 63.54 H new ATOM 0 HG23 THR A 609 -1.986 2.171 9.517 1.00 63.54 H new ATOM 436 N LYS A 610 1.491 1.581 9.703 1.00 74.25 N ATOM 437 CA LYS A 610 2.642 2.262 10.235 1.00 40.21 C ATOM 438 C LYS A 610 2.393 3.746 10.212 1.00 53.30 C ATOM 439 O LYS A 610 1.809 4.254 9.267 1.00 41.53 O ATOM 440 CB LYS A 610 3.896 1.960 9.411 1.00 72.54 C ATOM 441 CG LYS A 610 4.366 0.523 9.444 1.00 20.00 C ATOM 442 CD LYS A 610 5.697 0.350 8.723 1.00 44.13 C ATOM 443 CE LYS A 610 6.204 -1.090 8.816 1.00 4.43 C ATOM 444 NZ LYS A 610 6.405 -1.528 10.218 1.00 41.24 N ATOM 0 H LYS A 610 1.136 1.980 8.834 1.00 74.25 H new ATOM 0 HA LYS A 610 2.803 1.913 11.255 1.00 40.21 H new ATOM 0 HB2 LYS A 610 3.704 2.238 8.375 1.00 72.54 H new ATOM 0 HB3 LYS A 610 4.706 2.597 9.767 1.00 72.54 H new ATOM 0 HG2 LYS A 610 4.467 0.197 10.479 1.00 20.00 H new ATOM 0 HG3 LYS A 610 3.615 -0.117 8.980 1.00 20.00 H new ATOM 0 HD2 LYS A 610 5.583 0.629 7.676 1.00 44.13 H new ATOM 0 HD3 LYS A 610 6.436 1.025 9.155 1.00 44.13 H new ATOM 0 HE2 LYS A 610 5.491 -1.756 8.329 1.00 4.43 H new ATOM 0 HE3 LYS A 610 7.145 -1.177 8.272 1.00 4.43 H new ATOM 0 HZ1 LYS A 610 6.964 -2.405 10.231 1.00 41.24 H new ATOM 0 HZ2 LYS A 610 6.911 -0.787 10.744 1.00 41.24 H new ATOM 0 HZ3 LYS A 610 5.481 -1.699 10.664 1.00 41.24 H new ATOM 458 N LYS A 611 2.842 4.442 11.235 1.00 42.23 N ATOM 459 CA LYS A 611 2.694 5.884 11.282 1.00 53.23 C ATOM 460 C LYS A 611 3.644 6.492 10.289 1.00 34.15 C ATOM 461 O LYS A 611 3.304 7.400 9.542 1.00 22.34 O ATOM 462 CB LYS A 611 2.984 6.400 12.673 1.00 23.05 C ATOM 463 CG LYS A 611 2.505 7.832 12.897 1.00 53.03 C ATOM 464 CD LYS A 611 2.657 8.275 14.342 1.00 52.52 C ATOM 465 CE LYS A 611 4.103 8.280 14.791 1.00 44.23 C ATOM 466 NZ LYS A 611 4.242 8.736 16.186 1.00 5.01 N ATOM 0 H LYS A 611 3.312 4.035 12.044 1.00 42.23 H new ATOM 0 HA LYS A 611 1.670 6.159 11.031 1.00 53.23 H new ATOM 0 HB2 LYS A 611 2.506 5.746 13.403 1.00 23.05 H new ATOM 0 HB3 LYS A 611 4.058 6.351 12.855 1.00 23.05 H new ATOM 0 HG2 LYS A 611 3.069 8.506 12.252 1.00 53.03 H new ATOM 0 HG3 LYS A 611 1.458 7.912 12.604 1.00 53.03 H new ATOM 0 HD2 LYS A 611 2.239 9.275 14.459 1.00 52.52 H new ATOM 0 HD3 LYS A 611 2.081 7.611 14.986 1.00 52.52 H new ATOM 0 HE2 LYS A 611 4.517 7.276 14.694 1.00 44.23 H new ATOM 0 HE3 LYS A 611 4.684 8.930 14.137 1.00 44.23 H new ATOM 0 HZ1 LYS A 611 5.246 8.725 16.456 1.00 5.01 H new ATOM 0 HZ2 LYS A 611 3.870 9.703 16.274 1.00 5.01 H new ATOM 0 HZ3 LYS A 611 3.708 8.101 16.814 1.00 5.01 H new ATOM 480 N ASP A 612 4.846 5.931 10.281 1.00 62.15 N ATOM 481 CA ASP A 612 5.918 6.308 9.346 1.00 54.11 C ATOM 482 C ASP A 612 5.486 6.027 7.929 1.00 50.34 C ATOM 483 O ASP A 612 5.987 6.641 6.971 1.00 13.11 O ATOM 484 CB ASP A 612 7.192 5.508 9.632 1.00 64.41 C ATOM 485 CG ASP A 612 7.902 5.888 10.901 1.00 33.44 C ATOM 486 OD1 ASP A 612 8.758 6.797 10.869 1.00 45.42 O ATOM 487 OD2 ASP A 612 7.626 5.273 11.951 1.00 71.22 O ATOM 0 H ASP A 612 5.115 5.191 10.929 1.00 62.15 H new ATOM 0 HA ASP A 612 6.120 7.371 9.476 1.00 54.11 H new ATOM 0 HB2 ASP A 612 6.937 4.449 9.678 1.00 64.41 H new ATOM 0 HB3 ASP A 612 7.879 5.634 8.796 1.00 64.41 H new ATOM 492 N ALA A 613 4.569 5.070 7.811 1.00 53.10 N ATOM 493 CA ALA A 613 3.975 4.649 6.563 1.00 11.12 C ATOM 494 C ALA A 613 4.988 4.029 5.614 1.00 10.12 C ATOM 495 O ALA A 613 6.185 3.958 5.911 1.00 40.33 O ATOM 496 CB ALA A 613 3.249 5.795 5.917 1.00 32.34 C ATOM 0 H ALA A 613 4.212 4.554 8.615 1.00 53.10 H new ATOM 0 HA ALA A 613 3.254 3.865 6.794 1.00 11.12 H new ATOM 0 HB1 ALA A 613 2.807 5.463 4.978 1.00 32.34 H new ATOM 0 HB2 ALA A 613 2.462 6.149 6.583 1.00 32.34 H new ATOM 0 HB3 ALA A 613 3.951 6.606 5.721 1.00 32.34 H new ATOM 502 N TYR A 614 4.508 3.584 4.495 1.00 55.44 N ATOM 503 CA TYR A 614 5.326 2.932 3.512 1.00 11.50 C ATOM 504 C TYR A 614 5.524 3.859 2.338 1.00 73.34 C ATOM 505 O TYR A 614 4.573 4.521 1.895 1.00 33.41 O ATOM 506 CB TYR A 614 4.640 1.641 3.036 1.00 32.20 C ATOM 507 CG TYR A 614 4.432 0.587 4.117 1.00 71.52 C ATOM 508 CD1 TYR A 614 3.491 0.768 5.126 1.00 23.50 C ATOM 509 CD2 TYR A 614 5.163 -0.603 4.114 1.00 44.14 C ATOM 510 CE1 TYR A 614 3.290 -0.179 6.076 1.00 2.02 C ATOM 511 CE2 TYR A 614 4.961 -1.562 5.076 1.00 21.12 C ATOM 512 CZ TYR A 614 4.016 -1.337 6.059 1.00 52.10 C ATOM 513 OH TYR A 614 3.788 -2.270 7.023 1.00 34.45 O ATOM 0 H TYR A 614 3.526 3.663 4.232 1.00 55.44 H new ATOM 0 HA TYR A 614 6.292 2.682 3.952 1.00 11.50 H new ATOM 0 HB2 TYR A 614 3.671 1.898 2.609 1.00 32.20 H new ATOM 0 HB3 TYR A 614 5.236 1.205 2.234 1.00 32.20 H new ATOM 0 HD1 TYR A 614 2.911 1.678 5.153 1.00 23.50 H new ATOM 0 HD2 TYR A 614 5.899 -0.772 3.342 1.00 44.14 H new ATOM 0 HE1 TYR A 614 2.553 -0.017 6.849 1.00 2.02 H new ATOM 0 HE2 TYR A 614 5.532 -2.479 5.065 1.00 21.12 H new ATOM 0 HH TYR A 614 2.889 -2.145 7.393 1.00 34.45 H new ATOM 523 N LYS A 615 6.729 3.953 1.862 1.00 64.11 N ATOM 524 CA LYS A 615 7.003 4.749 0.701 1.00 41.23 C ATOM 525 C LYS A 615 7.496 3.874 -0.425 1.00 22.22 C ATOM 526 O LYS A 615 8.447 3.103 -0.259 1.00 15.42 O ATOM 527 CB LYS A 615 8.061 5.823 0.964 1.00 14.13 C ATOM 528 CG LYS A 615 8.339 6.681 -0.261 1.00 24.31 C ATOM 529 CD LYS A 615 9.642 7.474 -0.137 1.00 63.14 C ATOM 530 CE LYS A 615 9.695 8.376 1.077 1.00 40.10 C ATOM 531 NZ LYS A 615 10.936 9.185 1.121 1.00 53.01 N ATOM 0 H LYS A 615 7.543 3.486 2.261 1.00 64.11 H new ATOM 0 HA LYS A 615 6.067 5.239 0.435 1.00 41.23 H new ATOM 0 HB2 LYS A 615 7.730 6.462 1.783 1.00 14.13 H new ATOM 0 HB3 LYS A 615 8.986 5.345 1.286 1.00 14.13 H new ATOM 0 HG2 LYS A 615 8.388 6.043 -1.144 1.00 24.31 H new ATOM 0 HG3 LYS A 615 7.510 7.372 -0.413 1.00 24.31 H new ATOM 0 HD2 LYS A 615 10.479 6.776 -0.096 1.00 63.14 H new ATOM 0 HD3 LYS A 615 9.775 8.079 -1.034 1.00 63.14 H new ATOM 0 HE2 LYS A 615 8.831 9.040 1.072 1.00 40.10 H new ATOM 0 HE3 LYS A 615 9.626 7.770 1.981 1.00 40.10 H new ATOM 0 HZ1 LYS A 615 10.928 9.787 1.969 1.00 53.01 H new ATOM 0 HZ2 LYS A 615 11.761 8.553 1.153 1.00 53.01 H new ATOM 0 HZ3 LYS A 615 10.991 9.783 0.272 1.00 53.01 H new ATOM 545 N VAL A 616 6.859 3.986 -1.537 1.00 64.54 N ATOM 546 CA VAL A 616 7.278 3.322 -2.738 1.00 71.43 C ATOM 547 C VAL A 616 7.902 4.389 -3.611 1.00 64.34 C ATOM 548 O VAL A 616 7.375 5.487 -3.692 1.00 21.25 O ATOM 549 CB VAL A 616 6.078 2.706 -3.483 1.00 0.22 C ATOM 550 CG1 VAL A 616 6.530 1.924 -4.712 1.00 54.00 C ATOM 551 CG2 VAL A 616 5.245 1.834 -2.559 1.00 3.50 C ATOM 0 H VAL A 616 6.016 4.550 -1.648 1.00 64.54 H new ATOM 0 HA VAL A 616 7.971 2.514 -2.503 1.00 71.43 H new ATOM 0 HB VAL A 616 5.448 3.527 -3.825 1.00 0.22 H new ATOM 0 HG11 VAL A 616 5.660 1.502 -5.215 1.00 54.00 H new ATOM 0 HG12 VAL A 616 7.056 2.591 -5.395 1.00 54.00 H new ATOM 0 HG13 VAL A 616 7.198 1.119 -4.406 1.00 54.00 H new ATOM 0 HG21 VAL A 616 4.406 1.414 -3.114 1.00 3.50 H new ATOM 0 HG22 VAL A 616 5.862 1.026 -2.167 1.00 3.50 H new ATOM 0 HG23 VAL A 616 4.868 2.436 -1.732 1.00 3.50 H new ATOM 557 N GLU A 617 8.991 4.094 -4.233 1.00 72.14 N ATOM 558 CA GLU A 617 9.692 5.090 -5.020 1.00 11.41 C ATOM 559 C GLU A 617 9.779 4.688 -6.474 1.00 73.23 C ATOM 560 O GLU A 617 9.982 3.516 -6.784 1.00 54.40 O ATOM 561 CB GLU A 617 11.089 5.325 -4.453 1.00 61.43 C ATOM 562 CG GLU A 617 11.092 5.902 -3.050 1.00 32.44 C ATOM 563 CD GLU A 617 12.478 6.078 -2.500 1.00 74.30 C ATOM 564 OE1 GLU A 617 13.249 6.861 -3.066 1.00 14.13 O ATOM 565 OE2 GLU A 617 12.810 5.458 -1.478 1.00 3.41 O ATOM 0 H GLU A 617 9.429 3.173 -4.221 1.00 72.14 H new ATOM 0 HA GLU A 617 9.123 6.018 -4.964 1.00 11.41 H new ATOM 0 HB2 GLU A 617 11.633 4.380 -4.448 1.00 61.43 H new ATOM 0 HB3 GLU A 617 11.630 6.001 -5.115 1.00 61.43 H new ATOM 0 HG2 GLU A 617 10.583 6.866 -3.057 1.00 32.44 H new ATOM 0 HG3 GLU A 617 10.524 5.246 -2.390 1.00 32.44 H new ATOM 572 N THR A 618 9.606 5.649 -7.359 1.00 75.02 N ATOM 573 CA THR A 618 9.737 5.413 -8.758 1.00 25.20 C ATOM 574 C THR A 618 10.831 6.330 -9.271 1.00 30.33 C ATOM 575 O THR A 618 11.610 6.880 -8.463 1.00 43.30 O ATOM 576 CB THR A 618 8.399 5.690 -9.510 1.00 13.22 C ATOM 577 OG1 THR A 618 7.991 7.051 -9.341 1.00 70.21 O ATOM 578 CG2 THR A 618 7.298 4.784 -9.000 1.00 14.53 C ATOM 0 H THR A 618 9.371 6.611 -7.115 1.00 75.02 H new ATOM 0 HA THR A 618 9.989 4.368 -8.936 1.00 25.20 H new ATOM 0 HB THR A 618 8.573 5.492 -10.568 1.00 13.22 H new ATOM 0 HG1 THR A 618 8.087 7.307 -8.400 1.00 70.21 H new ATOM 0 HG21 THR A 618 6.374 4.995 -9.539 1.00 14.53 H new ATOM 0 HG22 THR A 618 7.581 3.743 -9.158 1.00 14.53 H new ATOM 0 HG23 THR A 618 7.145 4.961 -7.935 1.00 14.53 H new ATOM 584 N ASP A 619 10.909 6.511 -10.567 1.00 64.23 N ATOM 585 CA ASP A 619 11.936 7.368 -11.151 1.00 34.24 C ATOM 586 C ASP A 619 11.744 8.823 -10.771 1.00 1.23 C ATOM 587 O ASP A 619 12.718 9.567 -10.629 1.00 44.22 O ATOM 588 CB ASP A 619 11.993 7.252 -12.683 1.00 14.31 C ATOM 589 CG ASP A 619 12.386 5.885 -13.169 1.00 75.14 C ATOM 590 OD1 ASP A 619 13.577 5.532 -13.074 1.00 12.44 O ATOM 591 OD2 ASP A 619 11.506 5.140 -13.642 1.00 73.33 O ATOM 0 H ASP A 619 10.279 6.081 -11.244 1.00 64.23 H new ATOM 0 HA ASP A 619 12.881 7.014 -10.739 1.00 34.24 H new ATOM 0 HB2 ASP A 619 11.017 7.508 -13.095 1.00 14.31 H new ATOM 0 HB3 ASP A 619 12.703 7.983 -13.068 1.00 14.31 H new ATOM 596 N LYS A 620 10.503 9.239 -10.609 1.00 61.13 N ATOM 597 CA LYS A 620 10.226 10.652 -10.339 1.00 3.21 C ATOM 598 C LYS A 620 9.199 10.865 -9.256 1.00 1.04 C ATOM 599 O LYS A 620 8.956 12.004 -8.847 1.00 22.50 O ATOM 600 CB LYS A 620 9.749 11.352 -11.608 1.00 33.44 C ATOM 601 CG LYS A 620 10.748 11.449 -12.749 1.00 3.11 C ATOM 602 CD LYS A 620 10.056 11.907 -14.032 1.00 74.15 C ATOM 603 CE LYS A 620 9.301 13.220 -13.845 1.00 21.11 C ATOM 604 NZ LYS A 620 8.562 13.632 -15.065 1.00 72.13 N ATOM 0 H LYS A 620 9.680 8.639 -10.657 1.00 61.13 H new ATOM 0 HA LYS A 620 11.167 11.078 -9.991 1.00 3.21 H new ATOM 0 HB2 LYS A 620 8.865 10.830 -11.973 1.00 33.44 H new ATOM 0 HB3 LYS A 620 9.436 12.362 -11.343 1.00 33.44 H new ATOM 0 HG2 LYS A 620 11.541 12.150 -12.487 1.00 3.11 H new ATOM 0 HG3 LYS A 620 11.220 10.480 -12.910 1.00 3.11 H new ATOM 0 HD2 LYS A 620 10.799 12.027 -14.820 1.00 74.15 H new ATOM 0 HD3 LYS A 620 9.362 11.135 -14.363 1.00 74.15 H new ATOM 0 HE2 LYS A 620 8.599 13.117 -13.017 1.00 21.11 H new ATOM 0 HE3 LYS A 620 10.006 14.004 -13.569 1.00 21.11 H new ATOM 0 HZ1 LYS A 620 8.067 14.529 -14.885 1.00 72.13 H new ATOM 0 HZ2 LYS A 620 9.232 13.758 -15.851 1.00 72.13 H new ATOM 0 HZ3 LYS A 620 7.869 12.898 -15.315 1.00 72.13 H new ATOM 618 N TYR A 621 8.601 9.834 -8.797 1.00 24.25 N ATOM 619 CA TYR A 621 7.558 9.985 -7.827 1.00 60.24 C ATOM 620 C TYR A 621 7.764 9.035 -6.693 1.00 54.52 C ATOM 621 O TYR A 621 8.571 8.109 -6.782 1.00 34.01 O ATOM 622 CB TYR A 621 6.174 9.753 -8.494 1.00 3.15 C ATOM 623 CG TYR A 621 5.896 10.715 -9.637 1.00 52.43 C ATOM 624 CD1 TYR A 621 6.298 10.420 -10.934 1.00 50.45 C ATOM 625 CD2 TYR A 621 5.273 11.926 -9.413 1.00 4.01 C ATOM 626 CE1 TYR A 621 6.092 11.308 -11.966 1.00 72.55 C ATOM 627 CE2 TYR A 621 5.054 12.817 -10.447 1.00 35.50 C ATOM 628 CZ TYR A 621 5.469 12.504 -11.715 1.00 51.52 C ATOM 629 OH TYR A 621 5.272 13.402 -12.738 1.00 62.24 O ATOM 0 H TYR A 621 8.806 8.872 -9.069 1.00 24.25 H new ATOM 0 HA TYR A 621 7.586 11.000 -7.431 1.00 60.24 H new ATOM 0 HB2 TYR A 621 6.124 8.730 -8.867 1.00 3.15 H new ATOM 0 HB3 TYR A 621 5.392 9.856 -7.741 1.00 3.15 H new ATOM 0 HD1 TYR A 621 6.781 9.476 -11.137 1.00 50.45 H new ATOM 0 HD2 TYR A 621 4.952 12.182 -8.414 1.00 4.01 H new ATOM 0 HE1 TYR A 621 6.419 11.064 -12.966 1.00 72.55 H new ATOM 0 HE2 TYR A 621 4.557 13.757 -10.256 1.00 35.50 H new ATOM 0 HH TYR A 621 4.816 14.198 -12.392 1.00 62.24 H new ATOM 639 N GLU A 622 7.113 9.299 -5.624 1.00 61.31 N ATOM 640 CA GLU A 622 7.062 8.391 -4.546 1.00 35.13 C ATOM 641 C GLU A 622 5.633 8.292 -4.166 1.00 71.31 C ATOM 642 O GLU A 622 4.860 9.257 -4.351 1.00 31.25 O ATOM 643 CB GLU A 622 7.872 8.830 -3.308 1.00 63.15 C ATOM 644 CG GLU A 622 7.308 10.041 -2.583 1.00 11.24 C ATOM 645 CD GLU A 622 7.956 10.282 -1.239 1.00 53.31 C ATOM 646 OE1 GLU A 622 9.107 10.763 -1.198 1.00 32.21 O ATOM 647 OE2 GLU A 622 7.321 9.955 -0.178 1.00 61.12 O ATOM 0 H GLU A 622 6.594 10.164 -5.472 1.00 61.31 H new ATOM 0 HA GLU A 622 7.503 7.448 -4.868 1.00 35.13 H new ATOM 0 HB2 GLU A 622 7.924 7.995 -2.609 1.00 63.15 H new ATOM 0 HB3 GLU A 622 8.894 9.051 -3.617 1.00 63.15 H new ATOM 0 HG2 GLU A 622 7.440 10.925 -3.207 1.00 11.24 H new ATOM 0 HG3 GLU A 622 6.235 9.907 -2.444 1.00 11.24 H new ATOM 654 N PHE A 623 5.255 7.185 -3.696 1.00 21.34 N ATOM 655 CA PHE A 623 3.945 7.043 -3.215 1.00 60.43 C ATOM 656 C PHE A 623 4.064 6.709 -1.768 1.00 23.13 C ATOM 657 O PHE A 623 4.722 5.730 -1.408 1.00 72.43 O ATOM 658 CB PHE A 623 3.215 5.910 -3.947 1.00 42.41 C ATOM 659 CG PHE A 623 3.229 6.026 -5.453 1.00 73.11 C ATOM 660 CD1 PHE A 623 2.307 6.812 -6.116 1.00 60.03 C ATOM 661 CD2 PHE A 623 4.175 5.345 -6.202 1.00 40.13 C ATOM 662 CE1 PHE A 623 2.333 6.915 -7.490 1.00 60.35 C ATOM 663 CE2 PHE A 623 4.203 5.446 -7.566 1.00 15.01 C ATOM 664 CZ PHE A 623 3.286 6.230 -8.214 1.00 52.05 C ATOM 0 H PHE A 623 5.836 6.350 -3.630 1.00 21.34 H new ATOM 0 HA PHE A 623 3.374 7.958 -3.375 1.00 60.43 H new ATOM 0 HB2 PHE A 623 3.669 4.960 -3.664 1.00 42.41 H new ATOM 0 HB3 PHE A 623 2.180 5.883 -3.607 1.00 42.41 H new ATOM 0 HD1 PHE A 623 1.559 7.351 -5.553 1.00 60.03 H new ATOM 0 HD2 PHE A 623 4.903 4.724 -5.701 1.00 40.13 H new ATOM 0 HE1 PHE A 623 1.607 7.532 -7.999 1.00 60.35 H new ATOM 0 HE2 PHE A 623 4.949 4.907 -8.132 1.00 15.01 H new ATOM 0 HZ PHE A 623 3.309 6.312 -9.291 1.00 52.05 H new ATOM 674 N HIS A 624 3.477 7.491 -0.937 1.00 3.01 N ATOM 675 CA HIS A 624 3.509 7.198 0.440 1.00 64.44 C ATOM 676 C HIS A 624 2.124 6.759 0.820 1.00 45.21 C ATOM 677 O HIS A 624 1.159 7.508 0.649 1.00 14.22 O ATOM 678 CB HIS A 624 3.903 8.448 1.217 1.00 71.12 C ATOM 679 CG HIS A 624 4.968 8.201 2.221 1.00 23.53 C ATOM 680 ND1 HIS A 624 6.266 8.606 2.047 1.00 33.10 N ATOM 681 CD2 HIS A 624 4.922 7.594 3.418 1.00 14.43 C ATOM 682 CE1 HIS A 624 6.970 8.246 3.101 1.00 34.14 C ATOM 683 NE2 HIS A 624 6.175 7.635 3.948 1.00 61.25 N ATOM 0 H HIS A 624 2.969 8.338 -1.191 1.00 3.01 H new ATOM 0 HA HIS A 624 4.236 6.418 0.668 1.00 64.44 H new ATOM 0 HB2 HIS A 624 4.243 9.211 0.517 1.00 71.12 H new ATOM 0 HB3 HIS A 624 3.023 8.847 1.721 1.00 71.12 H new ATOM 0 HD1 HIS A 624 6.628 9.105 1.234 1.00 33.10 H new ATOM 0 HD2 HIS A 624 4.049 7.153 3.877 1.00 14.43 H new ATOM 0 HE1 HIS A 624 8.026 8.424 3.244 1.00 34.14 H new ATOM 692 N ILE A 625 2.020 5.581 1.353 1.00 42.42 N ATOM 693 CA ILE A 625 0.737 4.998 1.653 1.00 4.14 C ATOM 694 C ILE A 625 0.808 4.288 2.976 1.00 24.42 C ATOM 695 O ILE A 625 1.897 3.917 3.443 1.00 51.30 O ATOM 696 CB ILE A 625 0.287 3.959 0.558 1.00 23.44 C ATOM 697 CG1 ILE A 625 1.221 2.752 0.562 1.00 62.11 C ATOM 698 CG2 ILE A 625 0.237 4.594 -0.836 1.00 1.34 C ATOM 699 CD1 ILE A 625 0.931 1.715 -0.515 1.00 63.05 C ATOM 0 H ILE A 625 2.817 4.992 1.594 1.00 42.42 H new ATOM 0 HA ILE A 625 0.010 5.809 1.679 1.00 4.14 H new ATOM 0 HB ILE A 625 -0.722 3.629 0.805 1.00 23.44 H new ATOM 0 HG12 ILE A 625 2.246 3.103 0.442 1.00 62.11 H new ATOM 0 HG13 ILE A 625 1.162 2.268 1.537 1.00 62.11 H new ATOM 0 HG21 ILE A 625 -0.077 3.847 -1.565 1.00 1.34 H new ATOM 0 HG22 ILE A 625 -0.474 5.421 -0.834 1.00 1.34 H new ATOM 0 HG23 ILE A 625 1.226 4.967 -1.102 1.00 1.34 H new ATOM 0 HD11 ILE A 625 1.645 0.896 -0.433 1.00 63.05 H new ATOM 0 HD12 ILE A 625 -0.080 1.329 -0.386 1.00 63.05 H new ATOM 0 HD13 ILE A 625 1.020 2.177 -1.498 1.00 63.05 H new ATOM 706 N ASN A 626 -0.303 4.138 3.587 1.00 23.14 N ATOM 707 CA ASN A 626 -0.397 3.400 4.824 1.00 33.32 C ATOM 708 C ASN A 626 -1.599 2.473 4.754 1.00 54.30 C ATOM 709 O ASN A 626 -2.567 2.776 4.054 1.00 10.10 O ATOM 710 CB ASN A 626 -0.545 4.360 6.007 1.00 23.43 C ATOM 711 CG ASN A 626 -0.580 3.652 7.345 1.00 1.31 C ATOM 712 OD1 ASN A 626 0.038 2.593 7.526 1.00 31.55 O ATOM 713 ND2 ASN A 626 -1.296 4.210 8.277 1.00 3.32 N ATOM 0 H ASN A 626 -1.190 4.519 3.256 1.00 23.14 H new ATOM 0 HA ASN A 626 0.512 2.816 4.968 1.00 33.32 H new ATOM 0 HB2 ASN A 626 0.284 5.068 5.999 1.00 23.43 H new ATOM 0 HB3 ASN A 626 -1.460 4.939 5.885 1.00 23.43 H new ATOM 0 HD21 ASN A 626 -1.364 3.775 9.197 1.00 3.32 H new ATOM 0 HD22 ASN A 626 -1.790 5.082 8.087 1.00 3.32 H new ATOM 719 N VAL A 627 -1.529 1.342 5.430 1.00 30.43 N ATOM 720 CA VAL A 627 -2.652 0.430 5.497 1.00 24.44 C ATOM 721 C VAL A 627 -3.605 0.893 6.532 1.00 2.10 C ATOM 722 O VAL A 627 -3.298 0.842 7.726 1.00 1.54 O ATOM 723 CB VAL A 627 -2.247 -1.024 5.824 1.00 34.53 C ATOM 724 CG1 VAL A 627 -3.495 -1.892 6.060 1.00 20.11 C ATOM 725 CG2 VAL A 627 -1.440 -1.594 4.689 1.00 74.15 C ATOM 0 H VAL A 627 -0.703 1.033 5.942 1.00 30.43 H new ATOM 0 HA VAL A 627 -3.104 0.429 4.505 1.00 24.44 H new ATOM 0 HB VAL A 627 -1.646 -1.022 6.733 1.00 34.53 H new ATOM 0 HG11 VAL A 627 -3.190 -2.913 6.289 1.00 20.11 H new ATOM 0 HG12 VAL A 627 -4.067 -1.488 6.896 1.00 20.11 H new ATOM 0 HG13 VAL A 627 -4.114 -1.891 5.163 1.00 20.11 H new ATOM 0 HG21 VAL A 627 -1.156 -2.620 4.924 1.00 74.15 H new ATOM 0 HG22 VAL A 627 -2.036 -1.582 3.777 1.00 74.15 H new ATOM 0 HG23 VAL A 627 -0.542 -0.993 4.543 1.00 74.15 H new ATOM 731 N CYS A 628 -4.731 1.362 6.062 1.00 64.05 N ATOM 732 CA CYS A 628 -5.837 1.799 6.868 1.00 74.44 C ATOM 733 C CYS A 628 -5.548 3.145 7.529 1.00 11.13 C ATOM 734 O CYS A 628 -4.416 3.456 7.918 1.00 3.45 O ATOM 735 CB CYS A 628 -6.171 0.708 7.915 1.00 61.42 C ATOM 736 SG CYS A 628 -7.515 1.090 9.065 1.00 35.01 S ATOM 0 H CYS A 628 -4.908 1.453 5.062 1.00 64.05 H new ATOM 0 HA CYS A 628 -6.706 1.948 6.227 1.00 74.44 H new ATOM 0 HB2 CYS A 628 -6.424 -0.210 7.385 1.00 61.42 H new ATOM 0 HB3 CYS A 628 -5.271 0.503 8.495 1.00 61.42 H new ATOM 741 N GLY A 629 -6.582 3.921 7.658 1.00 22.33 N ATOM 742 CA GLY A 629 -6.483 5.182 8.308 1.00 50.24 C ATOM 743 C GLY A 629 -5.791 6.189 7.449 1.00 23.44 C ATOM 744 O GLY A 629 -5.950 6.197 6.223 1.00 12.25 O ATOM 0 H GLY A 629 -7.515 3.693 7.314 1.00 22.33 H new ATOM 0 HA2 GLY A 629 -7.481 5.542 8.560 1.00 50.24 H new ATOM 0 HA3 GLY A 629 -5.939 5.067 9.246 1.00 50.24 H new ATOM 748 N PRO A 630 -5.068 7.075 8.071 1.00 20.31 N ATOM 749 CA PRO A 630 -4.290 8.068 7.403 1.00 11.34 C ATOM 750 C PRO A 630 -2.817 7.702 7.276 1.00 32.35 C ATOM 751 O PRO A 630 -2.333 6.721 7.867 1.00 53.05 O ATOM 752 CB PRO A 630 -4.424 9.240 8.331 1.00 4.21 C ATOM 753 CG PRO A 630 -4.650 8.646 9.696 1.00 73.51 C ATOM 754 CD PRO A 630 -4.992 7.213 9.515 1.00 72.21 C ATOM 0 HA PRO A 630 -4.630 8.226 6.379 1.00 11.34 H new ATOM 0 HB2 PRO A 630 -3.526 9.858 8.315 1.00 4.21 H new ATOM 0 HB3 PRO A 630 -5.257 9.880 8.038 1.00 4.21 H new ATOM 0 HG2 PRO A 630 -3.756 8.751 10.311 1.00 73.51 H new ATOM 0 HG3 PRO A 630 -5.455 9.169 10.212 1.00 73.51 H new ATOM 0 HD2 PRO A 630 -4.232 6.560 9.943 1.00 72.21 H new ATOM 0 HD3 PRO A 630 -5.937 6.960 9.995 1.00 72.21 H new ATOM 762 N VAL A 631 -2.121 8.501 6.527 1.00 53.34 N ATOM 763 CA VAL A 631 -0.725 8.360 6.339 1.00 72.12 C ATOM 764 C VAL A 631 -0.044 9.556 6.991 1.00 22.03 C ATOM 765 O VAL A 631 -0.452 10.705 6.783 1.00 42.53 O ATOM 766 CB VAL A 631 -0.369 8.285 4.808 1.00 54.05 C ATOM 767 CG1 VAL A 631 -0.674 9.565 4.030 1.00 41.10 C ATOM 768 CG2 VAL A 631 1.040 7.844 4.585 1.00 53.13 C ATOM 0 H VAL A 631 -2.527 9.287 6.020 1.00 53.34 H new ATOM 0 HA VAL A 631 -0.379 7.433 6.795 1.00 72.12 H new ATOM 0 HB VAL A 631 -1.037 7.525 4.402 1.00 54.05 H new ATOM 0 HG11 VAL A 631 -0.400 9.429 2.984 1.00 41.10 H new ATOM 0 HG12 VAL A 631 -1.739 9.788 4.100 1.00 41.10 H new ATOM 0 HG13 VAL A 631 -0.102 10.392 4.451 1.00 41.10 H new ATOM 0 HG21 VAL A 631 1.244 7.806 3.515 1.00 53.13 H new ATOM 0 HG22 VAL A 631 1.722 8.550 5.059 1.00 53.13 H new ATOM 0 HG23 VAL A 631 1.184 6.854 5.018 1.00 53.13 H new ATOM 774 N SER A 632 0.947 9.316 7.792 1.00 41.52 N ATOM 775 CA SER A 632 1.628 10.406 8.391 1.00 44.41 C ATOM 776 C SER A 632 2.868 10.750 7.593 1.00 2.14 C ATOM 777 O SER A 632 3.961 10.238 7.838 1.00 54.22 O ATOM 778 CB SER A 632 1.939 10.138 9.856 1.00 0.42 C ATOM 779 OG SER A 632 0.741 9.834 10.571 1.00 12.44 O ATOM 0 H SER A 632 1.294 8.389 8.039 1.00 41.52 H new ATOM 0 HA SER A 632 0.970 11.275 8.375 1.00 44.41 H new ATOM 0 HB2 SER A 632 2.641 9.308 9.940 1.00 0.42 H new ATOM 0 HB3 SER A 632 2.422 11.010 10.297 1.00 0.42 H new ATOM 0 HG SER A 632 0.929 9.819 11.533 1.00 12.44 H new ATOM 785 N VAL A 633 2.667 11.528 6.556 1.00 63.32 N ATOM 786 CA VAL A 633 3.773 11.993 5.754 1.00 22.23 C ATOM 787 C VAL A 633 3.935 13.457 6.006 1.00 52.12 C ATOM 788 O VAL A 633 2.958 14.210 5.894 1.00 13.13 O ATOM 789 CB VAL A 633 3.531 11.814 4.232 1.00 11.10 C ATOM 790 CG1 VAL A 633 4.811 12.015 3.446 1.00 1.21 C ATOM 791 CG2 VAL A 633 2.928 10.492 3.932 1.00 55.34 C ATOM 0 H VAL A 633 1.750 11.852 6.248 1.00 63.32 H new ATOM 0 HA VAL A 633 4.650 11.409 6.031 1.00 22.23 H new ATOM 0 HB VAL A 633 2.822 12.581 3.922 1.00 11.10 H new ATOM 0 HG11 VAL A 633 4.610 11.883 2.383 1.00 1.21 H new ATOM 0 HG12 VAL A 633 5.191 13.021 3.621 1.00 1.21 H new ATOM 0 HG13 VAL A 633 5.554 11.285 3.768 1.00 1.21 H new ATOM 0 HG21 VAL A 633 2.771 10.399 2.857 1.00 55.34 H new ATOM 0 HG22 VAL A 633 3.597 9.701 4.271 1.00 55.34 H new ATOM 0 HG23 VAL A 633 1.971 10.403 4.447 1.00 55.34 H new ATOM 797 N GLY A 634 5.138 13.884 6.304 1.00 53.45 N ATOM 798 CA GLY A 634 5.392 15.292 6.530 1.00 40.00 C ATOM 799 C GLY A 634 5.470 16.070 5.225 1.00 3.12 C ATOM 800 O GLY A 634 6.342 16.919 5.047 1.00 75.20 O ATOM 0 H GLY A 634 5.956 13.282 6.396 1.00 53.45 H new ATOM 0 HA2 GLY A 634 4.601 15.708 7.154 1.00 40.00 H new ATOM 0 HA3 GLY A 634 6.326 15.409 7.079 1.00 40.00 H new ATOM 804 N ALA A 635 4.566 15.759 4.310 1.00 52.01 N ATOM 805 CA ALA A 635 4.490 16.428 3.030 1.00 3.12 C ATOM 806 C ALA A 635 3.042 16.527 2.572 1.00 42.03 C ATOM 807 O ALA A 635 2.721 17.278 1.647 1.00 30.14 O ATOM 808 CB ALA A 635 5.323 15.686 1.989 1.00 24.12 C ATOM 0 H ALA A 635 3.863 15.031 4.439 1.00 52.01 H new ATOM 0 HA ALA A 635 4.892 17.435 3.142 1.00 3.12 H new ATOM 0 HB1 ALA A 635 5.254 16.203 1.032 1.00 24.12 H new ATOM 0 HB2 ALA A 635 6.364 15.655 2.311 1.00 24.12 H new ATOM 0 HB3 ALA A 635 4.947 14.669 1.880 1.00 24.12 H new ATOM 814 N CYS A 636 2.165 15.788 3.239 1.00 31.22 N ATOM 815 CA CYS A 636 0.770 15.735 2.865 1.00 52.22 C ATOM 816 C CYS A 636 -0.107 15.856 4.109 1.00 5.22 C ATOM 817 O CYS A 636 0.355 15.545 5.224 1.00 32.44 O ATOM 818 CB CYS A 636 0.481 14.413 2.152 1.00 71.41 C ATOM 819 SG CYS A 636 1.445 14.158 0.629 1.00 3.12 S ATOM 0 H CYS A 636 2.405 15.215 4.048 1.00 31.22 H new ATOM 0 HA CYS A 636 0.547 16.563 2.193 1.00 52.22 H new ATOM 0 HB2 CYS A 636 0.684 13.591 2.839 1.00 71.41 H new ATOM 0 HB3 CYS A 636 -0.580 14.370 1.908 1.00 71.41 H new ATOM 824 N PRO A 637 -1.365 16.324 3.954 1.00 44.11 N ATOM 825 CA PRO A 637 -2.300 16.454 5.069 1.00 31.03 C ATOM 826 C PRO A 637 -2.573 15.104 5.751 1.00 34.02 C ATOM 827 O PRO A 637 -2.650 14.066 5.082 1.00 33.10 O ATOM 828 CB PRO A 637 -3.593 16.962 4.414 1.00 52.23 C ATOM 829 CG PRO A 637 -3.173 17.545 3.116 1.00 34.21 C ATOM 830 CD PRO A 637 -1.968 16.773 2.680 1.00 35.44 C ATOM 0 HA PRO A 637 -1.907 17.114 5.842 1.00 31.03 H new ATOM 0 HB2 PRO A 637 -4.305 16.150 4.268 1.00 52.23 H new ATOM 0 HB3 PRO A 637 -4.084 17.708 5.039 1.00 52.23 H new ATOM 0 HG2 PRO A 637 -3.972 17.468 2.378 1.00 34.21 H new ATOM 0 HG3 PRO A 637 -2.939 18.604 3.223 1.00 34.21 H new ATOM 0 HD2 PRO A 637 -2.240 15.929 2.046 1.00 35.44 H new ATOM 0 HD3 PRO A 637 -1.279 17.394 2.107 1.00 35.44 H new ATOM 838 N PRO A 638 -2.736 15.103 7.090 1.00 41.31 N ATOM 839 CA PRO A 638 -3.021 13.887 7.880 1.00 2.34 C ATOM 840 C PRO A 638 -4.368 13.256 7.521 1.00 23.23 C ATOM 841 O PRO A 638 -4.675 12.163 7.936 1.00 30.15 O ATOM 842 CB PRO A 638 -3.047 14.391 9.327 1.00 44.42 C ATOM 843 CG PRO A 638 -2.311 15.679 9.289 1.00 42.24 C ATOM 844 CD PRO A 638 -2.634 16.282 7.964 1.00 34.11 C ATOM 0 HA PRO A 638 -2.280 13.109 7.696 1.00 2.34 H new ATOM 0 HB2 PRO A 638 -4.069 14.529 9.680 1.00 44.42 H new ATOM 0 HB3 PRO A 638 -2.569 13.681 10.002 1.00 44.42 H new ATOM 0 HG2 PRO A 638 -2.621 16.333 10.104 1.00 42.24 H new ATOM 0 HG3 PRO A 638 -1.238 15.521 9.398 1.00 42.24 H new ATOM 0 HD2 PRO A 638 -3.566 16.847 7.992 1.00 34.11 H new ATOM 0 HD3 PRO A 638 -1.855 16.968 7.630 1.00 34.11 H new ATOM 852 N ASP A 639 -5.177 13.979 6.765 1.00 2.24 N ATOM 853 CA ASP A 639 -6.482 13.476 6.335 1.00 2.24 C ATOM 854 C ASP A 639 -6.348 12.537 5.169 1.00 23.23 C ATOM 855 O ASP A 639 -7.331 11.974 4.704 1.00 34.42 O ATOM 856 CB ASP A 639 -7.423 14.603 5.942 1.00 52.30 C ATOM 857 CG ASP A 639 -7.732 15.527 7.073 1.00 54.11 C ATOM 858 OD1 ASP A 639 -8.549 15.166 7.937 1.00 13.03 O ATOM 859 OD2 ASP A 639 -7.143 16.640 7.135 1.00 25.14 O ATOM 0 H ASP A 639 -4.958 14.918 6.433 1.00 2.24 H new ATOM 0 HA ASP A 639 -6.900 12.944 7.190 1.00 2.24 H new ATOM 0 HB2 ASP A 639 -6.978 15.173 5.126 1.00 52.30 H new ATOM 0 HB3 ASP A 639 -8.352 14.177 5.564 1.00 52.30 H new ATOM 864 N SER A 640 -5.153 12.371 4.693 1.00 24.13 N ATOM 865 CA SER A 640 -4.907 11.503 3.597 1.00 0.12 C ATOM 866 C SER A 640 -4.364 10.181 4.116 1.00 64.14 C ATOM 867 O SER A 640 -3.659 10.156 5.115 1.00 71.43 O ATOM 868 CB SER A 640 -3.915 12.158 2.629 1.00 14.02 C ATOM 869 OG SER A 640 -3.672 11.341 1.503 1.00 13.14 O ATOM 0 H SER A 640 -4.323 12.837 5.058 1.00 24.13 H new ATOM 0 HA SER A 640 -5.836 11.314 3.058 1.00 0.12 H new ATOM 0 HB2 SER A 640 -4.306 13.122 2.303 1.00 14.02 H new ATOM 0 HB3 SER A 640 -2.976 12.354 3.147 1.00 14.02 H new ATOM 0 HG SER A 640 -4.414 11.429 0.869 1.00 13.14 H new ATOM 875 N GLY A 641 -4.740 9.099 3.468 1.00 63.40 N ATOM 876 CA GLY A 641 -4.235 7.783 3.817 1.00 63.51 C ATOM 877 C GLY A 641 -3.214 7.301 2.805 1.00 64.55 C ATOM 878 O GLY A 641 -2.476 6.331 3.044 1.00 31.21 O ATOM 0 H GLY A 641 -5.399 9.103 2.690 1.00 63.40 H new ATOM 0 HA2 GLY A 641 -3.781 7.816 4.808 1.00 63.51 H new ATOM 0 HA3 GLY A 641 -5.062 7.075 3.868 1.00 63.51 H new ATOM 882 N ALA A 642 -3.164 7.988 1.680 1.00 71.30 N ATOM 883 CA ALA A 642 -2.223 7.708 0.624 1.00 51.34 C ATOM 884 C ALA A 642 -2.008 8.978 -0.165 1.00 62.41 C ATOM 885 O ALA A 642 -2.960 9.578 -0.670 1.00 14.22 O ATOM 886 CB ALA A 642 -2.749 6.594 -0.271 1.00 75.22 C ATOM 0 H ALA A 642 -3.788 8.768 1.475 1.00 71.30 H new ATOM 0 HA ALA A 642 -1.274 7.372 1.043 1.00 51.34 H new ATOM 0 HB1 ALA A 642 -2.028 6.393 -1.064 1.00 75.22 H new ATOM 0 HB2 ALA A 642 -2.898 5.691 0.321 1.00 75.22 H new ATOM 0 HB3 ALA A 642 -3.698 6.899 -0.712 1.00 75.22 H new ATOM 892 N CYS A 643 -0.783 9.392 -0.259 1.00 12.11 N ATOM 893 CA CYS A 643 -0.445 10.620 -0.919 1.00 53.42 C ATOM 894 C CYS A 643 0.830 10.464 -1.717 1.00 1.33 C ATOM 895 O CYS A 643 1.797 9.844 -1.248 1.00 30.03 O ATOM 896 CB CYS A 643 -0.323 11.765 0.092 1.00 24.35 C ATOM 897 SG CYS A 643 0.085 13.386 -0.647 1.00 31.33 S ATOM 0 H CYS A 643 0.017 8.887 0.121 1.00 12.11 H new ATOM 0 HA CYS A 643 -1.249 10.868 -1.612 1.00 53.42 H new ATOM 0 HB2 CYS A 643 -1.263 11.854 0.637 1.00 24.35 H new ATOM 0 HB3 CYS A 643 0.445 11.509 0.822 1.00 24.35 H new ATOM 902 N GLN A 644 0.829 10.975 -2.915 1.00 23.32 N ATOM 903 CA GLN A 644 2.002 10.926 -3.746 1.00 33.11 C ATOM 904 C GLN A 644 2.624 12.284 -3.852 1.00 21.41 C ATOM 905 O GLN A 644 1.926 13.290 -3.892 1.00 24.54 O ATOM 906 CB GLN A 644 1.693 10.453 -5.150 1.00 50.54 C ATOM 907 CG GLN A 644 0.580 11.218 -5.844 1.00 34.54 C ATOM 908 CD GLN A 644 0.420 10.863 -7.315 1.00 15.44 C ATOM 909 OE1 GLN A 644 -0.676 10.935 -7.867 1.00 40.33 O ATOM 910 NE2 GLN A 644 1.506 10.488 -7.963 1.00 53.33 N ATOM 0 H GLN A 644 0.024 11.434 -3.342 1.00 23.32 H new ATOM 0 HA GLN A 644 2.682 10.218 -3.272 1.00 33.11 H new ATOM 0 HB2 GLN A 644 2.598 10.529 -5.752 1.00 50.54 H new ATOM 0 HB3 GLN A 644 1.422 9.398 -5.113 1.00 50.54 H new ATOM 0 HG2 GLN A 644 -0.360 11.023 -5.328 1.00 34.54 H new ATOM 0 HG3 GLN A 644 0.776 12.287 -5.756 1.00 34.54 H new ATOM 0 HE21 GLN A 644 2.400 10.439 -7.474 1.00 53.33 H new ATOM 0 HE22 GLN A 644 1.452 10.247 -8.953 1.00 53.33 H new ATOM 918 N VAL A 645 3.916 12.311 -3.909 1.00 2.30 N ATOM 919 CA VAL A 645 4.633 13.523 -4.082 1.00 40.42 C ATOM 920 C VAL A 645 5.722 13.310 -5.118 1.00 51.05 C ATOM 921 O VAL A 645 6.411 12.281 -5.130 1.00 62.04 O ATOM 922 CB VAL A 645 5.187 14.129 -2.734 1.00 32.11 C ATOM 923 CG1 VAL A 645 6.132 13.191 -2.025 1.00 73.32 C ATOM 924 CG2 VAL A 645 5.845 15.487 -2.960 1.00 61.22 C ATOM 0 H VAL A 645 4.505 11.482 -3.836 1.00 2.30 H new ATOM 0 HA VAL A 645 3.936 14.279 -4.445 1.00 40.42 H new ATOM 0 HB VAL A 645 4.324 14.270 -2.084 1.00 32.11 H new ATOM 0 HG11 VAL A 645 6.484 13.656 -1.104 1.00 73.32 H new ATOM 0 HG12 VAL A 645 5.613 12.263 -1.787 1.00 73.32 H new ATOM 0 HG13 VAL A 645 6.983 12.975 -2.671 1.00 73.32 H new ATOM 0 HG21 VAL A 645 6.215 15.875 -2.011 1.00 61.22 H new ATOM 0 HG22 VAL A 645 6.677 15.377 -3.656 1.00 61.22 H new ATOM 0 HG23 VAL A 645 5.114 16.181 -3.375 1.00 61.22 H new ATOM 930 N SER A 646 5.812 14.227 -6.022 1.00 2.41 N ATOM 931 CA SER A 646 6.777 14.178 -7.052 1.00 51.40 C ATOM 932 C SER A 646 8.108 14.618 -6.510 1.00 12.42 C ATOM 933 O SER A 646 8.253 15.745 -6.056 1.00 4.35 O ATOM 934 CB SER A 646 6.355 15.093 -8.205 1.00 10.31 C ATOM 935 OG SER A 646 7.300 15.055 -9.263 1.00 31.35 O ATOM 0 H SER A 646 5.202 15.044 -6.061 1.00 2.41 H new ATOM 0 HA SER A 646 6.858 13.157 -7.424 1.00 51.40 H new ATOM 0 HB2 SER A 646 5.377 14.787 -8.576 1.00 10.31 H new ATOM 0 HB3 SER A 646 6.252 16.116 -7.842 1.00 10.31 H new ATOM 0 HG SER A 646 6.856 15.281 -10.107 1.00 31.35 H new ATOM 941 N ARG A 647 9.068 13.732 -6.534 1.00 51.51 N ATOM 942 CA ARG A 647 10.408 14.066 -6.109 1.00 71.21 C ATOM 943 C ARG A 647 11.033 14.993 -7.159 1.00 24.45 C ATOM 944 O ARG A 647 11.987 15.716 -6.898 1.00 32.01 O ATOM 945 CB ARG A 647 11.235 12.784 -5.912 1.00 2.43 C ATOM 946 CG ARG A 647 11.604 12.044 -7.179 1.00 60.15 C ATOM 947 CD ARG A 647 12.120 10.657 -6.856 1.00 72.21 C ATOM 948 NE ARG A 647 13.240 10.677 -5.925 1.00 32.45 N ATOM 949 CZ ARG A 647 13.522 9.702 -5.049 1.00 1.22 C ATOM 950 NH1 ARG A 647 12.775 8.601 -5.001 1.00 34.02 N ATOM 951 NH2 ARG A 647 14.548 9.831 -4.228 1.00 42.13 N ATOM 0 H ARG A 647 8.949 12.768 -6.845 1.00 51.51 H new ATOM 0 HA ARG A 647 10.388 14.585 -5.150 1.00 71.21 H new ATOM 0 HB2 ARG A 647 12.152 13.042 -5.383 1.00 2.43 H new ATOM 0 HB3 ARG A 647 10.675 12.107 -5.267 1.00 2.43 H new ATOM 0 HG2 ARG A 647 10.733 11.971 -7.831 1.00 60.15 H new ATOM 0 HG3 ARG A 647 12.364 12.603 -7.724 1.00 60.15 H new ATOM 0 HD2 ARG A 647 11.311 10.062 -6.432 1.00 72.21 H new ATOM 0 HD3 ARG A 647 12.428 10.164 -7.778 1.00 72.21 H new ATOM 0 HE ARG A 647 13.854 11.491 -5.941 1.00 32.45 H new ATOM 0 HH11 ARG A 647 11.982 8.495 -5.633 1.00 34.02 H new ATOM 0 HH12 ARG A 647 12.996 7.864 -4.332 1.00 34.02 H new ATOM 0 HH21 ARG A 647 15.125 10.672 -4.261 1.00 42.13 H new ATOM 0 HH22 ARG A 647 14.764 9.090 -3.561 1.00 42.13 H new ATOM 963 N SER A 648 10.447 14.943 -8.351 1.00 62.25 N ATOM 964 CA SER A 648 10.863 15.723 -9.482 1.00 61.05 C ATOM 965 C SER A 648 10.294 17.159 -9.417 1.00 74.12 C ATOM 966 O SER A 648 11.023 18.140 -9.590 1.00 42.04 O ATOM 967 CB SER A 648 10.356 15.022 -10.762 1.00 13.10 C ATOM 968 OG SER A 648 10.784 15.676 -11.946 1.00 24.41 O ATOM 0 H SER A 648 9.650 14.339 -8.549 1.00 62.25 H new ATOM 0 HA SER A 648 11.950 15.798 -9.484 1.00 61.05 H new ATOM 0 HB2 SER A 648 10.710 13.991 -10.772 1.00 13.10 H new ATOM 0 HB3 SER A 648 9.267 14.985 -10.745 1.00 13.10 H new ATOM 0 HG SER A 648 10.002 15.964 -12.462 1.00 24.41 H new ATOM 974 N ASP A 649 8.993 17.267 -9.153 1.00 22.25 N ATOM 975 CA ASP A 649 8.291 18.567 -9.249 1.00 64.30 C ATOM 976 C ASP A 649 8.013 19.187 -7.895 1.00 63.34 C ATOM 977 O ASP A 649 7.743 20.380 -7.801 1.00 23.42 O ATOM 978 CB ASP A 649 6.947 18.403 -9.974 1.00 64.45 C ATOM 979 CG ASP A 649 7.039 17.689 -11.300 1.00 55.13 C ATOM 980 OD1 ASP A 649 7.504 18.288 -12.285 1.00 73.13 O ATOM 981 OD2 ASP A 649 6.643 16.495 -11.367 1.00 52.43 O ATOM 0 H ASP A 649 8.400 16.486 -8.873 1.00 22.25 H new ATOM 0 HA ASP A 649 8.959 19.225 -9.805 1.00 64.30 H new ATOM 0 HB2 ASP A 649 6.263 17.855 -9.326 1.00 64.45 H new ATOM 0 HB3 ASP A 649 6.512 19.389 -10.135 1.00 64.45 H new ATOM 986 N ARG A 650 8.052 18.359 -6.868 1.00 4.22 N ATOM 987 CA ARG A 650 7.710 18.728 -5.461 1.00 63.32 C ATOM 988 C ARG A 650 6.206 18.953 -5.293 1.00 65.20 C ATOM 989 O ARG A 650 5.735 19.497 -4.286 1.00 11.43 O ATOM 990 CB ARG A 650 8.534 19.924 -4.938 1.00 64.21 C ATOM 991 CG ARG A 650 10.022 19.631 -4.781 1.00 65.33 C ATOM 992 CD ARG A 650 10.250 18.508 -3.777 1.00 30.34 C ATOM 993 NE ARG A 650 11.671 18.209 -3.575 1.00 55.14 N ATOM 994 CZ ARG A 650 12.132 17.212 -2.805 1.00 43.40 C ATOM 995 NH1 ARG A 650 11.277 16.429 -2.151 1.00 41.25 N ATOM 996 NH2 ARG A 650 13.440 17.020 -2.668 1.00 21.44 N ATOM 0 H ARG A 650 8.326 17.381 -6.966 1.00 4.22 H new ATOM 0 HA ARG A 650 7.988 17.877 -4.839 1.00 63.32 H new ATOM 0 HB2 ARG A 650 8.410 20.764 -5.621 1.00 64.21 H new ATOM 0 HB3 ARG A 650 8.132 20.235 -3.974 1.00 64.21 H new ATOM 0 HG2 ARG A 650 10.446 19.354 -5.746 1.00 65.33 H new ATOM 0 HG3 ARG A 650 10.541 20.531 -4.451 1.00 65.33 H new ATOM 0 HD2 ARG A 650 9.802 18.783 -2.822 1.00 30.34 H new ATOM 0 HD3 ARG A 650 9.739 17.609 -4.122 1.00 30.34 H new ATOM 0 HE ARG A 650 12.354 18.798 -4.051 1.00 55.14 H new ATOM 0 HH11 ARG A 650 10.273 16.588 -2.236 1.00 41.25 H new ATOM 0 HH12 ARG A 650 11.626 15.670 -1.565 1.00 41.25 H new ATOM 0 HH21 ARG A 650 14.099 17.632 -3.150 1.00 21.44 H new ATOM 0 HH22 ARG A 650 13.785 16.260 -2.081 1.00 21.44 H new ATOM 1008 N LYS A 651 5.474 18.445 -6.250 1.00 0.14 N ATOM 1009 CA LYS A 651 4.021 18.476 -6.280 1.00 33.22 C ATOM 1010 C LYS A 651 3.483 17.270 -5.545 1.00 61.44 C ATOM 1011 O LYS A 651 4.050 16.193 -5.666 1.00 65.13 O ATOM 1012 CB LYS A 651 3.570 18.330 -7.718 1.00 31.23 C ATOM 1013 CG LYS A 651 3.855 19.463 -8.653 1.00 42.43 C ATOM 1014 CD LYS A 651 2.934 20.616 -8.395 1.00 14.45 C ATOM 1015 CE LYS A 651 3.008 21.623 -9.515 1.00 31.25 C ATOM 1016 NZ LYS A 651 2.185 22.822 -9.247 1.00 54.33 N ATOM 0 H LYS A 651 5.880 17.980 -7.062 1.00 0.14 H new ATOM 0 HA LYS A 651 3.670 19.405 -5.831 1.00 33.22 H new ATOM 0 HB2 LYS A 651 4.035 17.433 -8.126 1.00 31.23 H new ATOM 0 HB3 LYS A 651 2.494 18.159 -7.717 1.00 31.23 H new ATOM 0 HG2 LYS A 651 4.889 19.786 -8.535 1.00 42.43 H new ATOM 0 HG3 LYS A 651 3.742 19.126 -9.683 1.00 42.43 H new ATOM 0 HD2 LYS A 651 1.911 20.254 -8.293 1.00 14.45 H new ATOM 0 HD3 LYS A 651 3.199 21.094 -7.452 1.00 14.45 H new ATOM 0 HE2 LYS A 651 4.045 21.923 -9.663 1.00 31.25 H new ATOM 0 HE3 LYS A 651 2.676 21.157 -10.442 1.00 31.25 H new ATOM 0 HZ1 LYS A 651 2.268 23.485 -10.044 1.00 54.33 H new ATOM 0 HZ2 LYS A 651 1.190 22.542 -9.132 1.00 54.33 H new ATOM 0 HZ3 LYS A 651 2.518 23.284 -8.377 1.00 54.33 H new ATOM 1030 N SER A 652 2.417 17.422 -4.815 1.00 34.43 N ATOM 1031 CA SER A 652 1.801 16.284 -4.195 1.00 71.21 C ATOM 1032 C SER A 652 0.333 16.214 -4.552 1.00 22.20 C ATOM 1033 O SER A 652 -0.311 17.246 -4.810 1.00 72.42 O ATOM 1034 CB SER A 652 2.024 16.244 -2.681 1.00 71.10 C ATOM 1035 OG SER A 652 1.511 17.412 -2.038 1.00 73.33 O ATOM 0 H SER A 652 1.958 18.315 -4.635 1.00 34.43 H new ATOM 0 HA SER A 652 2.290 15.394 -4.591 1.00 71.21 H new ATOM 0 HB2 SER A 652 1.542 15.359 -2.266 1.00 71.10 H new ATOM 0 HB3 SER A 652 3.090 16.153 -2.473 1.00 71.10 H new ATOM 0 HG SER A 652 1.670 17.350 -1.073 1.00 73.33 H new ATOM 1041 N TRP A 653 -0.179 15.013 -4.603 1.00 30.12 N ATOM 1042 CA TRP A 653 -1.546 14.768 -4.965 1.00 63.32 C ATOM 1043 C TRP A 653 -2.156 13.813 -3.962 1.00 34.24 C ATOM 1044 O TRP A 653 -1.457 12.954 -3.411 1.00 11.13 O ATOM 1045 CB TRP A 653 -1.622 14.180 -6.390 1.00 65.25 C ATOM 1046 CG TRP A 653 -1.036 15.087 -7.449 1.00 42.43 C ATOM 1047 CD1 TRP A 653 -1.671 16.094 -8.116 1.00 24.24 C ATOM 1048 CD2 TRP A 653 0.311 15.069 -7.949 1.00 53.14 C ATOM 1049 NE1 TRP A 653 -0.801 16.698 -8.994 1.00 21.14 N ATOM 1050 CE2 TRP A 653 0.413 16.087 -8.911 1.00 4.44 C ATOM 1051 CE3 TRP A 653 1.437 14.292 -7.673 1.00 2.15 C ATOM 1052 CZ2 TRP A 653 1.589 16.345 -9.596 1.00 30.24 C ATOM 1053 CZ3 TRP A 653 2.600 14.544 -8.346 1.00 55.32 C ATOM 1054 CH2 TRP A 653 2.672 15.569 -9.302 1.00 42.33 C ATOM 0 H TRP A 653 0.350 14.167 -4.391 1.00 30.12 H new ATOM 0 HA TRP A 653 -2.103 15.705 -4.956 1.00 63.32 H new ATOM 0 HB2 TRP A 653 -1.096 13.225 -6.409 1.00 65.25 H new ATOM 0 HB3 TRP A 653 -2.664 13.975 -6.635 1.00 65.25 H new ATOM 0 HD1 TRP A 653 -2.704 16.375 -7.975 1.00 24.24 H new ATOM 0 HE1 TRP A 653 -1.029 17.479 -9.609 1.00 21.14 H new ATOM 0 HE3 TRP A 653 1.390 13.502 -6.938 1.00 2.15 H new ATOM 0 HZ2 TRP A 653 1.646 17.131 -10.335 1.00 30.24 H new ATOM 0 HZ3 TRP A 653 3.475 13.946 -8.139 1.00 55.32 H new ATOM 0 HH2 TRP A 653 3.605 15.747 -9.816 1.00 42.33 H new ATOM 1065 N ASN A 654 -3.441 13.932 -3.747 1.00 32.12 N ATOM 1066 CA ASN A 654 -4.119 13.128 -2.751 1.00 65.40 C ATOM 1067 C ASN A 654 -4.698 11.917 -3.419 1.00 43.32 C ATOM 1068 O ASN A 654 -5.483 12.035 -4.362 1.00 35.23 O ATOM 1069 CB ASN A 654 -5.237 13.941 -2.094 1.00 61.55 C ATOM 1070 CG ASN A 654 -5.934 13.224 -0.959 1.00 53.12 C ATOM 1071 OD1 ASN A 654 -5.376 12.340 -0.326 1.00 3.40 O ATOM 1072 ND2 ASN A 654 -7.137 13.639 -0.662 1.00 33.53 N ATOM 0 H ASN A 654 -4.046 14.581 -4.250 1.00 32.12 H new ATOM 0 HA ASN A 654 -3.410 12.823 -1.981 1.00 65.40 H new ATOM 0 HB2 ASN A 654 -4.820 14.875 -1.718 1.00 61.55 H new ATOM 0 HB3 ASN A 654 -5.975 14.203 -2.852 1.00 61.55 H new ATOM 0 HD21 ASN A 654 -7.641 13.223 0.121 1.00 33.53 H new ATOM 0 HD22 ASN A 654 -7.572 14.379 -1.213 1.00 33.53 H new ATOM 1078 N LEU A 655 -4.306 10.764 -2.938 1.00 12.21 N ATOM 1079 CA LEU A 655 -4.694 9.508 -3.533 1.00 22.31 C ATOM 1080 C LEU A 655 -5.761 8.838 -2.703 1.00 4.41 C ATOM 1081 O LEU A 655 -6.063 7.649 -2.885 1.00 74.51 O ATOM 1082 CB LEU A 655 -3.482 8.599 -3.622 1.00 2.25 C ATOM 1083 CG LEU A 655 -2.284 9.145 -4.369 1.00 61.03 C ATOM 1084 CD1 LEU A 655 -1.175 8.117 -4.419 1.00 41.42 C ATOM 1085 CD2 LEU A 655 -2.683 9.563 -5.752 1.00 21.11 C ATOM 0 H LEU A 655 -3.706 10.669 -2.119 1.00 12.21 H new ATOM 0 HA LEU A 655 -5.091 9.698 -4.530 1.00 22.31 H new ATOM 0 HB2 LEU A 655 -3.168 8.349 -2.609 1.00 2.25 H new ATOM 0 HB3 LEU A 655 -3.787 7.668 -4.100 1.00 2.25 H new ATOM 0 HG LEU A 655 -1.911 10.020 -3.837 1.00 61.03 H new ATOM 0 HD11 LEU A 655 -0.322 8.528 -4.960 1.00 41.42 H new ATOM 0 HD12 LEU A 655 -0.871 7.860 -3.404 1.00 41.42 H new ATOM 0 HD13 LEU A 655 -1.531 7.222 -4.929 1.00 41.42 H new ATOM 0 HD21 LEU A 655 -1.813 9.954 -6.279 1.00 21.11 H new ATOM 0 HD22 LEU A 655 -3.078 8.703 -6.292 1.00 21.11 H new ATOM 0 HD23 LEU A 655 -3.448 10.337 -5.692 1.00 21.11 H new ATOM 1093 N GLY A 656 -6.311 9.578 -1.784 1.00 42.05 N ATOM 1094 CA GLY A 656 -7.358 9.054 -0.992 1.00 32.40 C ATOM 1095 C GLY A 656 -7.283 9.511 0.426 1.00 23.01 C ATOM 1096 O GLY A 656 -6.220 9.470 1.051 1.00 64.12 O ATOM 0 H GLY A 656 -6.046 10.540 -1.574 1.00 42.05 H new ATOM 0 HA2 GLY A 656 -8.316 9.353 -1.417 1.00 32.40 H new ATOM 0 HA3 GLY A 656 -7.322 7.965 -1.022 1.00 32.40 H new ATOM 1100 N ARG A 657 -8.404 9.956 0.943 1.00 55.43 N ATOM 1101 CA ARG A 657 -8.494 10.390 2.305 1.00 43.01 C ATOM 1102 C ARG A 657 -8.444 9.177 3.226 1.00 1.12 C ATOM 1103 O ARG A 657 -8.536 8.038 2.748 1.00 13.13 O ATOM 1104 CB ARG A 657 -9.785 11.176 2.511 1.00 33.30 C ATOM 1105 CG ARG A 657 -9.884 12.398 1.618 1.00 63.53 C ATOM 1106 CD ARG A 657 -11.232 13.082 1.736 1.00 14.25 C ATOM 1107 NE ARG A 657 -11.276 14.303 0.932 1.00 2.12 N ATOM 1108 CZ ARG A 657 -12.304 14.700 0.169 1.00 12.35 C ATOM 1109 NH1 ARG A 657 -13.392 13.944 0.045 1.00 21.32 N ATOM 1110 NH2 ARG A 657 -12.229 15.853 -0.475 1.00 65.14 N ATOM 0 H ARG A 657 -9.279 10.025 0.423 1.00 55.43 H new ATOM 0 HA ARG A 657 -7.654 11.043 2.542 1.00 43.01 H new ATOM 0 HB2 ARG A 657 -10.636 10.523 2.319 1.00 33.30 H new ATOM 0 HB3 ARG A 657 -9.851 11.488 3.553 1.00 33.30 H new ATOM 0 HG2 ARG A 657 -9.096 13.103 1.881 1.00 63.53 H new ATOM 0 HG3 ARG A 657 -9.716 12.104 0.582 1.00 63.53 H new ATOM 0 HD2 ARG A 657 -12.018 12.401 1.411 1.00 14.25 H new ATOM 0 HD3 ARG A 657 -11.430 13.323 2.780 1.00 14.25 H new ATOM 0 HE ARG A 657 -10.453 14.905 0.954 1.00 2.12 H new ATOM 0 HH11 ARG A 657 -13.451 13.051 0.534 1.00 21.32 H new ATOM 0 HH12 ARG A 657 -14.167 14.258 -0.539 1.00 21.32 H new ATOM 0 HH21 ARG A 657 -11.394 16.432 -0.389 1.00 65.14 H new ATOM 0 HH22 ARG A 657 -13.006 16.163 -1.058 1.00 65.14 H new ATOM 1122 N SER A 658 -8.306 9.422 4.511 1.00 52.22 N ATOM 1123 CA SER A 658 -8.223 8.368 5.512 1.00 32.34 C ATOM 1124 C SER A 658 -9.449 7.454 5.429 1.00 63.44 C ATOM 1125 O SER A 658 -10.595 7.910 5.568 1.00 33.42 O ATOM 1126 CB SER A 658 -8.170 9.000 6.892 1.00 45.51 C ATOM 1127 OG SER A 658 -7.154 9.990 6.959 1.00 54.14 O ATOM 0 H SER A 658 -8.247 10.364 4.899 1.00 52.22 H new ATOM 0 HA SER A 658 -7.326 7.776 5.330 1.00 32.34 H new ATOM 0 HB2 SER A 658 -9.135 9.448 7.128 1.00 45.51 H new ATOM 0 HB3 SER A 658 -7.983 8.231 7.641 1.00 45.51 H new ATOM 0 HG SER A 658 -7.242 10.493 7.796 1.00 54.14 H new ATOM 1133 N ASN A 659 -9.205 6.184 5.195 1.00 62.22 N ATOM 1134 CA ASN A 659 -10.258 5.212 5.002 1.00 44.21 C ATOM 1135 C ASN A 659 -9.727 3.850 5.415 1.00 2.31 C ATOM 1136 O ASN A 659 -8.521 3.696 5.591 1.00 44.10 O ATOM 1137 CB ASN A 659 -10.662 5.206 3.522 1.00 1.21 C ATOM 1138 CG ASN A 659 -11.888 4.381 3.237 1.00 41.03 C ATOM 1139 OD1 ASN A 659 -12.769 4.241 4.078 1.00 54.50 O ATOM 1140 ND2 ASN A 659 -11.934 3.813 2.074 1.00 74.43 N ATOM 0 H ASN A 659 -8.265 5.794 5.133 1.00 62.22 H new ATOM 0 HA ASN A 659 -11.133 5.457 5.603 1.00 44.21 H new ATOM 0 HB2 ASN A 659 -10.841 6.231 3.198 1.00 1.21 H new ATOM 0 HB3 ASN A 659 -9.831 4.825 2.928 1.00 1.21 H new ATOM 0 HD21 ASN A 659 -12.727 3.221 1.827 1.00 74.43 H new ATOM 0 HD22 ASN A 659 -11.178 3.958 1.405 1.00 74.43 H new ATOM 1146 N ALA A 660 -10.591 2.876 5.591 1.00 41.51 N ATOM 1147 CA ALA A 660 -10.148 1.559 6.012 1.00 42.44 C ATOM 1148 C ALA A 660 -10.971 0.485 5.360 1.00 43.31 C ATOM 1149 O ALA A 660 -11.065 -0.618 5.864 1.00 11.52 O ATOM 1150 CB ALA A 660 -10.244 1.437 7.521 1.00 3.34 C ATOM 0 H ALA A 660 -11.597 2.966 5.451 1.00 41.51 H new ATOM 0 HA ALA A 660 -9.110 1.433 5.705 1.00 42.44 H new ATOM 0 HB1 ALA A 660 -9.910 0.446 7.828 1.00 3.34 H new ATOM 0 HB2 ALA A 660 -9.613 2.193 7.988 1.00 3.34 H new ATOM 0 HB3 ALA A 660 -11.278 1.584 7.833 1.00 3.34 H new ATOM 1156 N LYS A 661 -11.535 0.781 4.217 1.00 43.02 N ATOM 1157 CA LYS A 661 -12.395 -0.180 3.577 1.00 43.23 C ATOM 1158 C LYS A 661 -11.585 -1.281 2.908 1.00 42.54 C ATOM 1159 O LYS A 661 -11.053 -1.110 1.792 1.00 14.15 O ATOM 1160 CB LYS A 661 -13.319 0.485 2.561 1.00 31.51 C ATOM 1161 CG LYS A 661 -14.155 1.610 3.116 1.00 42.23 C ATOM 1162 CD LYS A 661 -15.055 1.154 4.228 1.00 54.31 C ATOM 1163 CE LYS A 661 -15.931 2.294 4.664 1.00 14.34 C ATOM 1164 NZ LYS A 661 -16.945 1.897 5.664 1.00 33.45 N ATOM 0 H LYS A 661 -11.418 1.663 3.718 1.00 43.02 H new ATOM 0 HA LYS A 661 -13.012 -0.628 4.356 1.00 43.23 H new ATOM 0 HB2 LYS A 661 -12.716 0.869 1.738 1.00 31.51 H new ATOM 0 HB3 LYS A 661 -13.983 -0.272 2.143 1.00 31.51 H new ATOM 0 HG2 LYS A 661 -13.500 2.400 3.482 1.00 42.23 H new ATOM 0 HG3 LYS A 661 -14.758 2.041 2.317 1.00 42.23 H new ATOM 0 HD2 LYS A 661 -15.669 0.317 3.894 1.00 54.31 H new ATOM 0 HD3 LYS A 661 -14.460 0.797 5.068 1.00 54.31 H new ATOM 0 HE2 LYS A 661 -15.307 3.084 5.082 1.00 14.34 H new ATOM 0 HE3 LYS A 661 -16.434 2.712 3.792 1.00 14.34 H new ATOM 0 HZ1 LYS A 661 -17.592 2.693 5.837 1.00 33.45 H new ATOM 0 HZ2 LYS A 661 -17.485 1.083 5.307 1.00 33.45 H new ATOM 0 HZ3 LYS A 661 -16.472 1.636 6.553 1.00 33.45 H new ATOM 1178 N LEU A 662 -11.457 -2.380 3.602 1.00 24.33 N ATOM 1179 CA LEU A 662 -10.824 -3.538 3.060 1.00 31.13 C ATOM 1180 C LEU A 662 -11.835 -4.368 2.358 1.00 63.24 C ATOM 1181 O LEU A 662 -12.948 -4.556 2.836 1.00 4.12 O ATOM 1182 CB LEU A 662 -10.120 -4.374 4.127 1.00 32.34 C ATOM 1183 CG LEU A 662 -8.863 -3.786 4.753 1.00 43.12 C ATOM 1184 CD1 LEU A 662 -8.381 -4.702 5.832 1.00 65.05 C ATOM 1185 CD2 LEU A 662 -7.772 -3.653 3.714 1.00 54.30 C ATOM 0 H LEU A 662 -11.791 -2.491 4.559 1.00 24.33 H new ATOM 0 HA LEU A 662 -10.059 -3.198 2.362 1.00 31.13 H new ATOM 0 HB2 LEU A 662 -10.834 -4.573 4.926 1.00 32.34 H new ATOM 0 HB3 LEU A 662 -9.859 -5.336 3.685 1.00 32.34 H new ATOM 0 HG LEU A 662 -9.098 -2.802 5.160 1.00 43.12 H new ATOM 0 HD11 LEU A 662 -7.481 -4.288 6.286 1.00 65.05 H new ATOM 0 HD12 LEU A 662 -9.155 -4.807 6.592 1.00 65.05 H new ATOM 0 HD13 LEU A 662 -8.156 -5.680 5.406 1.00 65.05 H new ATOM 0 HD21 LEU A 662 -6.879 -3.231 4.176 1.00 54.30 H new ATOM 0 HD22 LEU A 662 -7.539 -4.635 3.304 1.00 54.30 H new ATOM 0 HD23 LEU A 662 -8.111 -2.996 2.913 1.00 54.30 H new ATOM 1193 N SER A 663 -11.468 -4.833 1.238 1.00 4.42 N ATOM 1194 CA SER A 663 -12.305 -5.645 0.444 1.00 31.24 C ATOM 1195 C SER A 663 -11.588 -6.935 0.150 1.00 34.41 C ATOM 1196 O SER A 663 -10.396 -6.938 -0.115 1.00 54.33 O ATOM 1197 CB SER A 663 -12.645 -4.908 -0.845 1.00 41.32 C ATOM 1198 OG SER A 663 -13.238 -3.647 -0.542 1.00 4.14 O ATOM 0 H SER A 663 -10.550 -4.658 0.829 1.00 4.42 H new ATOM 0 HA SER A 663 -13.234 -5.867 0.969 1.00 31.24 H new ATOM 0 HB2 SER A 663 -11.743 -4.762 -1.439 1.00 41.32 H new ATOM 0 HB3 SER A 663 -13.329 -5.506 -1.446 1.00 41.32 H new ATOM 0 HG SER A 663 -13.452 -3.178 -1.375 1.00 4.14 H new ATOM 1204 N TYR A 664 -12.279 -8.007 0.220 1.00 3.23 N ATOM 1205 CA TYR A 664 -11.684 -9.274 -0.053 1.00 4.45 C ATOM 1206 C TYR A 664 -12.335 -9.785 -1.304 1.00 73.31 C ATOM 1207 O TYR A 664 -13.550 -9.730 -1.415 1.00 41.50 O ATOM 1208 CB TYR A 664 -12.001 -10.259 1.079 1.00 40.41 C ATOM 1209 CG TYR A 664 -11.127 -11.494 1.131 1.00 31.23 C ATOM 1210 CD1 TYR A 664 -11.094 -12.393 0.084 1.00 3.54 C ATOM 1211 CD2 TYR A 664 -10.326 -11.744 2.224 1.00 51.51 C ATOM 1212 CE1 TYR A 664 -10.293 -13.503 0.119 1.00 35.52 C ATOM 1213 CE2 TYR A 664 -9.518 -12.858 2.266 1.00 32.42 C ATOM 1214 CZ TYR A 664 -9.504 -13.735 1.211 1.00 70.15 C ATOM 1215 OH TYR A 664 -8.692 -14.861 1.258 1.00 73.33 O ATOM 0 H TYR A 664 -13.268 -8.041 0.466 1.00 3.23 H new ATOM 0 HA TYR A 664 -10.603 -9.177 -0.151 1.00 4.45 H new ATOM 0 HB2 TYR A 664 -11.914 -9.733 2.030 1.00 40.41 H new ATOM 0 HB3 TYR A 664 -13.040 -10.574 0.983 1.00 40.41 H new ATOM 0 HD1 TYR A 664 -11.714 -12.217 -0.783 1.00 3.54 H new ATOM 0 HD2 TYR A 664 -10.332 -11.058 3.058 1.00 51.51 H new ATOM 0 HE1 TYR A 664 -10.285 -14.192 -0.712 1.00 35.52 H new ATOM 0 HE2 TYR A 664 -8.895 -13.041 3.129 1.00 32.42 H new ATOM 0 HH TYR A 664 -8.402 -15.017 2.181 1.00 73.33 H new ATOM 1225 N TYR A 665 -11.553 -10.234 -2.228 1.00 12.32 N ATOM 1226 CA TYR A 665 -12.051 -10.861 -3.418 1.00 1.33 C ATOM 1227 C TYR A 665 -11.368 -12.191 -3.459 1.00 4.50 C ATOM 1228 O TYR A 665 -10.164 -12.219 -3.259 1.00 54.32 O ATOM 1229 CB TYR A 665 -11.692 -10.047 -4.664 1.00 13.11 C ATOM 1230 CG TYR A 665 -12.383 -10.578 -5.882 1.00 61.45 C ATOM 1231 CD1 TYR A 665 -13.703 -10.255 -6.113 1.00 74.54 C ATOM 1232 CD2 TYR A 665 -11.746 -11.429 -6.772 1.00 54.53 C ATOM 1233 CE1 TYR A 665 -14.377 -10.750 -7.193 1.00 55.41 C ATOM 1234 CE2 TYR A 665 -12.418 -11.942 -7.859 1.00 25.31 C ATOM 1235 CZ TYR A 665 -13.737 -11.601 -8.068 1.00 64.33 C ATOM 1236 OH TYR A 665 -14.421 -12.121 -9.157 1.00 70.10 O ATOM 0 H TYR A 665 -10.536 -10.178 -2.182 1.00 12.32 H new ATOM 0 HA TYR A 665 -13.138 -10.944 -3.406 1.00 1.33 H new ATOM 0 HB2 TYR A 665 -11.970 -9.004 -4.512 1.00 13.11 H new ATOM 0 HB3 TYR A 665 -10.613 -10.070 -4.817 1.00 13.11 H new ATOM 0 HD1 TYR A 665 -14.215 -9.597 -5.426 1.00 74.54 H new ATOM 0 HD2 TYR A 665 -10.711 -11.693 -6.611 1.00 54.53 H new ATOM 0 HE1 TYR A 665 -15.408 -10.475 -7.361 1.00 55.41 H new ATOM 0 HE2 TYR A 665 -11.914 -12.608 -8.544 1.00 25.31 H new ATOM 0 HH TYR A 665 -13.823 -12.701 -9.672 1.00 70.10 H new ATOM 1246 N ASP A 666 -12.120 -13.283 -3.685 1.00 72.20 N ATOM 1247 CA ASP A 666 -11.560 -14.670 -3.619 1.00 53.21 C ATOM 1248 C ASP A 666 -10.175 -14.742 -4.234 1.00 62.45 C ATOM 1249 O ASP A 666 -9.992 -14.504 -5.440 1.00 40.33 O ATOM 1250 CB ASP A 666 -12.504 -15.670 -4.328 1.00 54.05 C ATOM 1251 CG ASP A 666 -11.981 -17.103 -4.379 1.00 55.12 C ATOM 1252 OD1 ASP A 666 -11.215 -17.437 -5.294 1.00 5.41 O ATOM 1253 OD2 ASP A 666 -12.368 -17.924 -3.511 1.00 15.01 O ATOM 0 H ASP A 666 -13.113 -13.246 -3.915 1.00 72.20 H new ATOM 0 HA ASP A 666 -11.477 -14.940 -2.566 1.00 53.21 H new ATOM 0 HB2 ASP A 666 -13.467 -15.666 -3.818 1.00 54.05 H new ATOM 0 HB3 ASP A 666 -12.681 -15.324 -5.346 1.00 54.05 H new ATOM 1258 N GLY A 667 -9.217 -15.087 -3.402 1.00 43.20 N ATOM 1259 CA GLY A 667 -7.857 -15.139 -3.815 1.00 60.32 C ATOM 1260 C GLY A 667 -6.975 -14.086 -3.131 1.00 3.10 C ATOM 1261 O GLY A 667 -5.886 -14.409 -2.664 1.00 20.43 O ATOM 0 H GLY A 667 -9.372 -15.336 -2.425 1.00 43.20 H new ATOM 0 HA2 GLY A 667 -7.458 -16.131 -3.603 1.00 60.32 H new ATOM 0 HA3 GLY A 667 -7.807 -14.999 -4.895 1.00 60.32 H new ATOM 1265 N MET A 668 -7.438 -12.830 -3.056 1.00 13.10 N ATOM 1266 CA MET A 668 -6.597 -11.745 -2.502 1.00 71.10 C ATOM 1267 C MET A 668 -7.398 -10.782 -1.629 1.00 52.05 C ATOM 1268 O MET A 668 -8.594 -10.936 -1.432 1.00 54.44 O ATOM 1269 CB MET A 668 -5.906 -10.891 -3.605 1.00 42.33 C ATOM 1270 CG MET A 668 -4.993 -11.622 -4.597 1.00 63.41 C ATOM 1271 SD MET A 668 -5.859 -12.659 -5.812 1.00 22.34 S ATOM 1272 CE MET A 668 -4.460 -13.316 -6.723 1.00 13.42 C ATOM 0 H MET A 668 -8.366 -12.539 -3.362 1.00 13.10 H new ATOM 0 HA MET A 668 -5.844 -12.263 -1.909 1.00 71.10 H new ATOM 0 HB2 MET A 668 -6.684 -10.384 -4.175 1.00 42.33 H new ATOM 0 HB3 MET A 668 -5.317 -10.118 -3.112 1.00 42.33 H new ATOM 0 HG2 MET A 668 -4.396 -10.883 -5.131 1.00 63.41 H new ATOM 0 HG3 MET A 668 -4.299 -12.248 -4.036 1.00 63.41 H new ATOM 0 HE1 MET A 668 -4.818 -13.977 -7.512 1.00 13.42 H new ATOM 0 HE2 MET A 668 -3.896 -12.495 -7.166 1.00 13.42 H new ATOM 0 HE3 MET A 668 -3.815 -13.875 -6.045 1.00 13.42 H new ATOM 1282 N ILE A 669 -6.713 -9.780 -1.123 1.00 42.12 N ATOM 1283 CA ILE A 669 -7.319 -8.735 -0.333 1.00 54.35 C ATOM 1284 C ILE A 669 -6.979 -7.403 -0.991 1.00 43.51 C ATOM 1285 O ILE A 669 -5.872 -7.225 -1.482 1.00 74.34 O ATOM 1286 CB ILE A 669 -6.794 -8.738 1.134 1.00 33.24 C ATOM 1287 CG1 ILE A 669 -7.041 -10.105 1.785 1.00 62.15 C ATOM 1288 CG2 ILE A 669 -7.477 -7.634 1.953 1.00 54.12 C ATOM 1289 CD1 ILE A 669 -6.500 -10.226 3.189 1.00 12.32 C ATOM 0 H ILE A 669 -5.707 -9.668 -1.251 1.00 42.12 H new ATOM 0 HA ILE A 669 -8.396 -8.898 -0.292 1.00 54.35 H new ATOM 0 HB ILE A 669 -5.721 -8.545 1.115 1.00 33.24 H new ATOM 0 HG12 ILE A 669 -8.114 -10.299 1.803 1.00 62.15 H new ATOM 0 HG13 ILE A 669 -6.588 -10.878 1.165 1.00 62.15 H new ATOM 0 HG21 ILE A 669 -7.098 -7.652 2.975 1.00 54.12 H new ATOM 0 HG22 ILE A 669 -7.265 -6.664 1.504 1.00 54.12 H new ATOM 0 HG23 ILE A 669 -8.554 -7.802 1.963 1.00 54.12 H new ATOM 0 HD11 ILE A 669 -6.716 -11.221 3.577 1.00 12.32 H new ATOM 0 HD12 ILE A 669 -5.422 -10.066 3.178 1.00 12.32 H new ATOM 0 HD13 ILE A 669 -6.971 -9.478 3.826 1.00 12.32 H new ATOM 1296 N GLN A 670 -7.925 -6.513 -1.052 1.00 1.50 N ATOM 1297 CA GLN A 670 -7.732 -5.211 -1.645 1.00 0.41 C ATOM 1298 C GLN A 670 -8.201 -4.120 -0.691 1.00 53.11 C ATOM 1299 O GLN A 670 -9.162 -4.303 0.031 1.00 33.14 O ATOM 1300 CB GLN A 670 -8.475 -5.120 -2.991 1.00 13.14 C ATOM 1301 CG GLN A 670 -7.900 -6.035 -4.080 1.00 44.25 C ATOM 1302 CD GLN A 670 -8.731 -6.078 -5.353 1.00 74.14 C ATOM 1303 OE1 GLN A 670 -8.753 -7.087 -6.053 1.00 20.34 O ATOM 1304 NE2 GLN A 670 -9.407 -5.003 -5.665 1.00 2.33 N ATOM 0 H GLN A 670 -8.866 -6.667 -0.689 1.00 1.50 H new ATOM 0 HA GLN A 670 -6.668 -5.065 -1.833 1.00 0.41 H new ATOM 0 HB2 GLN A 670 -9.524 -5.373 -2.834 1.00 13.14 H new ATOM 0 HB3 GLN A 670 -8.445 -4.089 -3.343 1.00 13.14 H new ATOM 0 HG2 GLN A 670 -6.893 -5.700 -4.327 1.00 44.25 H new ATOM 0 HG3 GLN A 670 -7.811 -7.046 -3.682 1.00 44.25 H new ATOM 0 HE21 GLN A 670 -9.367 -4.182 -5.061 1.00 2.33 H new ATOM 0 HE22 GLN A 670 -9.975 -4.986 -6.512 1.00 2.33 H new ATOM 1312 N LEU A 671 -7.520 -3.010 -0.683 1.00 21.31 N ATOM 1313 CA LEU A 671 -7.894 -1.895 0.168 1.00 61.13 C ATOM 1314 C LEU A 671 -8.202 -0.740 -0.748 1.00 12.30 C ATOM 1315 O LEU A 671 -7.398 -0.412 -1.624 1.00 40.52 O ATOM 1316 CB LEU A 671 -6.719 -1.538 1.123 1.00 43.13 C ATOM 1317 CG LEU A 671 -7.016 -0.643 2.367 1.00 1.54 C ATOM 1318 CD1 LEU A 671 -5.758 -0.460 3.191 1.00 73.14 C ATOM 1319 CD2 LEU A 671 -7.595 0.710 2.009 1.00 22.21 C ATOM 0 H LEU A 671 -6.694 -2.844 -1.258 1.00 21.31 H new ATOM 0 HA LEU A 671 -8.757 -2.139 0.788 1.00 61.13 H new ATOM 0 HB2 LEU A 671 -6.288 -2.473 1.482 1.00 43.13 H new ATOM 0 HB3 LEU A 671 -5.951 -1.039 0.532 1.00 43.13 H new ATOM 0 HG LEU A 671 -7.775 -1.167 2.949 1.00 1.54 H new ATOM 0 HD11 LEU A 671 -5.977 0.166 4.056 1.00 73.14 H new ATOM 0 HD12 LEU A 671 -5.399 -1.432 3.528 1.00 73.14 H new ATOM 0 HD13 LEU A 671 -4.991 0.018 2.582 1.00 73.14 H new ATOM 0 HD21 LEU A 671 -7.777 1.280 2.920 1.00 22.21 H new ATOM 0 HD22 LEU A 671 -6.891 1.251 1.377 1.00 22.21 H new ATOM 0 HD23 LEU A 671 -8.534 0.574 1.472 1.00 22.21 H new ATOM 1327 N THR A 672 -9.351 -0.154 -0.577 1.00 72.34 N ATOM 1328 CA THR A 672 -9.789 0.923 -1.421 1.00 21.43 C ATOM 1329 C THR A 672 -9.785 2.246 -0.643 1.00 20.02 C ATOM 1330 O THR A 672 -10.264 2.307 0.483 1.00 74.31 O ATOM 1331 CB THR A 672 -11.220 0.624 -1.912 1.00 53.52 C ATOM 1332 OG1 THR A 672 -11.243 -0.705 -2.462 1.00 54.52 O ATOM 1333 CG2 THR A 672 -11.648 1.612 -2.991 1.00 31.32 C ATOM 0 H THR A 672 -10.015 -0.410 0.154 1.00 72.34 H new ATOM 0 HA THR A 672 -9.111 1.012 -2.269 1.00 21.43 H new ATOM 0 HB THR A 672 -11.908 0.713 -1.071 1.00 53.52 H new ATOM 0 HG1 THR A 672 -12.147 -0.913 -2.778 1.00 54.52 H new ATOM 0 HG21 THR A 672 -12.661 1.377 -3.318 1.00 31.32 H new ATOM 0 HG22 THR A 672 -11.623 2.624 -2.588 1.00 31.32 H new ATOM 0 HG23 THR A 672 -10.967 1.542 -3.839 1.00 31.32 H new ATOM 1339 N TYR A 673 -9.203 3.274 -1.216 1.00 31.20 N ATOM 1340 CA TYR A 673 -9.265 4.589 -0.624 1.00 20.20 C ATOM 1341 C TYR A 673 -10.271 5.482 -1.318 1.00 62.33 C ATOM 1342 O TYR A 673 -10.906 5.078 -2.288 1.00 13.52 O ATOM 1343 CB TYR A 673 -7.893 5.251 -0.478 1.00 2.44 C ATOM 1344 CG TYR A 673 -7.115 4.729 0.706 1.00 55.21 C ATOM 1345 CD1 TYR A 673 -7.441 5.169 1.972 1.00 34.32 C ATOM 1346 CD2 TYR A 673 -6.086 3.803 0.577 1.00 34.11 C ATOM 1347 CE1 TYR A 673 -6.789 4.713 3.082 1.00 43.43 C ATOM 1348 CE2 TYR A 673 -5.412 3.339 1.704 1.00 23.33 C ATOM 1349 CZ TYR A 673 -5.782 3.805 2.955 1.00 33.52 C ATOM 1350 OH TYR A 673 -5.161 3.344 4.086 1.00 51.12 O ATOM 0 H TYR A 673 -8.681 3.225 -2.091 1.00 31.20 H new ATOM 0 HA TYR A 673 -9.627 4.442 0.394 1.00 20.20 H new ATOM 0 HB2 TYR A 673 -7.316 5.085 -1.388 1.00 2.44 H new ATOM 0 HB3 TYR A 673 -8.023 6.328 -0.375 1.00 2.44 H new ATOM 0 HD1 TYR A 673 -8.233 5.894 2.089 1.00 34.32 H new ATOM 0 HD2 TYR A 673 -5.808 3.442 -0.402 1.00 34.11 H new ATOM 0 HE1 TYR A 673 -7.072 5.072 4.060 1.00 43.43 H new ATOM 0 HE2 TYR A 673 -4.609 2.623 1.604 1.00 23.33 H new ATOM 0 HH TYR A 673 -4.334 2.881 3.839 1.00 51.12 H new ATOM 1360 N ARG A 674 -10.430 6.682 -0.801 1.00 15.14 N ATOM 1361 CA ARG A 674 -11.429 7.618 -1.298 1.00 32.34 C ATOM 1362 C ARG A 674 -10.975 8.389 -2.517 1.00 43.12 C ATOM 1363 O ARG A 674 -9.839 8.262 -2.948 1.00 74.21 O ATOM 1364 CB ARG A 674 -11.879 8.576 -0.201 1.00 11.35 C ATOM 1365 CG ARG A 674 -12.586 7.898 0.959 1.00 42.21 C ATOM 1366 CD ARG A 674 -13.814 7.150 0.475 1.00 35.50 C ATOM 1367 NE ARG A 674 -14.526 6.491 1.549 1.00 61.43 N ATOM 1368 CZ ARG A 674 -15.461 5.561 1.370 1.00 65.44 C ATOM 1369 NH1 ARG A 674 -15.719 5.082 0.153 1.00 23.11 N ATOM 1370 NH2 ARG A 674 -16.112 5.088 2.408 1.00 65.25 N ATOM 0 H ARG A 674 -9.873 7.040 -0.025 1.00 15.14 H new ATOM 0 HA ARG A 674 -12.277 7.009 -1.611 1.00 32.34 H new ATOM 0 HB2 ARG A 674 -11.009 9.111 0.180 1.00 11.35 H new ATOM 0 HB3 ARG A 674 -12.546 9.321 -0.635 1.00 11.35 H new ATOM 0 HG2 ARG A 674 -11.904 7.206 1.453 1.00 42.21 H new ATOM 0 HG3 ARG A 674 -12.876 8.643 1.700 1.00 42.21 H new ATOM 0 HD2 ARG A 674 -14.485 7.848 -0.026 1.00 35.50 H new ATOM 0 HD3 ARG A 674 -13.514 6.408 -0.265 1.00 35.50 H new ATOM 0 HE ARG A 674 -14.296 6.757 2.506 1.00 61.43 H new ATOM 0 HH11 ARG A 674 -15.198 5.428 -0.652 1.00 23.11 H new ATOM 0 HH12 ARG A 674 -16.438 4.369 0.027 1.00 23.11 H new ATOM 0 HH21 ARG A 674 -15.900 5.434 3.344 1.00 65.25 H new ATOM 0 HH22 ARG A 674 -16.830 4.375 2.278 1.00 65.25 H new ATOM 1382 N ASP A 675 -11.892 9.220 -3.018 1.00 24.04 N ATOM 1383 CA ASP A 675 -11.730 10.051 -4.228 1.00 72.23 C ATOM 1384 C ASP A 675 -10.459 10.888 -4.175 1.00 13.22 C ATOM 1385 O ASP A 675 -9.804 11.127 -5.193 1.00 42.22 O ATOM 1386 CB ASP A 675 -12.969 10.974 -4.387 1.00 63.31 C ATOM 1387 CG ASP A 675 -13.140 12.003 -3.283 1.00 53.12 C ATOM 1388 OD1 ASP A 675 -13.463 11.620 -2.130 1.00 22.31 O ATOM 1389 OD2 ASP A 675 -12.989 13.212 -3.560 1.00 3.12 O ATOM 0 H ASP A 675 -12.805 9.342 -2.580 1.00 24.04 H new ATOM 0 HA ASP A 675 -11.647 9.386 -5.088 1.00 72.23 H new ATOM 0 HB2 ASP A 675 -12.897 11.494 -5.342 1.00 63.31 H new ATOM 0 HB3 ASP A 675 -13.864 10.354 -4.429 1.00 63.31 H new ATOM 1394 N GLY A 676 -10.159 11.334 -2.994 1.00 23.04 N ATOM 1395 CA GLY A 676 -8.938 12.051 -2.705 1.00 11.12 C ATOM 1396 C GLY A 676 -8.848 13.377 -3.415 1.00 10.03 C ATOM 1397 O GLY A 676 -9.448 14.354 -2.989 1.00 42.22 O ATOM 0 H GLY A 676 -10.764 11.211 -2.182 1.00 23.04 H new ATOM 0 HA2 GLY A 676 -8.867 12.216 -1.630 1.00 11.12 H new ATOM 0 HA3 GLY A 676 -8.086 11.434 -2.990 1.00 11.12 H new ATOM 1401 N THR A 677 -8.068 13.418 -4.445 1.00 61.22 N ATOM 1402 CA THR A 677 -7.947 14.569 -5.274 1.00 11.41 C ATOM 1403 C THR A 677 -7.969 14.142 -6.738 1.00 64.33 C ATOM 1404 O THR A 677 -7.065 13.452 -7.188 1.00 54.43 O ATOM 1405 CB THR A 677 -6.668 15.369 -4.960 1.00 3.23 C ATOM 1406 OG1 THR A 677 -6.778 15.946 -3.650 1.00 62.31 O ATOM 1407 CG2 THR A 677 -6.432 16.469 -5.983 1.00 13.12 C ATOM 0 H THR A 677 -7.485 12.634 -4.739 1.00 61.22 H new ATOM 0 HA THR A 677 -8.792 15.227 -5.073 1.00 11.41 H new ATOM 0 HB THR A 677 -5.820 14.685 -5.001 1.00 3.23 H new ATOM 0 HG1 THR A 677 -5.965 16.454 -3.447 1.00 62.31 H new ATOM 0 HG21 THR A 677 -5.522 17.012 -5.730 1.00 13.12 H new ATOM 0 HG22 THR A 677 -6.327 16.028 -6.974 1.00 13.12 H new ATOM 0 HG23 THR A 677 -7.278 17.157 -5.979 1.00 13.12 H new ATOM 1413 N PRO A 678 -9.003 14.531 -7.493 1.00 0.43 N ATOM 1414 CA PRO A 678 -9.164 14.140 -8.884 1.00 4.52 C ATOM 1415 C PRO A 678 -8.177 14.815 -9.821 1.00 20.44 C ATOM 1416 O PRO A 678 -7.620 15.893 -9.506 1.00 70.52 O ATOM 1417 CB PRO A 678 -10.587 14.554 -9.227 1.00 74.24 C ATOM 1418 CG PRO A 678 -10.840 15.707 -8.353 1.00 42.14 C ATOM 1419 CD PRO A 678 -10.114 15.407 -7.057 1.00 40.24 C ATOM 0 HA PRO A 678 -8.975 13.074 -9.008 1.00 4.52 H new ATOM 0 HB2 PRO A 678 -10.682 14.822 -10.279 1.00 74.24 H new ATOM 0 HB3 PRO A 678 -11.295 13.747 -9.038 1.00 74.24 H new ATOM 0 HG2 PRO A 678 -10.471 16.628 -8.804 1.00 42.14 H new ATOM 0 HG3 PRO A 678 -11.908 15.841 -8.181 1.00 42.14 H new ATOM 0 HD2 PRO A 678 -9.748 16.316 -6.580 1.00 40.24 H new ATOM 0 HD3 PRO A 678 -10.763 14.908 -6.337 1.00 40.24 H new ATOM 1427 N TYR A 679 -7.935 14.149 -10.940 1.00 42.14 N ATOM 1428 CA TYR A 679 -7.058 14.637 -12.012 1.00 3.44 C ATOM 1429 C TYR A 679 -7.471 16.046 -12.486 1.00 14.31 C ATOM 1430 O TYR A 679 -8.519 16.590 -12.108 1.00 61.23 O ATOM 1431 CB TYR A 679 -7.153 13.735 -13.255 1.00 24.35 C ATOM 1432 CG TYR A 679 -6.728 12.291 -13.139 1.00 51.42 C ATOM 1433 CD1 TYR A 679 -7.500 11.360 -12.472 1.00 73.35 C ATOM 1434 CD2 TYR A 679 -5.577 11.854 -13.766 1.00 43.03 C ATOM 1435 CE1 TYR A 679 -7.138 10.038 -12.429 1.00 32.21 C ATOM 1436 CE2 TYR A 679 -5.202 10.536 -13.720 1.00 72.12 C ATOM 1437 CZ TYR A 679 -5.985 9.631 -13.054 1.00 31.31 C ATOM 1438 OH TYR A 679 -5.630 8.310 -13.031 1.00 55.42 O ATOM 0 H TYR A 679 -8.346 13.237 -11.139 1.00 42.14 H new ATOM 0 HA TYR A 679 -6.051 14.643 -11.594 1.00 3.44 H new ATOM 0 HB2 TYR A 679 -8.189 13.748 -13.594 1.00 24.35 H new ATOM 0 HB3 TYR A 679 -6.554 14.193 -14.042 1.00 24.35 H new ATOM 0 HD1 TYR A 679 -8.405 11.679 -11.976 1.00 73.35 H new ATOM 0 HD2 TYR A 679 -4.962 12.563 -14.301 1.00 43.03 H new ATOM 0 HE1 TYR A 679 -7.755 9.322 -11.907 1.00 32.21 H new ATOM 0 HE2 TYR A 679 -4.294 10.213 -14.207 1.00 72.12 H new ATOM 0 HH TYR A 679 -4.758 8.198 -13.464 1.00 55.42 H new ATOM 1533 N THR A 685 -11.668 13.143 -12.558 1.00 34.42 N ATOM 1534 CA THR A 685 -11.761 11.786 -12.146 1.00 44.15 C ATOM 1535 C THR A 685 -11.030 11.618 -10.835 1.00 5.04 C ATOM 1536 O THR A 685 -9.856 11.982 -10.748 1.00 74.52 O ATOM 1537 CB THR A 685 -11.103 10.879 -13.196 1.00 73.43 C ATOM 1538 OG1 THR A 685 -11.741 11.056 -14.473 1.00 72.33 O ATOM 1539 CG2 THR A 685 -11.192 9.436 -12.772 1.00 3.03 C ATOM 0 HA THR A 685 -12.811 11.515 -12.033 1.00 44.15 H new ATOM 0 HB THR A 685 -10.052 11.154 -13.283 1.00 73.43 H new ATOM 0 HG1 THR A 685 -11.925 12.008 -14.618 1.00 72.33 H new ATOM 0 HG21 THR A 685 -10.721 8.805 -13.526 1.00 3.03 H new ATOM 0 HG22 THR A 685 -10.680 9.305 -11.819 1.00 3.03 H new ATOM 0 HG23 THR A 685 -12.239 9.152 -12.664 1.00 3.03 H new ATOM 1545 N PRO A 686 -11.695 11.088 -9.796 1.00 15.30 N ATOM 1546 CA PRO A 686 -11.068 10.887 -8.498 1.00 32.51 C ATOM 1547 C PRO A 686 -9.856 9.981 -8.606 1.00 63.21 C ATOM 1548 O PRO A 686 -9.899 8.925 -9.244 1.00 72.34 O ATOM 1549 CB PRO A 686 -12.161 10.236 -7.651 1.00 1.42 C ATOM 1550 CG PRO A 686 -13.143 9.700 -8.636 1.00 12.10 C ATOM 1551 CD PRO A 686 -13.096 10.634 -9.802 1.00 45.54 C ATOM 0 HA PRO A 686 -10.702 11.819 -8.067 1.00 32.51 H new ATOM 0 HB2 PRO A 686 -11.755 9.441 -7.026 1.00 1.42 H new ATOM 0 HB3 PRO A 686 -12.627 10.960 -6.983 1.00 1.42 H new ATOM 0 HG2 PRO A 686 -12.882 8.685 -8.936 1.00 12.10 H new ATOM 0 HG3 PRO A 686 -14.144 9.658 -8.208 1.00 12.10 H new ATOM 0 HD2 PRO A 686 -13.355 10.132 -10.734 1.00 45.54 H new ATOM 0 HD3 PRO A 686 -13.792 11.465 -9.684 1.00 45.54 H new ATOM 1559 N ARG A 687 -8.797 10.409 -8.019 1.00 54.15 N ATOM 1560 CA ARG A 687 -7.563 9.701 -8.054 1.00 12.24 C ATOM 1561 C ARG A 687 -7.423 8.964 -6.724 1.00 1.01 C ATOM 1562 O ARG A 687 -7.254 9.588 -5.678 1.00 73.42 O ATOM 1563 CB ARG A 687 -6.449 10.715 -8.257 1.00 4.32 C ATOM 1564 CG ARG A 687 -5.073 10.149 -8.390 1.00 23.15 C ATOM 1565 CD ARG A 687 -4.034 11.267 -8.465 1.00 63.14 C ATOM 1566 NE ARG A 687 -4.140 12.109 -9.679 1.00 62.43 N ATOM 1567 CZ ARG A 687 -4.260 13.447 -9.668 1.00 52.05 C ATOM 1568 NH1 ARG A 687 -4.632 14.074 -8.561 1.00 5.44 N ATOM 1569 NH2 ARG A 687 -4.075 14.148 -10.783 1.00 31.44 N ATOM 0 H ARG A 687 -8.760 11.280 -7.489 1.00 54.15 H new ATOM 0 HA ARG A 687 -7.518 8.975 -8.866 1.00 12.24 H new ATOM 0 HB2 ARG A 687 -6.671 11.296 -9.152 1.00 4.32 H new ATOM 0 HB3 ARG A 687 -6.457 11.409 -7.416 1.00 4.32 H new ATOM 0 HG2 ARG A 687 -4.857 9.502 -7.540 1.00 23.15 H new ATOM 0 HG3 ARG A 687 -5.014 9.530 -9.285 1.00 23.15 H new ATOM 0 HD2 ARG A 687 -4.135 11.902 -7.585 1.00 63.14 H new ATOM 0 HD3 ARG A 687 -3.038 10.826 -8.427 1.00 63.14 H new ATOM 0 HE ARG A 687 -4.121 11.641 -10.585 1.00 62.43 H new ATOM 0 HH11 ARG A 687 -4.828 13.540 -7.714 1.00 5.44 H new ATOM 0 HH12 ARG A 687 -4.722 15.090 -8.556 1.00 5.44 H new ATOM 0 HH21 ARG A 687 -3.841 13.670 -11.653 1.00 31.44 H new ATOM 0 HH22 ARG A 687 -4.168 15.164 -10.768 1.00 31.44 H new ATOM 1581 N ALA A 688 -7.493 7.654 -6.772 1.00 41.03 N ATOM 1582 CA ALA A 688 -7.555 6.855 -5.561 1.00 24.13 C ATOM 1583 C ALA A 688 -6.511 5.763 -5.564 1.00 60.32 C ATOM 1584 O ALA A 688 -5.870 5.515 -6.583 1.00 52.42 O ATOM 1585 CB ALA A 688 -8.947 6.252 -5.406 1.00 40.51 C ATOM 0 H ALA A 688 -7.509 7.114 -7.637 1.00 41.03 H new ATOM 0 HA ALA A 688 -7.349 7.510 -4.714 1.00 24.13 H new ATOM 0 HB1 ALA A 688 -8.985 5.654 -4.495 1.00 40.51 H new ATOM 0 HB2 ALA A 688 -9.685 7.052 -5.346 1.00 40.51 H new ATOM 0 HB3 ALA A 688 -9.167 5.619 -6.265 1.00 40.51 H new ATOM 1591 N THR A 689 -6.315 5.147 -4.418 1.00 51.51 N ATOM 1592 CA THR A 689 -5.355 4.075 -4.257 1.00 60.53 C ATOM 1593 C THR A 689 -6.072 2.756 -3.951 1.00 32.53 C ATOM 1594 O THR A 689 -7.012 2.717 -3.138 1.00 15.02 O ATOM 1595 CB THR A 689 -4.396 4.399 -3.097 1.00 12.24 C ATOM 1596 OG1 THR A 689 -3.802 5.659 -3.336 1.00 51.05 O ATOM 1597 CG2 THR A 689 -3.303 3.347 -2.965 1.00 63.40 C ATOM 0 H THR A 689 -6.822 5.378 -3.564 1.00 51.51 H new ATOM 0 HA THR A 689 -4.794 3.976 -5.186 1.00 60.53 H new ATOM 0 HB THR A 689 -4.968 4.410 -2.169 1.00 12.24 H new ATOM 0 HG1 THR A 689 -2.908 5.681 -2.935 1.00 51.05 H new ATOM 0 HG21 THR A 689 -2.645 3.608 -2.136 1.00 63.40 H new ATOM 0 HG22 THR A 689 -3.756 2.374 -2.776 1.00 63.40 H new ATOM 0 HG23 THR A 689 -2.725 3.305 -3.888 1.00 63.40 H new ATOM 1603 N LEU A 690 -5.650 1.704 -4.614 1.00 74.52 N ATOM 1604 CA LEU A 690 -6.161 0.390 -4.398 1.00 73.14 C ATOM 1605 C LEU A 690 -4.958 -0.509 -4.122 1.00 63.53 C ATOM 1606 O LEU A 690 -4.106 -0.706 -4.981 1.00 61.23 O ATOM 1607 CB LEU A 690 -6.944 -0.079 -5.659 1.00 31.43 C ATOM 1608 CG LEU A 690 -7.794 -1.381 -5.584 1.00 61.20 C ATOM 1609 CD1 LEU A 690 -6.964 -2.617 -5.333 1.00 11.23 C ATOM 1610 CD2 LEU A 690 -8.882 -1.250 -4.543 1.00 11.42 C ATOM 0 H LEU A 690 -4.926 1.750 -5.331 1.00 74.52 H new ATOM 0 HA LEU A 690 -6.854 0.356 -3.557 1.00 73.14 H new ATOM 0 HB2 LEU A 690 -7.611 0.732 -5.952 1.00 31.43 H new ATOM 0 HB3 LEU A 690 -6.222 -0.205 -6.466 1.00 31.43 H new ATOM 0 HG LEU A 690 -8.251 -1.508 -6.565 1.00 61.20 H new ATOM 0 HD11 LEU A 690 -7.615 -3.490 -5.292 1.00 11.23 H new ATOM 0 HD12 LEU A 690 -6.242 -2.741 -6.140 1.00 11.23 H new ATOM 0 HD13 LEU A 690 -6.435 -2.514 -4.386 1.00 11.23 H new ATOM 0 HD21 LEU A 690 -9.464 -2.171 -4.507 1.00 11.42 H new ATOM 0 HD22 LEU A 690 -8.432 -1.067 -3.567 1.00 11.42 H new ATOM 0 HD23 LEU A 690 -9.536 -0.417 -4.803 1.00 11.42 H new ATOM 1618 N ILE A 691 -4.884 -1.042 -2.951 1.00 75.11 N ATOM 1619 CA ILE A 691 -3.765 -1.885 -2.600 1.00 14.52 C ATOM 1620 C ILE A 691 -4.215 -3.330 -2.689 1.00 13.24 C ATOM 1621 O ILE A 691 -5.253 -3.676 -2.160 1.00 62.14 O ATOM 1622 CB ILE A 691 -3.266 -1.580 -1.163 1.00 3.33 C ATOM 1623 CG1 ILE A 691 -2.935 -0.084 -1.027 1.00 64.20 C ATOM 1624 CG2 ILE A 691 -2.029 -2.423 -0.847 1.00 73.02 C ATOM 1625 CD1 ILE A 691 -2.523 0.339 0.372 1.00 70.55 C ATOM 0 H ILE A 691 -5.577 -0.917 -2.213 1.00 75.11 H new ATOM 0 HA ILE A 691 -2.940 -1.695 -3.287 1.00 14.52 H new ATOM 0 HB ILE A 691 -4.054 -1.833 -0.454 1.00 3.33 H new ATOM 0 HG12 ILE A 691 -2.131 0.163 -1.720 1.00 64.20 H new ATOM 0 HG13 ILE A 691 -3.806 0.498 -1.328 1.00 64.20 H new ATOM 0 HG21 ILE A 691 -1.686 -2.202 0.164 1.00 73.02 H new ATOM 0 HG22 ILE A 691 -2.281 -3.481 -0.921 1.00 73.02 H new ATOM 0 HG23 ILE A 691 -1.237 -2.188 -1.558 1.00 73.02 H new ATOM 0 HD11 ILE A 691 -2.307 1.407 0.380 1.00 70.55 H new ATOM 0 HD12 ILE A 691 -3.333 0.127 1.070 1.00 70.55 H new ATOM 0 HD13 ILE A 691 -1.632 -0.213 0.672 1.00 70.55 H new ATOM 1632 N THR A 692 -3.467 -4.143 -3.388 1.00 13.22 N ATOM 1633 CA THR A 692 -3.800 -5.517 -3.572 1.00 55.41 C ATOM 1634 C THR A 692 -2.748 -6.380 -2.877 1.00 2.33 C ATOM 1635 O THR A 692 -1.559 -6.328 -3.198 1.00 72.22 O ATOM 1636 CB THR A 692 -3.838 -5.827 -5.060 1.00 54.31 C ATOM 1637 OG1 THR A 692 -4.674 -4.837 -5.700 1.00 71.43 O ATOM 1638 CG2 THR A 692 -4.417 -7.207 -5.323 1.00 13.51 C ATOM 0 H THR A 692 -2.602 -3.859 -3.847 1.00 13.22 H new ATOM 0 HA THR A 692 -4.779 -5.730 -3.141 1.00 55.41 H new ATOM 0 HB THR A 692 -2.822 -5.806 -5.454 1.00 54.31 H new ATOM 0 HG1 THR A 692 -4.713 -5.015 -6.663 1.00 71.43 H new ATOM 0 HG21 THR A 692 -4.430 -7.398 -6.396 1.00 13.51 H new ATOM 0 HG22 THR A 692 -3.803 -7.960 -4.828 1.00 13.51 H new ATOM 0 HG23 THR A 692 -5.434 -7.255 -4.933 1.00 13.51 H new ATOM 1644 N PHE A 693 -3.194 -7.131 -1.936 1.00 22.12 N ATOM 1645 CA PHE A 693 -2.356 -7.943 -1.099 1.00 31.55 C ATOM 1646 C PHE A 693 -2.317 -9.351 -1.635 1.00 4.33 C ATOM 1647 O PHE A 693 -3.363 -9.929 -1.936 1.00 60.43 O ATOM 1648 CB PHE A 693 -2.950 -7.955 0.288 1.00 35.43 C ATOM 1649 CG PHE A 693 -3.077 -6.578 0.930 1.00 54.42 C ATOM 1650 CD1 PHE A 693 -4.092 -5.710 0.557 1.00 33.35 C ATOM 1651 CD2 PHE A 693 -2.202 -6.173 1.915 1.00 64.22 C ATOM 1652 CE1 PHE A 693 -4.223 -4.485 1.148 1.00 70.45 C ATOM 1653 CE2 PHE A 693 -2.327 -4.940 2.507 1.00 4.30 C ATOM 1654 CZ PHE A 693 -3.340 -4.098 2.124 1.00 53.01 C ATOM 0 H PHE A 693 -4.186 -7.207 -1.712 1.00 22.12 H new ATOM 0 HA PHE A 693 -1.343 -7.542 -1.078 1.00 31.55 H new ATOM 0 HB2 PHE A 693 -3.938 -8.414 0.243 1.00 35.43 H new ATOM 0 HB3 PHE A 693 -2.334 -8.586 0.929 1.00 35.43 H new ATOM 0 HD1 PHE A 693 -4.790 -6.007 -0.212 1.00 33.35 H new ATOM 0 HD2 PHE A 693 -1.407 -6.835 2.226 1.00 64.22 H new ATOM 0 HE1 PHE A 693 -5.021 -3.822 0.847 1.00 70.45 H new ATOM 0 HE2 PHE A 693 -1.629 -4.634 3.272 1.00 4.30 H new ATOM 0 HZ PHE A 693 -3.442 -3.130 2.591 1.00 53.01 H new ATOM 1664 N LEU A 694 -1.136 -9.905 -1.748 1.00 21.35 N ATOM 1665 CA LEU A 694 -0.974 -11.223 -2.318 1.00 22.43 C ATOM 1666 C LEU A 694 -0.291 -12.149 -1.335 1.00 45.42 C ATOM 1667 O LEU A 694 0.348 -11.704 -0.368 1.00 51.44 O ATOM 1668 CB LEU A 694 -0.087 -11.147 -3.567 1.00 13.24 C ATOM 1669 CG LEU A 694 -0.464 -10.118 -4.623 1.00 34.22 C ATOM 1670 CD1 LEU A 694 0.518 -10.154 -5.766 1.00 21.22 C ATOM 1671 CD2 LEU A 694 -1.876 -10.314 -5.134 1.00 71.15 C ATOM 0 H LEU A 694 -0.266 -9.462 -1.451 1.00 21.35 H new ATOM 0 HA LEU A 694 -1.966 -11.601 -2.566 1.00 22.43 H new ATOM 0 HB2 LEU A 694 0.934 -10.943 -3.245 1.00 13.24 H new ATOM 0 HB3 LEU A 694 -0.082 -12.130 -4.039 1.00 13.24 H new ATOM 0 HG LEU A 694 -0.425 -9.138 -4.148 1.00 34.22 H new ATOM 0 HD11 LEU A 694 0.234 -9.412 -6.513 1.00 21.22 H new ATOM 0 HD12 LEU A 694 1.518 -9.930 -5.394 1.00 21.22 H new ATOM 0 HD13 LEU A 694 0.513 -11.145 -6.219 1.00 21.22 H new ATOM 0 HD21 LEU A 694 -2.099 -9.557 -5.885 1.00 71.15 H new ATOM 0 HD22 LEU A 694 -1.968 -11.305 -5.579 1.00 71.15 H new ATOM 0 HD23 LEU A 694 -2.579 -10.222 -4.306 1.00 71.15 H new ATOM 1679 N CYS A 695 -0.414 -13.419 -1.598 1.00 62.33 N ATOM 1680 CA CYS A 695 0.294 -14.449 -0.863 1.00 54.04 C ATOM 1681 C CYS A 695 1.437 -14.896 -1.729 1.00 13.04 C ATOM 1682 O CYS A 695 1.307 -15.852 -2.517 1.00 43.10 O ATOM 1683 CB CYS A 695 -0.608 -15.658 -0.505 1.00 61.41 C ATOM 1684 SG CYS A 695 0.283 -17.055 0.323 1.00 12.02 S ATOM 0 H CYS A 695 -1.015 -13.781 -2.338 1.00 62.33 H new ATOM 0 HA CYS A 695 0.638 -14.040 0.087 1.00 54.04 H new ATOM 0 HB2 CYS A 695 -1.411 -15.316 0.148 1.00 61.41 H new ATOM 0 HB3 CYS A 695 -1.075 -16.030 -1.417 1.00 61.41 H new ATOM 1745 N GLY A 700 6.042 -11.946 5.640 1.00 54.21 N ATOM 1746 CA GLY A 700 6.225 -11.088 6.754 1.00 53.12 C ATOM 1747 C GLY A 700 5.328 -9.922 6.583 1.00 0.44 C ATOM 1748 O GLY A 700 4.265 -10.062 5.952 1.00 21.31 O ATOM 0 HA2 GLY A 700 5.996 -11.613 7.681 1.00 53.12 H new ATOM 0 HA3 GLY A 700 7.264 -10.764 6.819 1.00 53.12 H new ATOM 1752 N VAL A 701 5.734 -8.775 7.082 1.00 32.25 N ATOM 1753 CA VAL A 701 4.939 -7.571 6.943 1.00 23.13 C ATOM 1754 C VAL A 701 4.755 -7.239 5.453 1.00 74.01 C ATOM 1755 O VAL A 701 3.643 -6.990 4.987 1.00 13.01 O ATOM 1756 CB VAL A 701 5.569 -6.364 7.726 1.00 13.33 C ATOM 1757 CG1 VAL A 701 6.935 -5.930 7.185 1.00 32.32 C ATOM 1758 CG2 VAL A 701 4.613 -5.195 7.814 1.00 71.15 C ATOM 0 H VAL A 701 6.610 -8.649 7.588 1.00 32.25 H new ATOM 0 HA VAL A 701 3.959 -7.752 7.385 1.00 23.13 H new ATOM 0 HB VAL A 701 5.749 -6.730 8.737 1.00 13.33 H new ATOM 0 HG11 VAL A 701 7.310 -5.092 7.773 1.00 32.32 H new ATOM 0 HG12 VAL A 701 7.635 -6.763 7.253 1.00 32.32 H new ATOM 0 HG13 VAL A 701 6.834 -5.625 6.143 1.00 32.32 H new ATOM 0 HG21 VAL A 701 5.085 -4.380 8.363 1.00 71.15 H new ATOM 0 HG22 VAL A 701 4.358 -4.857 6.810 1.00 71.15 H new ATOM 0 HG23 VAL A 701 3.706 -5.505 8.333 1.00 71.15 H new ATOM 1764 N GLY A 702 5.829 -7.334 4.711 1.00 2.32 N ATOM 1765 CA GLY A 702 5.782 -7.055 3.326 1.00 21.21 C ATOM 1766 C GLY A 702 5.821 -5.585 3.015 1.00 0.33 C ATOM 1767 O GLY A 702 5.285 -4.759 3.749 1.00 15.53 O ATOM 0 H GLY A 702 6.748 -7.606 5.061 1.00 2.32 H new ATOM 0 HA2 GLY A 702 6.622 -7.546 2.835 1.00 21.21 H new ATOM 0 HA3 GLY A 702 4.872 -7.484 2.906 1.00 21.21 H new ATOM 1771 N PHE A 703 6.478 -5.277 1.965 1.00 14.53 N ATOM 1772 CA PHE A 703 6.564 -3.930 1.465 1.00 15.01 C ATOM 1773 C PHE A 703 5.815 -3.841 0.131 1.00 74.41 C ATOM 1774 O PHE A 703 5.891 -4.765 -0.696 1.00 11.01 O ATOM 1775 CB PHE A 703 8.035 -3.522 1.307 1.00 3.23 C ATOM 1776 CG PHE A 703 8.808 -3.606 2.601 1.00 35.23 C ATOM 1777 CD1 PHE A 703 8.839 -2.540 3.475 1.00 52.40 C ATOM 1778 CD2 PHE A 703 9.489 -4.763 2.944 1.00 51.20 C ATOM 1779 CE1 PHE A 703 9.537 -2.619 4.664 1.00 10.10 C ATOM 1780 CE2 PHE A 703 10.187 -4.850 4.129 1.00 54.32 C ATOM 1781 CZ PHE A 703 10.209 -3.777 4.990 1.00 30.05 C ATOM 0 H PHE A 703 6.989 -5.958 1.404 1.00 14.53 H new ATOM 0 HA PHE A 703 6.102 -3.240 2.171 1.00 15.01 H new ATOM 0 HB2 PHE A 703 8.508 -4.165 0.564 1.00 3.23 H new ATOM 0 HB3 PHE A 703 8.085 -2.503 0.925 1.00 3.23 H new ATOM 0 HD1 PHE A 703 8.311 -1.631 3.227 1.00 52.40 H new ATOM 0 HD2 PHE A 703 9.473 -5.609 2.273 1.00 51.20 H new ATOM 0 HE1 PHE A 703 9.556 -1.775 5.337 1.00 10.10 H new ATOM 0 HE2 PHE A 703 10.715 -5.758 4.381 1.00 54.32 H new ATOM 0 HZ PHE A 703 10.753 -3.842 5.921 1.00 30.05 H new ATOM 1791 N PRO A 704 5.068 -2.754 -0.094 1.00 21.03 N ATOM 1792 CA PRO A 704 4.262 -2.591 -1.299 1.00 54.40 C ATOM 1793 C PRO A 704 5.075 -2.277 -2.564 1.00 71.52 C ATOM 1794 O PRO A 704 6.100 -1.588 -2.524 1.00 62.44 O ATOM 1795 CB PRO A 704 3.345 -1.418 -0.960 1.00 25.41 C ATOM 1796 CG PRO A 704 4.106 -0.622 0.043 1.00 41.33 C ATOM 1797 CD PRO A 704 4.940 -1.604 0.817 1.00 53.33 C ATOM 0 HA PRO A 704 3.743 -3.519 -1.541 1.00 54.40 H new ATOM 0 HB2 PRO A 704 3.116 -0.825 -1.846 1.00 25.41 H new ATOM 0 HB3 PRO A 704 2.394 -1.763 -0.553 1.00 25.41 H new ATOM 0 HG2 PRO A 704 4.735 0.121 -0.447 1.00 41.33 H new ATOM 0 HG3 PRO A 704 3.429 -0.081 0.704 1.00 41.33 H new ATOM 0 HD2 PRO A 704 5.914 -1.187 1.073 1.00 53.33 H new ATOM 0 HD3 PRO A 704 4.458 -1.887 1.753 1.00 53.33 H new ATOM 1805 N GLU A 705 4.599 -2.799 -3.659 1.00 3.20 N ATOM 1806 CA GLU A 705 5.144 -2.571 -4.976 1.00 33.33 C ATOM 1807 C GLU A 705 4.173 -1.738 -5.724 1.00 73.10 C ATOM 1808 O GLU A 705 2.975 -1.951 -5.618 1.00 61.03 O ATOM 1809 CB GLU A 705 5.289 -3.899 -5.735 1.00 41.33 C ATOM 1810 CG GLU A 705 6.361 -4.825 -5.215 1.00 50.34 C ATOM 1811 CD GLU A 705 7.765 -4.285 -5.381 1.00 52.01 C ATOM 1812 OE1 GLU A 705 8.342 -4.436 -6.476 1.00 73.31 O ATOM 1813 OE2 GLU A 705 8.322 -3.717 -4.416 1.00 54.54 O ATOM 0 H GLU A 705 3.790 -3.420 -3.663 1.00 3.20 H new ATOM 0 HA GLU A 705 6.119 -2.093 -4.886 1.00 33.33 H new ATOM 0 HB2 GLU A 705 4.333 -4.422 -5.704 1.00 41.33 H new ATOM 0 HB3 GLU A 705 5.498 -3.679 -6.782 1.00 41.33 H new ATOM 0 HG2 GLU A 705 6.179 -5.020 -4.158 1.00 50.34 H new ATOM 0 HG3 GLU A 705 6.285 -5.781 -5.733 1.00 50.34 H new ATOM 1820 N TYR A 706 4.643 -0.815 -6.464 1.00 3.34 N ATOM 1821 CA TYR A 706 3.752 -0.043 -7.282 1.00 41.20 C ATOM 1822 C TYR A 706 3.456 -0.829 -8.521 1.00 33.41 C ATOM 1823 O TYR A 706 4.351 -1.102 -9.309 1.00 1.35 O ATOM 1824 CB TYR A 706 4.298 1.348 -7.596 1.00 44.12 C ATOM 1825 CG TYR A 706 3.479 2.097 -8.602 1.00 33.13 C ATOM 1826 CD1 TYR A 706 2.157 2.409 -8.354 1.00 13.21 C ATOM 1827 CD2 TYR A 706 4.035 2.492 -9.808 1.00 15.11 C ATOM 1828 CE1 TYR A 706 1.411 3.088 -9.272 1.00 64.24 C ATOM 1829 CE2 TYR A 706 3.297 3.176 -10.733 1.00 72.44 C ATOM 1830 CZ TYR A 706 1.988 3.475 -10.465 1.00 13.12 C ATOM 1831 OH TYR A 706 1.252 4.154 -11.397 1.00 51.13 O ATOM 0 H TYR A 706 5.629 -0.564 -6.532 1.00 3.34 H new ATOM 0 HA TYR A 706 2.828 0.137 -6.733 1.00 41.20 H new ATOM 0 HB2 TYR A 706 4.346 1.928 -6.674 1.00 44.12 H new ATOM 0 HB3 TYR A 706 5.319 1.254 -7.967 1.00 44.12 H new ATOM 0 HD1 TYR A 706 1.707 2.111 -7.419 1.00 13.21 H new ATOM 0 HD2 TYR A 706 5.067 2.256 -10.020 1.00 15.11 H new ATOM 0 HE1 TYR A 706 0.377 3.321 -9.067 1.00 64.24 H new ATOM 0 HE2 TYR A 706 3.743 3.479 -11.669 1.00 72.44 H new ATOM 0 HH TYR A 706 1.812 4.350 -12.177 1.00 51.13 H new ATOM 1841 N GLN A 707 2.215 -1.226 -8.674 1.00 11.34 N ATOM 1842 CA GLN A 707 1.826 -2.050 -9.737 1.00 24.32 C ATOM 1843 C GLN A 707 1.758 -1.243 -11.029 1.00 20.22 C ATOM 1844 O GLN A 707 2.652 -1.335 -11.866 1.00 61.23 O ATOM 1845 CB GLN A 707 0.482 -2.642 -9.400 1.00 55.41 C ATOM 1846 CG GLN A 707 0.062 -3.757 -10.268 1.00 65.44 C ATOM 1847 CD GLN A 707 0.900 -4.988 -10.042 1.00 32.24 C ATOM 1848 OE1 GLN A 707 0.555 -5.833 -9.238 1.00 33.23 O ATOM 1849 NE2 GLN A 707 2.017 -5.073 -10.696 1.00 43.32 N ATOM 0 H GLN A 707 1.456 -0.970 -8.043 1.00 11.34 H new ATOM 0 HA GLN A 707 2.552 -2.849 -9.886 1.00 24.32 H new ATOM 0 HB2 GLN A 707 0.503 -2.992 -8.368 1.00 55.41 H new ATOM 0 HB3 GLN A 707 -0.270 -1.855 -9.454 1.00 55.41 H new ATOM 0 HG2 GLN A 707 -0.986 -3.991 -10.078 1.00 65.44 H new ATOM 0 HG3 GLN A 707 0.137 -3.453 -11.312 1.00 65.44 H new ATOM 0 HE21 GLN A 707 2.274 -4.345 -11.363 1.00 43.32 H new ATOM 0 HE22 GLN A 707 2.638 -5.868 -10.543 1.00 43.32 H new ATOM 1857 N GLU A 708 0.709 -0.428 -11.156 1.00 71.41 N ATOM 1858 CA GLU A 708 0.483 0.413 -12.325 1.00 62.50 C ATOM 1859 C GLU A 708 -0.835 1.144 -12.194 1.00 12.12 C ATOM 1860 O GLU A 708 -1.871 0.532 -11.907 1.00 23.15 O ATOM 1861 CB GLU A 708 0.477 -0.416 -13.631 1.00 54.04 C ATOM 1862 CG GLU A 708 -0.528 -1.569 -13.645 1.00 42.22 C ATOM 1863 CD GLU A 708 -0.498 -2.353 -14.917 1.00 13.20 C ATOM 1864 OE1 GLU A 708 -1.218 -2.001 -15.853 1.00 71.31 O ATOM 1865 OE2 GLU A 708 0.259 -3.343 -15.004 1.00 74.10 O ATOM 0 H GLU A 708 -0.013 -0.335 -10.441 1.00 71.41 H new ATOM 0 HA GLU A 708 1.303 1.130 -12.375 1.00 62.50 H new ATOM 0 HB2 GLU A 708 0.260 0.249 -14.467 1.00 54.04 H new ATOM 0 HB3 GLU A 708 1.476 -0.819 -13.795 1.00 54.04 H new ATOM 0 HG2 GLU A 708 -0.319 -2.236 -12.808 1.00 42.22 H new ATOM 0 HG3 GLU A 708 -1.531 -1.171 -13.493 1.00 42.22 H new ATOM 1872 N GLU A 709 -0.801 2.436 -12.321 1.00 72.02 N ATOM 1873 CA GLU A 709 -2.022 3.184 -12.390 1.00 11.23 C ATOM 1874 C GLU A 709 -2.446 3.175 -13.839 1.00 10.55 C ATOM 1875 O GLU A 709 -1.668 3.542 -14.724 1.00 30.33 O ATOM 1876 CB GLU A 709 -1.818 4.616 -11.829 1.00 53.55 C ATOM 1877 CG GLU A 709 -3.069 5.516 -11.724 1.00 53.34 C ATOM 1878 CD GLU A 709 -3.578 6.052 -13.044 1.00 24.21 C ATOM 1879 OE1 GLU A 709 -3.095 7.124 -13.479 1.00 42.12 O ATOM 1880 OE2 GLU A 709 -4.468 5.433 -13.651 1.00 4.25 O ATOM 0 H GLU A 709 0.052 2.992 -12.379 1.00 72.02 H new ATOM 0 HA GLU A 709 -2.807 2.742 -11.776 1.00 11.23 H new ATOM 0 HB2 GLU A 709 -1.379 4.530 -10.835 1.00 53.55 H new ATOM 0 HB3 GLU A 709 -1.087 5.125 -12.458 1.00 53.55 H new ATOM 0 HG2 GLU A 709 -3.868 4.949 -11.246 1.00 53.34 H new ATOM 0 HG3 GLU A 709 -2.840 6.358 -11.070 1.00 53.34 H new ATOM 1887 N ASP A 710 -3.641 2.758 -14.072 1.00 32.30 N ATOM 1888 CA ASP A 710 -4.178 2.665 -15.420 1.00 60.42 C ATOM 1889 C ASP A 710 -5.668 2.827 -15.373 1.00 42.24 C ATOM 1890 O ASP A 710 -6.283 3.410 -16.256 1.00 1.41 O ATOM 1891 CB ASP A 710 -3.824 1.310 -16.049 1.00 23.12 C ATOM 1892 CG ASP A 710 -4.382 1.147 -17.442 1.00 23.12 C ATOM 1893 OD1 ASP A 710 -3.810 1.721 -18.383 1.00 30.32 O ATOM 1894 OD2 ASP A 710 -5.414 0.447 -17.618 1.00 25.10 O ATOM 0 H ASP A 710 -4.291 2.466 -13.342 1.00 32.30 H new ATOM 0 HA ASP A 710 -3.740 3.455 -16.030 1.00 60.42 H new ATOM 0 HB2 ASP A 710 -2.740 1.202 -16.082 1.00 23.12 H new ATOM 0 HB3 ASP A 710 -4.205 0.510 -15.414 1.00 23.12 H new ATOM 1899 N ASN A 711 -6.244 2.332 -14.308 1.00 61.22 N ATOM 1900 CA ASN A 711 -7.681 2.365 -14.119 1.00 62.11 C ATOM 1901 C ASN A 711 -8.114 3.603 -13.310 1.00 50.14 C ATOM 1902 O ASN A 711 -9.211 3.627 -12.757 1.00 44.03 O ATOM 1903 CB ASN A 711 -8.149 1.064 -13.420 1.00 60.52 C ATOM 1904 CG ASN A 711 -7.581 0.884 -12.014 1.00 12.32 C ATOM 1905 OD1 ASN A 711 -8.166 1.329 -11.046 1.00 23.34 O ATOM 1906 ND2 ASN A 711 -6.457 0.218 -11.902 1.00 74.11 N ATOM 0 H ASN A 711 -5.733 1.892 -13.542 1.00 61.22 H new ATOM 0 HA ASN A 711 -8.154 2.433 -15.099 1.00 62.11 H new ATOM 0 HB2 ASN A 711 -9.238 1.063 -13.365 1.00 60.52 H new ATOM 0 HB3 ASN A 711 -7.860 0.209 -14.031 1.00 60.52 H new ATOM 0 HD21 ASN A 711 -6.048 0.060 -10.981 1.00 74.11 H new ATOM 0 HD22 ASN A 711 -5.992 -0.142 -12.736 1.00 74.11 H new ATOM 1912 N SER A 712 -7.236 4.638 -13.266 1.00 55.32 N ATOM 1913 CA SER A 712 -7.480 5.913 -12.537 1.00 33.21 C ATOM 1914 C SER A 712 -7.289 5.748 -11.029 1.00 22.50 C ATOM 1915 O SER A 712 -7.413 6.692 -10.245 1.00 32.14 O ATOM 1916 CB SER A 712 -8.854 6.526 -12.879 1.00 43.12 C ATOM 1917 OG SER A 712 -8.974 6.746 -14.290 1.00 1.51 O ATOM 0 H SER A 712 -6.332 4.612 -13.738 1.00 55.32 H new ATOM 0 HA SER A 712 -6.727 6.622 -12.881 1.00 33.21 H new ATOM 0 HB2 SER A 712 -9.649 5.861 -12.541 1.00 43.12 H new ATOM 0 HB3 SER A 712 -8.980 7.469 -12.347 1.00 43.12 H new ATOM 0 HG SER A 712 -9.900 6.981 -14.507 1.00 1.51 H new ATOM 1923 N THR A 713 -6.980 4.557 -10.647 1.00 61.14 N ATOM 1924 CA THR A 713 -6.717 4.218 -9.308 1.00 44.44 C ATOM 1925 C THR A 713 -5.340 3.555 -9.271 1.00 33.11 C ATOM 1926 O THR A 713 -5.014 2.730 -10.138 1.00 53.51 O ATOM 1927 CB THR A 713 -7.814 3.258 -8.789 1.00 3.04 C ATOM 1928 OG1 THR A 713 -9.105 3.873 -8.953 1.00 14.25 O ATOM 1929 CG2 THR A 713 -7.619 2.924 -7.329 1.00 20.03 C ATOM 0 H THR A 713 -6.903 3.769 -11.290 1.00 61.14 H new ATOM 0 HA THR A 713 -6.722 5.099 -8.666 1.00 44.44 H new ATOM 0 HB THR A 713 -7.748 2.336 -9.366 1.00 3.04 H new ATOM 0 HG1 THR A 713 -9.801 3.265 -8.626 1.00 14.25 H new ATOM 0 HG21 THR A 713 -8.409 2.248 -7.002 1.00 20.03 H new ATOM 0 HG22 THR A 713 -6.650 2.444 -7.192 1.00 20.03 H new ATOM 0 HG23 THR A 713 -7.657 3.839 -6.738 1.00 20.03 H new ATOM 1935 N TYR A 714 -4.529 3.950 -8.323 1.00 41.25 N ATOM 1936 CA TYR A 714 -3.201 3.412 -8.185 1.00 31.21 C ATOM 1937 C TYR A 714 -3.251 2.083 -7.503 1.00 21.13 C ATOM 1938 O TYR A 714 -3.700 1.985 -6.379 1.00 34.11 O ATOM 1939 CB TYR A 714 -2.296 4.360 -7.385 1.00 45.31 C ATOM 1940 CG TYR A 714 -1.987 5.666 -8.066 1.00 34.32 C ATOM 1941 CD1 TYR A 714 -2.889 6.707 -8.065 1.00 64.12 C ATOM 1942 CD2 TYR A 714 -0.780 5.857 -8.714 1.00 4.13 C ATOM 1943 CE1 TYR A 714 -2.595 7.892 -8.688 1.00 13.13 C ATOM 1944 CE2 TYR A 714 -0.482 7.042 -9.336 1.00 60.25 C ATOM 1945 CZ TYR A 714 -1.393 8.053 -9.321 1.00 3.13 C ATOM 1946 OH TYR A 714 -1.093 9.247 -9.928 1.00 62.21 O ATOM 0 H TYR A 714 -4.771 4.654 -7.625 1.00 41.25 H new ATOM 0 HA TYR A 714 -2.785 3.296 -9.186 1.00 31.21 H new ATOM 0 HB2 TYR A 714 -2.771 4.570 -6.427 1.00 45.31 H new ATOM 0 HB3 TYR A 714 -1.358 3.848 -7.170 1.00 45.31 H new ATOM 0 HD1 TYR A 714 -3.840 6.588 -7.567 1.00 64.12 H new ATOM 0 HD2 TYR A 714 -0.057 5.055 -8.730 1.00 4.13 H new ATOM 0 HE1 TYR A 714 -3.313 8.699 -8.679 1.00 13.13 H new ATOM 0 HE2 TYR A 714 0.468 7.172 -9.834 1.00 60.25 H new ATOM 0 HH TYR A 714 -1.020 9.950 -9.249 1.00 62.21 H new ATOM 1956 N ASN A 715 -2.784 1.077 -8.169 1.00 42.03 N ATOM 1957 CA ASN A 715 -2.731 -0.242 -7.588 1.00 65.12 C ATOM 1958 C ASN A 715 -1.359 -0.543 -7.100 1.00 34.52 C ATOM 1959 O ASN A 715 -0.356 -0.218 -7.756 1.00 0.21 O ATOM 1960 CB ASN A 715 -3.126 -1.319 -8.599 1.00 5.34 C ATOM 1961 CG ASN A 715 -4.617 -1.477 -8.812 1.00 55.22 C ATOM 1962 OD1 ASN A 715 -5.214 -0.794 -9.634 1.00 4.10 O ATOM 1963 ND2 ASN A 715 -5.224 -2.430 -8.104 1.00 34.31 N ATOM 0 H ASN A 715 -2.429 1.136 -9.124 1.00 42.03 H new ATOM 0 HA ASN A 715 -3.438 -0.251 -6.759 1.00 65.12 H new ATOM 0 HB2 ASN A 715 -2.659 -1.087 -9.556 1.00 5.34 H new ATOM 0 HB3 ASN A 715 -2.718 -2.274 -8.269 1.00 5.34 H new ATOM 0 HD21 ASN A 715 -6.219 -2.610 -8.239 1.00 34.31 H new ATOM 0 HD22 ASN A 715 -4.693 -2.979 -7.428 1.00 34.31 H new ATOM 1969 N PHE A 716 -1.305 -1.120 -5.940 1.00 11.41 N ATOM 1970 CA PHE A 716 -0.081 -1.574 -5.365 1.00 62.34 C ATOM 1971 C PHE A 716 -0.153 -3.035 -5.112 1.00 63.22 C ATOM 1972 O PHE A 716 -1.204 -3.560 -4.753 1.00 52.25 O ATOM 1973 CB PHE A 716 0.289 -0.816 -4.085 1.00 3.30 C ATOM 1974 CG PHE A 716 0.637 0.614 -4.334 1.00 34.41 C ATOM 1975 CD1 PHE A 716 -0.341 1.584 -4.462 1.00 64.10 C ATOM 1976 CD2 PHE A 716 1.955 0.982 -4.463 1.00 22.15 C ATOM 1977 CE1 PHE A 716 0.004 2.893 -4.721 1.00 32.11 C ATOM 1978 CE2 PHE A 716 2.302 2.279 -4.712 1.00 13.32 C ATOM 1979 CZ PHE A 716 1.331 3.233 -4.846 1.00 61.25 C ATOM 0 H PHE A 716 -2.125 -1.291 -5.358 1.00 11.41 H new ATOM 0 HA PHE A 716 0.713 -1.369 -6.084 1.00 62.34 H new ATOM 0 HB2 PHE A 716 -0.546 -0.865 -3.386 1.00 3.30 H new ATOM 0 HB3 PHE A 716 1.134 -1.312 -3.607 1.00 3.30 H new ATOM 0 HD1 PHE A 716 -1.382 1.314 -4.358 1.00 64.10 H new ATOM 0 HD2 PHE A 716 2.728 0.234 -4.366 1.00 22.15 H new ATOM 0 HE1 PHE A 716 -0.762 3.647 -4.825 1.00 32.11 H new ATOM 0 HE2 PHE A 716 3.343 2.552 -4.803 1.00 13.32 H new ATOM 0 HZ PHE A 716 1.607 4.257 -5.051 1.00 61.25 H new ATOM 1989 N ARG A 717 0.938 -3.676 -5.310 1.00 43.02 N ATOM 1990 CA ARG A 717 1.064 -5.077 -5.126 1.00 34.13 C ATOM 1991 C ARG A 717 1.817 -5.304 -3.833 1.00 62.12 C ATOM 1992 O ARG A 717 2.949 -4.893 -3.696 1.00 31.12 O ATOM 1993 CB ARG A 717 1.799 -5.636 -6.358 1.00 61.50 C ATOM 1994 CG ARG A 717 2.209 -7.076 -6.289 1.00 75.54 C ATOM 1995 CD ARG A 717 2.652 -7.597 -7.660 1.00 2.45 C ATOM 1996 NE ARG A 717 3.758 -6.821 -8.284 1.00 24.25 N ATOM 1997 CZ ARG A 717 4.543 -7.297 -9.283 1.00 54.33 C ATOM 1998 NH1 ARG A 717 4.381 -8.544 -9.719 1.00 63.31 N ATOM 1999 NH2 ARG A 717 5.486 -6.525 -9.827 1.00 24.23 N ATOM 0 H ARG A 717 1.800 -3.225 -5.616 1.00 43.02 H new ATOM 0 HA ARG A 717 0.106 -5.590 -5.044 1.00 34.13 H new ATOM 0 HB2 ARG A 717 1.157 -5.504 -7.229 1.00 61.50 H new ATOM 0 HB3 ARG A 717 2.692 -5.034 -6.527 1.00 61.50 H new ATOM 0 HG2 ARG A 717 3.024 -7.190 -5.574 1.00 75.54 H new ATOM 0 HG3 ARG A 717 1.376 -7.676 -5.922 1.00 75.54 H new ATOM 0 HD2 ARG A 717 2.966 -8.635 -7.556 1.00 2.45 H new ATOM 0 HD3 ARG A 717 1.794 -7.589 -8.333 1.00 2.45 H new ATOM 0 HE ARG A 717 3.936 -5.877 -7.941 1.00 24.25 H new ATOM 0 HH11 ARG A 717 3.667 -9.141 -9.302 1.00 63.31 H new ATOM 0 HH12 ARG A 717 4.971 -8.902 -10.470 1.00 63.31 H new ATOM 0 HH21 ARG A 717 5.620 -5.571 -9.492 1.00 24.23 H new ATOM 0 HH22 ARG A 717 6.073 -6.889 -10.578 1.00 24.23 H new ATOM 2011 N TRP A 718 1.181 -5.930 -2.886 1.00 71.01 N ATOM 2012 CA TRP A 718 1.764 -6.078 -1.576 1.00 64.21 C ATOM 2013 C TRP A 718 1.988 -7.551 -1.278 1.00 71.15 C ATOM 2014 O TRP A 718 1.060 -8.353 -1.344 1.00 53.13 O ATOM 2015 CB TRP A 718 0.814 -5.467 -0.534 1.00 41.41 C ATOM 2016 CG TRP A 718 1.417 -5.237 0.824 1.00 74.10 C ATOM 2017 CD1 TRP A 718 2.052 -6.142 1.620 1.00 15.21 C ATOM 2018 CD2 TRP A 718 1.403 -4.012 1.556 1.00 2.24 C ATOM 2019 NE1 TRP A 718 2.449 -5.550 2.784 1.00 72.23 N ATOM 2020 CE2 TRP A 718 2.063 -4.246 2.771 1.00 33.23 C ATOM 2021 CE3 TRP A 718 0.903 -2.737 1.295 1.00 25.11 C ATOM 2022 CZ2 TRP A 718 2.232 -3.258 3.724 1.00 30.55 C ATOM 2023 CZ3 TRP A 718 1.073 -1.755 2.243 1.00 34.11 C ATOM 2024 CH2 TRP A 718 1.733 -2.020 3.441 1.00 3.12 C ATOM 0 H TRP A 718 0.257 -6.348 -2.992 1.00 71.01 H new ATOM 0 HA TRP A 718 2.724 -5.563 -1.538 1.00 64.21 H new ATOM 0 HB2 TRP A 718 0.445 -4.515 -0.916 1.00 41.41 H new ATOM 0 HB3 TRP A 718 -0.050 -6.123 -0.424 1.00 41.41 H new ATOM 0 HD1 TRP A 718 2.217 -7.179 1.366 1.00 15.21 H new ATOM 0 HE1 TRP A 718 2.954 -6.011 3.541 1.00 72.23 H new ATOM 0 HE3 TRP A 718 0.393 -2.525 0.367 1.00 25.11 H new ATOM 0 HZ2 TRP A 718 2.739 -3.459 4.656 1.00 30.55 H new ATOM 0 HZ3 TRP A 718 0.689 -0.763 2.056 1.00 34.11 H new ATOM 0 HH2 TRP A 718 1.853 -1.226 4.163 1.00 3.12 H new ATOM 2035 N TYR A 719 3.201 -7.897 -0.963 1.00 54.10 N ATOM 2036 CA TYR A 719 3.540 -9.256 -0.618 1.00 51.13 C ATOM 2037 C TYR A 719 3.571 -9.391 0.887 1.00 41.21 C ATOM 2038 O TYR A 719 4.493 -8.932 1.525 1.00 40.54 O ATOM 2039 CB TYR A 719 4.887 -9.628 -1.217 1.00 34.24 C ATOM 2040 CG TYR A 719 4.912 -9.566 -2.722 1.00 22.43 C ATOM 2041 CD1 TYR A 719 4.217 -10.496 -3.470 1.00 11.01 C ATOM 2042 CD2 TYR A 719 5.626 -8.586 -3.394 1.00 65.23 C ATOM 2043 CE1 TYR A 719 4.226 -10.464 -4.838 1.00 4.54 C ATOM 2044 CE2 TYR A 719 5.643 -8.549 -4.771 1.00 12.32 C ATOM 2045 CZ TYR A 719 4.939 -9.495 -5.484 1.00 5.11 C ATOM 2046 OH TYR A 719 4.953 -9.471 -6.846 1.00 34.14 O ATOM 0 H TYR A 719 3.988 -7.248 -0.936 1.00 54.10 H new ATOM 0 HA TYR A 719 2.790 -9.935 -1.023 1.00 51.13 H new ATOM 0 HB2 TYR A 719 5.650 -8.958 -0.821 1.00 34.24 H new ATOM 0 HB3 TYR A 719 5.152 -10.636 -0.898 1.00 34.24 H new ATOM 0 HD1 TYR A 719 3.654 -11.266 -2.964 1.00 11.01 H new ATOM 0 HD2 TYR A 719 6.174 -7.844 -2.832 1.00 65.23 H new ATOM 0 HE1 TYR A 719 3.673 -11.200 -5.403 1.00 4.54 H new ATOM 0 HE2 TYR A 719 6.204 -7.784 -5.288 1.00 12.32 H new ATOM 0 HH TYR A 719 5.504 -8.721 -7.154 1.00 34.14 H new ATOM 2056 N THR A 720 2.556 -9.997 1.445 1.00 13.04 N ATOM 2057 CA THR A 720 2.410 -10.063 2.878 1.00 23.23 C ATOM 2058 C THR A 720 1.891 -11.425 3.327 1.00 60.10 C ATOM 2059 O THR A 720 1.096 -12.070 2.624 1.00 62.03 O ATOM 2060 CB THR A 720 1.463 -8.960 3.388 1.00 55.33 C ATOM 2061 OG1 THR A 720 1.344 -9.021 4.817 1.00 43.23 O ATOM 2062 CG2 THR A 720 0.097 -9.104 2.744 1.00 71.51 C ATOM 0 H THR A 720 1.810 -10.457 0.923 1.00 13.04 H new ATOM 0 HA THR A 720 3.401 -9.911 3.306 1.00 23.23 H new ATOM 0 HB THR A 720 1.882 -7.991 3.115 1.00 55.33 H new ATOM 0 HG1 THR A 720 2.200 -9.298 5.205 1.00 43.23 H new ATOM 0 HG21 THR A 720 -0.563 -8.319 3.112 1.00 71.51 H new ATOM 0 HG22 THR A 720 0.194 -9.018 1.662 1.00 71.51 H new ATOM 0 HG23 THR A 720 -0.323 -10.078 2.995 1.00 71.51 H new ATOM 2068 N SER A 721 2.377 -11.889 4.448 1.00 12.42 N ATOM 2069 CA SER A 721 1.918 -13.127 5.015 1.00 32.52 C ATOM 2070 C SER A 721 0.480 -12.988 5.554 1.00 3.10 C ATOM 2071 O SER A 721 -0.263 -13.960 5.617 1.00 2.20 O ATOM 2072 CB SER A 721 2.876 -13.575 6.111 1.00 12.42 C ATOM 2073 OG SER A 721 3.087 -12.530 7.041 1.00 14.03 O ATOM 0 H SER A 721 3.101 -11.420 4.992 1.00 12.42 H new ATOM 0 HA SER A 721 1.900 -13.888 4.235 1.00 32.52 H new ATOM 0 HB2 SER A 721 2.471 -14.448 6.622 1.00 12.42 H new ATOM 0 HB3 SER A 721 3.827 -13.876 5.671 1.00 12.42 H new ATOM 0 HG SER A 721 3.704 -12.833 7.740 1.00 14.03 H new ATOM 2079 N TYR A 722 0.084 -11.756 5.891 1.00 0.14 N ATOM 2080 CA TYR A 722 -1.214 -11.488 6.490 1.00 23.50 C ATOM 2081 C TYR A 722 -2.359 -11.619 5.518 1.00 11.21 C ATOM 2082 O TYR A 722 -3.508 -11.619 5.919 1.00 43.20 O ATOM 2083 CB TYR A 722 -1.233 -10.129 7.155 1.00 22.34 C ATOM 2084 CG TYR A 722 -0.274 -10.036 8.303 1.00 31.31 C ATOM 2085 CD1 TYR A 722 -0.666 -10.417 9.570 1.00 32.44 C ATOM 2086 CD2 TYR A 722 1.025 -9.583 8.121 1.00 24.20 C ATOM 2087 CE1 TYR A 722 0.200 -10.353 10.626 1.00 11.04 C ATOM 2088 CE2 TYR A 722 1.897 -9.513 9.174 1.00 50.41 C ATOM 2089 CZ TYR A 722 1.480 -9.902 10.428 1.00 14.40 C ATOM 2090 OH TYR A 722 2.353 -9.847 11.492 1.00 13.23 O ATOM 0 H TYR A 722 0.657 -10.923 5.754 1.00 0.14 H new ATOM 0 HA TYR A 722 -1.362 -12.258 7.247 1.00 23.50 H new ATOM 0 HB2 TYR A 722 -0.987 -9.364 6.418 1.00 22.34 H new ATOM 0 HB3 TYR A 722 -2.241 -9.917 7.510 1.00 22.34 H new ATOM 0 HD1 TYR A 722 -1.673 -10.772 9.730 1.00 32.44 H new ATOM 0 HD2 TYR A 722 1.352 -9.282 7.137 1.00 24.20 H new ATOM 0 HE1 TYR A 722 -0.122 -10.656 11.611 1.00 11.04 H new ATOM 0 HE2 TYR A 722 2.905 -9.155 9.023 1.00 50.41 H new ATOM 0 HH TYR A 722 3.220 -9.507 11.187 1.00 13.23 H new ATOM 2100 N ALA A 723 -2.049 -11.717 4.249 1.00 13.31 N ATOM 2101 CA ALA A 723 -3.072 -11.896 3.235 1.00 4.04 C ATOM 2102 C ALA A 723 -3.185 -13.359 2.879 1.00 70.13 C ATOM 2103 O ALA A 723 -3.937 -13.744 1.979 1.00 1.24 O ATOM 2104 CB ALA A 723 -2.729 -11.093 1.999 1.00 73.41 C ATOM 0 H ALA A 723 -1.096 -11.676 3.888 1.00 13.31 H new ATOM 0 HA ALA A 723 -4.026 -11.545 3.629 1.00 4.04 H new ATOM 0 HB1 ALA A 723 -3.504 -11.236 1.246 1.00 73.41 H new ATOM 0 HB2 ALA A 723 -2.665 -10.036 2.258 1.00 73.41 H new ATOM 0 HB3 ALA A 723 -1.771 -11.428 1.602 1.00 73.41 H new ATOM 2110 N CYS A 724 -2.456 -14.172 3.590 1.00 50.41 N ATOM 2111 CA CYS A 724 -2.396 -15.560 3.288 1.00 15.32 C ATOM 2112 C CYS A 724 -2.710 -16.367 4.550 1.00 23.31 C ATOM 2113 O CYS A 724 -2.120 -16.123 5.613 1.00 22.42 O ATOM 2114 CB CYS A 724 -0.998 -15.879 2.776 1.00 73.32 C ATOM 2115 SG CYS A 724 -0.822 -17.495 1.972 1.00 40.51 S ATOM 0 H CYS A 724 -1.892 -13.886 4.390 1.00 50.41 H new ATOM 0 HA CYS A 724 -3.128 -15.821 2.524 1.00 15.32 H new ATOM 0 HB2 CYS A 724 -0.702 -15.105 2.068 1.00 73.32 H new ATOM 0 HB3 CYS A 724 -0.301 -15.829 3.613 1.00 73.32 H new ATOM 2120 N PRO A 725 -3.656 -17.311 4.463 1.00 4.23 N ATOM 2121 CA PRO A 725 -4.048 -18.136 5.596 1.00 13.54 C ATOM 2122 C PRO A 725 -3.051 -19.269 5.846 1.00 73.13 C ATOM 2123 O PRO A 725 -2.115 -19.084 6.652 1.00 37.02 O ATOM 2124 CB PRO A 725 -5.419 -18.685 5.183 1.00 33.41 C ATOM 2125 CG PRO A 725 -5.401 -18.705 3.688 1.00 74.10 C ATOM 2126 CD PRO A 725 -4.424 -17.645 3.243 1.00 11.43 C ATOM 2127 OXT PRO A 725 -3.192 -20.351 5.241 1.00 37.02 O ATOM 0 HA PRO A 725 -4.077 -17.575 6.530 1.00 13.54 H new ATOM 0 HB2 PRO A 725 -5.581 -19.684 5.588 1.00 33.41 H new ATOM 0 HB3 PRO A 725 -6.225 -18.054 5.558 1.00 33.41 H new ATOM 0 HG2 PRO A 725 -5.100 -19.686 3.319 1.00 74.10 H new ATOM 0 HG3 PRO A 725 -6.395 -18.505 3.288 1.00 74.10 H new ATOM 0 HD2 PRO A 725 -3.771 -18.014 2.452 1.00 11.43 H new ATOM 0 HD3 PRO A 725 -4.941 -16.770 2.848 1.00 11.43 H new