USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=37 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= -3.86! C(o=-3.9!,f=-6.6!) USER MOD Set 1.2: A 714 TYR OH : rot 180:sc= -0.0319 USER MOD Set 2.1: A 640 SER OG : rot 76:sc= 0.771 USER MOD Set 2.2: A 654 ASN : amide:sc= 1.47 K(o=2.2,f=-8.6!) USER MOD Set 3.1: A 611 LYS NZ :NH3+ 160:sc= 1.17 (180deg=-0.0409) USER MOD Set 3.2: A 632 SER OG : rot -120:sc= 0.999 USER MOD Set 4.1: A 587 THR OG1 : rot 113:sc= 1.6 USER MOD Set 4.2: A 598 GLN : amide:sc= -1.29 K(o=0.31,f=-1.5) USER MOD Single : A 591 ASN : amide:sc= 0.776 K(o=0.78,f=-7.2!) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 31:sc= 0.0306 USER MOD Single : A 606 THR OG1 : rot -91:sc= -0.38 USER MOD Single : A 609 THR OG1 : rot -73:sc= 1.2 USER MOD Single : A 610 LYS NZ :NH3+ 173:sc=-0.00513 (180deg=-0.0735) USER MOD Single : A 614 TYR OH : rot 13:sc= -0.259 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -45:sc= 1.42 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 HD1:sc= -1.97! C(o=-2!,f=-6.4!) USER MOD Single : A 626 ASN : amide:sc= 0.654 K(o=0.65,f=-7.8!) USER MOD Single : A 646 SER OG : rot -172:sc= 1.93 USER MOD Single : A 648 SER OG : rot -160:sc= -1.1 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 131:sc= 1.22 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 ASN : amide:sc= -0.707! C(o=-0.71!,f=-9!) USER MOD Single : A 661 LYS NZ :NH3+ -169:sc= -0.252 (180deg=-0.271) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot -176:sc= 0.0942 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 171:sc= -4.52! (180deg=-4.83!) USER MOD Single : A 670 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.69) USER MOD Single : A 672 THR OG1 : rot 180:sc=-0.00579 USER MOD Single : A 673 TYR OH : rot -130:sc= 1.5 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.686 USER MOD Single : A 679 TYR OH : rot -170:sc= -2.62! USER MOD Single : A 685 THR OG1 : rot 39:sc= 0.0983 USER MOD Single : A 689 THR OG1 : rot 71:sc= 0.518 USER MOD Single : A 692 THR OG1 : rot 180:sc= 0 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.236 USER MOD Single : A 707 GLN : amide:sc= -5.39! K(o=-5.4!,f=-1.4) USER MOD Single : A 711 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 712 SER OG : rot -2:sc= 1.19 USER MOD Single : A 713 THR OG1 : rot 160:sc= 0 USER MOD Single : A 715 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.58) USER MOD Single : A 719 TYR OH : rot 30:sc= -0.33 USER MOD Single : A 720 THR OG1 : rot 110:sc= -0.0141 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -16.665 -8.092 -0.193 1.00 31.51 N ATOM 137 CA THR A 587 -16.698 -8.050 1.221 1.00 1.12 C ATOM 138 C THR A 587 -15.945 -6.830 1.699 1.00 65.11 C ATOM 139 O THR A 587 -14.746 -6.708 1.472 1.00 72.32 O ATOM 140 CB THR A 587 -16.058 -9.298 1.819 1.00 30.02 C ATOM 141 OG1 THR A 587 -16.643 -10.473 1.226 1.00 11.42 O ATOM 142 CG2 THR A 587 -16.294 -9.321 3.316 1.00 33.53 C ATOM 0 HA THR A 587 -17.739 -8.005 1.542 1.00 1.12 H new ATOM 0 HB THR A 587 -14.987 -9.284 1.618 1.00 30.02 H new ATOM 0 HG1 THR A 587 -15.972 -10.932 0.679 1.00 11.42 H new ATOM 0 HG21 THR A 587 -15.836 -10.213 3.743 1.00 33.53 H new ATOM 0 HG22 THR A 587 -15.850 -8.434 3.768 1.00 33.53 H new ATOM 0 HG23 THR A 587 -17.366 -9.332 3.515 1.00 33.53 H new ATOM 148 N GLU A 588 -16.642 -5.922 2.314 1.00 61.53 N ATOM 149 CA GLU A 588 -16.025 -4.745 2.825 1.00 45.53 C ATOM 150 C GLU A 588 -16.012 -4.811 4.345 1.00 44.10 C ATOM 151 O GLU A 588 -17.044 -5.098 4.976 1.00 21.21 O ATOM 152 CB GLU A 588 -16.743 -3.496 2.304 1.00 50.23 C ATOM 153 CG GLU A 588 -16.102 -2.183 2.707 1.00 20.31 C ATOM 154 CD GLU A 588 -16.811 -0.998 2.111 1.00 31.31 C ATOM 155 OE1 GLU A 588 -17.777 -0.500 2.725 1.00 1.25 O ATOM 156 OE2 GLU A 588 -16.433 -0.559 1.004 1.00 40.12 O ATOM 0 H GLU A 588 -17.648 -5.979 2.473 1.00 61.53 H new ATOM 0 HA GLU A 588 -14.993 -4.682 2.479 1.00 45.53 H new ATOM 0 HB2 GLU A 588 -16.785 -3.545 1.216 1.00 50.23 H new ATOM 0 HB3 GLU A 588 -17.772 -3.508 2.664 1.00 50.23 H new ATOM 0 HG2 GLU A 588 -16.105 -2.097 3.794 1.00 20.31 H new ATOM 0 HG3 GLU A 588 -15.059 -2.177 2.390 1.00 20.31 H new ATOM 163 N GLY A 589 -14.846 -4.598 4.916 1.00 23.30 N ATOM 164 CA GLY A 589 -14.679 -4.655 6.345 1.00 14.21 C ATOM 165 C GLY A 589 -15.035 -3.351 7.026 1.00 55.23 C ATOM 166 O GLY A 589 -15.807 -2.547 6.494 1.00 51.02 O ATOM 0 H GLY A 589 -13.992 -4.381 4.401 1.00 23.30 H new ATOM 0 HA2 GLY A 589 -15.302 -5.453 6.748 1.00 14.21 H new ATOM 0 HA3 GLY A 589 -13.645 -4.911 6.576 1.00 14.21 H new ATOM 170 N ASP A 590 -14.467 -3.135 8.182 1.00 74.33 N ATOM 171 CA ASP A 590 -14.753 -1.945 8.974 1.00 0.31 C ATOM 172 C ASP A 590 -13.476 -1.363 9.496 1.00 1.13 C ATOM 173 O ASP A 590 -13.183 -0.180 9.302 1.00 11.12 O ATOM 174 CB ASP A 590 -15.685 -2.283 10.134 1.00 41.22 C ATOM 175 CG ASP A 590 -16.073 -1.065 10.926 1.00 24.54 C ATOM 176 OD1 ASP A 590 -17.022 -0.388 10.529 1.00 45.14 O ATOM 177 OD2 ASP A 590 -15.440 -0.762 11.946 1.00 32.44 O ATOM 0 H ASP A 590 -13.793 -3.770 8.610 1.00 74.33 H new ATOM 0 HA ASP A 590 -15.248 -1.213 8.336 1.00 0.31 H new ATOM 0 HB2 ASP A 590 -16.583 -2.764 9.747 1.00 41.22 H new ATOM 0 HB3 ASP A 590 -15.197 -3.002 10.792 1.00 41.22 H new ATOM 182 N ASN A 591 -12.727 -2.192 10.154 1.00 41.31 N ATOM 183 CA ASN A 591 -11.437 -1.839 10.677 1.00 54.52 C ATOM 184 C ASN A 591 -10.453 -2.418 9.665 1.00 32.42 C ATOM 185 O ASN A 591 -10.897 -2.973 8.659 1.00 13.33 O ATOM 186 CB ASN A 591 -11.264 -2.516 12.057 1.00 44.15 C ATOM 187 CG ASN A 591 -10.097 -2.000 12.904 1.00 61.43 C ATOM 188 OD1 ASN A 591 -9.081 -1.501 12.399 1.00 30.51 O ATOM 189 ND2 ASN A 591 -10.229 -2.142 14.195 1.00 4.01 N ATOM 0 H ASN A 591 -12.999 -3.156 10.349 1.00 41.31 H new ATOM 0 HA ASN A 591 -11.294 -0.767 10.814 1.00 54.52 H new ATOM 0 HB2 ASN A 591 -12.186 -2.387 12.624 1.00 44.15 H new ATOM 0 HB3 ASN A 591 -11.132 -3.587 11.903 1.00 44.15 H new ATOM 0 HD21 ASN A 591 -9.483 -1.838 14.820 1.00 4.01 H new ATOM 0 HD22 ASN A 591 -11.078 -2.557 14.578 1.00 4.01 H new ATOM 195 N CYS A 592 -9.161 -2.356 9.907 1.00 72.51 N ATOM 196 CA CYS A 592 -8.200 -2.879 8.987 1.00 75.21 C ATOM 197 C CYS A 592 -8.120 -4.420 9.108 1.00 22.34 C ATOM 198 O CYS A 592 -7.059 -5.029 8.977 1.00 75.33 O ATOM 199 CB CYS A 592 -6.861 -2.266 9.279 1.00 0.25 C ATOM 200 SG CYS A 592 -5.712 -2.481 7.930 1.00 72.00 S ATOM 0 H CYS A 592 -8.758 -1.941 10.747 1.00 72.51 H new ATOM 0 HA CYS A 592 -8.501 -2.633 7.969 1.00 75.21 H new ATOM 0 HB2 CYS A 592 -6.987 -1.202 9.481 1.00 0.25 H new ATOM 0 HB3 CYS A 592 -6.447 -2.715 10.182 1.00 0.25 H new ATOM 205 N THR A 593 -9.242 -5.029 9.316 1.00 52.31 N ATOM 206 CA THR A 593 -9.340 -6.428 9.378 1.00 31.22 C ATOM 207 C THR A 593 -10.442 -6.806 8.424 1.00 21.13 C ATOM 208 O THR A 593 -11.433 -6.082 8.317 1.00 53.23 O ATOM 209 CB THR A 593 -9.726 -6.850 10.820 1.00 30.33 C ATOM 210 OG1 THR A 593 -10.946 -6.190 11.202 1.00 0.31 O ATOM 211 CG2 THR A 593 -8.645 -6.452 11.809 1.00 5.43 C ATOM 0 H THR A 593 -10.130 -4.544 9.449 1.00 52.31 H new ATOM 0 HA THR A 593 -8.401 -6.916 9.118 1.00 31.22 H new ATOM 0 HB THR A 593 -9.849 -7.933 10.834 1.00 30.33 H new ATOM 0 HG1 THR A 593 -11.191 -6.457 12.112 1.00 0.31 H new ATOM 0 HG21 THR A 593 -8.939 -6.759 12.813 1.00 5.43 H new ATOM 0 HG22 THR A 593 -7.708 -6.940 11.540 1.00 5.43 H new ATOM 0 HG23 THR A 593 -8.510 -5.371 11.785 1.00 5.43 H new ATOM 217 N VAL A 594 -10.301 -7.887 7.747 1.00 24.44 N ATOM 218 CA VAL A 594 -11.313 -8.290 6.830 1.00 42.12 C ATOM 219 C VAL A 594 -11.687 -9.735 7.028 1.00 54.11 C ATOM 220 O VAL A 594 -10.817 -10.597 7.171 1.00 71.43 O ATOM 221 CB VAL A 594 -10.927 -7.996 5.344 1.00 13.21 C ATOM 222 CG1 VAL A 594 -9.715 -8.797 4.890 1.00 31.53 C ATOM 223 CG2 VAL A 594 -12.112 -8.190 4.406 1.00 73.32 C ATOM 0 H VAL A 594 -9.496 -8.511 7.808 1.00 24.44 H new ATOM 0 HA VAL A 594 -12.193 -7.684 7.047 1.00 42.12 H new ATOM 0 HB VAL A 594 -10.642 -6.945 5.298 1.00 13.21 H new ATOM 0 HG11 VAL A 594 -9.488 -8.557 3.851 1.00 31.53 H new ATOM 0 HG12 VAL A 594 -8.858 -8.547 5.516 1.00 31.53 H new ATOM 0 HG13 VAL A 594 -9.929 -9.862 4.977 1.00 31.53 H new ATOM 0 HG21 VAL A 594 -11.805 -7.976 3.382 1.00 73.32 H new ATOM 0 HG22 VAL A 594 -12.463 -9.220 4.472 1.00 73.32 H new ATOM 0 HG23 VAL A 594 -12.917 -7.513 4.692 1.00 73.32 H new ATOM 229 N PHE A 595 -12.942 -10.005 7.069 1.00 52.24 N ATOM 230 CA PHE A 595 -13.388 -11.348 7.089 1.00 75.10 C ATOM 231 C PHE A 595 -14.297 -11.572 5.935 1.00 31.32 C ATOM 232 O PHE A 595 -15.302 -10.890 5.790 1.00 31.12 O ATOM 233 CB PHE A 595 -14.050 -11.747 8.408 1.00 63.54 C ATOM 234 CG PHE A 595 -14.653 -13.125 8.346 1.00 54.31 C ATOM 235 CD1 PHE A 595 -13.868 -14.213 8.033 1.00 42.33 C ATOM 236 CD2 PHE A 595 -16.002 -13.321 8.557 1.00 5.22 C ATOM 237 CE1 PHE A 595 -14.400 -15.468 7.935 1.00 54.41 C ATOM 238 CE2 PHE A 595 -16.548 -14.579 8.459 1.00 50.14 C ATOM 239 CZ PHE A 595 -15.741 -15.656 8.146 1.00 32.45 C ATOM 0 H PHE A 595 -13.684 -9.305 7.089 1.00 52.24 H new ATOM 0 HA PHE A 595 -12.513 -11.992 7.003 1.00 75.10 H new ATOM 0 HB2 PHE A 595 -13.312 -11.711 9.209 1.00 63.54 H new ATOM 0 HB3 PHE A 595 -14.826 -11.023 8.657 1.00 63.54 H new ATOM 0 HD1 PHE A 595 -12.811 -14.071 7.862 1.00 42.33 H new ATOM 0 HD2 PHE A 595 -16.634 -12.480 8.801 1.00 5.22 H new ATOM 0 HE1 PHE A 595 -13.766 -16.308 7.692 1.00 54.41 H new ATOM 0 HE2 PHE A 595 -17.605 -14.725 8.626 1.00 50.14 H new ATOM 0 HZ PHE A 595 -16.167 -16.645 8.068 1.00 32.45 H new ATOM 249 N ASP A 596 -13.942 -12.515 5.125 1.00 13.11 N ATOM 250 CA ASP A 596 -14.692 -12.815 3.947 1.00 23.54 C ATOM 251 C ASP A 596 -15.457 -14.085 4.164 1.00 71.41 C ATOM 252 O ASP A 596 -14.875 -15.121 4.500 1.00 63.42 O ATOM 253 CB ASP A 596 -13.764 -12.966 2.775 1.00 33.51 C ATOM 254 CG ASP A 596 -14.504 -13.095 1.484 1.00 23.21 C ATOM 255 OD1 ASP A 596 -14.934 -14.192 1.169 1.00 53.44 O ATOM 256 OD2 ASP A 596 -14.681 -12.088 0.791 1.00 35.52 O ATOM 0 H ASP A 596 -13.120 -13.103 5.261 1.00 13.11 H new ATOM 0 HA ASP A 596 -15.388 -12.002 3.738 1.00 23.54 H new ATOM 0 HB2 ASP A 596 -13.099 -12.104 2.726 1.00 33.51 H new ATOM 0 HB3 ASP A 596 -13.136 -13.845 2.922 1.00 33.51 H new ATOM 261 N SER A 597 -16.748 -14.009 3.994 1.00 40.23 N ATOM 262 CA SER A 597 -17.626 -15.129 4.228 1.00 23.23 C ATOM 263 C SER A 597 -17.441 -16.235 3.161 1.00 55.15 C ATOM 264 O SER A 597 -17.679 -17.420 3.435 1.00 54.45 O ATOM 265 CB SER A 597 -19.085 -14.640 4.289 1.00 32.50 C ATOM 266 OG SER A 597 -19.988 -15.678 4.640 1.00 51.44 O ATOM 0 H SER A 597 -17.227 -13.163 3.687 1.00 40.23 H new ATOM 0 HA SER A 597 -17.367 -15.577 5.187 1.00 23.23 H new ATOM 0 HB2 SER A 597 -19.165 -13.831 5.016 1.00 32.50 H new ATOM 0 HB3 SER A 597 -19.368 -14.227 3.321 1.00 32.50 H new ATOM 0 HG SER A 597 -20.901 -15.322 4.668 1.00 51.44 H new ATOM 272 N GLN A 598 -16.996 -15.856 1.974 1.00 12.40 N ATOM 273 CA GLN A 598 -16.831 -16.806 0.883 1.00 4.15 C ATOM 274 C GLN A 598 -15.525 -17.531 1.079 1.00 3.53 C ATOM 275 O GLN A 598 -15.432 -18.747 0.905 1.00 63.34 O ATOM 276 CB GLN A 598 -16.762 -16.112 -0.506 1.00 15.33 C ATOM 277 CG GLN A 598 -17.908 -15.179 -0.915 1.00 62.53 C ATOM 278 CD GLN A 598 -18.040 -13.962 -0.022 1.00 75.32 C ATOM 279 OE1 GLN A 598 -18.806 -13.960 0.942 1.00 44.22 O ATOM 280 NE2 GLN A 598 -17.241 -12.963 -0.283 1.00 34.55 N ATOM 0 H GLN A 598 -16.742 -14.896 1.740 1.00 12.40 H new ATOM 0 HA GLN A 598 -17.693 -17.473 0.898 1.00 4.15 H new ATOM 0 HB2 GLN A 598 -15.837 -15.537 -0.544 1.00 15.33 H new ATOM 0 HB3 GLN A 598 -16.683 -16.892 -1.263 1.00 15.33 H new ATOM 0 HG2 GLN A 598 -17.751 -14.851 -1.943 1.00 62.53 H new ATOM 0 HG3 GLN A 598 -18.844 -15.737 -0.898 1.00 62.53 H new ATOM 0 HE21 GLN A 598 -16.621 -13.004 -1.092 1.00 34.55 H new ATOM 0 HE22 GLN A 598 -17.237 -12.142 0.322 1.00 34.55 H new ATOM 288 N ALA A 599 -14.519 -16.759 1.447 1.00 40.10 N ATOM 289 CA ALA A 599 -13.182 -17.252 1.626 1.00 12.10 C ATOM 290 C ALA A 599 -13.029 -17.972 2.944 1.00 71.04 C ATOM 291 O ALA A 599 -12.168 -18.825 3.089 1.00 73.14 O ATOM 292 CB ALA A 599 -12.231 -16.070 1.591 1.00 14.12 C ATOM 0 H ALA A 599 -14.618 -15.760 1.630 1.00 40.10 H new ATOM 0 HA ALA A 599 -12.959 -17.961 0.829 1.00 12.10 H new ATOM 0 HB1 ALA A 599 -11.208 -16.422 1.725 1.00 14.12 H new ATOM 0 HB2 ALA A 599 -12.317 -15.562 0.630 1.00 14.12 H new ATOM 0 HB3 ALA A 599 -12.484 -15.376 2.392 1.00 14.12 H new ATOM 298 N GLY A 600 -13.900 -17.663 3.879 1.00 12.41 N ATOM 299 CA GLY A 600 -13.896 -18.335 5.170 1.00 34.25 C ATOM 300 C GLY A 600 -12.641 -18.064 5.993 1.00 53.34 C ATOM 301 O GLY A 600 -12.279 -18.857 6.866 1.00 1.10 O ATOM 0 H GLY A 600 -14.623 -16.951 3.774 1.00 12.41 H new ATOM 0 HA2 GLY A 600 -14.770 -18.017 5.739 1.00 34.25 H new ATOM 0 HA3 GLY A 600 -13.992 -19.409 5.012 1.00 34.25 H new ATOM 305 N PHE A 601 -11.984 -16.954 5.722 1.00 21.41 N ATOM 306 CA PHE A 601 -10.779 -16.585 6.448 1.00 22.33 C ATOM 307 C PHE A 601 -10.846 -15.145 6.882 1.00 24.11 C ATOM 308 O PHE A 601 -11.337 -14.281 6.141 1.00 10.43 O ATOM 309 CB PHE A 601 -9.500 -16.800 5.623 1.00 4.50 C ATOM 310 CG PHE A 601 -9.171 -18.221 5.283 1.00 2.34 C ATOM 311 CD1 PHE A 601 -8.664 -19.070 6.242 1.00 31.02 C ATOM 312 CD2 PHE A 601 -9.359 -18.702 4.009 1.00 64.32 C ATOM 313 CE1 PHE A 601 -8.350 -20.375 5.939 1.00 52.23 C ATOM 314 CE2 PHE A 601 -9.050 -20.006 3.694 1.00 24.24 C ATOM 315 CZ PHE A 601 -8.545 -20.843 4.662 1.00 32.44 C ATOM 0 H PHE A 601 -12.263 -16.288 5.002 1.00 21.41 H new ATOM 0 HA PHE A 601 -10.731 -17.240 7.318 1.00 22.33 H new ATOM 0 HB2 PHE A 601 -9.591 -16.236 4.694 1.00 4.50 H new ATOM 0 HB3 PHE A 601 -8.660 -16.375 6.173 1.00 4.50 H new ATOM 0 HD1 PHE A 601 -8.511 -18.706 7.247 1.00 31.02 H new ATOM 0 HD2 PHE A 601 -9.754 -18.048 3.245 1.00 64.32 H new ATOM 0 HE1 PHE A 601 -7.952 -21.028 6.701 1.00 52.23 H new ATOM 0 HE2 PHE A 601 -9.204 -20.371 2.689 1.00 24.24 H new ATOM 0 HZ PHE A 601 -8.302 -21.867 4.418 1.00 32.44 H new ATOM 325 N SER A 602 -10.372 -14.892 8.071 1.00 53.41 N ATOM 326 CA SER A 602 -10.323 -13.573 8.617 1.00 41.33 C ATOM 327 C SER A 602 -8.869 -13.092 8.636 1.00 1.50 C ATOM 328 O SER A 602 -7.970 -13.821 9.079 1.00 64.31 O ATOM 329 CB SER A 602 -10.932 -13.600 10.020 1.00 63.12 C ATOM 330 OG SER A 602 -10.272 -14.564 10.843 1.00 54.03 O ATOM 0 H SER A 602 -10.004 -15.611 8.694 1.00 53.41 H new ATOM 0 HA SER A 602 -10.898 -12.875 8.008 1.00 41.33 H new ATOM 0 HB2 SER A 602 -10.853 -12.612 10.474 1.00 63.12 H new ATOM 0 HB3 SER A 602 -11.994 -13.837 9.956 1.00 63.12 H new ATOM 0 HG SER A 602 -9.333 -14.638 10.572 1.00 54.03 H new ATOM 336 N PHE A 603 -8.634 -11.906 8.154 1.00 33.33 N ATOM 337 CA PHE A 603 -7.290 -11.377 8.053 1.00 23.41 C ATOM 338 C PHE A 603 -7.175 -10.061 8.798 1.00 64.31 C ATOM 339 O PHE A 603 -8.027 -9.180 8.639 1.00 1.23 O ATOM 340 CB PHE A 603 -6.914 -11.174 6.578 1.00 21.13 C ATOM 341 CG PHE A 603 -6.883 -12.442 5.751 1.00 22.15 C ATOM 342 CD1 PHE A 603 -8.021 -12.916 5.096 1.00 51.21 C ATOM 343 CD2 PHE A 603 -5.712 -13.154 5.623 1.00 75.20 C ATOM 344 CE1 PHE A 603 -7.963 -14.065 4.342 1.00 33.24 C ATOM 345 CE2 PHE A 603 -5.660 -14.304 4.869 1.00 60.41 C ATOM 346 CZ PHE A 603 -6.785 -14.757 4.230 1.00 54.35 C ATOM 0 H PHE A 603 -9.361 -11.274 7.819 1.00 33.33 H new ATOM 0 HA PHE A 603 -6.604 -12.094 8.504 1.00 23.41 H new ATOM 0 HB2 PHE A 603 -7.625 -10.481 6.128 1.00 21.13 H new ATOM 0 HB3 PHE A 603 -5.933 -10.701 6.529 1.00 21.13 H new ATOM 0 HD1 PHE A 603 -8.953 -12.377 5.182 1.00 51.21 H new ATOM 0 HD2 PHE A 603 -4.820 -12.805 6.122 1.00 75.20 H new ATOM 0 HE1 PHE A 603 -8.848 -14.423 3.837 1.00 33.24 H new ATOM 0 HE2 PHE A 603 -4.732 -14.850 4.781 1.00 60.41 H new ATOM 0 HZ PHE A 603 -6.743 -15.659 3.638 1.00 54.35 H new ATOM 356 N ASP A 604 -6.137 -9.922 9.605 1.00 22.33 N ATOM 357 CA ASP A 604 -5.930 -8.685 10.345 1.00 33.43 C ATOM 358 C ASP A 604 -4.746 -7.981 9.756 1.00 33.45 C ATOM 359 O ASP A 604 -3.623 -8.477 9.837 1.00 34.10 O ATOM 360 CB ASP A 604 -5.617 -8.949 11.831 1.00 13.25 C ATOM 361 CG ASP A 604 -6.649 -9.771 12.557 1.00 2.12 C ATOM 362 OD1 ASP A 604 -7.676 -9.219 12.997 1.00 23.02 O ATOM 363 OD2 ASP A 604 -6.445 -11.000 12.708 1.00 63.01 O ATOM 0 H ASP A 604 -5.431 -10.640 9.765 1.00 22.33 H new ATOM 0 HA ASP A 604 -6.843 -8.094 10.278 1.00 33.43 H new ATOM 0 HB2 ASP A 604 -4.655 -9.456 11.901 1.00 13.25 H new ATOM 0 HB3 ASP A 604 -5.511 -7.992 12.341 1.00 13.25 H new ATOM 368 N LEU A 605 -4.966 -6.839 9.167 1.00 34.24 N ATOM 369 CA LEU A 605 -3.875 -6.101 8.588 1.00 53.42 C ATOM 370 C LEU A 605 -3.528 -4.862 9.409 1.00 31.12 C ATOM 371 O LEU A 605 -2.768 -4.006 8.988 1.00 73.01 O ATOM 372 CB LEU A 605 -4.104 -5.813 7.105 1.00 73.11 C ATOM 373 CG LEU A 605 -4.258 -7.072 6.217 1.00 4.30 C ATOM 374 CD1 LEU A 605 -4.359 -6.711 4.765 1.00 32.24 C ATOM 375 CD2 LEU A 605 -3.111 -8.043 6.427 1.00 64.03 C ATOM 0 H LEU A 605 -5.882 -6.400 9.075 1.00 34.24 H new ATOM 0 HA LEU A 605 -2.989 -6.735 8.627 1.00 53.42 H new ATOM 0 HB2 LEU A 605 -5.000 -5.201 7.002 1.00 73.11 H new ATOM 0 HB3 LEU A 605 -3.269 -5.221 6.731 1.00 73.11 H new ATOM 0 HG LEU A 605 -5.185 -7.559 6.519 1.00 4.30 H new ATOM 0 HD11 LEU A 605 -4.466 -7.619 4.171 1.00 32.24 H new ATOM 0 HD12 LEU A 605 -5.227 -6.071 4.609 1.00 32.24 H new ATOM 0 HD13 LEU A 605 -3.457 -6.181 4.458 1.00 32.24 H new ATOM 0 HD21 LEU A 605 -3.251 -8.915 5.788 1.00 64.03 H new ATOM 0 HD22 LEU A 605 -2.170 -7.555 6.173 1.00 64.03 H new ATOM 0 HD23 LEU A 605 -3.087 -8.358 7.470 1.00 64.03 H new ATOM 383 N THR A 606 -4.042 -4.833 10.607 1.00 51.42 N ATOM 384 CA THR A 606 -3.828 -3.758 11.551 1.00 10.21 C ATOM 385 C THR A 606 -2.322 -3.573 11.969 1.00 64.51 C ATOM 386 O THR A 606 -1.862 -2.440 12.089 1.00 1.12 O ATOM 387 CB THR A 606 -4.738 -3.941 12.792 1.00 33.12 C ATOM 388 OG1 THR A 606 -4.674 -5.303 13.243 1.00 32.20 O ATOM 389 CG2 THR A 606 -6.170 -3.600 12.469 1.00 32.41 C ATOM 0 H THR A 606 -4.640 -5.576 10.969 1.00 51.42 H new ATOM 0 HA THR A 606 -4.103 -2.836 11.038 1.00 10.21 H new ATOM 0 HB THR A 606 -4.383 -3.268 13.573 1.00 33.12 H new ATOM 0 HG1 THR A 606 -5.380 -5.825 12.807 1.00 32.20 H new ATOM 0 HG21 THR A 606 -6.786 -3.737 13.358 1.00 32.41 H new ATOM 0 HG22 THR A 606 -6.232 -2.562 12.141 1.00 32.41 H new ATOM 0 HG23 THR A 606 -6.529 -4.253 11.674 1.00 32.41 H new ATOM 395 N PRO A 607 -1.519 -4.679 12.208 1.00 24.33 N ATOM 396 CA PRO A 607 -0.087 -4.551 12.540 1.00 3.42 C ATOM 397 C PRO A 607 0.723 -3.965 11.378 1.00 12.43 C ATOM 398 O PRO A 607 1.826 -3.459 11.562 1.00 51.21 O ATOM 399 CB PRO A 607 0.361 -5.989 12.848 1.00 23.13 C ATOM 400 CG PRO A 607 -0.657 -6.866 12.212 1.00 22.13 C ATOM 401 CD PRO A 607 -1.944 -6.100 12.222 1.00 4.23 C ATOM 0 HA PRO A 607 0.074 -3.869 13.375 1.00 3.42 H new ATOM 0 HB2 PRO A 607 1.355 -6.185 12.446 1.00 23.13 H new ATOM 0 HB3 PRO A 607 0.412 -6.163 13.923 1.00 23.13 H new ATOM 0 HG2 PRO A 607 -0.366 -7.122 11.193 1.00 22.13 H new ATOM 0 HG3 PRO A 607 -0.759 -7.803 12.760 1.00 22.13 H new ATOM 0 HD2 PRO A 607 -2.558 -6.341 11.354 1.00 4.23 H new ATOM 0 HD3 PRO A 607 -2.538 -6.330 13.107 1.00 4.23 H new ATOM 409 N LEU A 608 0.150 -4.045 10.189 1.00 3.23 N ATOM 410 CA LEU A 608 0.769 -3.573 8.956 1.00 74.03 C ATOM 411 C LEU A 608 0.756 -2.046 8.860 1.00 2.24 C ATOM 412 O LEU A 608 1.487 -1.463 8.068 1.00 2.12 O ATOM 413 CB LEU A 608 0.061 -4.179 7.725 1.00 22.12 C ATOM 414 CG LEU A 608 0.286 -5.673 7.404 1.00 1.45 C ATOM 415 CD1 LEU A 608 1.730 -5.934 7.126 1.00 74.04 C ATOM 416 CD2 LEU A 608 -0.193 -6.577 8.510 1.00 53.31 C ATOM 0 H LEU A 608 -0.777 -4.447 10.048 1.00 3.23 H new ATOM 0 HA LEU A 608 1.808 -3.901 8.973 1.00 74.03 H new ATOM 0 HB2 LEU A 608 -1.011 -4.025 7.850 1.00 22.12 H new ATOM 0 HB3 LEU A 608 0.366 -3.603 6.851 1.00 22.12 H new ATOM 0 HG LEU A 608 -0.305 -5.899 6.516 1.00 1.45 H new ATOM 0 HD11 LEU A 608 1.872 -6.991 6.902 1.00 74.04 H new ATOM 0 HD12 LEU A 608 2.050 -5.336 6.273 1.00 74.04 H new ATOM 0 HD13 LEU A 608 2.323 -5.666 8.000 1.00 74.04 H new ATOM 0 HD21 LEU A 608 -0.012 -7.616 8.235 1.00 53.31 H new ATOM 0 HD22 LEU A 608 0.346 -6.346 9.428 1.00 53.31 H new ATOM 0 HD23 LEU A 608 -1.261 -6.424 8.668 1.00 53.31 H new ATOM 424 N THR A 609 -0.073 -1.424 9.654 1.00 21.41 N ATOM 425 CA THR A 609 -0.197 0.020 9.686 1.00 50.44 C ATOM 426 C THR A 609 1.065 0.646 10.300 1.00 62.41 C ATOM 427 O THR A 609 1.598 0.148 11.300 1.00 31.32 O ATOM 428 CB THR A 609 -1.425 0.394 10.525 1.00 24.02 C ATOM 429 OG1 THR A 609 -2.561 -0.353 10.058 1.00 21.12 O ATOM 430 CG2 THR A 609 -1.731 1.876 10.432 1.00 2.45 C ATOM 0 H THR A 609 -0.691 -1.905 10.307 1.00 21.41 H new ATOM 0 HA THR A 609 -0.313 0.399 8.671 1.00 50.44 H new ATOM 0 HB THR A 609 -1.211 0.155 11.567 1.00 24.02 H new ATOM 0 HG1 THR A 609 -2.855 0.004 9.194 1.00 21.12 H new ATOM 0 HG21 THR A 609 -2.607 2.105 11.039 1.00 2.45 H new ATOM 0 HG22 THR A 609 -0.877 2.447 10.797 1.00 2.45 H new ATOM 0 HG23 THR A 609 -1.929 2.142 9.394 1.00 2.45 H new ATOM 436 N LYS A 610 1.549 1.708 9.686 1.00 63.41 N ATOM 437 CA LYS A 610 2.729 2.386 10.155 1.00 24.45 C ATOM 438 C LYS A 610 2.530 3.893 10.206 1.00 71.22 C ATOM 439 O LYS A 610 1.823 4.474 9.379 1.00 31.10 O ATOM 440 CB LYS A 610 3.934 2.081 9.262 1.00 54.11 C ATOM 441 CG LYS A 610 4.388 0.632 9.248 1.00 51.24 C ATOM 442 CD LYS A 610 5.630 0.436 8.382 1.00 1.00 C ATOM 443 CE LYS A 610 6.851 1.186 8.911 1.00 31.35 C ATOM 444 NZ LYS A 610 7.251 0.752 10.273 1.00 21.43 N ATOM 0 H LYS A 610 1.133 2.120 8.851 1.00 63.41 H new ATOM 0 HA LYS A 610 2.917 2.017 11.163 1.00 24.45 H new ATOM 0 HB2 LYS A 610 3.692 2.377 8.241 1.00 54.11 H new ATOM 0 HB3 LYS A 610 4.770 2.702 9.585 1.00 54.11 H new ATOM 0 HG2 LYS A 610 4.600 0.308 10.267 1.00 51.24 H new ATOM 0 HG3 LYS A 610 3.581 0.002 8.874 1.00 51.24 H new ATOM 0 HD2 LYS A 610 5.861 -0.628 8.323 1.00 1.00 H new ATOM 0 HD3 LYS A 610 5.416 0.772 7.368 1.00 1.00 H new ATOM 0 HE2 LYS A 610 7.687 1.037 8.228 1.00 31.35 H new ATOM 0 HE3 LYS A 610 6.637 2.255 8.924 1.00 31.35 H new ATOM 0 HZ1 LYS A 610 8.150 1.207 10.532 1.00 21.43 H new ATOM 0 HZ2 LYS A 610 6.515 1.026 10.955 1.00 21.43 H new ATOM 0 HZ3 LYS A 610 7.369 -0.281 10.288 1.00 21.43 H new ATOM 458 N LYS A 611 3.151 4.507 11.188 1.00 73.14 N ATOM 459 CA LYS A 611 3.197 5.953 11.338 1.00 21.33 C ATOM 460 C LYS A 611 4.086 6.522 10.257 1.00 40.12 C ATOM 461 O LYS A 611 3.769 7.522 9.618 1.00 22.13 O ATOM 462 CB LYS A 611 3.800 6.269 12.704 1.00 72.35 C ATOM 463 CG LYS A 611 3.997 7.753 13.033 1.00 64.12 C ATOM 464 CD LYS A 611 2.718 8.574 12.956 1.00 41.15 C ATOM 465 CE LYS A 611 3.012 10.026 13.327 1.00 60.14 C ATOM 466 NZ LYS A 611 1.846 10.913 13.157 1.00 32.11 N ATOM 0 H LYS A 611 3.651 4.008 11.924 1.00 73.14 H new ATOM 0 HA LYS A 611 2.199 6.383 11.258 1.00 21.33 H new ATOM 0 HB2 LYS A 611 3.160 5.831 13.470 1.00 72.35 H new ATOM 0 HB3 LYS A 611 4.767 5.772 12.774 1.00 72.35 H new ATOM 0 HG2 LYS A 611 4.414 7.841 14.036 1.00 64.12 H new ATOM 0 HG3 LYS A 611 4.730 8.174 12.345 1.00 64.12 H new ATOM 0 HD2 LYS A 611 2.302 8.523 11.950 1.00 41.15 H new ATOM 0 HD3 LYS A 611 1.969 8.161 13.631 1.00 41.15 H new ATOM 0 HE2 LYS A 611 3.346 10.070 14.364 1.00 60.14 H new ATOM 0 HE3 LYS A 611 3.833 10.393 12.712 1.00 60.14 H new ATOM 0 HZ1 LYS A 611 1.981 11.776 13.721 1.00 32.11 H new ATOM 0 HZ2 LYS A 611 1.747 11.168 12.154 1.00 32.11 H new ATOM 0 HZ3 LYS A 611 0.987 10.422 13.476 1.00 32.11 H new ATOM 480 N ASP A 612 5.190 5.836 10.057 1.00 33.14 N ATOM 481 CA ASP A 612 6.203 6.220 9.057 1.00 70.40 C ATOM 482 C ASP A 612 5.735 5.903 7.639 1.00 62.23 C ATOM 483 O ASP A 612 6.283 6.423 6.664 1.00 53.41 O ATOM 484 CB ASP A 612 7.555 5.542 9.366 1.00 12.44 C ATOM 485 CG ASP A 612 8.666 5.866 8.360 1.00 44.32 C ATOM 486 OD1 ASP A 612 9.061 7.059 8.242 1.00 74.44 O ATOM 487 OD2 ASP A 612 9.193 4.931 7.715 1.00 63.42 O ATOM 0 H ASP A 612 5.425 4.991 10.577 1.00 33.14 H new ATOM 0 HA ASP A 612 6.343 7.299 9.117 1.00 70.40 H new ATOM 0 HB2 ASP A 612 7.882 5.845 10.361 1.00 12.44 H new ATOM 0 HB3 ASP A 612 7.409 4.462 9.394 1.00 12.44 H new ATOM 492 N ALA A 613 4.692 5.061 7.544 1.00 75.24 N ATOM 493 CA ALA A 613 4.091 4.647 6.268 1.00 44.32 C ATOM 494 C ALA A 613 5.054 3.824 5.410 1.00 63.42 C ATOM 495 O ALA A 613 6.168 3.517 5.820 1.00 73.12 O ATOM 496 CB ALA A 613 3.583 5.859 5.491 1.00 4.25 C ATOM 0 H ALA A 613 4.240 4.646 8.359 1.00 75.24 H new ATOM 0 HA ALA A 613 3.246 4.003 6.510 1.00 44.32 H new ATOM 0 HB1 ALA A 613 3.142 5.529 4.550 1.00 4.25 H new ATOM 0 HB2 ALA A 613 2.830 6.380 6.082 1.00 4.25 H new ATOM 0 HB3 ALA A 613 4.414 6.534 5.286 1.00 4.25 H new ATOM 502 N TYR A 614 4.590 3.434 4.254 1.00 61.51 N ATOM 503 CA TYR A 614 5.388 2.716 3.288 1.00 53.33 C ATOM 504 C TYR A 614 5.639 3.605 2.099 1.00 62.04 C ATOM 505 O TYR A 614 4.700 4.223 1.583 1.00 22.53 O ATOM 506 CB TYR A 614 4.645 1.460 2.819 1.00 40.43 C ATOM 507 CG TYR A 614 4.468 0.396 3.874 1.00 44.35 C ATOM 508 CD1 TYR A 614 3.587 0.567 4.939 1.00 4.51 C ATOM 509 CD2 TYR A 614 5.179 -0.794 3.795 1.00 53.20 C ATOM 510 CE1 TYR A 614 3.430 -0.402 5.880 1.00 42.12 C ATOM 511 CE2 TYR A 614 5.026 -1.782 4.741 1.00 13.22 C ATOM 512 CZ TYR A 614 4.144 -1.577 5.789 1.00 44.30 C ATOM 513 OH TYR A 614 3.974 -2.540 6.742 1.00 71.01 O ATOM 0 H TYR A 614 3.632 3.607 3.949 1.00 61.51 H new ATOM 0 HA TYR A 614 6.331 2.425 3.750 1.00 53.33 H new ATOM 0 HB2 TYR A 614 3.662 1.753 2.451 1.00 40.43 H new ATOM 0 HB3 TYR A 614 5.185 1.029 1.976 1.00 40.43 H new ATOM 0 HD1 TYR A 614 3.020 1.483 5.019 1.00 4.51 H new ATOM 0 HD2 TYR A 614 5.865 -0.947 2.975 1.00 53.20 H new ATOM 0 HE1 TYR A 614 2.744 -0.250 6.700 1.00 42.12 H new ATOM 0 HE2 TYR A 614 5.585 -2.703 4.667 1.00 13.22 H new ATOM 0 HH TYR A 614 3.182 -2.331 7.281 1.00 71.01 H new ATOM 523 N LYS A 615 6.874 3.707 1.672 1.00 64.31 N ATOM 524 CA LYS A 615 7.180 4.473 0.498 1.00 74.31 C ATOM 525 C LYS A 615 7.576 3.555 -0.652 1.00 2.22 C ATOM 526 O LYS A 615 8.426 2.669 -0.506 1.00 5.14 O ATOM 527 CB LYS A 615 8.302 5.496 0.731 1.00 33.02 C ATOM 528 CG LYS A 615 8.609 6.336 -0.506 1.00 21.22 C ATOM 529 CD LYS A 615 10.010 6.970 -0.431 1.00 34.23 C ATOM 530 CE LYS A 615 10.228 7.855 0.777 1.00 23.41 C ATOM 531 NZ LYS A 615 11.593 8.411 0.833 1.00 72.14 N ATOM 0 H LYS A 615 7.678 3.269 2.121 1.00 64.31 H new ATOM 0 HA LYS A 615 6.273 5.022 0.247 1.00 74.31 H new ATOM 0 HB2 LYS A 615 8.020 6.156 1.551 1.00 33.02 H new ATOM 0 HB3 LYS A 615 9.206 4.972 1.041 1.00 33.02 H new ATOM 0 HG2 LYS A 615 8.540 5.711 -1.396 1.00 21.22 H new ATOM 0 HG3 LYS A 615 7.859 7.121 -0.608 1.00 21.22 H new ATOM 0 HD2 LYS A 615 10.756 6.175 -0.424 1.00 34.23 H new ATOM 0 HD3 LYS A 615 10.179 7.558 -1.333 1.00 34.23 H new ATOM 0 HE2 LYS A 615 9.507 8.672 0.759 1.00 23.41 H new ATOM 0 HE3 LYS A 615 10.036 7.281 1.683 1.00 23.41 H new ATOM 0 HZ1 LYS A 615 11.690 9.009 1.678 1.00 72.14 H new ATOM 0 HZ2 LYS A 615 12.283 7.634 0.878 1.00 72.14 H new ATOM 0 HZ3 LYS A 615 11.770 8.983 -0.018 1.00 72.14 H new ATOM 545 N VAL A 616 6.946 3.757 -1.756 1.00 14.41 N ATOM 546 CA VAL A 616 7.266 3.082 -2.985 1.00 72.55 C ATOM 547 C VAL A 616 7.950 4.117 -3.855 1.00 24.14 C ATOM 548 O VAL A 616 7.547 5.281 -3.845 1.00 70.32 O ATOM 549 CB VAL A 616 5.981 2.602 -3.696 1.00 4.04 C ATOM 550 CG1 VAL A 616 6.302 1.803 -4.954 1.00 54.12 C ATOM 551 CG2 VAL A 616 5.101 1.800 -2.753 1.00 62.34 C ATOM 0 H VAL A 616 6.170 4.413 -1.841 1.00 14.41 H new ATOM 0 HA VAL A 616 7.891 2.209 -2.798 1.00 72.55 H new ATOM 0 HB VAL A 616 5.427 3.489 -4.002 1.00 4.04 H new ATOM 0 HG11 VAL A 616 5.374 1.482 -5.428 1.00 54.12 H new ATOM 0 HG12 VAL A 616 6.866 2.427 -5.647 1.00 54.12 H new ATOM 0 HG13 VAL A 616 6.895 0.928 -4.688 1.00 54.12 H new ATOM 0 HG21 VAL A 616 4.204 1.475 -3.280 1.00 62.34 H new ATOM 0 HG22 VAL A 616 5.649 0.927 -2.398 1.00 62.34 H new ATOM 0 HG23 VAL A 616 4.818 2.421 -1.903 1.00 62.34 H new ATOM 557 N GLU A 617 8.957 3.739 -4.578 1.00 14.43 N ATOM 558 CA GLU A 617 9.693 4.710 -5.362 1.00 74.15 C ATOM 559 C GLU A 617 9.756 4.356 -6.815 1.00 70.03 C ATOM 560 O GLU A 617 9.857 3.182 -7.187 1.00 10.41 O ATOM 561 CB GLU A 617 11.101 4.910 -4.815 1.00 4.13 C ATOM 562 CG GLU A 617 11.140 5.507 -3.433 1.00 12.15 C ATOM 563 CD GLU A 617 12.532 5.662 -2.917 1.00 13.33 C ATOM 564 OE1 GLU A 617 13.185 6.668 -3.221 1.00 62.05 O ATOM 565 OE2 GLU A 617 13.004 4.775 -2.193 1.00 75.55 O ATOM 0 H GLU A 617 9.294 2.779 -4.649 1.00 14.43 H new ATOM 0 HA GLU A 617 9.140 5.646 -5.277 1.00 74.15 H new ATOM 0 HB2 GLU A 617 11.614 3.948 -4.799 1.00 4.13 H new ATOM 0 HB3 GLU A 617 11.656 5.556 -5.495 1.00 4.13 H new ATOM 0 HG2 GLU A 617 10.651 6.481 -3.447 1.00 12.15 H new ATOM 0 HG3 GLU A 617 10.571 4.875 -2.751 1.00 12.15 H new ATOM 572 N THR A 618 9.683 5.379 -7.630 1.00 23.04 N ATOM 573 CA THR A 618 9.823 5.258 -9.045 1.00 51.31 C ATOM 574 C THR A 618 10.966 6.198 -9.425 1.00 53.51 C ATOM 575 O THR A 618 11.698 6.654 -8.526 1.00 44.42 O ATOM 576 CB THR A 618 8.504 5.662 -9.780 1.00 43.23 C ATOM 577 OG1 THR A 618 8.181 7.023 -9.501 1.00 35.50 O ATOM 578 CG2 THR A 618 7.339 4.803 -9.325 1.00 31.30 C ATOM 0 H THR A 618 9.521 6.335 -7.314 1.00 23.04 H new ATOM 0 HA THR A 618 10.031 4.229 -9.338 1.00 51.31 H new ATOM 0 HB THR A 618 8.670 5.519 -10.848 1.00 43.23 H new ATOM 0 HG1 THR A 618 8.290 7.195 -8.542 1.00 35.50 H new ATOM 0 HG21 THR A 618 6.435 5.107 -9.853 1.00 31.30 H new ATOM 0 HG22 THR A 618 7.552 3.756 -9.542 1.00 31.30 H new ATOM 0 HG23 THR A 618 7.192 4.928 -8.252 1.00 31.30 H new ATOM 584 N ASP A 619 11.132 6.504 -10.690 1.00 12.34 N ATOM 585 CA ASP A 619 12.214 7.404 -11.106 1.00 11.40 C ATOM 586 C ASP A 619 12.035 8.785 -10.536 1.00 63.31 C ATOM 587 O ASP A 619 12.962 9.358 -9.960 1.00 5.44 O ATOM 588 CB ASP A 619 12.351 7.509 -12.637 1.00 22.50 C ATOM 589 CG ASP A 619 12.848 6.253 -13.293 1.00 53.33 C ATOM 590 OD1 ASP A 619 14.075 6.018 -13.279 1.00 51.44 O ATOM 591 OD2 ASP A 619 12.031 5.486 -13.838 1.00 51.30 O ATOM 0 H ASP A 619 10.547 6.155 -11.450 1.00 12.34 H new ATOM 0 HA ASP A 619 13.128 6.960 -10.711 1.00 11.40 H new ATOM 0 HB2 ASP A 619 11.381 7.769 -13.061 1.00 22.50 H new ATOM 0 HB3 ASP A 619 13.033 8.325 -12.875 1.00 22.50 H new ATOM 596 N LYS A 620 10.853 9.324 -10.670 1.00 41.41 N ATOM 597 CA LYS A 620 10.635 10.685 -10.255 1.00 42.40 C ATOM 598 C LYS A 620 9.485 10.884 -9.284 1.00 73.42 C ATOM 599 O LYS A 620 9.255 11.993 -8.809 1.00 3.23 O ATOM 600 CB LYS A 620 10.573 11.612 -11.472 1.00 11.42 C ATOM 601 CG LYS A 620 9.574 11.204 -12.549 1.00 54.53 C ATOM 602 CD LYS A 620 9.759 11.999 -13.831 1.00 64.34 C ATOM 603 CE LYS A 620 11.079 11.640 -14.507 1.00 75.01 C ATOM 604 NZ LYS A 620 11.300 12.405 -15.746 1.00 65.41 N ATOM 0 H LYS A 620 10.037 8.851 -11.057 1.00 41.41 H new ATOM 0 HA LYS A 620 11.503 10.966 -9.659 1.00 42.40 H new ATOM 0 HB2 LYS A 620 10.325 12.617 -11.131 1.00 11.42 H new ATOM 0 HB3 LYS A 620 11.565 11.664 -11.920 1.00 11.42 H new ATOM 0 HG2 LYS A 620 9.686 10.141 -12.763 1.00 54.53 H new ATOM 0 HG3 LYS A 620 8.560 11.349 -12.176 1.00 54.53 H new ATOM 0 HD2 LYS A 620 8.931 11.799 -14.511 1.00 64.34 H new ATOM 0 HD3 LYS A 620 9.738 13.066 -13.609 1.00 64.34 H new ATOM 0 HE2 LYS A 620 11.901 11.827 -13.816 1.00 75.01 H new ATOM 0 HE3 LYS A 620 11.090 10.574 -14.734 1.00 75.01 H new ATOM 0 HZ1 LYS A 620 12.209 12.127 -16.169 1.00 65.41 H new ATOM 0 HZ2 LYS A 620 10.531 12.208 -16.418 1.00 65.41 H new ATOM 0 HZ3 LYS A 620 11.317 13.422 -15.528 1.00 65.41 H new ATOM 618 N TYR A 621 8.780 9.840 -8.975 1.00 13.30 N ATOM 619 CA TYR A 621 7.695 9.930 -8.010 1.00 75.11 C ATOM 620 C TYR A 621 7.898 8.925 -6.910 1.00 4.44 C ATOM 621 O TYR A 621 8.586 7.912 -7.092 1.00 10.42 O ATOM 622 CB TYR A 621 6.304 9.731 -8.679 1.00 44.11 C ATOM 623 CG TYR A 621 5.873 10.862 -9.613 1.00 23.11 C ATOM 624 CD1 TYR A 621 6.681 11.264 -10.645 1.00 22.20 C ATOM 625 CD2 TYR A 621 4.669 11.524 -9.435 1.00 1.24 C ATOM 626 CE1 TYR A 621 6.334 12.289 -11.492 1.00 3.11 C ATOM 627 CE2 TYR A 621 4.294 12.556 -10.280 1.00 52.23 C ATOM 628 CZ TYR A 621 5.132 12.937 -11.306 1.00 44.11 C ATOM 629 OH TYR A 621 4.763 13.962 -12.155 1.00 13.32 O ATOM 0 H TYR A 621 8.925 8.910 -9.369 1.00 13.30 H new ATOM 0 HA TYR A 621 7.710 10.934 -7.587 1.00 75.11 H new ATOM 0 HB2 TYR A 621 6.318 8.799 -9.243 1.00 44.11 H new ATOM 0 HB3 TYR A 621 5.553 9.619 -7.897 1.00 44.11 H new ATOM 0 HD1 TYR A 621 7.623 10.758 -10.798 1.00 22.20 H new ATOM 0 HD2 TYR A 621 4.014 11.232 -8.627 1.00 1.24 H new ATOM 0 HE1 TYR A 621 6.995 12.583 -12.294 1.00 3.11 H new ATOM 0 HE2 TYR A 621 3.350 13.060 -10.135 1.00 52.23 H new ATOM 0 HH TYR A 621 3.887 14.310 -11.886 1.00 13.32 H new ATOM 639 N GLU A 622 7.352 9.201 -5.792 1.00 1.04 N ATOM 640 CA GLU A 622 7.382 8.297 -4.697 1.00 65.43 C ATOM 641 C GLU A 622 6.003 8.267 -4.117 1.00 12.13 C ATOM 642 O GLU A 622 5.282 9.283 -4.137 1.00 63.01 O ATOM 643 CB GLU A 622 8.411 8.712 -3.647 1.00 70.53 C ATOM 644 CG GLU A 622 8.097 10.022 -2.991 1.00 43.42 C ATOM 645 CD GLU A 622 9.129 10.444 -1.989 1.00 11.32 C ATOM 646 OE1 GLU A 622 8.988 10.075 -0.808 1.00 15.15 O ATOM 647 OE2 GLU A 622 10.075 11.154 -2.350 1.00 41.10 O ATOM 0 H GLU A 622 6.861 10.075 -5.601 1.00 1.04 H new ATOM 0 HA GLU A 622 7.682 7.306 -5.036 1.00 65.43 H new ATOM 0 HB2 GLU A 622 8.472 7.937 -2.883 1.00 70.53 H new ATOM 0 HB3 GLU A 622 9.393 8.775 -4.116 1.00 70.53 H new ATOM 0 HG2 GLU A 622 8.008 10.792 -3.757 1.00 43.42 H new ATOM 0 HG3 GLU A 622 7.128 9.950 -2.497 1.00 43.42 H new ATOM 654 N PHE A 623 5.610 7.151 -3.648 1.00 73.23 N ATOM 655 CA PHE A 623 4.290 7.000 -3.136 1.00 23.41 C ATOM 656 C PHE A 623 4.349 6.569 -1.693 1.00 24.33 C ATOM 657 O PHE A 623 5.009 5.600 -1.368 1.00 11.34 O ATOM 658 CB PHE A 623 3.512 5.944 -3.946 1.00 4.25 C ATOM 659 CG PHE A 623 3.410 6.209 -5.432 1.00 4.20 C ATOM 660 CD1 PHE A 623 4.461 5.890 -6.282 1.00 75.42 C ATOM 661 CD2 PHE A 623 2.265 6.759 -5.977 1.00 74.43 C ATOM 662 CE1 PHE A 623 4.369 6.120 -7.634 1.00 2.32 C ATOM 663 CE2 PHE A 623 2.170 6.991 -7.332 1.00 2.20 C ATOM 664 CZ PHE A 623 3.224 6.671 -8.161 1.00 21.23 C ATOM 0 H PHE A 623 6.185 6.310 -3.603 1.00 73.23 H new ATOM 0 HA PHE A 623 3.778 7.959 -3.216 1.00 23.41 H new ATOM 0 HB2 PHE A 623 3.989 4.975 -3.799 1.00 4.25 H new ATOM 0 HB3 PHE A 623 2.504 5.868 -3.538 1.00 4.25 H new ATOM 0 HD1 PHE A 623 5.362 5.456 -5.875 1.00 75.42 H new ATOM 0 HD2 PHE A 623 1.435 7.010 -5.333 1.00 74.43 H new ATOM 0 HE1 PHE A 623 5.195 5.868 -8.282 1.00 2.32 H new ATOM 0 HE2 PHE A 623 1.270 7.423 -7.744 1.00 2.20 H new ATOM 0 HZ PHE A 623 3.151 6.853 -9.223 1.00 21.23 H new ATOM 674 N HIS A 624 3.701 7.294 -0.836 1.00 21.13 N ATOM 675 CA HIS A 624 3.584 6.897 0.538 1.00 31.11 C ATOM 676 C HIS A 624 2.181 6.461 0.783 1.00 20.11 C ATOM 677 O HIS A 624 1.240 7.221 0.554 1.00 13.42 O ATOM 678 CB HIS A 624 3.902 8.046 1.491 1.00 30.54 C ATOM 679 CG HIS A 624 5.294 8.538 1.424 1.00 13.41 C ATOM 680 ND1 HIS A 624 6.288 8.056 2.225 1.00 13.34 N ATOM 681 CD2 HIS A 624 5.866 9.482 0.643 1.00 34.24 C ATOM 682 CE1 HIS A 624 7.398 8.662 1.948 1.00 25.13 C ATOM 683 NE2 HIS A 624 7.177 9.539 0.991 1.00 44.03 N ATOM 0 H HIS A 624 3.239 8.174 -1.064 1.00 21.13 H new ATOM 0 HA HIS A 624 4.296 6.093 0.722 1.00 31.11 H new ATOM 0 HB2 HIS A 624 3.228 8.875 1.276 1.00 30.54 H new ATOM 0 HB3 HIS A 624 3.694 7.722 2.511 1.00 30.54 H new ATOM 0 HD2 HIS A 624 5.374 10.077 -0.113 1.00 34.24 H new ATOM 0 HE1 HIS A 624 8.350 8.478 2.424 1.00 25.13 H new ATOM 0 HE2 HIS A 624 7.875 10.158 0.579 1.00 44.03 H new ATOM 692 N ILE A 625 2.032 5.277 1.254 1.00 41.24 N ATOM 693 CA ILE A 625 0.737 4.736 1.538 1.00 62.42 C ATOM 694 C ILE A 625 0.808 4.057 2.878 1.00 24.25 C ATOM 695 O ILE A 625 1.900 3.680 3.338 1.00 44.34 O ATOM 696 CB ILE A 625 0.253 3.702 0.458 1.00 12.22 C ATOM 697 CG1 ILE A 625 1.126 2.455 0.482 1.00 53.20 C ATOM 698 CG2 ILE A 625 0.236 4.323 -0.943 1.00 35.15 C ATOM 699 CD1 ILE A 625 0.775 1.411 -0.563 1.00 41.14 C ATOM 0 H ILE A 625 2.806 4.645 1.458 1.00 41.24 H new ATOM 0 HA ILE A 625 0.017 5.554 1.532 1.00 62.42 H new ATOM 0 HB ILE A 625 -0.769 3.415 0.706 1.00 12.22 H new ATOM 0 HG12 ILE A 625 2.165 2.753 0.342 1.00 53.20 H new ATOM 0 HG13 ILE A 625 1.056 1.998 1.469 1.00 53.20 H new ATOM 0 HG21 ILE A 625 -0.103 3.581 -1.666 1.00 35.15 H new ATOM 0 HG22 ILE A 625 -0.441 5.177 -0.954 1.00 35.15 H new ATOM 0 HG23 ILE A 625 1.241 4.653 -1.207 1.00 35.15 H new ATOM 0 HD11 ILE A 625 1.450 0.560 -0.468 1.00 41.14 H new ATOM 0 HD12 ILE A 625 -0.252 1.078 -0.414 1.00 41.14 H new ATOM 0 HD13 ILE A 625 0.875 1.844 -1.558 1.00 41.14 H new ATOM 706 N ASN A 626 -0.290 3.937 3.509 1.00 3.42 N ATOM 707 CA ASN A 626 -0.347 3.270 4.782 1.00 2.42 C ATOM 708 C ASN A 626 -1.465 2.258 4.741 1.00 71.50 C ATOM 709 O ASN A 626 -2.406 2.424 3.967 1.00 3.10 O ATOM 710 CB ASN A 626 -0.588 4.283 5.903 1.00 32.52 C ATOM 711 CG ASN A 626 -0.538 3.663 7.281 1.00 5.50 C ATOM 712 OD1 ASN A 626 0.178 2.684 7.512 1.00 32.12 O ATOM 713 ND2 ASN A 626 -1.279 4.214 8.197 1.00 50.23 N ATOM 0 H ASN A 626 -1.186 4.292 3.174 1.00 3.42 H new ATOM 0 HA ASN A 626 0.600 2.768 4.980 1.00 2.42 H new ATOM 0 HB2 ASN A 626 0.161 5.073 5.839 1.00 32.52 H new ATOM 0 HB3 ASN A 626 -1.561 4.753 5.757 1.00 32.52 H new ATOM 0 HD21 ASN A 626 -1.282 3.838 9.145 1.00 50.23 H new ATOM 0 HD22 ASN A 626 -1.857 5.022 7.967 1.00 50.23 H new ATOM 719 N VAL A 627 -1.359 1.212 5.530 1.00 63.41 N ATOM 720 CA VAL A 627 -2.395 0.212 5.588 1.00 42.25 C ATOM 721 C VAL A 627 -3.478 0.662 6.500 1.00 32.21 C ATOM 722 O VAL A 627 -3.319 0.636 7.729 1.00 50.33 O ATOM 723 CB VAL A 627 -1.885 -1.167 6.056 1.00 72.22 C ATOM 724 CG1 VAL A 627 -3.038 -2.164 6.135 1.00 54.10 C ATOM 725 CG2 VAL A 627 -0.839 -1.671 5.108 1.00 71.23 C ATOM 0 H VAL A 627 -0.562 1.034 6.141 1.00 63.41 H new ATOM 0 HA VAL A 627 -2.767 0.092 4.570 1.00 42.25 H new ATOM 0 HB VAL A 627 -1.449 -1.059 7.049 1.00 72.22 H new ATOM 0 HG11 VAL A 627 -2.661 -3.131 6.467 1.00 54.10 H new ATOM 0 HG12 VAL A 627 -3.783 -1.803 6.844 1.00 54.10 H new ATOM 0 HG13 VAL A 627 -3.495 -2.271 5.151 1.00 54.10 H new ATOM 0 HG21 VAL A 627 -0.483 -2.645 5.444 1.00 71.23 H new ATOM 0 HG22 VAL A 627 -1.267 -1.765 4.110 1.00 71.23 H new ATOM 0 HG23 VAL A 627 -0.005 -0.970 5.080 1.00 71.23 H new ATOM 731 N CYS A 628 -4.539 1.120 5.894 1.00 72.42 N ATOM 732 CA CYS A 628 -5.752 1.538 6.544 1.00 31.01 C ATOM 733 C CYS A 628 -5.567 2.834 7.326 1.00 31.33 C ATOM 734 O CYS A 628 -4.500 3.120 7.894 1.00 31.12 O ATOM 735 CB CYS A 628 -6.253 0.416 7.442 1.00 53.00 C ATOM 736 SG CYS A 628 -6.443 -1.170 6.574 1.00 74.12 S ATOM 0 H CYS A 628 -4.583 1.217 4.880 1.00 72.42 H new ATOM 0 HA CYS A 628 -6.499 1.747 5.779 1.00 31.01 H new ATOM 0 HB2 CYS A 628 -5.558 0.287 8.272 1.00 53.00 H new ATOM 0 HB3 CYS A 628 -7.213 0.705 7.871 1.00 53.00 H new ATOM 741 N GLY A 629 -6.606 3.599 7.364 1.00 62.34 N ATOM 742 CA GLY A 629 -6.580 4.830 8.068 1.00 64.31 C ATOM 743 C GLY A 629 -5.867 5.871 7.268 1.00 1.32 C ATOM 744 O GLY A 629 -5.900 5.845 6.030 1.00 41.35 O ATOM 0 H GLY A 629 -7.493 3.387 6.908 1.00 62.34 H new ATOM 0 HA2 GLY A 629 -7.598 5.158 8.279 1.00 64.31 H new ATOM 0 HA3 GLY A 629 -6.083 4.697 9.029 1.00 64.31 H new ATOM 748 N PRO A 630 -5.259 6.807 7.929 1.00 53.44 N ATOM 749 CA PRO A 630 -4.508 7.850 7.308 1.00 51.34 C ATOM 750 C PRO A 630 -3.001 7.555 7.246 1.00 21.22 C ATOM 751 O PRO A 630 -2.463 6.708 7.988 1.00 12.12 O ATOM 752 CB PRO A 630 -4.777 9.038 8.236 1.00 21.24 C ATOM 753 CG PRO A 630 -5.445 8.446 9.463 1.00 0.52 C ATOM 754 CD PRO A 630 -5.294 6.982 9.359 1.00 44.12 C ATOM 0 HA PRO A 630 -4.798 8.003 6.268 1.00 51.34 H new ATOM 0 HB2 PRO A 630 -3.851 9.548 8.500 1.00 21.24 H new ATOM 0 HB3 PRO A 630 -5.420 9.775 7.755 1.00 21.24 H new ATOM 0 HG2 PRO A 630 -4.980 8.820 10.376 1.00 0.52 H new ATOM 0 HG3 PRO A 630 -6.498 8.725 9.504 1.00 0.52 H new ATOM 0 HD2 PRO A 630 -4.383 6.627 9.840 1.00 44.12 H new ATOM 0 HD3 PRO A 630 -6.126 6.448 9.819 1.00 44.12 H new ATOM 762 N VAL A 631 -2.337 8.249 6.375 1.00 30.23 N ATOM 763 CA VAL A 631 -0.928 8.151 6.220 1.00 13.45 C ATOM 764 C VAL A 631 -0.317 9.398 6.844 1.00 71.12 C ATOM 765 O VAL A 631 -0.795 10.520 6.613 1.00 43.14 O ATOM 766 CB VAL A 631 -0.526 8.028 4.704 1.00 20.32 C ATOM 767 CG1 VAL A 631 -0.826 9.273 3.879 1.00 15.32 C ATOM 768 CG2 VAL A 631 0.897 7.589 4.537 1.00 23.21 C ATOM 0 H VAL A 631 -2.775 8.915 5.738 1.00 30.23 H new ATOM 0 HA VAL A 631 -0.557 7.253 6.713 1.00 13.45 H new ATOM 0 HB VAL A 631 -1.171 7.247 4.301 1.00 20.32 H new ATOM 0 HG11 VAL A 631 -0.520 9.108 2.846 1.00 15.32 H new ATOM 0 HG12 VAL A 631 -1.895 9.482 3.911 1.00 15.32 H new ATOM 0 HG13 VAL A 631 -0.278 10.122 4.288 1.00 15.32 H new ATOM 0 HG21 VAL A 631 1.133 7.517 3.475 1.00 23.21 H new ATOM 0 HG22 VAL A 631 1.559 8.315 5.008 1.00 23.21 H new ATOM 0 HG23 VAL A 631 1.035 6.615 5.006 1.00 23.21 H new ATOM 774 N SER A 632 0.664 9.238 7.667 1.00 65.45 N ATOM 775 CA SER A 632 1.248 10.381 8.281 1.00 41.12 C ATOM 776 C SER A 632 2.439 10.876 7.492 1.00 13.30 C ATOM 777 O SER A 632 3.586 10.522 7.772 1.00 24.55 O ATOM 778 CB SER A 632 1.576 10.125 9.751 1.00 61.31 C ATOM 779 OG SER A 632 2.122 11.276 10.399 1.00 33.45 O ATOM 0 H SER A 632 1.073 8.341 7.927 1.00 65.45 H new ATOM 0 HA SER A 632 0.510 11.183 8.270 1.00 41.12 H new ATOM 0 HB2 SER A 632 0.671 9.813 10.273 1.00 61.31 H new ATOM 0 HB3 SER A 632 2.285 9.301 9.823 1.00 61.31 H new ATOM 0 HG SER A 632 3.017 11.067 10.738 1.00 33.45 H new ATOM 785 N VAL A 633 2.142 11.614 6.445 1.00 13.24 N ATOM 786 CA VAL A 633 3.155 12.244 5.639 1.00 72.43 C ATOM 787 C VAL A 633 2.847 13.717 5.626 1.00 35.11 C ATOM 788 O VAL A 633 1.712 14.098 5.358 1.00 73.12 O ATOM 789 CB VAL A 633 3.137 11.743 4.169 1.00 12.33 C ATOM 790 CG1 VAL A 633 4.344 12.239 3.395 1.00 54.33 C ATOM 791 CG2 VAL A 633 3.048 10.257 4.105 1.00 43.31 C ATOM 0 H VAL A 633 1.188 11.792 6.131 1.00 13.24 H new ATOM 0 HA VAL A 633 4.133 12.011 6.059 1.00 72.43 H new ATOM 0 HB VAL A 633 2.245 12.158 3.700 1.00 12.33 H new ATOM 0 HG11 VAL A 633 4.297 11.868 2.371 1.00 54.33 H new ATOM 0 HG12 VAL A 633 4.348 13.329 3.387 1.00 54.33 H new ATOM 0 HG13 VAL A 633 5.255 11.876 3.871 1.00 54.33 H new ATOM 0 HG21 VAL A 633 3.037 9.938 3.063 1.00 43.31 H new ATOM 0 HG22 VAL A 633 3.909 9.819 4.610 1.00 43.31 H new ATOM 0 HG23 VAL A 633 2.133 9.926 4.595 1.00 43.31 H new ATOM 797 N GLY A 634 3.833 14.543 5.883 1.00 53.25 N ATOM 798 CA GLY A 634 3.604 15.982 5.925 1.00 61.42 C ATOM 799 C GLY A 634 3.523 16.620 4.546 1.00 21.24 C ATOM 800 O GLY A 634 3.695 17.830 4.400 1.00 45.30 O ATOM 0 H GLY A 634 4.795 14.256 6.065 1.00 53.25 H new ATOM 0 HA2 GLY A 634 2.677 16.180 6.464 1.00 61.42 H new ATOM 0 HA3 GLY A 634 4.408 16.454 6.489 1.00 61.42 H new ATOM 804 N ALA A 635 3.262 15.811 3.546 1.00 42.20 N ATOM 805 CA ALA A 635 3.165 16.271 2.186 1.00 4.21 C ATOM 806 C ALA A 635 1.707 16.422 1.779 1.00 32.13 C ATOM 807 O ALA A 635 1.383 17.176 0.865 1.00 64.31 O ATOM 808 CB ALA A 635 3.883 15.311 1.250 1.00 14.12 C ATOM 0 H ALA A 635 3.110 14.808 3.657 1.00 42.20 H new ATOM 0 HA ALA A 635 3.645 17.247 2.115 1.00 4.21 H new ATOM 0 HB1 ALA A 635 3.801 15.672 0.225 1.00 14.12 H new ATOM 0 HB2 ALA A 635 4.935 15.249 1.530 1.00 14.12 H new ATOM 0 HB3 ALA A 635 3.429 14.323 1.324 1.00 14.12 H new ATOM 814 N CYS A 636 0.840 15.726 2.454 1.00 21.51 N ATOM 815 CA CYS A 636 -0.574 15.777 2.154 1.00 3.12 C ATOM 816 C CYS A 636 -1.351 15.936 3.440 1.00 70.42 C ATOM 817 O CYS A 636 -0.801 15.680 4.510 1.00 64.42 O ATOM 818 CB CYS A 636 -1.001 14.507 1.396 1.00 45.50 C ATOM 819 SG CYS A 636 -0.232 14.341 -0.250 1.00 31.33 S ATOM 0 H CYS A 636 1.085 15.107 3.227 1.00 21.51 H new ATOM 0 HA CYS A 636 -0.785 16.633 1.512 1.00 3.12 H new ATOM 0 HB2 CYS A 636 -0.746 13.634 1.996 1.00 45.50 H new ATOM 0 HB3 CYS A 636 -2.085 14.510 1.282 1.00 45.50 H new ATOM 824 N PRO A 637 -2.624 16.404 3.371 1.00 70.35 N ATOM 825 CA PRO A 637 -3.466 16.563 4.553 1.00 3.21 C ATOM 826 C PRO A 637 -3.517 15.281 5.399 1.00 70.32 C ATOM 827 O PRO A 637 -3.561 14.170 4.854 1.00 65.05 O ATOM 828 CB PRO A 637 -4.862 16.882 3.976 1.00 60.02 C ATOM 829 CG PRO A 637 -4.763 16.589 2.516 1.00 45.30 C ATOM 830 CD PRO A 637 -3.335 16.822 2.152 1.00 34.15 C ATOM 0 HA PRO A 637 -3.086 17.338 5.219 1.00 3.21 H new ATOM 0 HB2 PRO A 637 -5.631 16.271 4.448 1.00 60.02 H new ATOM 0 HB3 PRO A 637 -5.131 17.924 4.150 1.00 60.02 H new ATOM 0 HG2 PRO A 637 -5.059 15.562 2.302 1.00 45.30 H new ATOM 0 HG3 PRO A 637 -5.424 17.237 1.941 1.00 45.30 H new ATOM 0 HD2 PRO A 637 -3.036 16.233 1.285 1.00 34.15 H new ATOM 0 HD3 PRO A 637 -3.143 17.867 1.908 1.00 34.15 H new ATOM 838 N PRO A 638 -3.488 15.428 6.735 1.00 20.43 N ATOM 839 CA PRO A 638 -3.538 14.307 7.692 1.00 20.01 C ATOM 840 C PRO A 638 -4.646 13.278 7.409 1.00 21.34 C ATOM 841 O PRO A 638 -4.495 12.104 7.732 1.00 63.14 O ATOM 842 CB PRO A 638 -3.829 15.003 9.009 1.00 53.41 C ATOM 843 CG PRO A 638 -3.194 16.335 8.877 1.00 74.01 C ATOM 844 CD PRO A 638 -3.357 16.729 7.439 1.00 71.22 C ATOM 0 HA PRO A 638 -2.615 13.729 7.655 1.00 20.01 H new ATOM 0 HB2 PRO A 638 -4.902 15.091 9.182 1.00 53.41 H new ATOM 0 HB3 PRO A 638 -3.414 14.448 9.851 1.00 53.41 H new ATOM 0 HG2 PRO A 638 -3.669 17.061 9.537 1.00 74.01 H new ATOM 0 HG3 PRO A 638 -2.140 16.294 9.154 1.00 74.01 H new ATOM 0 HD2 PRO A 638 -4.237 17.355 7.292 1.00 71.22 H new ATOM 0 HD3 PRO A 638 -2.499 17.296 7.078 1.00 71.22 H new ATOM 852 N ASP A 639 -5.734 13.714 6.794 1.00 71.21 N ATOM 853 CA ASP A 639 -6.867 12.822 6.504 1.00 62.42 C ATOM 854 C ASP A 639 -6.640 11.998 5.238 1.00 30.22 C ATOM 855 O ASP A 639 -7.532 11.297 4.793 1.00 14.21 O ATOM 856 CB ASP A 639 -8.197 13.588 6.393 1.00 4.14 C ATOM 857 CG ASP A 639 -8.268 14.523 5.207 1.00 20.21 C ATOM 858 OD1 ASP A 639 -7.701 15.632 5.277 1.00 13.31 O ATOM 859 OD2 ASP A 639 -8.904 14.160 4.189 1.00 42.23 O ATOM 0 H ASP A 639 -5.865 14.677 6.483 1.00 71.21 H new ATOM 0 HA ASP A 639 -6.933 12.141 7.353 1.00 62.42 H new ATOM 0 HB2 ASP A 639 -9.014 12.870 6.326 1.00 4.14 H new ATOM 0 HB3 ASP A 639 -8.351 14.163 7.306 1.00 4.14 H new ATOM 864 N SER A 640 -5.467 12.084 4.660 1.00 42.23 N ATOM 865 CA SER A 640 -5.144 11.275 3.511 1.00 42.22 C ATOM 866 C SER A 640 -4.551 9.941 3.973 1.00 22.01 C ATOM 867 O SER A 640 -3.843 9.896 4.971 1.00 2.13 O ATOM 868 CB SER A 640 -4.160 12.011 2.594 1.00 43.10 C ATOM 869 OG SER A 640 -3.847 11.241 1.443 1.00 30.55 O ATOM 0 H SER A 640 -4.720 12.707 4.967 1.00 42.23 H new ATOM 0 HA SER A 640 -6.055 11.083 2.945 1.00 42.22 H new ATOM 0 HB2 SER A 640 -4.589 12.965 2.289 1.00 43.10 H new ATOM 0 HB3 SER A 640 -3.246 12.234 3.144 1.00 43.10 H new ATOM 0 HG SER A 640 -4.599 11.270 0.815 1.00 30.55 H new ATOM 875 N GLY A 641 -4.868 8.868 3.260 1.00 20.53 N ATOM 876 CA GLY A 641 -4.346 7.544 3.577 1.00 54.33 C ATOM 877 C GLY A 641 -3.260 7.109 2.606 1.00 3.12 C ATOM 878 O GLY A 641 -2.560 6.111 2.838 1.00 13.03 O ATOM 0 H GLY A 641 -5.489 8.889 2.451 1.00 20.53 H new ATOM 0 HA2 GLY A 641 -3.945 7.546 4.591 1.00 54.33 H new ATOM 0 HA3 GLY A 641 -5.160 6.820 3.557 1.00 54.33 H new ATOM 882 N ALA A 642 -3.112 7.861 1.530 1.00 32.23 N ATOM 883 CA ALA A 642 -2.108 7.607 0.507 1.00 33.33 C ATOM 884 C ALA A 642 -1.762 8.913 -0.178 1.00 21.31 C ATOM 885 O ALA A 642 -2.634 9.613 -0.695 1.00 13.13 O ATOM 886 CB ALA A 642 -2.609 6.573 -0.495 1.00 34.23 C ATOM 0 H ALA A 642 -3.693 8.677 1.338 1.00 32.23 H new ATOM 0 HA ALA A 642 -1.209 7.199 0.970 1.00 33.33 H new ATOM 0 HB1 ALA A 642 -1.843 6.398 -1.251 1.00 34.23 H new ATOM 0 HB2 ALA A 642 -2.827 5.639 0.024 1.00 34.23 H new ATOM 0 HB3 ALA A 642 -3.515 6.941 -0.975 1.00 34.23 H new ATOM 892 N CYS A 643 -0.501 9.226 -0.179 1.00 21.41 N ATOM 893 CA CYS A 643 -0.007 10.476 -0.693 1.00 44.23 C ATOM 894 C CYS A 643 1.235 10.264 -1.528 1.00 21.24 C ATOM 895 O CYS A 643 2.196 9.613 -1.089 1.00 60.31 O ATOM 896 CB CYS A 643 0.299 11.425 0.475 1.00 74.52 C ATOM 897 SG CYS A 643 1.208 12.948 0.019 1.00 24.12 S ATOM 0 H CYS A 643 0.229 8.612 0.183 1.00 21.41 H new ATOM 0 HA CYS A 643 -0.772 10.918 -1.331 1.00 44.23 H new ATOM 0 HB2 CYS A 643 -0.641 11.709 0.948 1.00 74.52 H new ATOM 0 HB3 CYS A 643 0.880 10.883 1.221 1.00 74.52 H new ATOM 902 N GLN A 644 1.222 10.792 -2.715 1.00 32.24 N ATOM 903 CA GLN A 644 2.366 10.723 -3.580 1.00 50.42 C ATOM 904 C GLN A 644 2.978 12.072 -3.730 1.00 53.43 C ATOM 905 O GLN A 644 2.279 13.073 -3.731 1.00 61.31 O ATOM 906 CB GLN A 644 2.053 10.201 -4.957 1.00 15.12 C ATOM 907 CG GLN A 644 0.986 10.973 -5.688 1.00 60.43 C ATOM 908 CD GLN A 644 0.873 10.602 -7.153 1.00 50.20 C ATOM 909 OE1 GLN A 644 -0.184 10.671 -7.729 1.00 73.11 O ATOM 910 NE2 GLN A 644 1.969 10.225 -7.764 1.00 45.21 N ATOM 0 H GLN A 644 0.421 11.282 -3.113 1.00 32.24 H new ATOM 0 HA GLN A 644 3.051 10.022 -3.103 1.00 50.42 H new ATOM 0 HB2 GLN A 644 2.966 10.213 -5.553 1.00 15.12 H new ATOM 0 HB3 GLN A 644 1.740 9.160 -4.875 1.00 15.12 H new ATOM 0 HG2 GLN A 644 0.026 10.801 -5.202 1.00 60.43 H new ATOM 0 HG3 GLN A 644 1.198 12.039 -5.606 1.00 60.43 H new ATOM 0 HE21 GLN A 644 2.849 10.176 -7.250 1.00 45.21 H new ATOM 0 HE22 GLN A 644 1.943 9.980 -8.754 1.00 45.21 H new ATOM 918 N VAL A 645 4.251 12.099 -3.853 1.00 13.51 N ATOM 919 CA VAL A 645 4.957 13.305 -4.050 1.00 12.32 C ATOM 920 C VAL A 645 5.964 13.107 -5.158 1.00 31.33 C ATOM 921 O VAL A 645 6.651 12.076 -5.227 1.00 24.42 O ATOM 922 CB VAL A 645 5.614 13.863 -2.727 1.00 74.41 C ATOM 923 CG1 VAL A 645 6.545 12.867 -2.084 1.00 62.01 C ATOM 924 CG2 VAL A 645 6.337 15.185 -2.974 1.00 3.41 C ATOM 0 H VAL A 645 4.842 11.268 -3.819 1.00 13.51 H new ATOM 0 HA VAL A 645 4.246 14.076 -4.347 1.00 12.32 H new ATOM 0 HB VAL A 645 4.794 14.043 -2.031 1.00 74.41 H new ATOM 0 HG11 VAL A 645 6.971 13.299 -1.178 1.00 62.01 H new ATOM 0 HG12 VAL A 645 5.991 11.963 -1.829 1.00 62.01 H new ATOM 0 HG13 VAL A 645 7.347 12.618 -2.779 1.00 62.01 H new ATOM 0 HG21 VAL A 645 6.777 15.539 -2.042 1.00 3.41 H new ATOM 0 HG22 VAL A 645 7.124 15.037 -3.713 1.00 3.41 H new ATOM 0 HG23 VAL A 645 5.627 15.925 -3.344 1.00 3.41 H new ATOM 930 N SER A 646 5.985 14.029 -6.061 1.00 2.30 N ATOM 931 CA SER A 646 6.919 14.008 -7.122 1.00 63.12 C ATOM 932 C SER A 646 8.219 14.511 -6.586 1.00 2.04 C ATOM 933 O SER A 646 8.303 15.658 -6.145 1.00 55.15 O ATOM 934 CB SER A 646 6.445 14.897 -8.276 1.00 54.13 C ATOM 935 OG SER A 646 7.421 14.955 -9.311 1.00 41.45 O ATOM 0 H SER A 646 5.346 14.824 -6.078 1.00 2.30 H new ATOM 0 HA SER A 646 7.027 12.995 -7.509 1.00 63.12 H new ATOM 0 HB2 SER A 646 5.508 14.510 -8.676 1.00 54.13 H new ATOM 0 HB3 SER A 646 6.242 15.902 -7.906 1.00 54.13 H new ATOM 0 HG SER A 646 7.156 15.627 -9.973 1.00 41.45 H new ATOM 941 N ARG A 647 9.231 13.680 -6.612 1.00 44.11 N ATOM 942 CA ARG A 647 10.510 14.066 -6.089 1.00 73.41 C ATOM 943 C ARG A 647 11.139 15.087 -7.029 1.00 24.41 C ATOM 944 O ARG A 647 12.037 15.816 -6.668 1.00 15.34 O ATOM 945 CB ARG A 647 11.394 12.832 -5.855 1.00 14.00 C ATOM 946 CG ARG A 647 11.878 12.115 -7.098 1.00 51.24 C ATOM 947 CD ARG A 647 12.446 10.750 -6.753 1.00 72.05 C ATOM 948 NE ARG A 647 13.453 10.803 -5.693 1.00 73.00 N ATOM 949 CZ ARG A 647 13.705 9.804 -4.834 1.00 61.43 C ATOM 950 NH1 ARG A 647 13.096 8.626 -4.983 1.00 43.23 N ATOM 951 NH2 ARG A 647 14.567 9.980 -3.843 1.00 65.50 N ATOM 0 H ARG A 647 9.190 12.734 -6.990 1.00 44.11 H new ATOM 0 HA ARG A 647 10.396 14.539 -5.114 1.00 73.41 H new ATOM 0 HB2 ARG A 647 12.264 13.138 -5.275 1.00 14.00 H new ATOM 0 HB3 ARG A 647 10.837 12.122 -5.244 1.00 14.00 H new ATOM 0 HG2 ARG A 647 11.053 12.002 -7.801 1.00 51.24 H new ATOM 0 HG3 ARG A 647 12.641 12.715 -7.595 1.00 51.24 H new ATOM 0 HD2 ARG A 647 11.634 10.092 -6.443 1.00 72.05 H new ATOM 0 HD3 ARG A 647 12.889 10.310 -7.646 1.00 72.05 H new ATOM 0 HE ARG A 647 14.001 11.658 -5.601 1.00 73.00 H new ATOM 0 HH11 ARG A 647 12.439 8.485 -5.750 1.00 43.23 H new ATOM 0 HH12 ARG A 647 13.288 7.866 -4.330 1.00 43.23 H new ATOM 0 HH21 ARG A 647 15.040 10.877 -3.732 1.00 65.50 H new ATOM 0 HH22 ARG A 647 14.757 9.219 -3.191 1.00 65.50 H new ATOM 963 N SER A 648 10.642 15.095 -8.253 1.00 41.11 N ATOM 964 CA SER A 648 11.034 16.037 -9.263 1.00 51.02 C ATOM 965 C SER A 648 10.313 17.384 -9.140 1.00 64.23 C ATOM 966 O SER A 648 10.945 18.439 -9.177 1.00 15.01 O ATOM 967 CB SER A 648 10.814 15.412 -10.630 1.00 72.45 C ATOM 968 OG SER A 648 11.699 14.327 -10.802 1.00 11.24 O ATOM 0 H SER A 648 9.939 14.428 -8.571 1.00 41.11 H new ATOM 0 HA SER A 648 12.092 16.262 -9.125 1.00 51.02 H new ATOM 0 HB2 SER A 648 9.783 15.072 -10.724 1.00 72.45 H new ATOM 0 HB3 SER A 648 10.977 16.155 -11.411 1.00 72.45 H new ATOM 0 HG SER A 648 11.791 14.128 -11.757 1.00 11.24 H new ATOM 974 N ASP A 649 9.009 17.354 -8.970 1.00 62.45 N ATOM 975 CA ASP A 649 8.225 18.598 -8.993 1.00 3.21 C ATOM 976 C ASP A 649 8.006 19.176 -7.622 1.00 13.53 C ATOM 977 O ASP A 649 7.682 20.349 -7.493 1.00 51.04 O ATOM 978 CB ASP A 649 6.857 18.383 -9.649 1.00 15.14 C ATOM 979 CG ASP A 649 6.931 17.863 -11.056 1.00 44.31 C ATOM 980 OD1 ASP A 649 6.948 16.636 -11.227 1.00 64.44 O ATOM 981 OD2 ASP A 649 6.958 18.670 -12.003 1.00 53.24 O ATOM 0 H ASP A 649 8.465 16.505 -8.816 1.00 62.45 H new ATOM 0 HA ASP A 649 8.817 19.303 -9.577 1.00 3.21 H new ATOM 0 HB2 ASP A 649 6.281 17.683 -9.044 1.00 15.14 H new ATOM 0 HB3 ASP A 649 6.313 19.327 -9.649 1.00 15.14 H new ATOM 986 N ARG A 650 8.165 18.346 -6.608 1.00 30.43 N ATOM 987 CA ARG A 650 7.902 18.716 -5.191 1.00 20.14 C ATOM 988 C ARG A 650 6.406 18.936 -4.965 1.00 1.05 C ATOM 989 O ARG A 650 5.972 19.541 -3.983 1.00 14.34 O ATOM 990 CB ARG A 650 8.747 19.919 -4.702 1.00 42.34 C ATOM 991 CG ARG A 650 10.229 19.616 -4.413 1.00 31.30 C ATOM 992 CD ARG A 650 11.013 19.144 -5.627 1.00 53.51 C ATOM 993 NE ARG A 650 12.400 18.818 -5.276 1.00 21.03 N ATOM 994 CZ ARG A 650 13.384 18.559 -6.150 1.00 71.40 C ATOM 995 NH1 ARG A 650 13.163 18.621 -7.456 1.00 24.44 N ATOM 996 NH2 ARG A 650 14.590 18.239 -5.709 1.00 51.21 N ATOM 0 H ARG A 650 8.482 17.384 -6.724 1.00 30.43 H new ATOM 0 HA ARG A 650 8.223 17.874 -4.578 1.00 20.14 H new ATOM 0 HB2 ARG A 650 8.695 20.706 -5.454 1.00 42.34 H new ATOM 0 HB3 ARG A 650 8.292 20.315 -3.794 1.00 42.34 H new ATOM 0 HG2 ARG A 650 10.702 20.514 -4.015 1.00 31.30 H new ATOM 0 HG3 ARG A 650 10.288 18.854 -3.636 1.00 31.30 H new ATOM 0 HD2 ARG A 650 10.529 18.267 -6.056 1.00 53.51 H new ATOM 0 HD3 ARG A 650 11.003 19.920 -6.393 1.00 53.51 H new ATOM 0 HE ARG A 650 12.636 18.786 -4.284 1.00 21.03 H new ATOM 0 HH11 ARG A 650 12.237 18.868 -7.805 1.00 24.44 H new ATOM 0 HH12 ARG A 650 13.919 18.422 -8.111 1.00 24.44 H new ATOM 0 HH21 ARG A 650 14.770 18.190 -4.706 1.00 51.21 H new ATOM 0 HH22 ARG A 650 15.340 18.042 -6.372 1.00 51.21 H new ATOM 1008 N LYS A 651 5.645 18.394 -5.883 1.00 3.33 N ATOM 1009 CA LYS A 651 4.200 18.401 -5.871 1.00 41.11 C ATOM 1010 C LYS A 651 3.714 17.129 -5.215 1.00 32.04 C ATOM 1011 O LYS A 651 4.265 16.058 -5.481 1.00 32.34 O ATOM 1012 CB LYS A 651 3.715 18.369 -7.305 1.00 44.45 C ATOM 1013 CG LYS A 651 3.924 19.604 -8.129 1.00 31.42 C ATOM 1014 CD LYS A 651 2.906 20.657 -7.791 1.00 32.21 C ATOM 1015 CE LYS A 651 2.966 21.785 -8.783 1.00 44.42 C ATOM 1016 NZ LYS A 651 1.965 22.828 -8.511 1.00 45.24 N ATOM 0 H LYS A 651 6.031 17.914 -6.696 1.00 3.33 H new ATOM 0 HA LYS A 651 3.836 19.282 -5.342 1.00 41.11 H new ATOM 0 HB2 LYS A 651 4.209 17.539 -7.810 1.00 44.45 H new ATOM 0 HB3 LYS A 651 2.648 18.146 -7.295 1.00 44.45 H new ATOM 0 HG2 LYS A 651 4.927 19.995 -7.957 1.00 31.42 H new ATOM 0 HG3 LYS A 651 3.856 19.355 -9.188 1.00 31.42 H new ATOM 0 HD2 LYS A 651 1.908 20.219 -7.789 1.00 32.21 H new ATOM 0 HD3 LYS A 651 3.088 21.038 -6.786 1.00 32.21 H new ATOM 0 HE2 LYS A 651 3.962 22.228 -8.765 1.00 44.42 H new ATOM 0 HE3 LYS A 651 2.811 21.390 -9.787 1.00 44.42 H new ATOM 0 HZ1 LYS A 651 2.048 23.582 -9.222 1.00 45.24 H new ATOM 0 HZ2 LYS A 651 1.012 22.414 -8.554 1.00 45.24 H new ATOM 0 HZ3 LYS A 651 2.127 23.226 -7.564 1.00 45.24 H new ATOM 1030 N SER A 652 2.710 17.221 -4.390 1.00 5.24 N ATOM 1031 CA SER A 652 2.153 16.049 -3.775 1.00 51.12 C ATOM 1032 C SER A 652 0.641 16.043 -3.858 1.00 53.41 C ATOM 1033 O SER A 652 -0.013 17.089 -3.720 1.00 15.32 O ATOM 1034 CB SER A 652 2.665 15.864 -2.354 1.00 44.10 C ATOM 1035 OG SER A 652 2.477 17.043 -1.573 1.00 41.13 O ATOM 0 H SER A 652 2.259 18.097 -4.127 1.00 5.24 H new ATOM 0 HA SER A 652 2.497 15.183 -4.340 1.00 51.12 H new ATOM 0 HB2 SER A 652 2.145 15.029 -1.885 1.00 44.10 H new ATOM 0 HB3 SER A 652 3.724 15.607 -2.378 1.00 44.10 H new ATOM 0 HG SER A 652 2.053 16.807 -0.722 1.00 41.13 H new ATOM 1041 N TRP A 653 0.091 14.875 -4.081 1.00 5.32 N ATOM 1042 CA TRP A 653 -1.321 14.730 -4.313 1.00 40.41 C ATOM 1043 C TRP A 653 -1.908 13.687 -3.384 1.00 32.03 C ATOM 1044 O TRP A 653 -1.198 12.796 -2.898 1.00 13.20 O ATOM 1045 CB TRP A 653 -1.566 14.323 -5.771 1.00 24.33 C ATOM 1046 CG TRP A 653 -1.003 15.294 -6.781 1.00 43.32 C ATOM 1047 CD1 TRP A 653 -1.607 16.411 -7.291 1.00 30.04 C ATOM 1048 CD2 TRP A 653 0.289 15.225 -7.396 1.00 25.43 C ATOM 1049 NE1 TRP A 653 -0.766 17.025 -8.194 1.00 34.35 N ATOM 1050 CE2 TRP A 653 0.399 16.315 -8.271 1.00 63.24 C ATOM 1051 CE3 TRP A 653 1.358 14.339 -7.286 1.00 13.44 C ATOM 1052 CZ2 TRP A 653 1.536 16.539 -9.034 1.00 75.40 C ATOM 1053 CZ3 TRP A 653 2.486 14.554 -8.029 1.00 54.20 C ATOM 1054 CH2 TRP A 653 2.572 15.652 -8.902 1.00 52.51 C ATOM 0 H TRP A 653 0.612 13.998 -4.106 1.00 5.32 H new ATOM 0 HA TRP A 653 -1.808 15.685 -4.116 1.00 40.41 H new ATOM 0 HB2 TRP A 653 -1.126 13.340 -5.942 1.00 24.33 H new ATOM 0 HB3 TRP A 653 -2.639 14.225 -5.935 1.00 24.33 H new ATOM 0 HD1 TRP A 653 -2.594 16.759 -7.026 1.00 30.04 H new ATOM 0 HE1 TRP A 653 -0.979 17.873 -8.720 1.00 34.35 H new ATOM 0 HE3 TRP A 653 1.297 13.491 -6.621 1.00 13.44 H new ATOM 0 HZ2 TRP A 653 1.602 17.381 -9.707 1.00 75.40 H new ATOM 0 HZ3 TRP A 653 3.320 13.873 -7.944 1.00 54.20 H new ATOM 0 HH2 TRP A 653 3.472 15.800 -9.480 1.00 52.51 H new ATOM 1065 N ASN A 654 -3.201 13.776 -3.177 1.00 41.24 N ATOM 1066 CA ASN A 654 -3.915 12.876 -2.292 1.00 2.45 C ATOM 1067 C ASN A 654 -4.488 11.773 -3.146 1.00 43.32 C ATOM 1068 O ASN A 654 -5.293 12.037 -4.047 1.00 75.10 O ATOM 1069 CB ASN A 654 -5.077 13.626 -1.649 1.00 4.34 C ATOM 1070 CG ASN A 654 -5.779 12.883 -0.541 1.00 40.25 C ATOM 1071 OD1 ASN A 654 -5.794 11.666 -0.486 1.00 2.22 O ATOM 1072 ND2 ASN A 654 -6.399 13.621 0.326 1.00 50.41 N ATOM 0 H ASN A 654 -3.794 14.478 -3.619 1.00 41.24 H new ATOM 0 HA ASN A 654 -3.251 12.487 -1.520 1.00 2.45 H new ATOM 0 HB2 ASN A 654 -4.705 14.571 -1.254 1.00 4.34 H new ATOM 0 HB3 ASN A 654 -5.806 13.868 -2.422 1.00 4.34 H new ATOM 0 HD21 ASN A 654 -6.922 13.185 1.086 1.00 50.41 H new ATOM 0 HD22 ASN A 654 -6.364 14.637 0.248 1.00 50.41 H new ATOM 1078 N LEU A 655 -4.093 10.561 -2.878 1.00 3.52 N ATOM 1079 CA LEU A 655 -4.518 9.437 -3.687 1.00 1.31 C ATOM 1080 C LEU A 655 -5.665 8.695 -3.038 1.00 52.35 C ATOM 1081 O LEU A 655 -6.107 7.647 -3.521 1.00 2.51 O ATOM 1082 CB LEU A 655 -3.348 8.501 -3.922 1.00 54.51 C ATOM 1083 CG LEU A 655 -2.128 9.119 -4.571 1.00 44.42 C ATOM 1084 CD1 LEU A 655 -1.074 8.067 -4.839 1.00 11.34 C ATOM 1085 CD2 LEU A 655 -2.510 9.843 -5.835 1.00 4.11 C ATOM 0 H LEU A 655 -3.475 10.318 -2.104 1.00 3.52 H new ATOM 0 HA LEU A 655 -4.871 9.819 -4.645 1.00 1.31 H new ATOM 0 HB2 LEU A 655 -3.050 8.075 -2.964 1.00 54.51 H new ATOM 0 HB3 LEU A 655 -3.688 7.674 -4.546 1.00 54.51 H new ATOM 0 HG LEU A 655 -1.703 9.849 -3.882 1.00 44.42 H new ATOM 0 HD11 LEU A 655 -0.206 8.532 -5.306 1.00 11.34 H new ATOM 0 HD12 LEU A 655 -0.776 7.603 -3.899 1.00 11.34 H new ATOM 0 HD13 LEU A 655 -1.480 7.307 -5.506 1.00 11.34 H new ATOM 0 HD21 LEU A 655 -1.620 10.280 -6.287 1.00 4.11 H new ATOM 0 HD22 LEU A 655 -2.964 9.140 -6.534 1.00 4.11 H new ATOM 0 HD23 LEU A 655 -3.223 10.633 -5.600 1.00 4.11 H new ATOM 1093 N GLY A 656 -6.139 9.229 -1.955 1.00 72.20 N ATOM 1094 CA GLY A 656 -7.228 8.638 -1.269 1.00 13.34 C ATOM 1095 C GLY A 656 -7.251 9.048 0.155 1.00 14.22 C ATOM 1096 O GLY A 656 -6.213 9.030 0.830 1.00 64.40 O ATOM 0 H GLY A 656 -5.779 10.083 -1.529 1.00 72.20 H new ATOM 0 HA2 GLY A 656 -8.163 8.927 -1.748 1.00 13.34 H new ATOM 0 HA3 GLY A 656 -7.158 7.552 -1.336 1.00 13.34 H new ATOM 1100 N ARG A 657 -8.411 9.435 0.641 1.00 12.02 N ATOM 1101 CA ARG A 657 -8.522 9.859 1.990 1.00 65.14 C ATOM 1102 C ARG A 657 -8.571 8.650 2.905 1.00 21.14 C ATOM 1103 O ARG A 657 -8.744 7.523 2.419 1.00 24.14 O ATOM 1104 CB ARG A 657 -9.703 10.815 2.177 1.00 34.13 C ATOM 1105 CG ARG A 657 -11.081 10.234 1.936 1.00 62.51 C ATOM 1106 CD ARG A 657 -12.174 11.297 2.051 1.00 13.32 C ATOM 1107 NE ARG A 657 -12.168 12.221 0.897 1.00 3.31 N ATOM 1108 CZ ARG A 657 -11.714 13.484 0.899 1.00 35.13 C ATOM 1109 NH1 ARG A 657 -11.210 14.026 2.010 1.00 11.23 N ATOM 1110 NH2 ARG A 657 -11.783 14.206 -0.216 1.00 12.45 N ATOM 0 H ARG A 657 -9.281 9.459 0.110 1.00 12.02 H new ATOM 0 HA ARG A 657 -7.638 10.434 2.265 1.00 65.14 H new ATOM 0 HB2 ARG A 657 -9.669 11.206 3.194 1.00 34.13 H new ATOM 0 HB3 ARG A 657 -9.567 11.663 1.505 1.00 34.13 H new ATOM 0 HG2 ARG A 657 -11.117 9.782 0.945 1.00 62.51 H new ATOM 0 HG3 ARG A 657 -11.271 9.438 2.656 1.00 62.51 H new ATOM 0 HD2 ARG A 657 -13.147 10.811 2.122 1.00 13.32 H new ATOM 0 HD3 ARG A 657 -12.033 11.864 2.971 1.00 13.32 H new ATOM 0 HE ARG A 657 -12.544 11.866 0.018 1.00 3.31 H new ATOM 0 HH11 ARG A 657 -11.167 13.479 2.870 1.00 11.23 H new ATOM 0 HH12 ARG A 657 -10.868 14.987 1.999 1.00 11.23 H new ATOM 0 HH21 ARG A 657 -12.179 13.799 -1.063 1.00 12.45 H new ATOM 0 HH22 ARG A 657 -11.440 15.167 -0.224 1.00 12.45 H new ATOM 1122 N SER A 658 -8.436 8.882 4.188 1.00 55.15 N ATOM 1123 CA SER A 658 -8.325 7.832 5.177 1.00 43.40 C ATOM 1124 C SER A 658 -9.495 6.860 5.128 1.00 35.25 C ATOM 1125 O SER A 658 -10.667 7.257 5.075 1.00 41.23 O ATOM 1126 CB SER A 658 -8.177 8.453 6.564 1.00 54.25 C ATOM 1127 OG SER A 658 -9.248 9.341 6.859 1.00 63.41 O ATOM 0 H SER A 658 -8.399 9.822 4.583 1.00 55.15 H new ATOM 0 HA SER A 658 -7.435 7.245 4.948 1.00 43.40 H new ATOM 0 HB2 SER A 658 -8.142 7.663 7.315 1.00 54.25 H new ATOM 0 HB3 SER A 658 -7.231 8.991 6.623 1.00 54.25 H new ATOM 0 HG SER A 658 -9.122 9.719 7.754 1.00 63.41 H new ATOM 1133 N ASN A 659 -9.162 5.594 5.117 1.00 24.33 N ATOM 1134 CA ASN A 659 -10.135 4.545 4.999 1.00 30.01 C ATOM 1135 C ASN A 659 -9.581 3.274 5.590 1.00 41.02 C ATOM 1136 O ASN A 659 -8.410 2.974 5.418 1.00 20.01 O ATOM 1137 CB ASN A 659 -10.452 4.335 3.529 1.00 1.12 C ATOM 1138 CG ASN A 659 -11.444 3.245 3.277 1.00 1.11 C ATOM 1139 OD1 ASN A 659 -12.308 2.974 4.085 1.00 73.25 O ATOM 1140 ND2 ASN A 659 -11.319 2.624 2.161 1.00 64.32 N ATOM 0 H ASN A 659 -8.200 5.263 5.190 1.00 24.33 H new ATOM 0 HA ASN A 659 -11.044 4.818 5.535 1.00 30.01 H new ATOM 0 HB2 ASN A 659 -10.836 5.266 3.113 1.00 1.12 H new ATOM 0 HB3 ASN A 659 -9.529 4.104 2.997 1.00 1.12 H new ATOM 0 HD21 ASN A 659 -11.961 1.868 1.923 1.00 64.32 H new ATOM 0 HD22 ASN A 659 -10.577 2.886 1.512 1.00 64.32 H new ATOM 1146 N ALA A 660 -10.398 2.546 6.293 1.00 52.14 N ATOM 1147 CA ALA A 660 -9.966 1.302 6.905 1.00 30.22 C ATOM 1148 C ALA A 660 -10.771 0.161 6.370 1.00 42.32 C ATOM 1149 O ALA A 660 -10.553 -0.980 6.729 1.00 63.52 O ATOM 1150 CB ALA A 660 -10.093 1.356 8.424 1.00 45.21 C ATOM 0 H ALA A 660 -11.375 2.785 6.463 1.00 52.14 H new ATOM 0 HA ALA A 660 -8.915 1.154 6.657 1.00 30.22 H new ATOM 0 HB1 ALA A 660 -9.762 0.409 8.851 1.00 45.21 H new ATOM 0 HB2 ALA A 660 -9.475 2.165 8.812 1.00 45.21 H new ATOM 0 HB3 ALA A 660 -11.134 1.532 8.696 1.00 45.21 H new ATOM 1156 N LYS A 661 -11.699 0.470 5.495 1.00 22.14 N ATOM 1157 CA LYS A 661 -12.569 -0.536 4.961 1.00 23.45 C ATOM 1158 C LYS A 661 -11.797 -1.373 3.943 1.00 51.31 C ATOM 1159 O LYS A 661 -11.503 -0.903 2.841 1.00 50.04 O ATOM 1160 CB LYS A 661 -13.800 0.094 4.279 1.00 21.41 C ATOM 1161 CG LYS A 661 -14.535 1.160 5.080 1.00 42.01 C ATOM 1162 CD LYS A 661 -14.968 0.679 6.439 1.00 43.31 C ATOM 1163 CE LYS A 661 -15.840 1.720 7.101 1.00 11.50 C ATOM 1164 NZ LYS A 661 -16.311 1.314 8.445 1.00 54.21 N ATOM 0 H LYS A 661 -11.866 1.412 5.141 1.00 22.14 H new ATOM 0 HA LYS A 661 -12.919 -1.163 5.781 1.00 23.45 H new ATOM 0 HB2 LYS A 661 -13.482 0.533 3.334 1.00 21.41 H new ATOM 0 HB3 LYS A 661 -14.505 -0.702 4.039 1.00 21.41 H new ATOM 0 HG2 LYS A 661 -13.888 2.029 5.197 1.00 42.01 H new ATOM 0 HG3 LYS A 661 -15.411 1.488 4.520 1.00 42.01 H new ATOM 0 HD2 LYS A 661 -15.515 -0.259 6.345 1.00 43.31 H new ATOM 0 HD3 LYS A 661 -14.094 0.477 7.058 1.00 43.31 H new ATOM 0 HE2 LYS A 661 -15.282 2.653 7.185 1.00 11.50 H new ATOM 0 HE3 LYS A 661 -16.703 1.920 6.465 1.00 11.50 H new ATOM 0 HZ1 LYS A 661 -17.046 1.974 8.769 1.00 54.21 H new ATOM 0 HZ2 LYS A 661 -16.705 0.352 8.399 1.00 54.21 H new ATOM 0 HZ3 LYS A 661 -15.513 1.330 9.112 1.00 54.21 H new ATOM 1178 N LEU A 662 -11.447 -2.579 4.324 1.00 12.13 N ATOM 1179 CA LEU A 662 -10.753 -3.493 3.428 1.00 71.34 C ATOM 1180 C LEU A 662 -11.764 -4.193 2.561 1.00 74.41 C ATOM 1181 O LEU A 662 -12.872 -4.478 3.010 1.00 51.24 O ATOM 1182 CB LEU A 662 -9.969 -4.560 4.211 1.00 62.05 C ATOM 1183 CG LEU A 662 -8.779 -4.114 5.056 1.00 43.43 C ATOM 1184 CD1 LEU A 662 -8.175 -5.316 5.751 1.00 32.11 C ATOM 1185 CD2 LEU A 662 -7.730 -3.457 4.195 1.00 62.21 C ATOM 0 H LEU A 662 -11.630 -2.958 5.253 1.00 12.13 H new ATOM 0 HA LEU A 662 -10.053 -2.911 2.828 1.00 71.34 H new ATOM 0 HB2 LEU A 662 -10.671 -5.070 4.870 1.00 62.05 H new ATOM 0 HB3 LEU A 662 -9.609 -5.299 3.495 1.00 62.05 H new ATOM 0 HG LEU A 662 -9.128 -3.392 5.795 1.00 43.43 H new ATOM 0 HD11 LEU A 662 -7.325 -4.998 6.355 1.00 32.11 H new ATOM 0 HD12 LEU A 662 -8.924 -5.779 6.394 1.00 32.11 H new ATOM 0 HD13 LEU A 662 -7.841 -6.038 5.005 1.00 32.11 H new ATOM 0 HD21 LEU A 662 -6.891 -3.147 4.817 1.00 62.21 H new ATOM 0 HD22 LEU A 662 -7.382 -4.164 3.442 1.00 62.21 H new ATOM 0 HD23 LEU A 662 -8.158 -2.584 3.702 1.00 62.21 H new ATOM 1193 N SER A 663 -11.404 -4.465 1.344 1.00 30.30 N ATOM 1194 CA SER A 663 -12.284 -5.143 0.446 1.00 1.02 C ATOM 1195 C SER A 663 -11.701 -6.487 0.058 1.00 72.51 C ATOM 1196 O SER A 663 -10.533 -6.598 -0.320 1.00 65.25 O ATOM 1197 CB SER A 663 -12.559 -4.287 -0.785 1.00 14.10 C ATOM 1198 OG SER A 663 -13.147 -3.047 -0.411 1.00 21.04 O ATOM 0 H SER A 663 -10.496 -4.224 0.948 1.00 30.30 H new ATOM 0 HA SER A 663 -13.235 -5.316 0.950 1.00 1.02 H new ATOM 0 HB2 SER A 663 -11.629 -4.107 -1.324 1.00 14.10 H new ATOM 0 HB3 SER A 663 -13.224 -4.821 -1.465 1.00 14.10 H new ATOM 0 HG SER A 663 -13.315 -2.510 -1.213 1.00 21.04 H new ATOM 1204 N TYR A 664 -12.480 -7.492 0.169 1.00 25.54 N ATOM 1205 CA TYR A 664 -12.039 -8.788 -0.179 1.00 32.33 C ATOM 1206 C TYR A 664 -12.850 -9.224 -1.372 1.00 14.15 C ATOM 1207 O TYR A 664 -14.087 -9.083 -1.387 1.00 65.20 O ATOM 1208 CB TYR A 664 -12.259 -9.752 0.987 1.00 22.52 C ATOM 1209 CG TYR A 664 -11.407 -11.015 0.963 1.00 73.53 C ATOM 1210 CD1 TYR A 664 -11.368 -11.870 -0.140 1.00 73.20 C ATOM 1211 CD2 TYR A 664 -10.625 -11.337 2.058 1.00 15.04 C ATOM 1212 CE1 TYR A 664 -10.581 -13.002 -0.135 1.00 12.12 C ATOM 1213 CE2 TYR A 664 -9.843 -12.460 2.067 1.00 1.23 C ATOM 1214 CZ TYR A 664 -9.821 -13.290 0.974 1.00 50.42 C ATOM 1215 OH TYR A 664 -9.031 -14.420 0.994 1.00 3.24 O ATOM 0 H TYR A 664 -13.442 -7.442 0.504 1.00 25.54 H new ATOM 0 HA TYR A 664 -10.974 -8.785 -0.412 1.00 32.33 H new ATOM 0 HB2 TYR A 664 -12.063 -9.220 1.918 1.00 22.52 H new ATOM 0 HB3 TYR A 664 -13.309 -10.043 1.002 1.00 22.52 H new ATOM 0 HD1 TYR A 664 -11.964 -11.641 -1.011 1.00 73.20 H new ATOM 0 HD2 TYR A 664 -10.632 -10.690 2.922 1.00 15.04 H new ATOM 0 HE1 TYR A 664 -10.562 -13.656 -0.994 1.00 12.12 H new ATOM 0 HE2 TYR A 664 -9.243 -12.693 2.934 1.00 1.23 H new ATOM 0 HH TYR A 664 -8.608 -14.508 1.874 1.00 3.24 H new ATOM 1225 N TYR A 665 -12.163 -9.674 -2.369 1.00 64.40 N ATOM 1226 CA TYR A 665 -12.754 -10.197 -3.558 1.00 21.12 C ATOM 1227 C TYR A 665 -12.177 -11.551 -3.723 1.00 41.42 C ATOM 1228 O TYR A 665 -10.985 -11.710 -3.449 1.00 35.23 O ATOM 1229 CB TYR A 665 -12.405 -9.319 -4.754 1.00 15.11 C ATOM 1230 CG TYR A 665 -12.932 -7.939 -4.592 1.00 61.51 C ATOM 1231 CD1 TYR A 665 -14.272 -7.703 -4.713 1.00 4.30 C ATOM 1232 CD2 TYR A 665 -12.098 -6.875 -4.297 1.00 45.40 C ATOM 1233 CE1 TYR A 665 -14.789 -6.460 -4.549 1.00 21.32 C ATOM 1234 CE2 TYR A 665 -12.604 -5.609 -4.132 1.00 70.12 C ATOM 1235 CZ TYR A 665 -13.957 -5.404 -4.259 1.00 31.21 C ATOM 1236 OH TYR A 665 -14.483 -4.144 -4.090 1.00 73.12 O ATOM 0 H TYR A 665 -11.143 -9.689 -2.380 1.00 64.40 H new ATOM 0 HA TYR A 665 -13.842 -10.227 -3.492 1.00 21.12 H new ATOM 0 HB2 TYR A 665 -11.322 -9.284 -4.876 1.00 15.11 H new ATOM 0 HB3 TYR A 665 -12.814 -9.761 -5.662 1.00 15.11 H new ATOM 0 HD1 TYR A 665 -14.934 -8.524 -4.944 1.00 4.30 H new ATOM 0 HD2 TYR A 665 -11.036 -7.042 -4.195 1.00 45.40 H new ATOM 0 HE1 TYR A 665 -15.853 -6.300 -4.646 1.00 21.32 H new ATOM 0 HE2 TYR A 665 -11.946 -4.783 -3.905 1.00 70.12 H new ATOM 0 HH TYR A 665 -13.761 -3.512 -3.889 1.00 73.12 H new ATOM 1246 N ASP A 666 -12.983 -12.523 -4.141 1.00 51.42 N ATOM 1247 CA ASP A 666 -12.528 -13.929 -4.222 1.00 24.30 C ATOM 1248 C ASP A 666 -11.141 -14.041 -4.844 1.00 62.15 C ATOM 1249 O ASP A 666 -10.916 -13.632 -5.991 1.00 62.50 O ATOM 1250 CB ASP A 666 -13.535 -14.793 -4.990 1.00 1.12 C ATOM 1251 CG ASP A 666 -13.071 -16.230 -5.142 1.00 53.24 C ATOM 1252 OD1 ASP A 666 -13.101 -16.984 -4.158 1.00 61.02 O ATOM 1253 OD2 ASP A 666 -12.656 -16.624 -6.257 1.00 44.23 O ATOM 0 H ASP A 666 -13.950 -12.376 -4.430 1.00 51.42 H new ATOM 0 HA ASP A 666 -12.463 -14.303 -3.200 1.00 24.30 H new ATOM 0 HB2 ASP A 666 -14.493 -14.777 -4.471 1.00 1.12 H new ATOM 0 HB3 ASP A 666 -13.700 -14.362 -5.977 1.00 1.12 H new ATOM 1258 N GLY A 667 -10.220 -14.575 -4.070 1.00 21.04 N ATOM 1259 CA GLY A 667 -8.859 -14.668 -4.492 1.00 50.42 C ATOM 1260 C GLY A 667 -7.910 -14.094 -3.458 1.00 72.33 C ATOM 1261 O GLY A 667 -7.179 -14.847 -2.811 1.00 71.31 O ATOM 0 H GLY A 667 -10.402 -14.951 -3.140 1.00 21.04 H new ATOM 0 HA2 GLY A 667 -8.606 -15.712 -4.678 1.00 50.42 H new ATOM 0 HA3 GLY A 667 -8.734 -14.137 -5.435 1.00 50.42 H new ATOM 1265 N MET A 668 -7.960 -12.767 -3.263 1.00 65.23 N ATOM 1266 CA MET A 668 -7.044 -12.034 -2.356 1.00 24.12 C ATOM 1267 C MET A 668 -7.716 -10.761 -1.818 1.00 22.51 C ATOM 1268 O MET A 668 -8.904 -10.525 -2.045 1.00 35.45 O ATOM 1269 CB MET A 668 -5.720 -11.652 -3.075 1.00 44.51 C ATOM 1270 CG MET A 668 -4.780 -12.816 -3.469 1.00 2.14 C ATOM 1271 SD MET A 668 -3.714 -13.486 -2.132 1.00 5.45 S ATOM 1272 CE MET A 668 -4.868 -14.065 -0.898 1.00 75.10 C ATOM 0 H MET A 668 -8.638 -12.164 -3.729 1.00 65.23 H new ATOM 0 HA MET A 668 -6.811 -12.700 -1.525 1.00 24.12 H new ATOM 0 HB2 MET A 668 -5.972 -11.098 -3.979 1.00 44.51 H new ATOM 0 HB3 MET A 668 -5.166 -10.972 -2.428 1.00 44.51 H new ATOM 0 HG2 MET A 668 -5.389 -13.630 -3.862 1.00 2.14 H new ATOM 0 HG3 MET A 668 -4.138 -12.477 -4.282 1.00 2.14 H new ATOM 0 HE1 MET A 668 -4.331 -14.626 -0.133 1.00 75.10 H new ATOM 0 HE2 MET A 668 -5.368 -13.212 -0.439 1.00 75.10 H new ATOM 0 HE3 MET A 668 -5.610 -14.711 -1.368 1.00 75.10 H new ATOM 1282 N ILE A 669 -6.954 -9.946 -1.120 1.00 11.20 N ATOM 1283 CA ILE A 669 -7.476 -8.739 -0.499 1.00 12.13 C ATOM 1284 C ILE A 669 -7.041 -7.512 -1.306 1.00 23.11 C ATOM 1285 O ILE A 669 -5.907 -7.445 -1.772 1.00 13.45 O ATOM 1286 CB ILE A 669 -6.933 -8.593 0.954 1.00 11.00 C ATOM 1287 CG1 ILE A 669 -7.215 -9.866 1.762 1.00 15.40 C ATOM 1288 CG2 ILE A 669 -7.561 -7.378 1.648 1.00 4.30 C ATOM 1289 CD1 ILE A 669 -6.615 -9.856 3.150 1.00 22.44 C ATOM 0 H ILE A 669 -5.957 -10.097 -0.965 1.00 11.20 H new ATOM 0 HA ILE A 669 -8.563 -8.810 -0.476 1.00 12.13 H new ATOM 0 HB ILE A 669 -5.855 -8.443 0.901 1.00 11.00 H new ATOM 0 HG12 ILE A 669 -8.293 -10.001 1.844 1.00 15.40 H new ATOM 0 HG13 ILE A 669 -6.827 -10.725 1.215 1.00 15.40 H new ATOM 0 HG21 ILE A 669 -7.168 -7.294 2.661 1.00 4.30 H new ATOM 0 HG22 ILE A 669 -7.318 -6.474 1.089 1.00 4.30 H new ATOM 0 HG23 ILE A 669 -8.643 -7.501 1.687 1.00 4.30 H new ATOM 0 HD11 ILE A 669 -6.858 -10.789 3.658 1.00 22.44 H new ATOM 0 HD12 ILE A 669 -5.532 -9.753 3.078 1.00 22.44 H new ATOM 0 HD13 ILE A 669 -7.022 -9.018 3.716 1.00 22.44 H new ATOM 1296 N GLN A 670 -7.941 -6.574 -1.484 1.00 23.31 N ATOM 1297 CA GLN A 670 -7.642 -5.320 -2.153 1.00 62.21 C ATOM 1298 C GLN A 670 -8.186 -4.169 -1.324 1.00 43.14 C ATOM 1299 O GLN A 670 -9.262 -4.265 -0.756 1.00 65.10 O ATOM 1300 CB GLN A 670 -8.209 -5.282 -3.583 1.00 34.20 C ATOM 1301 CG GLN A 670 -7.520 -6.230 -4.568 1.00 53.43 C ATOM 1302 CD GLN A 670 -8.171 -6.274 -5.939 1.00 62.41 C ATOM 1303 OE1 GLN A 670 -7.508 -6.512 -6.932 1.00 43.13 O ATOM 1304 NE2 GLN A 670 -9.458 -6.049 -6.006 1.00 13.43 N ATOM 0 H GLN A 670 -8.908 -6.655 -1.169 1.00 23.31 H new ATOM 0 HA GLN A 670 -6.560 -5.226 -2.242 1.00 62.21 H new ATOM 0 HB2 GLN A 670 -9.270 -5.527 -3.545 1.00 34.20 H new ATOM 0 HB3 GLN A 670 -8.130 -4.264 -3.964 1.00 34.20 H new ATOM 0 HG2 GLN A 670 -6.479 -5.927 -4.681 1.00 53.43 H new ATOM 0 HG3 GLN A 670 -7.515 -7.235 -4.147 1.00 53.43 H new ATOM 0 HE21 GLN A 670 -9.986 -5.852 -5.156 1.00 13.43 H new ATOM 0 HE22 GLN A 670 -9.933 -6.070 -6.908 1.00 13.43 H new ATOM 1312 N LEU A 671 -7.458 -3.099 -1.235 1.00 50.04 N ATOM 1313 CA LEU A 671 -7.918 -1.980 -0.434 1.00 72.45 C ATOM 1314 C LEU A 671 -8.084 -0.787 -1.330 1.00 43.13 C ATOM 1315 O LEU A 671 -7.150 -0.390 -2.008 1.00 5.15 O ATOM 1316 CB LEU A 671 -6.918 -1.694 0.726 1.00 54.33 C ATOM 1317 CG LEU A 671 -7.335 -0.727 1.888 1.00 74.40 C ATOM 1318 CD1 LEU A 671 -6.208 -0.612 2.899 1.00 31.34 C ATOM 1319 CD2 LEU A 671 -7.718 0.660 1.416 1.00 2.23 C ATOM 0 H LEU A 671 -6.557 -2.966 -1.694 1.00 50.04 H new ATOM 0 HA LEU A 671 -8.879 -2.215 0.024 1.00 72.45 H new ATOM 0 HB2 LEU A 671 -6.659 -2.652 1.176 1.00 54.33 H new ATOM 0 HB3 LEU A 671 -6.007 -1.294 0.280 1.00 54.33 H new ATOM 0 HG LEU A 671 -8.222 -1.168 2.342 1.00 74.40 H new ATOM 0 HD11 LEU A 671 -6.507 0.062 3.702 1.00 31.34 H new ATOM 0 HD12 LEU A 671 -5.989 -1.596 3.313 1.00 31.34 H new ATOM 0 HD13 LEU A 671 -5.318 -0.219 2.408 1.00 31.34 H new ATOM 0 HD21 LEU A 671 -7.995 1.273 2.274 1.00 2.23 H new ATOM 0 HD22 LEU A 671 -6.872 1.116 0.902 1.00 2.23 H new ATOM 0 HD23 LEU A 671 -8.564 0.591 0.732 1.00 2.23 H new ATOM 1327 N THR A 672 -9.266 -0.235 -1.318 1.00 21.34 N ATOM 1328 CA THR A 672 -9.621 0.881 -2.142 1.00 34.13 C ATOM 1329 C THR A 672 -9.690 2.131 -1.271 1.00 54.52 C ATOM 1330 O THR A 672 -10.403 2.151 -0.292 1.00 75.13 O ATOM 1331 CB THR A 672 -11.042 0.659 -2.734 1.00 42.11 C ATOM 1332 OG1 THR A 672 -11.165 -0.681 -3.245 1.00 2.02 O ATOM 1333 CG2 THR A 672 -11.311 1.642 -3.865 1.00 11.41 C ATOM 0 H THR A 672 -10.026 -0.559 -0.719 1.00 21.34 H new ATOM 0 HA THR A 672 -8.883 0.987 -2.937 1.00 34.13 H new ATOM 0 HB THR A 672 -11.767 0.818 -1.936 1.00 42.11 H new ATOM 0 HG1 THR A 672 -12.064 -0.809 -3.613 1.00 2.02 H new ATOM 0 HG21 THR A 672 -12.310 1.471 -4.266 1.00 11.41 H new ATOM 0 HG22 THR A 672 -11.242 2.661 -3.485 1.00 11.41 H new ATOM 0 HG23 THR A 672 -10.574 1.499 -4.655 1.00 11.41 H new ATOM 1339 N TYR A 673 -8.960 3.147 -1.602 1.00 12.12 N ATOM 1340 CA TYR A 673 -9.090 4.391 -0.876 1.00 14.44 C ATOM 1341 C TYR A 673 -10.060 5.315 -1.561 1.00 24.32 C ATOM 1342 O TYR A 673 -10.513 5.038 -2.673 1.00 1.25 O ATOM 1343 CB TYR A 673 -7.763 5.070 -0.595 1.00 0.31 C ATOM 1344 CG TYR A 673 -6.995 4.483 0.557 1.00 12.12 C ATOM 1345 CD1 TYR A 673 -7.375 4.784 1.848 1.00 1.22 C ATOM 1346 CD2 TYR A 673 -5.910 3.639 0.373 1.00 31.42 C ATOM 1347 CE1 TYR A 673 -6.713 4.273 2.927 1.00 54.40 C ATOM 1348 CE2 TYR A 673 -5.234 3.112 1.463 1.00 21.33 C ATOM 1349 CZ TYR A 673 -5.651 3.442 2.740 1.00 13.33 C ATOM 1350 OH TYR A 673 -5.016 2.927 3.827 1.00 54.22 O ATOM 0 H TYR A 673 -8.274 3.152 -2.357 1.00 12.12 H new ATOM 0 HA TYR A 673 -9.496 4.135 0.103 1.00 14.44 H new ATOM 0 HB2 TYR A 673 -7.145 5.018 -1.492 1.00 0.31 H new ATOM 0 HB3 TYR A 673 -7.945 6.126 -0.394 1.00 0.31 H new ATOM 0 HD1 TYR A 673 -8.217 5.440 2.009 1.00 1.22 H new ATOM 0 HD2 TYR A 673 -5.589 3.390 -0.628 1.00 31.42 H new ATOM 0 HE1 TYR A 673 -7.031 4.528 3.927 1.00 54.40 H new ATOM 0 HE2 TYR A 673 -4.392 2.452 1.317 1.00 21.33 H new ATOM 0 HH TYR A 673 -4.050 3.067 3.739 1.00 54.22 H new ATOM 1360 N ARG A 674 -10.379 6.408 -0.907 1.00 44.32 N ATOM 1361 CA ARG A 674 -11.439 7.274 -1.357 1.00 21.34 C ATOM 1362 C ARG A 674 -10.974 8.366 -2.286 1.00 53.21 C ATOM 1363 O ARG A 674 -9.817 8.445 -2.607 1.00 62.43 O ATOM 1364 CB ARG A 674 -12.250 7.792 -0.194 1.00 21.11 C ATOM 1365 CG ARG A 674 -12.837 6.683 0.661 1.00 62.41 C ATOM 1366 CD ARG A 674 -13.676 5.706 -0.169 1.00 21.13 C ATOM 1367 NE ARG A 674 -14.230 4.613 0.636 1.00 53.21 N ATOM 1368 CZ ARG A 674 -14.516 3.380 0.164 1.00 51.42 C ATOM 1369 NH1 ARG A 674 -14.248 3.064 -1.105 1.00 33.41 N ATOM 1370 NH2 ARG A 674 -15.074 2.470 0.965 1.00 32.32 N ATOM 0 H ARG A 674 -9.914 6.719 -0.054 1.00 44.32 H new ATOM 0 HA ARG A 674 -12.103 6.663 -1.968 1.00 21.34 H new ATOM 0 HB2 ARG A 674 -11.619 8.427 0.428 1.00 21.11 H new ATOM 0 HB3 ARG A 674 -13.058 8.418 -0.572 1.00 21.11 H new ATOM 0 HG2 ARG A 674 -12.031 6.140 1.155 1.00 62.41 H new ATOM 0 HG3 ARG A 674 -13.456 7.118 1.445 1.00 62.41 H new ATOM 0 HD2 ARG A 674 -14.491 6.249 -0.648 1.00 21.13 H new ATOM 0 HD3 ARG A 674 -13.059 5.289 -0.965 1.00 21.13 H new ATOM 0 HE ARG A 674 -14.412 4.797 1.623 1.00 53.21 H new ATOM 0 HH11 ARG A 674 -13.825 3.755 -1.724 1.00 33.41 H new ATOM 0 HH12 ARG A 674 -14.466 2.131 -1.455 1.00 33.41 H new ATOM 0 HH21 ARG A 674 -15.285 2.705 1.935 1.00 32.32 H new ATOM 0 HH22 ARG A 674 -15.289 1.539 0.607 1.00 32.32 H new ATOM 1382 N ASP A 675 -11.914 9.194 -2.691 1.00 31.32 N ATOM 1383 CA ASP A 675 -11.761 10.233 -3.731 1.00 43.20 C ATOM 1384 C ASP A 675 -10.518 11.132 -3.543 1.00 35.22 C ATOM 1385 O ASP A 675 -9.854 11.472 -4.518 1.00 60.41 O ATOM 1386 CB ASP A 675 -13.022 11.119 -3.692 1.00 54.33 C ATOM 1387 CG ASP A 675 -13.152 11.901 -2.390 1.00 32.31 C ATOM 1388 OD1 ASP A 675 -13.377 11.280 -1.329 1.00 41.32 O ATOM 1389 OD2 ASP A 675 -12.974 13.134 -2.400 1.00 51.31 O ATOM 0 H ASP A 675 -12.854 9.174 -2.297 1.00 31.32 H new ATOM 0 HA ASP A 675 -11.629 9.724 -4.686 1.00 43.20 H new ATOM 0 HB2 ASP A 675 -12.997 11.817 -4.529 1.00 54.33 H new ATOM 0 HB3 ASP A 675 -13.905 10.494 -3.825 1.00 54.33 H new ATOM 1394 N GLY A 676 -10.223 11.487 -2.309 1.00 65.41 N ATOM 1395 CA GLY A 676 -9.042 12.292 -1.987 1.00 44.41 C ATOM 1396 C GLY A 676 -8.949 13.576 -2.806 1.00 51.12 C ATOM 1397 O GLY A 676 -9.759 14.489 -2.642 1.00 52.43 O ATOM 0 H GLY A 676 -10.787 11.232 -1.498 1.00 65.41 H new ATOM 0 HA2 GLY A 676 -9.061 12.545 -0.927 1.00 44.41 H new ATOM 0 HA3 GLY A 676 -8.146 11.695 -2.156 1.00 44.41 H new ATOM 1401 N THR A 677 -7.979 13.628 -3.686 1.00 13.42 N ATOM 1402 CA THR A 677 -7.760 14.755 -4.546 1.00 72.05 C ATOM 1403 C THR A 677 -7.820 14.298 -6.022 1.00 73.10 C ATOM 1404 O THR A 677 -7.276 13.255 -6.367 1.00 74.51 O ATOM 1405 CB THR A 677 -6.387 15.410 -4.222 1.00 54.32 C ATOM 1406 OG1 THR A 677 -6.421 15.966 -2.899 1.00 2.22 O ATOM 1407 CG2 THR A 677 -5.990 16.487 -5.223 1.00 14.12 C ATOM 0 H THR A 677 -7.309 12.871 -3.824 1.00 13.42 H new ATOM 0 HA THR A 677 -8.539 15.499 -4.381 1.00 72.05 H new ATOM 0 HB THR A 677 -5.634 14.625 -4.287 1.00 54.32 H new ATOM 0 HG1 THR A 677 -5.555 16.377 -2.695 1.00 2.22 H new ATOM 0 HG21 THR A 677 -5.023 16.906 -4.943 1.00 14.12 H new ATOM 0 HG22 THR A 677 -5.921 16.050 -6.219 1.00 14.12 H new ATOM 0 HG23 THR A 677 -6.741 17.277 -5.224 1.00 14.12 H new ATOM 1413 N PRO A 678 -8.518 15.045 -6.897 1.00 51.40 N ATOM 1414 CA PRO A 678 -8.630 14.718 -8.317 1.00 61.43 C ATOM 1415 C PRO A 678 -7.317 14.905 -9.090 1.00 11.11 C ATOM 1416 O PRO A 678 -6.437 15.651 -8.650 1.00 63.12 O ATOM 1417 CB PRO A 678 -9.716 15.660 -8.816 1.00 62.34 C ATOM 1418 CG PRO A 678 -9.579 16.844 -7.936 1.00 33.43 C ATOM 1419 CD PRO A 678 -9.283 16.275 -6.575 1.00 52.43 C ATOM 0 HA PRO A 678 -8.868 13.665 -8.470 1.00 61.43 H new ATOM 0 HB2 PRO A 678 -9.571 15.920 -9.864 1.00 62.34 H new ATOM 0 HB3 PRO A 678 -10.706 15.211 -8.733 1.00 62.34 H new ATOM 0 HG2 PRO A 678 -8.776 17.499 -8.275 1.00 33.43 H new ATOM 0 HG3 PRO A 678 -10.493 17.439 -7.927 1.00 33.43 H new ATOM 0 HD2 PRO A 678 -8.701 16.966 -5.965 1.00 52.43 H new ATOM 0 HD3 PRO A 678 -10.195 16.052 -6.022 1.00 52.43 H new ATOM 1427 N TYR A 679 -7.183 14.158 -10.211 1.00 65.25 N ATOM 1428 CA TYR A 679 -5.984 14.184 -11.100 1.00 71.54 C ATOM 1429 C TYR A 679 -5.463 15.605 -11.350 1.00 41.41 C ATOM 1430 O TYR A 679 -4.604 16.099 -10.633 1.00 15.50 O ATOM 1431 CB TYR A 679 -6.271 13.554 -12.487 1.00 74.10 C ATOM 1432 CG TYR A 679 -6.488 12.058 -12.582 1.00 23.43 C ATOM 1433 CD1 TYR A 679 -7.634 11.453 -12.107 1.00 0.54 C ATOM 1434 CD2 TYR A 679 -5.553 11.265 -13.227 1.00 33.24 C ATOM 1435 CE1 TYR A 679 -7.843 10.098 -12.270 1.00 11.32 C ATOM 1436 CE2 TYR A 679 -5.745 9.912 -13.383 1.00 41.34 C ATOM 1437 CZ TYR A 679 -6.890 9.333 -12.908 1.00 53.35 C ATOM 1438 OH TYR A 679 -7.107 7.991 -13.099 1.00 44.34 O ATOM 0 H TYR A 679 -7.906 13.514 -10.531 1.00 65.25 H new ATOM 0 HA TYR A 679 -5.233 13.602 -10.565 1.00 71.54 H new ATOM 0 HB2 TYR A 679 -7.157 14.042 -12.893 1.00 74.10 H new ATOM 0 HB3 TYR A 679 -5.438 13.808 -13.143 1.00 74.10 H new ATOM 0 HD1 TYR A 679 -8.379 12.049 -11.600 1.00 0.54 H new ATOM 0 HD2 TYR A 679 -4.654 11.719 -13.616 1.00 33.24 H new ATOM 0 HE1 TYR A 679 -8.748 9.640 -11.900 1.00 11.32 H new ATOM 0 HE2 TYR A 679 -4.997 9.310 -13.877 1.00 41.34 H new ATOM 0 HH TYR A 679 -6.280 7.567 -13.411 1.00 44.34 H new ATOM 1533 N THR A 685 -11.380 14.504 -11.872 1.00 74.10 N ATOM 1534 CA THR A 685 -11.648 13.148 -11.503 1.00 11.32 C ATOM 1535 C THR A 685 -10.830 12.752 -10.276 1.00 64.11 C ATOM 1536 O THR A 685 -9.604 12.842 -10.306 1.00 50.22 O ATOM 1537 CB THR A 685 -11.276 12.224 -12.662 1.00 14.21 C ATOM 1538 OG1 THR A 685 -12.045 12.576 -13.819 1.00 1.31 O ATOM 1539 CG2 THR A 685 -11.524 10.790 -12.288 1.00 72.42 C ATOM 0 HA THR A 685 -12.709 13.056 -11.270 1.00 11.32 H new ATOM 0 HB THR A 685 -10.216 12.341 -12.886 1.00 14.21 H new ATOM 0 HG1 THR A 685 -12.130 13.551 -13.871 1.00 1.31 H new ATOM 0 HG21 THR A 685 -11.254 10.144 -13.124 1.00 72.42 H new ATOM 0 HG22 THR A 685 -10.919 10.531 -11.419 1.00 72.42 H new ATOM 0 HG23 THR A 685 -12.579 10.653 -12.050 1.00 72.42 H new ATOM 1545 N PRO A 686 -11.492 12.330 -9.183 1.00 41.42 N ATOM 1546 CA PRO A 686 -10.811 11.905 -7.957 1.00 3.33 C ATOM 1547 C PRO A 686 -9.908 10.698 -8.195 1.00 34.44 C ATOM 1548 O PRO A 686 -10.242 9.794 -8.982 1.00 1.41 O ATOM 1549 CB PRO A 686 -11.953 11.535 -7.009 1.00 14.03 C ATOM 1550 CG PRO A 686 -13.134 11.324 -7.883 1.00 63.42 C ATOM 1551 CD PRO A 686 -12.953 12.224 -9.060 1.00 42.12 C ATOM 0 HA PRO A 686 -10.160 12.686 -7.565 1.00 3.33 H new ATOM 0 HB2 PRO A 686 -11.717 10.634 -6.442 1.00 14.03 H new ATOM 0 HB3 PRO A 686 -12.136 12.329 -6.285 1.00 14.03 H new ATOM 0 HG2 PRO A 686 -13.203 10.283 -8.197 1.00 63.42 H new ATOM 0 HG3 PRO A 686 -14.057 11.559 -7.353 1.00 63.42 H new ATOM 0 HD2 PRO A 686 -13.403 11.805 -9.960 1.00 42.12 H new ATOM 0 HD3 PRO A 686 -13.415 13.198 -8.897 1.00 42.12 H new ATOM 1559 N ARG A 687 -8.774 10.691 -7.540 1.00 11.10 N ATOM 1560 CA ARG A 687 -7.823 9.611 -7.671 1.00 53.24 C ATOM 1561 C ARG A 687 -8.182 8.526 -6.667 1.00 23.12 C ATOM 1562 O ARG A 687 -8.879 8.790 -5.683 1.00 3.41 O ATOM 1563 CB ARG A 687 -6.398 10.127 -7.399 1.00 64.34 C ATOM 1564 CG ARG A 687 -5.955 11.284 -8.302 1.00 4.32 C ATOM 1565 CD ARG A 687 -4.528 11.737 -7.981 1.00 40.24 C ATOM 1566 NE ARG A 687 -4.155 12.988 -8.684 1.00 31.13 N ATOM 1567 CZ ARG A 687 -2.915 13.293 -9.139 1.00 4.22 C ATOM 1568 NH1 ARG A 687 -1.940 12.407 -9.087 1.00 60.40 N ATOM 1569 NH2 ARG A 687 -2.679 14.481 -9.677 1.00 74.43 N ATOM 0 H ARG A 687 -8.483 11.431 -6.902 1.00 11.10 H new ATOM 0 HA ARG A 687 -7.857 9.208 -8.683 1.00 53.24 H new ATOM 0 HB2 ARG A 687 -6.335 10.450 -6.360 1.00 64.34 H new ATOM 0 HB3 ARG A 687 -5.697 9.301 -7.519 1.00 64.34 H new ATOM 0 HG2 ARG A 687 -6.013 10.974 -9.345 1.00 4.32 H new ATOM 0 HG3 ARG A 687 -6.640 12.123 -8.180 1.00 4.32 H new ATOM 0 HD2 ARG A 687 -4.431 11.886 -6.906 1.00 40.24 H new ATOM 0 HD3 ARG A 687 -3.829 10.947 -8.257 1.00 40.24 H new ATOM 0 HE ARG A 687 -4.892 13.676 -8.838 1.00 31.13 H new ATOM 0 HH11 ARG A 687 -2.114 11.479 -8.701 1.00 60.40 H new ATOM 0 HH12 ARG A 687 -1.012 12.649 -9.433 1.00 60.40 H new ATOM 0 HH21 ARG A 687 -3.431 15.167 -9.749 1.00 74.43 H new ATOM 0 HH22 ARG A 687 -1.746 14.710 -10.019 1.00 74.43 H new ATOM 1581 N ALA A 688 -7.758 7.323 -6.919 1.00 63.42 N ATOM 1582 CA ALA A 688 -8.004 6.252 -6.005 1.00 30.14 C ATOM 1583 C ALA A 688 -6.753 5.435 -5.857 1.00 13.30 C ATOM 1584 O ALA A 688 -5.886 5.479 -6.712 1.00 21.15 O ATOM 1585 CB ALA A 688 -9.144 5.380 -6.509 1.00 75.32 C ATOM 0 H ALA A 688 -7.237 7.060 -7.756 1.00 63.42 H new ATOM 0 HA ALA A 688 -8.288 6.661 -5.036 1.00 30.14 H new ATOM 0 HB1 ALA A 688 -9.321 4.568 -5.803 1.00 75.32 H new ATOM 0 HB2 ALA A 688 -10.048 5.982 -6.604 1.00 75.32 H new ATOM 0 HB3 ALA A 688 -8.881 4.964 -7.482 1.00 75.32 H new ATOM 1591 N THR A 689 -6.651 4.722 -4.789 1.00 55.33 N ATOM 1592 CA THR A 689 -5.540 3.842 -4.570 1.00 31.23 C ATOM 1593 C THR A 689 -6.078 2.473 -4.265 1.00 11.24 C ATOM 1594 O THR A 689 -6.996 2.342 -3.439 1.00 20.11 O ATOM 1595 CB THR A 689 -4.681 4.328 -3.385 1.00 21.11 C ATOM 1596 OG1 THR A 689 -4.260 5.657 -3.630 1.00 74.44 O ATOM 1597 CG2 THR A 689 -3.452 3.456 -3.201 1.00 72.31 C ATOM 0 H THR A 689 -7.337 4.728 -4.034 1.00 55.33 H new ATOM 0 HA THR A 689 -4.913 3.823 -5.461 1.00 31.23 H new ATOM 0 HB THR A 689 -5.287 4.274 -2.481 1.00 21.11 H new ATOM 0 HG1 THR A 689 -5.028 6.262 -3.559 1.00 74.44 H new ATOM 0 HG21 THR A 689 -2.867 3.824 -2.358 1.00 72.31 H new ATOM 0 HG22 THR A 689 -3.760 2.429 -3.007 1.00 72.31 H new ATOM 0 HG23 THR A 689 -2.845 3.488 -4.105 1.00 72.31 H new ATOM 1603 N LEU A 690 -5.579 1.478 -4.947 1.00 40.42 N ATOM 1604 CA LEU A 690 -5.962 0.147 -4.678 1.00 54.40 C ATOM 1605 C LEU A 690 -4.725 -0.653 -4.403 1.00 15.13 C ATOM 1606 O LEU A 690 -3.745 -0.596 -5.147 1.00 2.23 O ATOM 1607 CB LEU A 690 -6.725 -0.506 -5.820 1.00 44.30 C ATOM 1608 CG LEU A 690 -7.365 -1.840 -5.436 1.00 53.15 C ATOM 1609 CD1 LEU A 690 -8.540 -1.638 -4.535 1.00 32.25 C ATOM 1610 CD2 LEU A 690 -7.754 -2.653 -6.599 1.00 12.31 C ATOM 0 H LEU A 690 -4.898 1.582 -5.700 1.00 40.42 H new ATOM 0 HA LEU A 690 -6.635 0.169 -3.821 1.00 54.40 H new ATOM 0 HB2 LEU A 690 -7.502 0.176 -6.165 1.00 44.30 H new ATOM 0 HB3 LEU A 690 -6.046 -0.665 -6.658 1.00 44.30 H new ATOM 0 HG LEU A 690 -6.594 -2.395 -4.901 1.00 53.15 H new ATOM 0 HD11 LEU A 690 -8.973 -2.605 -4.280 1.00 32.25 H new ATOM 0 HD12 LEU A 690 -8.218 -1.133 -3.624 1.00 32.25 H new ATOM 0 HD13 LEU A 690 -9.287 -1.028 -5.043 1.00 32.25 H new ATOM 0 HD21 LEU A 690 -8.202 -3.586 -6.257 1.00 12.31 H new ATOM 0 HD22 LEU A 690 -8.477 -2.103 -7.202 1.00 12.31 H new ATOM 0 HD23 LEU A 690 -6.872 -2.873 -7.201 1.00 12.31 H new ATOM 1618 N ILE A 691 -4.758 -1.390 -3.370 1.00 63.31 N ATOM 1619 CA ILE A 691 -3.626 -2.169 -2.995 1.00 24.45 C ATOM 1620 C ILE A 691 -4.040 -3.610 -3.037 1.00 53.21 C ATOM 1621 O ILE A 691 -5.027 -3.974 -2.422 1.00 73.53 O ATOM 1622 CB ILE A 691 -3.063 -1.828 -1.564 1.00 52.54 C ATOM 1623 CG1 ILE A 691 -2.764 -0.313 -1.371 1.00 2.21 C ATOM 1624 CG2 ILE A 691 -1.802 -2.633 -1.282 1.00 4.31 C ATOM 1625 CD1 ILE A 691 -3.983 0.556 -1.126 1.00 14.12 C ATOM 0 H ILE A 691 -5.564 -1.480 -2.751 1.00 63.31 H new ATOM 0 HA ILE A 691 -2.819 -1.946 -3.693 1.00 24.45 H new ATOM 0 HB ILE A 691 -3.846 -2.098 -0.856 1.00 52.54 H new ATOM 0 HG12 ILE A 691 -2.080 -0.198 -0.531 1.00 2.21 H new ATOM 0 HG13 ILE A 691 -2.246 0.055 -2.257 1.00 2.21 H new ATOM 0 HG21 ILE A 691 -1.426 -2.385 -0.289 1.00 4.31 H new ATOM 0 HG22 ILE A 691 -2.032 -3.697 -1.327 1.00 4.31 H new ATOM 0 HG23 ILE A 691 -1.043 -2.394 -2.027 1.00 4.31 H new ATOM 0 HD11 ILE A 691 -3.672 1.593 -1.004 1.00 14.12 H new ATOM 0 HD12 ILE A 691 -4.662 0.478 -1.975 1.00 14.12 H new ATOM 0 HD13 ILE A 691 -4.493 0.222 -0.222 1.00 14.12 H new ATOM 1632 N THR A 692 -3.325 -4.399 -3.768 1.00 71.02 N ATOM 1633 CA THR A 692 -3.629 -5.774 -3.917 1.00 71.41 C ATOM 1634 C THR A 692 -2.680 -6.548 -3.021 1.00 45.13 C ATOM 1635 O THR A 692 -1.463 -6.492 -3.205 1.00 4.15 O ATOM 1636 CB THR A 692 -3.347 -6.169 -5.357 1.00 53.22 C ATOM 1637 OG1 THR A 692 -3.800 -5.113 -6.234 1.00 53.02 O ATOM 1638 CG2 THR A 692 -4.079 -7.444 -5.728 1.00 24.12 C ATOM 0 H THR A 692 -2.500 -4.096 -4.285 1.00 71.02 H new ATOM 0 HA THR A 692 -4.669 -5.978 -3.662 1.00 71.41 H new ATOM 0 HB THR A 692 -2.274 -6.332 -5.462 1.00 53.22 H new ATOM 0 HG1 THR A 692 -3.619 -5.361 -7.165 1.00 53.02 H new ATOM 0 HG21 THR A 692 -3.858 -7.702 -6.764 1.00 24.12 H new ATOM 0 HG22 THR A 692 -3.753 -8.254 -5.075 1.00 24.12 H new ATOM 0 HG23 THR A 692 -5.152 -7.294 -5.612 1.00 24.12 H new ATOM 1644 N PHE A 693 -3.215 -7.230 -2.074 1.00 73.22 N ATOM 1645 CA PHE A 693 -2.434 -7.974 -1.124 1.00 70.43 C ATOM 1646 C PHE A 693 -2.361 -9.400 -1.554 1.00 55.45 C ATOM 1647 O PHE A 693 -3.381 -10.074 -1.657 1.00 12.10 O ATOM 1648 CB PHE A 693 -3.067 -7.884 0.245 1.00 22.12 C ATOM 1649 CG PHE A 693 -3.147 -6.483 0.801 1.00 33.50 C ATOM 1650 CD1 PHE A 693 -4.104 -5.593 0.348 1.00 40.41 C ATOM 1651 CD2 PHE A 693 -2.276 -6.065 1.791 1.00 53.12 C ATOM 1652 CE1 PHE A 693 -4.190 -4.328 0.867 1.00 72.41 C ATOM 1653 CE2 PHE A 693 -2.356 -4.797 2.311 1.00 21.02 C ATOM 1654 CZ PHE A 693 -3.315 -3.930 1.849 1.00 53.52 C ATOM 0 H PHE A 693 -4.222 -7.295 -1.926 1.00 73.22 H new ATOM 0 HA PHE A 693 -1.428 -7.557 -1.076 1.00 70.43 H new ATOM 0 HB2 PHE A 693 -4.073 -8.301 0.195 1.00 22.12 H new ATOM 0 HB3 PHE A 693 -2.498 -8.505 0.937 1.00 22.12 H new ATOM 0 HD1 PHE A 693 -4.793 -5.899 -0.425 1.00 40.41 H new ATOM 0 HD2 PHE A 693 -1.523 -6.745 2.160 1.00 53.12 H new ATOM 0 HE1 PHE A 693 -4.944 -3.645 0.505 1.00 72.41 H new ATOM 0 HE2 PHE A 693 -1.667 -4.483 3.081 1.00 21.02 H new ATOM 0 HZ PHE A 693 -3.382 -2.933 2.258 1.00 53.52 H new ATOM 1664 N LEU A 694 -1.171 -9.854 -1.807 1.00 70.13 N ATOM 1665 CA LEU A 694 -0.959 -11.179 -2.285 1.00 51.31 C ATOM 1666 C LEU A 694 -0.198 -11.985 -1.265 1.00 22.34 C ATOM 1667 O LEU A 694 0.541 -11.434 -0.420 1.00 11.23 O ATOM 1668 CB LEU A 694 -0.183 -11.140 -3.601 1.00 24.13 C ATOM 1669 CG LEU A 694 -0.802 -10.290 -4.710 1.00 62.04 C ATOM 1670 CD1 LEU A 694 0.075 -10.287 -5.938 1.00 4.50 C ATOM 1671 CD2 LEU A 694 -2.203 -10.761 -5.059 1.00 33.40 C ATOM 0 H LEU A 694 -0.317 -9.309 -1.686 1.00 70.13 H new ATOM 0 HA LEU A 694 -1.927 -11.650 -2.455 1.00 51.31 H new ATOM 0 HB2 LEU A 694 0.821 -10.766 -3.399 1.00 24.13 H new ATOM 0 HB3 LEU A 694 -0.075 -12.161 -3.968 1.00 24.13 H new ATOM 0 HG LEU A 694 -0.877 -9.269 -4.335 1.00 62.04 H new ATOM 0 HD11 LEU A 694 -0.387 -9.675 -6.713 1.00 4.50 H new ATOM 0 HD12 LEU A 694 1.053 -9.876 -5.686 1.00 4.50 H new ATOM 0 HD13 LEU A 694 0.193 -11.307 -6.303 1.00 4.50 H new ATOM 0 HD21 LEU A 694 -2.611 -10.133 -5.851 1.00 33.40 H new ATOM 0 HD22 LEU A 694 -2.165 -11.796 -5.400 1.00 33.40 H new ATOM 0 HD23 LEU A 694 -2.840 -10.693 -4.177 1.00 33.40 H new ATOM 1679 N CYS A 695 -0.378 -13.260 -1.339 1.00 43.11 N ATOM 1680 CA CYS A 695 0.266 -14.204 -0.467 1.00 74.44 C ATOM 1681 C CYS A 695 1.739 -14.350 -0.784 1.00 12.31 C ATOM 1682 O CYS A 695 2.127 -14.651 -1.929 1.00 45.34 O ATOM 1683 CB CYS A 695 -0.414 -15.587 -0.548 1.00 21.12 C ATOM 1684 SG CYS A 695 0.507 -16.936 0.311 1.00 10.03 S ATOM 0 H CYS A 695 -0.994 -13.695 -2.026 1.00 43.11 H new ATOM 0 HA CYS A 695 0.168 -13.812 0.545 1.00 74.44 H new ATOM 0 HB2 CYS A 695 -1.413 -15.514 -0.118 1.00 21.12 H new ATOM 0 HB3 CYS A 695 -0.537 -15.858 -1.597 1.00 21.12 H new ATOM 1745 N GLY A 700 7.328 -10.487 5.460 1.00 1.31 N ATOM 1746 CA GLY A 700 7.097 -9.856 6.715 1.00 14.11 C ATOM 1747 C GLY A 700 5.900 -9.009 6.599 1.00 74.12 C ATOM 1748 O GLY A 700 4.811 -9.519 6.265 1.00 62.33 O ATOM 0 HA2 GLY A 700 6.957 -10.604 7.495 1.00 14.11 H new ATOM 0 HA3 GLY A 700 7.960 -9.255 7.001 1.00 14.11 H new ATOM 1752 N VAL A 701 6.061 -7.730 6.831 1.00 12.15 N ATOM 1753 CA VAL A 701 5.013 -6.823 6.621 1.00 43.34 C ATOM 1754 C VAL A 701 4.714 -6.715 5.143 1.00 23.43 C ATOM 1755 O VAL A 701 3.561 -6.705 4.739 1.00 41.11 O ATOM 1756 CB VAL A 701 5.291 -5.430 7.229 1.00 73.44 C ATOM 1757 CG1 VAL A 701 5.266 -5.481 8.736 1.00 71.20 C ATOM 1758 CG2 VAL A 701 6.609 -4.838 6.742 1.00 21.05 C ATOM 0 H VAL A 701 6.927 -7.311 7.169 1.00 12.15 H new ATOM 0 HA VAL A 701 4.139 -7.214 7.141 1.00 43.34 H new ATOM 0 HB VAL A 701 4.491 -4.774 6.886 1.00 73.44 H new ATOM 0 HG11 VAL A 701 5.465 -4.487 9.137 1.00 71.20 H new ATOM 0 HG12 VAL A 701 4.286 -5.819 9.072 1.00 71.20 H new ATOM 0 HG13 VAL A 701 6.029 -6.174 9.089 1.00 71.20 H new ATOM 0 HG21 VAL A 701 6.759 -3.859 7.198 1.00 21.05 H new ATOM 0 HG22 VAL A 701 7.430 -5.498 7.022 1.00 21.05 H new ATOM 0 HG23 VAL A 701 6.582 -4.733 5.657 1.00 21.05 H new ATOM 1764 N GLY A 702 5.747 -6.720 4.339 1.00 42.02 N ATOM 1765 CA GLY A 702 5.569 -6.603 2.956 1.00 62.31 C ATOM 1766 C GLY A 702 6.039 -5.285 2.414 1.00 61.12 C ATOM 1767 O GLY A 702 6.053 -4.265 3.104 1.00 44.11 O ATOM 0 H GLY A 702 6.717 -6.806 4.643 1.00 42.02 H new ATOM 0 HA2 GLY A 702 6.108 -7.408 2.456 1.00 62.31 H new ATOM 0 HA3 GLY A 702 4.513 -6.731 2.719 1.00 62.31 H new ATOM 1771 N PHE A 703 6.449 -5.335 1.210 1.00 0.52 N ATOM 1772 CA PHE A 703 6.870 -4.188 0.447 1.00 72.40 C ATOM 1773 C PHE A 703 5.882 -3.989 -0.696 1.00 21.20 C ATOM 1774 O PHE A 703 5.757 -4.860 -1.563 1.00 43.52 O ATOM 1775 CB PHE A 703 8.275 -4.410 -0.145 1.00 15.01 C ATOM 1776 CG PHE A 703 9.372 -4.624 0.864 1.00 34.22 C ATOM 1777 CD1 PHE A 703 9.677 -5.899 1.321 1.00 3.41 C ATOM 1778 CD2 PHE A 703 10.109 -3.552 1.343 1.00 33.44 C ATOM 1779 CE1 PHE A 703 10.693 -6.100 2.235 1.00 32.04 C ATOM 1780 CE2 PHE A 703 11.125 -3.746 2.259 1.00 4.12 C ATOM 1781 CZ PHE A 703 11.419 -5.022 2.705 1.00 73.01 C ATOM 0 H PHE A 703 6.511 -6.209 0.687 1.00 0.52 H new ATOM 0 HA PHE A 703 6.901 -3.315 1.099 1.00 72.40 H new ATOM 0 HB2 PHE A 703 8.240 -5.275 -0.808 1.00 15.01 H new ATOM 0 HB3 PHE A 703 8.533 -3.548 -0.760 1.00 15.01 H new ATOM 0 HD1 PHE A 703 9.112 -6.745 0.957 1.00 3.41 H new ATOM 0 HD2 PHE A 703 9.886 -2.554 0.996 1.00 33.44 H new ATOM 0 HE1 PHE A 703 10.920 -7.097 2.582 1.00 32.04 H new ATOM 0 HE2 PHE A 703 11.689 -2.902 2.627 1.00 4.12 H new ATOM 0 HZ PHE A 703 12.214 -5.176 3.419 1.00 73.01 H new ATOM 1791 N PRO A 704 5.112 -2.894 -0.686 1.00 15.42 N ATOM 1792 CA PRO A 704 4.194 -2.594 -1.780 1.00 63.21 C ATOM 1793 C PRO A 704 4.943 -2.203 -3.060 1.00 24.15 C ATOM 1794 O PRO A 704 5.973 -1.525 -3.016 1.00 42.53 O ATOM 1795 CB PRO A 704 3.383 -1.403 -1.255 1.00 74.02 C ATOM 1796 CG PRO A 704 4.241 -0.785 -0.203 1.00 21.13 C ATOM 1797 CD PRO A 704 5.037 -1.902 0.399 1.00 2.53 C ATOM 0 HA PRO A 704 3.581 -3.454 -2.048 1.00 63.21 H new ATOM 0 HB2 PRO A 704 3.163 -0.693 -2.052 1.00 74.02 H new ATOM 0 HB3 PRO A 704 2.427 -1.727 -0.844 1.00 74.02 H new ATOM 0 HG2 PRO A 704 4.897 -0.027 -0.632 1.00 21.13 H new ATOM 0 HG3 PRO A 704 3.633 -0.289 0.553 1.00 21.13 H new ATOM 0 HD2 PRO A 704 6.028 -1.568 0.707 1.00 2.53 H new ATOM 0 HD3 PRO A 704 4.549 -2.311 1.284 1.00 2.53 H new ATOM 1805 N GLU A 705 4.422 -2.630 -4.174 1.00 63.34 N ATOM 1806 CA GLU A 705 5.000 -2.354 -5.463 1.00 35.55 C ATOM 1807 C GLU A 705 4.023 -1.538 -6.276 1.00 13.33 C ATOM 1808 O GLU A 705 2.830 -1.763 -6.192 1.00 31.40 O ATOM 1809 CB GLU A 705 5.253 -3.673 -6.185 1.00 54.44 C ATOM 1810 CG GLU A 705 5.972 -3.525 -7.504 1.00 30.24 C ATOM 1811 CD GLU A 705 7.314 -2.867 -7.359 1.00 64.51 C ATOM 1812 OE1 GLU A 705 7.375 -1.630 -7.303 1.00 21.14 O ATOM 1813 OE2 GLU A 705 8.336 -3.584 -7.325 1.00 35.33 O ATOM 0 H GLU A 705 3.570 -3.189 -4.216 1.00 63.34 H new ATOM 0 HA GLU A 705 5.935 -1.807 -5.340 1.00 35.55 H new ATOM 0 HB2 GLU A 705 5.838 -4.324 -5.535 1.00 54.44 H new ATOM 0 HB3 GLU A 705 4.298 -4.170 -6.358 1.00 54.44 H new ATOM 0 HG2 GLU A 705 6.101 -4.509 -7.956 1.00 30.24 H new ATOM 0 HG3 GLU A 705 5.356 -2.939 -8.186 1.00 30.24 H new ATOM 1820 N TYR A 706 4.511 -0.617 -7.054 1.00 21.53 N ATOM 1821 CA TYR A 706 3.645 0.178 -7.887 1.00 61.45 C ATOM 1822 C TYR A 706 3.643 -0.355 -9.300 1.00 31.23 C ATOM 1823 O TYR A 706 4.697 -0.493 -9.928 1.00 61.11 O ATOM 1824 CB TYR A 706 4.042 1.661 -7.855 1.00 50.42 C ATOM 1825 CG TYR A 706 3.204 2.549 -8.746 1.00 62.44 C ATOM 1826 CD1 TYR A 706 1.858 2.756 -8.485 1.00 42.20 C ATOM 1827 CD2 TYR A 706 3.765 3.198 -9.836 1.00 74.11 C ATOM 1828 CE1 TYR A 706 1.104 3.578 -9.276 1.00 11.34 C ATOM 1829 CE2 TYR A 706 3.014 4.019 -10.634 1.00 74.41 C ATOM 1830 CZ TYR A 706 1.688 4.209 -10.352 1.00 31.03 C ATOM 1831 OH TYR A 706 0.943 5.046 -11.138 1.00 14.20 O ATOM 0 H TYR A 706 5.503 -0.395 -7.132 1.00 21.53 H new ATOM 0 HA TYR A 706 2.632 0.106 -7.490 1.00 61.45 H new ATOM 0 HB2 TYR A 706 3.969 2.023 -6.829 1.00 50.42 H new ATOM 0 HB3 TYR A 706 5.087 1.752 -8.151 1.00 50.42 H new ATOM 0 HD1 TYR A 706 1.398 2.260 -7.643 1.00 42.20 H new ATOM 0 HD2 TYR A 706 4.812 3.053 -10.059 1.00 74.11 H new ATOM 0 HE1 TYR A 706 0.057 3.731 -9.058 1.00 11.34 H new ATOM 0 HE2 TYR A 706 3.465 4.514 -11.481 1.00 74.41 H new ATOM 0 HH TYR A 706 1.506 5.411 -11.853 1.00 14.20 H new ATOM 1841 N GLN A 707 2.476 -0.695 -9.787 1.00 22.43 N ATOM 1842 CA GLN A 707 2.340 -1.153 -11.144 1.00 23.21 C ATOM 1843 C GLN A 707 2.187 0.022 -12.076 1.00 54.01 C ATOM 1844 O GLN A 707 3.159 0.486 -12.668 1.00 62.22 O ATOM 1845 CB GLN A 707 1.163 -2.128 -11.310 1.00 40.41 C ATOM 1846 CG GLN A 707 1.369 -3.522 -10.728 1.00 53.32 C ATOM 1847 CD GLN A 707 1.686 -3.542 -9.259 1.00 23.52 C ATOM 1848 OE1 GLN A 707 2.845 -3.518 -8.855 1.00 21.04 O ATOM 1849 NE2 GLN A 707 0.678 -3.567 -8.447 1.00 24.14 N ATOM 0 H GLN A 707 1.603 -0.662 -9.260 1.00 22.43 H new ATOM 0 HA GLN A 707 3.249 -1.698 -11.399 1.00 23.21 H new ATOM 0 HB2 GLN A 707 0.282 -1.687 -10.844 1.00 40.41 H new ATOM 0 HB3 GLN A 707 0.945 -2.227 -12.373 1.00 40.41 H new ATOM 0 HG2 GLN A 707 0.468 -4.111 -10.901 1.00 53.32 H new ATOM 0 HG3 GLN A 707 2.179 -4.012 -11.269 1.00 53.32 H new ATOM 0 HE21 GLN A 707 -0.273 -3.587 -8.815 1.00 24.14 H new ATOM 0 HE22 GLN A 707 0.835 -3.567 -7.439 1.00 24.14 H new ATOM 1857 N GLU A 708 0.979 0.529 -12.170 1.00 13.52 N ATOM 1858 CA GLU A 708 0.682 1.642 -13.022 1.00 24.33 C ATOM 1859 C GLU A 708 -0.711 2.143 -12.752 1.00 72.45 C ATOM 1860 O GLU A 708 -1.640 1.356 -12.538 1.00 70.51 O ATOM 1861 CB GLU A 708 0.843 1.252 -14.512 1.00 53.34 C ATOM 1862 CG GLU A 708 -0.030 0.081 -14.954 1.00 15.15 C ATOM 1863 CD GLU A 708 0.263 -0.358 -16.358 1.00 51.53 C ATOM 1864 OE1 GLU A 708 1.217 -1.140 -16.553 1.00 2.33 O ATOM 1865 OE2 GLU A 708 -0.436 0.071 -17.295 1.00 71.43 O ATOM 0 H GLU A 708 0.175 0.174 -11.652 1.00 13.52 H new ATOM 0 HA GLU A 708 1.389 2.443 -12.806 1.00 24.33 H new ATOM 0 HB2 GLU A 708 0.607 2.119 -15.130 1.00 53.34 H new ATOM 0 HB3 GLU A 708 1.887 1.002 -14.699 1.00 53.34 H new ATOM 0 HG2 GLU A 708 0.123 -0.758 -14.275 1.00 15.15 H new ATOM 0 HG3 GLU A 708 -1.079 0.366 -14.878 1.00 15.15 H new ATOM 1872 N GLU A 709 -0.842 3.424 -12.666 1.00 31.35 N ATOM 1873 CA GLU A 709 -2.135 4.032 -12.583 1.00 1.23 C ATOM 1874 C GLU A 709 -2.676 4.105 -13.994 1.00 24.14 C ATOM 1875 O GLU A 709 -1.995 4.584 -14.907 1.00 13.44 O ATOM 1876 CB GLU A 709 -2.023 5.414 -11.914 1.00 70.24 C ATOM 1877 CG GLU A 709 -3.336 6.163 -11.625 1.00 35.31 C ATOM 1878 CD GLU A 709 -4.054 6.652 -12.844 1.00 3.22 C ATOM 1879 OE1 GLU A 709 -3.524 7.552 -13.523 1.00 33.13 O ATOM 1880 OE2 GLU A 709 -5.139 6.144 -13.149 1.00 4.02 O ATOM 0 H GLU A 709 -0.061 4.080 -12.651 1.00 31.35 H new ATOM 0 HA GLU A 709 -2.822 3.453 -11.965 1.00 1.23 H new ATOM 0 HB2 GLU A 709 -1.490 5.291 -10.971 1.00 70.24 H new ATOM 0 HB3 GLU A 709 -1.405 6.048 -12.550 1.00 70.24 H new ATOM 0 HG2 GLU A 709 -4.001 5.503 -11.068 1.00 35.31 H new ATOM 0 HG3 GLU A 709 -3.119 7.015 -10.981 1.00 35.31 H new ATOM 1887 N ASP A 710 -3.865 3.617 -14.159 1.00 23.40 N ATOM 1888 CA ASP A 710 -4.512 3.514 -15.463 1.00 42.33 C ATOM 1889 C ASP A 710 -5.953 3.183 -15.215 1.00 13.34 C ATOM 1890 O ASP A 710 -6.862 3.689 -15.859 1.00 2.54 O ATOM 1891 CB ASP A 710 -3.874 2.373 -16.270 1.00 55.43 C ATOM 1892 CG ASP A 710 -4.428 2.234 -17.672 1.00 30.52 C ATOM 1893 OD1 ASP A 710 -5.546 1.706 -17.843 1.00 40.04 O ATOM 1894 OD2 ASP A 710 -3.722 2.606 -18.633 1.00 54.34 O ATOM 0 H ASP A 710 -4.437 3.269 -13.389 1.00 23.40 H new ATOM 0 HA ASP A 710 -4.405 4.445 -16.020 1.00 42.33 H new ATOM 0 HB2 ASP A 710 -2.798 2.539 -16.329 1.00 55.43 H new ATOM 0 HB3 ASP A 710 -4.023 1.435 -15.736 1.00 55.43 H new ATOM 1899 N ASN A 711 -6.144 2.348 -14.212 1.00 54.03 N ATOM 1900 CA ASN A 711 -7.457 1.858 -13.784 1.00 60.20 C ATOM 1901 C ASN A 711 -8.223 2.934 -13.008 1.00 1.33 C ATOM 1902 O ASN A 711 -9.168 2.610 -12.292 1.00 61.53 O ATOM 1903 CB ASN A 711 -7.271 0.651 -12.831 1.00 13.03 C ATOM 1904 CG ASN A 711 -6.477 -0.490 -13.418 1.00 23.54 C ATOM 1905 OD1 ASN A 711 -7.037 -1.369 -14.070 1.00 65.41 O ATOM 1906 ND2 ASN A 711 -5.179 -0.534 -13.127 1.00 14.22 N ATOM 0 H ASN A 711 -5.376 1.977 -13.652 1.00 54.03 H new ATOM 0 HA ASN A 711 -8.014 1.580 -14.679 1.00 60.20 H new ATOM 0 HB2 ASN A 711 -6.775 0.994 -11.923 1.00 13.03 H new ATOM 0 HB3 ASN A 711 -8.253 0.281 -12.537 1.00 13.03 H new ATOM 0 HD21 ASN A 711 -4.611 -1.318 -13.448 1.00 14.22 H new ATOM 0 HD22 ASN A 711 -4.753 0.216 -12.583 1.00 14.22 H new ATOM 1912 N SER A 712 -7.806 4.209 -13.156 1.00 71.31 N ATOM 1913 CA SER A 712 -8.315 5.388 -12.406 1.00 31.31 C ATOM 1914 C SER A 712 -7.921 5.329 -10.938 1.00 21.33 C ATOM 1915 O SER A 712 -8.234 6.209 -10.137 1.00 44.33 O ATOM 1916 CB SER A 712 -9.824 5.715 -12.633 1.00 4.25 C ATOM 1917 OG SER A 712 -10.699 4.663 -12.255 1.00 45.33 O ATOM 0 H SER A 712 -7.078 4.460 -13.825 1.00 71.31 H new ATOM 0 HA SER A 712 -7.809 6.249 -12.842 1.00 31.31 H new ATOM 0 HB2 SER A 712 -10.082 6.611 -12.068 1.00 4.25 H new ATOM 0 HB3 SER A 712 -9.982 5.946 -13.686 1.00 4.25 H new ATOM 0 HG SER A 712 -10.174 3.896 -11.946 1.00 45.33 H new ATOM 1923 N THR A 713 -7.218 4.291 -10.617 1.00 63.51 N ATOM 1924 CA THR A 713 -6.754 4.032 -9.327 1.00 73.42 C ATOM 1925 C THR A 713 -5.306 3.573 -9.442 1.00 15.52 C ATOM 1926 O THR A 713 -4.900 2.991 -10.477 1.00 2.13 O ATOM 1927 CB THR A 713 -7.639 2.937 -8.630 1.00 52.35 C ATOM 1928 OG1 THR A 713 -7.195 2.682 -7.305 1.00 70.25 O ATOM 1929 CG2 THR A 713 -7.631 1.642 -9.405 1.00 73.13 C ATOM 0 H THR A 713 -6.948 3.577 -11.293 1.00 63.51 H new ATOM 0 HA THR A 713 -6.814 4.930 -8.712 1.00 73.42 H new ATOM 0 HB THR A 713 -8.655 3.330 -8.602 1.00 52.35 H new ATOM 0 HG1 THR A 713 -7.917 2.261 -6.793 1.00 70.25 H new ATOM 0 HG21 THR A 713 -8.254 0.908 -8.893 1.00 73.13 H new ATOM 0 HG22 THR A 713 -8.023 1.815 -10.407 1.00 73.13 H new ATOM 0 HG23 THR A 713 -6.610 1.266 -9.475 1.00 73.13 H new ATOM 1935 N TYR A 714 -4.536 3.877 -8.446 1.00 10.31 N ATOM 1936 CA TYR A 714 -3.163 3.489 -8.386 1.00 52.14 C ATOM 1937 C TYR A 714 -3.097 2.121 -7.780 1.00 44.01 C ATOM 1938 O TYR A 714 -3.525 1.931 -6.656 1.00 44.43 O ATOM 1939 CB TYR A 714 -2.358 4.493 -7.524 1.00 5.31 C ATOM 1940 CG TYR A 714 -2.319 5.905 -8.082 1.00 44.31 C ATOM 1941 CD1 TYR A 714 -3.445 6.711 -8.060 1.00 44.12 C ATOM 1942 CD2 TYR A 714 -1.163 6.424 -8.650 1.00 62.53 C ATOM 1943 CE1 TYR A 714 -3.429 7.976 -8.576 1.00 65.01 C ATOM 1944 CE2 TYR A 714 -1.140 7.702 -9.173 1.00 52.13 C ATOM 1945 CZ TYR A 714 -2.285 8.469 -9.130 1.00 42.42 C ATOM 1946 OH TYR A 714 -2.285 9.735 -9.641 1.00 41.44 O ATOM 0 H TYR A 714 -4.850 4.412 -7.636 1.00 10.31 H new ATOM 0 HA TYR A 714 -2.730 3.482 -9.386 1.00 52.14 H new ATOM 0 HB2 TYR A 714 -2.789 4.522 -6.523 1.00 5.31 H new ATOM 0 HB3 TYR A 714 -1.336 4.127 -7.420 1.00 5.31 H new ATOM 0 HD1 TYR A 714 -4.357 6.331 -7.625 1.00 44.12 H new ATOM 0 HD2 TYR A 714 -0.269 5.819 -8.683 1.00 62.53 H new ATOM 0 HE1 TYR A 714 -4.321 8.584 -8.545 1.00 65.01 H new ATOM 0 HE2 TYR A 714 -0.235 8.096 -9.611 1.00 52.13 H new ATOM 0 HH TYR A 714 -1.397 9.943 -9.999 1.00 41.44 H new ATOM 1956 N ASN A 715 -2.573 1.176 -8.508 1.00 73.23 N ATOM 1957 CA ASN A 715 -2.493 -0.181 -8.003 1.00 74.24 C ATOM 1958 C ASN A 715 -1.142 -0.515 -7.483 1.00 32.23 C ATOM 1959 O ASN A 715 -0.108 -0.345 -8.167 1.00 14.42 O ATOM 1960 CB ASN A 715 -2.891 -1.216 -9.053 1.00 51.44 C ATOM 1961 CG ASN A 715 -4.387 -1.443 -9.176 1.00 63.32 C ATOM 1962 OD1 ASN A 715 -5.073 -0.760 -9.943 1.00 35.44 O ATOM 1963 ND2 ASN A 715 -4.913 -2.433 -8.437 1.00 75.30 N ATOM 0 H ASN A 715 -2.196 1.310 -9.446 1.00 73.23 H new ATOM 0 HA ASN A 715 -3.206 -0.221 -7.179 1.00 74.24 H new ATOM 0 HB2 ASN A 715 -2.503 -0.900 -10.022 1.00 51.44 H new ATOM 0 HB3 ASN A 715 -2.411 -2.164 -8.811 1.00 51.44 H new ATOM 0 HD21 ASN A 715 -5.910 -2.641 -8.499 1.00 75.30 H new ATOM 0 HD22 ASN A 715 -4.316 -2.977 -7.814 1.00 75.30 H new ATOM 1969 N PHE A 716 -1.150 -0.976 -6.265 1.00 14.33 N ATOM 1970 CA PHE A 716 0.014 -1.429 -5.592 1.00 31.15 C ATOM 1971 C PHE A 716 -0.102 -2.903 -5.315 1.00 74.43 C ATOM 1972 O PHE A 716 -1.168 -3.401 -4.997 1.00 21.34 O ATOM 1973 CB PHE A 716 0.252 -0.653 -4.293 1.00 13.25 C ATOM 1974 CG PHE A 716 0.558 0.800 -4.515 1.00 61.33 C ATOM 1975 CD1 PHE A 716 -0.455 1.736 -4.619 1.00 72.11 C ATOM 1976 CD2 PHE A 716 1.866 1.223 -4.630 1.00 61.00 C ATOM 1977 CE1 PHE A 716 -0.164 3.066 -4.833 1.00 22.32 C ATOM 1978 CE2 PHE A 716 2.160 2.549 -4.846 1.00 11.21 C ATOM 1979 CZ PHE A 716 1.145 3.470 -4.949 1.00 24.32 C ATOM 0 H PHE A 716 -1.998 -1.045 -5.703 1.00 14.33 H new ATOM 0 HA PHE A 716 0.874 -1.251 -6.238 1.00 31.15 H new ATOM 0 HB2 PHE A 716 -0.631 -0.738 -3.660 1.00 13.25 H new ATOM 0 HB3 PHE A 716 1.078 -1.112 -3.750 1.00 13.25 H new ATOM 0 HD1 PHE A 716 -1.484 1.421 -4.532 1.00 72.11 H new ATOM 0 HD2 PHE A 716 2.668 0.505 -4.549 1.00 61.00 H new ATOM 0 HE1 PHE A 716 -0.962 3.789 -4.909 1.00 22.32 H new ATOM 0 HE2 PHE A 716 3.188 2.867 -4.935 1.00 11.21 H new ATOM 0 HZ PHE A 716 1.376 4.511 -5.121 1.00 24.32 H new ATOM 1989 N ARG A 717 0.976 -3.588 -5.478 1.00 71.33 N ATOM 1990 CA ARG A 717 1.044 -5.006 -5.248 1.00 42.51 C ATOM 1991 C ARG A 717 1.806 -5.242 -3.978 1.00 3.32 C ATOM 1992 O ARG A 717 2.956 -4.873 -3.872 1.00 41.23 O ATOM 1993 CB ARG A 717 1.707 -5.684 -6.446 1.00 1.11 C ATOM 1994 CG ARG A 717 1.992 -7.149 -6.295 1.00 70.51 C ATOM 1995 CD ARG A 717 2.503 -7.739 -7.608 1.00 23.23 C ATOM 1996 NE ARG A 717 3.676 -7.018 -8.144 1.00 52.22 N ATOM 1997 CZ ARG A 717 4.600 -7.562 -8.958 1.00 43.24 C ATOM 1998 NH1 ARG A 717 4.549 -8.857 -9.266 1.00 45.31 N ATOM 1999 NH2 ARG A 717 5.576 -6.810 -9.450 1.00 42.44 N ATOM 0 H ARG A 717 1.859 -3.178 -5.781 1.00 71.33 H new ATOM 0 HA ARG A 717 0.048 -5.435 -5.140 1.00 42.51 H new ATOM 0 HB2 ARG A 717 1.067 -5.546 -7.317 1.00 1.11 H new ATOM 0 HB3 ARG A 717 2.645 -5.171 -6.656 1.00 1.11 H new ATOM 0 HG2 ARG A 717 2.733 -7.301 -5.510 1.00 70.51 H new ATOM 0 HG3 ARG A 717 1.087 -7.670 -5.985 1.00 70.51 H new ATOM 0 HD2 ARG A 717 2.766 -8.785 -7.452 1.00 23.23 H new ATOM 0 HD3 ARG A 717 1.701 -7.718 -8.346 1.00 23.23 H new ATOM 0 HE ARG A 717 3.794 -6.040 -7.879 1.00 52.22 H new ATOM 0 HH11 ARG A 717 3.806 -9.443 -8.884 1.00 45.31 H new ATOM 0 HH12 ARG A 717 5.252 -9.262 -9.883 1.00 45.31 H new ATOM 0 HH21 ARG A 717 5.626 -5.820 -9.211 1.00 42.44 H new ATOM 0 HH22 ARG A 717 6.276 -7.222 -10.067 1.00 42.44 H new ATOM 2011 N TRP A 718 1.165 -5.826 -3.030 1.00 24.22 N ATOM 2012 CA TRP A 718 1.740 -6.014 -1.741 1.00 55.05 C ATOM 2013 C TRP A 718 1.961 -7.500 -1.511 1.00 31.40 C ATOM 2014 O TRP A 718 1.063 -8.301 -1.727 1.00 61.11 O ATOM 2015 CB TRP A 718 0.761 -5.467 -0.693 1.00 61.43 C ATOM 2016 CG TRP A 718 1.334 -5.289 0.673 1.00 53.13 C ATOM 2017 CD1 TRP A 718 1.849 -6.242 1.483 1.00 4.12 C ATOM 2018 CD2 TRP A 718 1.408 -4.069 1.402 1.00 13.41 C ATOM 2019 NE1 TRP A 718 2.269 -5.684 2.652 1.00 42.05 N ATOM 2020 CE2 TRP A 718 2.005 -4.359 2.632 1.00 51.42 C ATOM 2021 CE3 TRP A 718 1.031 -2.756 1.127 1.00 21.03 C ATOM 2022 CZ2 TRP A 718 2.242 -3.396 3.585 1.00 35.44 C ATOM 2023 CZ3 TRP A 718 1.262 -1.796 2.081 1.00 54.32 C ATOM 2024 CH2 TRP A 718 1.862 -2.121 3.291 1.00 41.40 C ATOM 0 H TRP A 718 0.217 -6.191 -3.125 1.00 24.22 H new ATOM 0 HA TRP A 718 2.694 -5.493 -1.665 1.00 55.05 H new ATOM 0 HB2 TRP A 718 0.381 -4.506 -1.039 1.00 61.43 H new ATOM 0 HB3 TRP A 718 -0.092 -6.142 -0.628 1.00 61.43 H new ATOM 0 HD1 TRP A 718 1.917 -7.292 1.238 1.00 4.12 H new ATOM 0 HE1 TRP A 718 2.713 -6.187 3.421 1.00 42.05 H new ATOM 0 HE3 TRP A 718 0.568 -2.500 0.186 1.00 21.03 H new ATOM 0 HZ2 TRP A 718 2.710 -3.640 4.527 1.00 35.44 H new ATOM 0 HZ3 TRP A 718 0.973 -0.773 1.888 1.00 54.32 H new ATOM 0 HH2 TRP A 718 2.032 -1.341 4.019 1.00 41.40 H new ATOM 2035 N TYR A 719 3.146 -7.860 -1.104 1.00 75.10 N ATOM 2036 CA TYR A 719 3.443 -9.235 -0.755 1.00 53.33 C ATOM 2037 C TYR A 719 3.564 -9.373 0.735 1.00 4.13 C ATOM 2038 O TYR A 719 4.524 -8.899 1.327 1.00 12.11 O ATOM 2039 CB TYR A 719 4.715 -9.728 -1.437 1.00 31.42 C ATOM 2040 CG TYR A 719 4.573 -9.947 -2.914 1.00 64.44 C ATOM 2041 CD1 TYR A 719 4.046 -11.135 -3.396 1.00 61.23 C ATOM 2042 CD2 TYR A 719 4.962 -8.983 -3.828 1.00 51.02 C ATOM 2043 CE1 TYR A 719 3.912 -11.358 -4.740 1.00 72.34 C ATOM 2044 CE2 TYR A 719 4.832 -9.203 -5.179 1.00 74.20 C ATOM 2045 CZ TYR A 719 4.305 -10.394 -5.626 1.00 13.35 C ATOM 2046 OH TYR A 719 4.184 -10.623 -6.973 1.00 35.04 O ATOM 0 H TYR A 719 3.933 -7.219 -1.003 1.00 75.10 H new ATOM 0 HA TYR A 719 2.619 -9.855 -1.109 1.00 53.33 H new ATOM 0 HB2 TYR A 719 5.511 -9.005 -1.263 1.00 31.42 H new ATOM 0 HB3 TYR A 719 5.026 -10.663 -0.970 1.00 31.42 H new ATOM 0 HD1 TYR A 719 3.735 -11.899 -2.698 1.00 61.23 H new ATOM 0 HD2 TYR A 719 5.372 -8.048 -3.476 1.00 51.02 H new ATOM 0 HE1 TYR A 719 3.499 -12.289 -5.098 1.00 72.34 H new ATOM 0 HE2 TYR A 719 5.141 -8.447 -5.885 1.00 74.20 H new ATOM 0 HH TYR A 719 3.426 -11.223 -7.136 1.00 35.04 H new ATOM 2056 N THR A 720 2.593 -9.995 1.346 1.00 62.14 N ATOM 2057 CA THR A 720 2.593 -10.132 2.770 1.00 13.32 C ATOM 2058 C THR A 720 2.106 -11.498 3.195 1.00 51.45 C ATOM 2059 O THR A 720 1.202 -12.084 2.577 1.00 32.03 O ATOM 2060 CB THR A 720 1.767 -9.023 3.482 1.00 72.53 C ATOM 2061 OG1 THR A 720 1.836 -9.199 4.902 1.00 42.35 O ATOM 2062 CG2 THR A 720 0.311 -9.037 3.045 1.00 64.35 C ATOM 0 H THR A 720 1.791 -10.415 0.875 1.00 62.14 H new ATOM 0 HA THR A 720 3.631 -10.016 3.082 1.00 13.32 H new ATOM 0 HB THR A 720 2.198 -8.062 3.202 1.00 72.53 H new ATOM 0 HG1 THR A 720 2.375 -8.481 5.295 1.00 42.35 H new ATOM 0 HG21 THR A 720 -0.232 -8.248 3.565 1.00 64.35 H new ATOM 0 HG22 THR A 720 0.252 -8.870 1.969 1.00 64.35 H new ATOM 0 HG23 THR A 720 -0.132 -10.003 3.287 1.00 64.35 H new ATOM 2068 N SER A 721 2.724 -12.021 4.219 1.00 64.30 N ATOM 2069 CA SER A 721 2.335 -13.281 4.777 1.00 63.03 C ATOM 2070 C SER A 721 0.959 -13.154 5.470 1.00 61.12 C ATOM 2071 O SER A 721 0.206 -14.126 5.568 1.00 62.41 O ATOM 2072 CB SER A 721 3.410 -13.728 5.752 1.00 21.52 C ATOM 2073 OG SER A 721 4.674 -13.737 5.092 1.00 15.02 O ATOM 0 H SER A 721 3.515 -11.581 4.690 1.00 64.30 H new ATOM 0 HA SER A 721 2.235 -14.030 3.991 1.00 63.03 H new ATOM 0 HB2 SER A 721 3.440 -13.056 6.610 1.00 21.52 H new ATOM 0 HB3 SER A 721 3.180 -14.723 6.134 1.00 21.52 H new ATOM 0 HG SER A 721 5.369 -14.024 5.720 1.00 15.02 H new ATOM 2079 N TYR A 722 0.618 -11.928 5.887 1.00 1.44 N ATOM 2080 CA TYR A 722 -0.621 -11.657 6.604 1.00 4.24 C ATOM 2081 C TYR A 722 -1.855 -11.744 5.720 1.00 53.42 C ATOM 2082 O TYR A 722 -2.966 -11.841 6.224 1.00 71.10 O ATOM 2083 CB TYR A 722 -0.568 -10.292 7.276 1.00 23.31 C ATOM 2084 CG TYR A 722 0.480 -10.188 8.360 1.00 11.31 C ATOM 2085 CD1 TYR A 722 0.205 -10.619 9.647 1.00 44.22 C ATOM 2086 CD2 TYR A 722 1.739 -9.663 8.099 1.00 2.12 C ATOM 2087 CE1 TYR A 722 1.147 -10.529 10.644 1.00 40.12 C ATOM 2088 CE2 TYR A 722 2.690 -9.570 9.094 1.00 63.23 C ATOM 2089 CZ TYR A 722 2.387 -10.007 10.365 1.00 43.43 C ATOM 2090 OH TYR A 722 3.327 -9.915 11.363 1.00 74.30 O ATOM 0 H TYR A 722 1.196 -11.102 5.734 1.00 1.44 H new ATOM 0 HA TYR A 722 -0.709 -12.438 7.359 1.00 4.24 H new ATOM 0 HB2 TYR A 722 -0.372 -9.532 6.520 1.00 23.31 H new ATOM 0 HB3 TYR A 722 -1.545 -10.070 7.705 1.00 23.31 H new ATOM 0 HD1 TYR A 722 -0.767 -11.033 9.871 1.00 44.22 H new ATOM 0 HD2 TYR A 722 1.977 -9.322 7.102 1.00 2.12 H new ATOM 0 HE1 TYR A 722 0.913 -10.867 11.643 1.00 40.12 H new ATOM 0 HE2 TYR A 722 3.665 -9.158 8.878 1.00 63.23 H new ATOM 0 HH TYR A 722 4.150 -9.525 11.002 1.00 74.30 H new ATOM 2100 N ALA A 723 -1.668 -11.712 4.416 1.00 15.52 N ATOM 2101 CA ALA A 723 -2.794 -11.768 3.493 1.00 4.24 C ATOM 2102 C ALA A 723 -2.905 -13.138 2.879 1.00 54.10 C ATOM 2103 O ALA A 723 -3.605 -13.331 1.898 1.00 50.14 O ATOM 2104 CB ALA A 723 -2.636 -10.732 2.397 1.00 15.43 C ATOM 0 H ALA A 723 -0.754 -11.648 3.969 1.00 15.52 H new ATOM 0 HA ALA A 723 -3.703 -11.555 4.056 1.00 4.24 H new ATOM 0 HB1 ALA A 723 -3.486 -10.789 1.717 1.00 15.43 H new ATOM 0 HB2 ALA A 723 -2.592 -9.737 2.840 1.00 15.43 H new ATOM 0 HB3 ALA A 723 -1.716 -10.924 1.844 1.00 15.43 H new ATOM 2110 N CYS A 724 -2.255 -14.091 3.473 1.00 52.54 N ATOM 2111 CA CYS A 724 -2.249 -15.407 2.914 1.00 52.25 C ATOM 2112 C CYS A 724 -3.110 -16.349 3.755 1.00 62.42 C ATOM 2113 O CYS A 724 -2.940 -16.432 4.972 1.00 32.01 O ATOM 2114 CB CYS A 724 -0.821 -15.921 2.822 1.00 23.44 C ATOM 2115 SG CYS A 724 -0.648 -17.464 1.889 1.00 65.01 S ATOM 0 H CYS A 724 -1.726 -13.984 4.338 1.00 52.54 H new ATOM 0 HA CYS A 724 -2.673 -15.368 1.910 1.00 52.25 H new ATOM 0 HB2 CYS A 724 -0.200 -15.156 2.356 1.00 23.44 H new ATOM 0 HB3 CYS A 724 -0.436 -16.074 3.830 1.00 23.44 H new ATOM 2120 N PRO A 725 -4.070 -17.042 3.114 1.00 72.22 N ATOM 2121 CA PRO A 725 -4.969 -17.973 3.794 1.00 41.41 C ATOM 2122 C PRO A 725 -4.262 -19.265 4.224 1.00 21.33 C ATOM 2123 O PRO A 725 -4.093 -20.179 3.381 1.00 37.93 O ATOM 2124 CB PRO A 725 -6.051 -18.260 2.748 1.00 14.54 C ATOM 2125 CG PRO A 725 -5.407 -17.991 1.430 1.00 30.21 C ATOM 2126 CD PRO A 725 -4.359 -16.948 1.667 1.00 31.05 C ATOM 2127 OXT PRO A 725 -3.852 -19.371 5.403 1.00 37.93 O ATOM 0 HA PRO A 725 -5.363 -17.554 4.720 1.00 41.41 H new ATOM 0 HB2 PRO A 725 -6.397 -19.292 2.813 1.00 14.54 H new ATOM 0 HB3 PRO A 725 -6.922 -17.622 2.898 1.00 14.54 H new ATOM 0 HG2 PRO A 725 -4.963 -18.900 1.024 1.00 30.21 H new ATOM 0 HG3 PRO A 725 -6.142 -17.643 0.704 1.00 30.21 H new ATOM 0 HD2 PRO A 725 -3.467 -17.138 1.070 1.00 31.05 H new ATOM 0 HD3 PRO A 725 -4.718 -15.955 1.397 1.00 31.05 H new