USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 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 679 TYR OH : rot -166:sc= -1.98! USER MOD Set 1.2: A 712 SER OG : rot -46:sc= 0.222 USER MOD Set 2.1: A 692 THR OG1 : rot 180:sc= 0.00546 USER MOD Set 2.2: A 711 ASN : amide:sc= -1.4! C(o=-3.2!,f=-7.1!) USER MOD Set 2.3: A 715 ASN : amide:sc= -1.76! K(o=-3.2!,f=-7.1) USER MOD Single : A 587 THR OG1 : rot -156:sc= 0.976 USER MOD Single : A 591 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.3) 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 598 GLN : amide:sc= 1.05 K(o=1,f=-0.17) USER MOD Single : A 602 SER OG : rot 34:sc= 0.138 USER MOD Single : A 606 THR OG1 : rot -174:sc= -0.727 USER MOD Single : A 609 THR OG1 : rot -85:sc= 1.25 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 26:sc= -1.03 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -23:sc= 1.26 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= -1.93 K(o=-1.9,f=-6.7!) USER MOD Single : A 626 ASN : amide:sc= 1.55 K(o=1.5,f=-6.7!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot -41:sc= 0.379 USER MOD Single : A 644 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.84) USER MOD Single : A 646 SER OG : rot -172:sc= 1.79 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000557) USER MOD Single : A 652 SER OG : rot 180:sc= -0.803 USER MOD Single : A 654 ASN : amide:sc= 0.861 K(o=0.86,f=-9!) USER MOD Single : A 658 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 659 ASN :FLIP amide:sc= -1.22 F(o=-2.1,f=-1.2) USER MOD Single : A 661 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00322) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 170:sc= -0.637 (180deg=-0.767) USER MOD Single : A 670 GLN :FLIP amide:sc= -1.11 F(o=-3.8!,f=-1.1) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -153:sc= 1.23 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 685 THR OG1 : rot 26:sc= 0.197 USER MOD Single : A 689 THR OG1 : rot 77:sc= 0.956 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.112 USER MOD Single : A 707 GLN : amide:sc= -2.15 K(o=-2.1,f=-2.7) USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 714 TYR OH : rot -30:sc= 0.737 USER MOD Single : A 719 TYR OH : rot 30:sc= -0.94 USER MOD Single : A 720 THR OG1 : rot 96:sc= -0.605 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 -15.949 -9.208 -0.320 1.00 64.32 N ATOM 137 CA THR A 587 -16.460 -8.675 0.904 1.00 63.44 C ATOM 138 C THR A 587 -15.783 -7.358 1.187 1.00 12.03 C ATOM 139 O THR A 587 -14.595 -7.183 0.875 1.00 53.55 O ATOM 140 CB THR A 587 -16.285 -9.633 2.117 1.00 0.52 C ATOM 141 OG1 THR A 587 -17.091 -9.178 3.220 1.00 25.42 O ATOM 142 CG2 THR A 587 -14.850 -9.657 2.575 1.00 2.14 C ATOM 0 HA THR A 587 -17.534 -8.540 0.774 1.00 63.44 H new ATOM 0 HB THR A 587 -16.590 -10.630 1.801 1.00 0.52 H new ATOM 0 HG1 THR A 587 -16.718 -9.519 4.060 1.00 25.42 H new ATOM 0 HG21 THR A 587 -14.750 -10.333 3.424 1.00 2.14 H new ATOM 0 HG22 THR A 587 -14.214 -10.002 1.760 1.00 2.14 H new ATOM 0 HG23 THR A 587 -14.546 -8.653 2.873 1.00 2.14 H new ATOM 148 N GLU A 588 -16.522 -6.436 1.684 1.00 71.13 N ATOM 149 CA GLU A 588 -15.980 -5.197 2.093 1.00 33.02 C ATOM 150 C GLU A 588 -15.971 -5.181 3.611 1.00 70.14 C ATOM 151 O GLU A 588 -17.004 -5.392 4.254 1.00 73.10 O ATOM 152 CB GLU A 588 -16.799 -4.054 1.531 1.00 63.44 C ATOM 153 CG GLU A 588 -16.238 -2.689 1.834 1.00 73.21 C ATOM 154 CD GLU A 588 -17.090 -1.606 1.262 1.00 71.52 C ATOM 155 OE1 GLU A 588 -18.091 -1.227 1.908 1.00 65.24 O ATOM 156 OE2 GLU A 588 -16.783 -1.118 0.174 1.00 53.11 O ATOM 0 H GLU A 588 -17.529 -6.522 1.819 1.00 71.13 H new ATOM 0 HA GLU A 588 -14.964 -5.074 1.718 1.00 33.02 H new ATOM 0 HB2 GLU A 588 -16.875 -4.172 0.450 1.00 63.44 H new ATOM 0 HB3 GLU A 588 -17.811 -4.116 1.930 1.00 63.44 H new ATOM 0 HG2 GLU A 588 -16.159 -2.559 2.913 1.00 73.21 H new ATOM 0 HG3 GLU A 588 -15.229 -2.611 1.429 1.00 73.21 H new ATOM 163 N GLY A 589 -14.817 -4.976 4.177 1.00 2.44 N ATOM 164 CA GLY A 589 -14.679 -4.997 5.601 1.00 14.14 C ATOM 165 C GLY A 589 -14.923 -3.658 6.234 1.00 21.03 C ATOM 166 O GLY A 589 -15.672 -2.821 5.694 1.00 34.11 O ATOM 0 H GLY A 589 -13.953 -4.791 3.668 1.00 2.44 H new ATOM 0 HA2 GLY A 589 -15.378 -5.722 6.018 1.00 14.14 H new ATOM 0 HA3 GLY A 589 -13.676 -5.337 5.858 1.00 14.14 H new ATOM 170 N ASP A 590 -14.287 -3.440 7.353 1.00 51.42 N ATOM 171 CA ASP A 590 -14.429 -2.214 8.102 1.00 43.51 C ATOM 172 C ASP A 590 -13.008 -1.707 8.412 1.00 64.43 C ATOM 173 O ASP A 590 -12.083 -2.055 7.682 1.00 44.30 O ATOM 174 CB ASP A 590 -15.275 -2.470 9.374 1.00 53.43 C ATOM 175 CG ASP A 590 -15.639 -1.194 10.120 1.00 4.05 C ATOM 176 OD1 ASP A 590 -16.547 -0.456 9.673 1.00 11.12 O ATOM 177 OD2 ASP A 590 -15.002 -0.898 11.129 1.00 13.12 O ATOM 0 H ASP A 590 -13.649 -4.113 7.777 1.00 51.42 H new ATOM 0 HA ASP A 590 -14.960 -1.447 7.538 1.00 43.51 H new ATOM 0 HB2 ASP A 590 -16.190 -2.993 9.095 1.00 53.43 H new ATOM 0 HB3 ASP A 590 -14.722 -3.129 10.043 1.00 53.43 H new ATOM 182 N ASN A 591 -12.820 -0.922 9.458 1.00 11.22 N ATOM 183 CA ASN A 591 -11.542 -0.273 9.703 1.00 20.30 C ATOM 184 C ASN A 591 -10.403 -1.245 10.018 1.00 24.44 C ATOM 185 O ASN A 591 -10.395 -1.906 11.050 1.00 60.43 O ATOM 186 CB ASN A 591 -11.633 0.876 10.752 1.00 22.33 C ATOM 187 CG ASN A 591 -11.919 0.434 12.191 1.00 20.21 C ATOM 188 OD1 ASN A 591 -12.547 -0.582 12.441 1.00 31.31 O ATOM 189 ND2 ASN A 591 -11.465 1.218 13.141 1.00 51.14 N ATOM 0 H ASN A 591 -13.537 -0.718 10.154 1.00 11.22 H new ATOM 0 HA ASN A 591 -11.283 0.189 8.750 1.00 20.30 H new ATOM 0 HB2 ASN A 591 -10.695 1.430 10.740 1.00 22.33 H new ATOM 0 HB3 ASN A 591 -12.416 1.568 10.440 1.00 22.33 H new ATOM 0 HD21 ASN A 591 -11.634 0.984 14.119 1.00 51.14 H new ATOM 0 HD22 ASN A 591 -10.943 2.061 12.901 1.00 51.14 H new ATOM 195 N CYS A 592 -9.466 -1.360 9.063 1.00 52.12 N ATOM 196 CA CYS A 592 -8.224 -2.130 9.215 1.00 15.40 C ATOM 197 C CYS A 592 -8.444 -3.655 9.207 1.00 52.35 C ATOM 198 O CYS A 592 -7.475 -4.428 9.167 1.00 35.25 O ATOM 199 CB CYS A 592 -7.451 -1.707 10.482 1.00 3.54 C ATOM 200 SG CYS A 592 -6.786 0.016 10.557 1.00 21.31 S ATOM 0 H CYS A 592 -9.553 -0.913 8.150 1.00 52.12 H new ATOM 0 HA CYS A 592 -7.623 -1.894 8.337 1.00 15.40 H new ATOM 0 HB2 CYS A 592 -8.110 -1.848 11.338 1.00 3.54 H new ATOM 0 HB3 CYS A 592 -6.614 -2.394 10.608 1.00 3.54 H new ATOM 205 N THR A 593 -9.689 -4.094 9.213 1.00 54.10 N ATOM 206 CA THR A 593 -9.976 -5.506 9.261 1.00 63.52 C ATOM 207 C THR A 593 -11.035 -5.887 8.223 1.00 64.21 C ATOM 208 O THR A 593 -11.947 -5.102 7.921 1.00 14.23 O ATOM 209 CB THR A 593 -10.468 -5.906 10.677 1.00 63.42 C ATOM 210 OG1 THR A 593 -11.572 -5.062 11.062 1.00 32.11 O ATOM 211 CG2 THR A 593 -9.358 -5.781 11.715 1.00 41.01 C ATOM 0 H THR A 593 -10.512 -3.492 9.185 1.00 54.10 H new ATOM 0 HA THR A 593 -9.056 -6.043 9.032 1.00 63.52 H new ATOM 0 HB THR A 593 -10.783 -6.949 10.638 1.00 63.42 H new ATOM 0 HG1 THR A 593 -11.882 -5.317 11.956 1.00 32.11 H new ATOM 0 HG21 THR A 593 -9.741 -6.070 12.694 1.00 41.01 H new ATOM 0 HG22 THR A 593 -8.530 -6.435 11.442 1.00 41.01 H new ATOM 0 HG23 THR A 593 -9.009 -4.749 11.752 1.00 41.01 H new ATOM 217 N VAL A 594 -10.910 -7.072 7.673 1.00 20.44 N ATOM 218 CA VAL A 594 -11.863 -7.563 6.707 1.00 11.43 C ATOM 219 C VAL A 594 -12.347 -8.967 7.087 1.00 4.04 C ATOM 220 O VAL A 594 -11.556 -9.800 7.540 1.00 21.15 O ATOM 221 CB VAL A 594 -11.275 -7.548 5.252 1.00 34.02 C ATOM 222 CG1 VAL A 594 -10.080 -8.481 5.094 1.00 24.20 C ATOM 223 CG2 VAL A 594 -12.341 -7.837 4.212 1.00 51.03 C ATOM 0 H VAL A 594 -10.150 -7.719 7.881 1.00 20.44 H new ATOM 0 HA VAL A 594 -12.720 -6.889 6.719 1.00 11.43 H new ATOM 0 HB VAL A 594 -10.909 -6.536 5.080 1.00 34.02 H new ATOM 0 HG11 VAL A 594 -9.713 -8.432 4.069 1.00 24.20 H new ATOM 0 HG12 VAL A 594 -9.288 -8.177 5.778 1.00 24.20 H new ATOM 0 HG13 VAL A 594 -10.384 -9.503 5.322 1.00 24.20 H new ATOM 0 HG21 VAL A 594 -11.894 -7.818 3.218 1.00 51.03 H new ATOM 0 HG22 VAL A 594 -12.772 -8.821 4.397 1.00 51.03 H new ATOM 0 HG23 VAL A 594 -13.123 -7.080 4.273 1.00 51.03 H new ATOM 229 N PHE A 595 -13.626 -9.216 6.946 1.00 73.31 N ATOM 230 CA PHE A 595 -14.148 -10.540 7.155 1.00 52.12 C ATOM 231 C PHE A 595 -15.003 -10.961 5.987 1.00 14.31 C ATOM 232 O PHE A 595 -15.899 -10.229 5.560 1.00 54.12 O ATOM 233 CB PHE A 595 -14.909 -10.695 8.484 1.00 53.40 C ATOM 234 CG PHE A 595 -15.495 -12.078 8.651 1.00 71.03 C ATOM 235 CD1 PHE A 595 -14.683 -13.194 8.576 1.00 23.00 C ATOM 236 CD2 PHE A 595 -16.852 -12.261 8.843 1.00 33.44 C ATOM 237 CE1 PHE A 595 -15.196 -14.461 8.693 1.00 52.44 C ATOM 238 CE2 PHE A 595 -17.377 -13.534 8.962 1.00 63.14 C ATOM 239 CZ PHE A 595 -16.545 -14.634 8.884 1.00 41.03 C ATOM 0 H PHE A 595 -14.323 -8.518 6.687 1.00 73.31 H new ATOM 0 HA PHE A 595 -13.288 -11.206 7.225 1.00 52.12 H new ATOM 0 HB2 PHE A 595 -14.233 -10.486 9.314 1.00 53.40 H new ATOM 0 HB3 PHE A 595 -15.709 -9.956 8.531 1.00 53.40 H new ATOM 0 HD1 PHE A 595 -13.622 -13.066 8.422 1.00 23.00 H new ATOM 0 HD2 PHE A 595 -17.506 -11.404 8.900 1.00 33.44 H new ATOM 0 HE1 PHE A 595 -14.542 -15.319 8.635 1.00 52.44 H new ATOM 0 HE2 PHE A 595 -18.437 -13.669 9.116 1.00 63.14 H new ATOM 0 HZ PHE A 595 -16.955 -15.629 8.973 1.00 41.03 H new ATOM 249 N ASP A 596 -14.709 -12.120 5.468 1.00 14.23 N ATOM 250 CA ASP A 596 -15.424 -12.673 4.353 1.00 41.03 C ATOM 251 C ASP A 596 -16.162 -13.893 4.827 1.00 63.54 C ATOM 252 O ASP A 596 -15.541 -14.865 5.259 1.00 50.54 O ATOM 253 CB ASP A 596 -14.429 -13.046 3.267 1.00 72.02 C ATOM 254 CG ASP A 596 -15.066 -13.460 1.976 1.00 1.40 C ATOM 255 OD1 ASP A 596 -15.702 -12.627 1.306 1.00 32.32 O ATOM 256 OD2 ASP A 596 -14.947 -14.611 1.620 1.00 35.21 O ATOM 0 H ASP A 596 -13.956 -12.715 5.813 1.00 14.23 H new ATOM 0 HA ASP A 596 -16.134 -11.952 3.948 1.00 41.03 H new ATOM 0 HB2 ASP A 596 -13.773 -12.195 3.081 1.00 72.02 H new ATOM 0 HB3 ASP A 596 -13.800 -13.860 3.628 1.00 72.02 H new ATOM 261 N SER A 597 -17.471 -13.838 4.771 1.00 70.11 N ATOM 262 CA SER A 597 -18.313 -14.913 5.255 1.00 52.20 C ATOM 263 C SER A 597 -18.121 -16.170 4.406 1.00 12.35 C ATOM 264 O SER A 597 -18.101 -17.293 4.930 1.00 31.10 O ATOM 265 CB SER A 597 -19.788 -14.466 5.279 1.00 60.34 C ATOM 266 OG SER A 597 -20.638 -15.476 5.801 1.00 4.43 O ATOM 0 H SER A 597 -17.987 -13.046 4.388 1.00 70.11 H new ATOM 0 HA SER A 597 -18.021 -15.158 6.276 1.00 52.20 H new ATOM 0 HB2 SER A 597 -19.884 -13.563 5.882 1.00 60.34 H new ATOM 0 HB3 SER A 597 -20.106 -14.210 4.268 1.00 60.34 H new ATOM 0 HG SER A 597 -21.564 -15.156 5.802 1.00 4.43 H new ATOM 272 N GLN A 598 -17.942 -15.977 3.109 1.00 3.21 N ATOM 273 CA GLN A 598 -17.724 -17.081 2.194 1.00 73.30 C ATOM 274 C GLN A 598 -16.376 -17.781 2.430 1.00 21.34 C ATOM 275 O GLN A 598 -16.308 -19.013 2.430 1.00 4.23 O ATOM 276 CB GLN A 598 -17.901 -16.641 0.727 1.00 52.43 C ATOM 277 CG GLN A 598 -17.559 -15.192 0.491 1.00 35.02 C ATOM 278 CD GLN A 598 -17.305 -14.824 -0.943 1.00 53.43 C ATOM 279 OE1 GLN A 598 -17.842 -15.425 -1.874 1.00 45.22 O ATOM 280 NE2 GLN A 598 -16.502 -13.803 -1.134 1.00 63.34 N ATOM 0 H GLN A 598 -17.944 -15.058 2.666 1.00 3.21 H new ATOM 0 HA GLN A 598 -18.493 -17.824 2.404 1.00 73.30 H new ATOM 0 HB2 GLN A 598 -17.272 -17.263 0.090 1.00 52.43 H new ATOM 0 HB3 GLN A 598 -18.933 -16.817 0.425 1.00 52.43 H new ATOM 0 HG2 GLN A 598 -18.375 -14.576 0.869 1.00 35.02 H new ATOM 0 HG3 GLN A 598 -16.674 -14.943 1.076 1.00 35.02 H new ATOM 0 HE21 GLN A 598 -16.077 -13.332 -0.335 1.00 63.34 H new ATOM 0 HE22 GLN A 598 -16.303 -13.481 -2.081 1.00 63.34 H new ATOM 288 N ALA A 599 -15.311 -17.014 2.660 1.00 63.45 N ATOM 289 CA ALA A 599 -14.001 -17.608 2.925 1.00 24.05 C ATOM 290 C ALA A 599 -13.901 -18.082 4.354 1.00 33.42 C ATOM 291 O ALA A 599 -13.111 -18.963 4.666 1.00 34.44 O ATOM 292 CB ALA A 599 -12.904 -16.579 2.684 1.00 14.24 C ATOM 0 H ALA A 599 -15.327 -15.994 2.668 1.00 63.45 H new ATOM 0 HA ALA A 599 -13.880 -18.457 2.253 1.00 24.05 H new ATOM 0 HB1 ALA A 599 -11.932 -17.030 2.884 1.00 14.24 H new ATOM 0 HB2 ALA A 599 -12.942 -16.243 1.648 1.00 14.24 H new ATOM 0 HB3 ALA A 599 -13.052 -15.727 3.348 1.00 14.24 H new ATOM 298 N GLY A 600 -14.729 -17.519 5.208 1.00 65.54 N ATOM 299 CA GLY A 600 -14.763 -17.921 6.603 1.00 64.11 C ATOM 300 C GLY A 600 -13.505 -17.515 7.352 1.00 41.32 C ATOM 301 O GLY A 600 -13.169 -18.102 8.377 1.00 35.03 O ATOM 0 H GLY A 600 -15.389 -16.781 4.963 1.00 65.54 H new ATOM 0 HA2 GLY A 600 -15.631 -17.473 7.087 1.00 64.11 H new ATOM 0 HA3 GLY A 600 -14.886 -19.002 6.664 1.00 64.11 H new ATOM 305 N PHE A 601 -12.810 -16.516 6.848 1.00 14.33 N ATOM 306 CA PHE A 601 -11.592 -16.053 7.475 1.00 74.32 C ATOM 307 C PHE A 601 -11.639 -14.563 7.675 1.00 20.55 C ATOM 308 O PHE A 601 -12.078 -13.818 6.780 1.00 40.31 O ATOM 309 CB PHE A 601 -10.340 -16.388 6.645 1.00 23.43 C ATOM 310 CG PHE A 601 -10.039 -17.845 6.443 1.00 53.01 C ATOM 311 CD1 PHE A 601 -9.711 -18.656 7.516 1.00 15.45 C ATOM 312 CD2 PHE A 601 -10.076 -18.400 5.178 1.00 14.33 C ATOM 313 CE1 PHE A 601 -9.422 -19.990 7.329 1.00 71.43 C ATOM 314 CE2 PHE A 601 -9.785 -19.732 4.985 1.00 54.44 C ATOM 315 CZ PHE A 601 -9.459 -20.529 6.062 1.00 34.15 C ATOM 0 H PHE A 601 -13.070 -16.008 6.003 1.00 14.33 H new ATOM 0 HA PHE A 601 -11.524 -16.569 8.433 1.00 74.32 H new ATOM 0 HB2 PHE A 601 -10.446 -15.923 5.665 1.00 23.43 H new ATOM 0 HB3 PHE A 601 -9.478 -15.925 7.126 1.00 23.43 H new ATOM 0 HD1 PHE A 601 -9.681 -18.238 8.511 1.00 15.45 H new ATOM 0 HD2 PHE A 601 -10.336 -17.782 4.331 1.00 14.33 H new ATOM 0 HE1 PHE A 601 -9.167 -20.612 8.174 1.00 71.43 H new ATOM 0 HE2 PHE A 601 -9.812 -20.152 3.991 1.00 54.44 H new ATOM 0 HZ PHE A 601 -9.233 -21.574 5.912 1.00 34.15 H new ATOM 325 N SER A 602 -11.215 -14.129 8.824 1.00 22.33 N ATOM 326 CA SER A 602 -11.125 -12.734 9.112 1.00 11.32 C ATOM 327 C SER A 602 -9.671 -12.323 9.064 1.00 24.15 C ATOM 328 O SER A 602 -8.817 -12.981 9.663 1.00 61.03 O ATOM 329 CB SER A 602 -11.730 -12.444 10.481 1.00 42.21 C ATOM 330 OG SER A 602 -11.098 -13.226 11.497 1.00 64.41 O ATOM 0 H SER A 602 -10.921 -14.737 9.589 1.00 22.33 H new ATOM 0 HA SER A 602 -11.684 -12.160 8.372 1.00 11.32 H new ATOM 0 HB2 SER A 602 -11.622 -11.384 10.713 1.00 42.21 H new ATOM 0 HB3 SER A 602 -12.798 -12.659 10.463 1.00 42.21 H new ATOM 0 HG SER A 602 -10.152 -13.349 11.274 1.00 64.41 H new ATOM 336 N PHE A 603 -9.393 -11.270 8.371 1.00 11.31 N ATOM 337 CA PHE A 603 -8.050 -10.806 8.214 1.00 61.54 C ATOM 338 C PHE A 603 -7.872 -9.411 8.761 1.00 32.45 C ATOM 339 O PHE A 603 -8.586 -8.476 8.374 1.00 63.14 O ATOM 340 CB PHE A 603 -7.608 -10.868 6.745 1.00 61.52 C ATOM 341 CG PHE A 603 -7.393 -12.259 6.198 1.00 24.25 C ATOM 342 CD1 PHE A 603 -8.429 -12.994 5.633 1.00 51.53 C ATOM 343 CD2 PHE A 603 -6.136 -12.825 6.240 1.00 60.34 C ATOM 344 CE1 PHE A 603 -8.191 -14.260 5.132 1.00 33.44 C ATOM 345 CE2 PHE A 603 -5.902 -14.086 5.739 1.00 43.24 C ATOM 346 CZ PHE A 603 -6.931 -14.802 5.185 1.00 52.23 C ATOM 0 H PHE A 603 -10.093 -10.702 7.894 1.00 11.31 H new ATOM 0 HA PHE A 603 -7.413 -11.474 8.793 1.00 61.54 H new ATOM 0 HB2 PHE A 603 -8.359 -10.367 6.135 1.00 61.52 H new ATOM 0 HB3 PHE A 603 -6.681 -10.305 6.637 1.00 61.52 H new ATOM 0 HD1 PHE A 603 -9.423 -12.574 5.585 1.00 51.53 H new ATOM 0 HD2 PHE A 603 -5.319 -12.268 6.674 1.00 60.34 H new ATOM 0 HE1 PHE A 603 -9.001 -14.826 4.696 1.00 33.44 H new ATOM 0 HE2 PHE A 603 -4.910 -14.510 5.782 1.00 43.24 H new ATOM 0 HZ PHE A 603 -6.751 -15.791 4.791 1.00 52.23 H new ATOM 356 N ASP A 604 -6.946 -9.283 9.669 1.00 72.22 N ATOM 357 CA ASP A 604 -6.568 -8.006 10.219 1.00 22.13 C ATOM 358 C ASP A 604 -5.250 -7.605 9.614 1.00 5.33 C ATOM 359 O ASP A 604 -4.236 -8.279 9.764 1.00 75.01 O ATOM 360 CB ASP A 604 -6.511 -8.042 11.780 1.00 20.21 C ATOM 361 CG ASP A 604 -5.511 -9.007 12.377 1.00 43.44 C ATOM 362 OD1 ASP A 604 -5.829 -10.218 12.510 1.00 55.12 O ATOM 363 OD2 ASP A 604 -4.408 -8.576 12.758 1.00 73.13 O ATOM 0 H ASP A 604 -6.424 -10.070 10.055 1.00 72.22 H new ATOM 0 HA ASP A 604 -7.322 -7.260 9.969 1.00 22.13 H new ATOM 0 HB2 ASP A 604 -6.281 -7.039 12.140 1.00 20.21 H new ATOM 0 HB3 ASP A 604 -7.502 -8.296 12.156 1.00 20.21 H new ATOM 368 N LEU A 605 -5.273 -6.529 8.878 1.00 22.04 N ATOM 369 CA LEU A 605 -4.083 -6.013 8.233 1.00 3.30 C ATOM 370 C LEU A 605 -3.549 -4.859 9.051 1.00 23.31 C ATOM 371 O LEU A 605 -2.774 -4.037 8.598 1.00 73.41 O ATOM 372 CB LEU A 605 -4.365 -5.608 6.764 1.00 5.31 C ATOM 373 CG LEU A 605 -4.526 -6.752 5.709 1.00 70.00 C ATOM 374 CD1 LEU A 605 -3.231 -7.533 5.539 1.00 64.10 C ATOM 375 CD2 LEU A 605 -5.648 -7.709 6.056 1.00 50.32 C ATOM 0 H LEU A 605 -6.115 -5.980 8.704 1.00 22.04 H new ATOM 0 HA LEU A 605 -3.324 -6.794 8.188 1.00 3.30 H new ATOM 0 HB2 LEU A 605 -5.276 -5.010 6.751 1.00 5.31 H new ATOM 0 HB3 LEU A 605 -3.553 -4.960 6.434 1.00 5.31 H new ATOM 0 HG LEU A 605 -4.779 -6.261 4.769 1.00 70.00 H new ATOM 0 HD11 LEU A 605 -3.376 -8.321 4.799 1.00 64.10 H new ATOM 0 HD12 LEU A 605 -2.442 -6.860 5.203 1.00 64.10 H new ATOM 0 HD13 LEU A 605 -2.947 -7.978 6.492 1.00 64.10 H new ATOM 0 HD21 LEU A 605 -5.716 -8.483 5.291 1.00 50.32 H new ATOM 0 HD22 LEU A 605 -5.446 -8.171 7.023 1.00 50.32 H new ATOM 0 HD23 LEU A 605 -6.590 -7.163 6.104 1.00 50.32 H new ATOM 383 N THR A 606 -3.954 -4.878 10.273 1.00 32.02 N ATOM 384 CA THR A 606 -3.626 -3.938 11.279 1.00 44.03 C ATOM 385 C THR A 606 -2.073 -3.887 11.565 1.00 41.12 C ATOM 386 O THR A 606 -1.513 -2.802 11.697 1.00 31.21 O ATOM 387 CB THR A 606 -4.382 -4.360 12.530 1.00 24.04 C ATOM 388 OG1 THR A 606 -5.671 -4.862 12.113 1.00 61.50 O ATOM 389 CG2 THR A 606 -4.630 -3.179 13.393 1.00 33.33 C ATOM 0 H THR A 606 -4.573 -5.612 10.619 1.00 32.02 H new ATOM 0 HA THR A 606 -3.906 -2.935 10.956 1.00 44.03 H new ATOM 0 HB THR A 606 -3.804 -5.107 13.074 1.00 24.04 H new ATOM 0 HG1 THR A 606 -6.218 -5.055 12.903 1.00 61.50 H new ATOM 0 HG21 THR A 606 -5.172 -3.489 14.287 1.00 33.33 H new ATOM 0 HG22 THR A 606 -3.678 -2.733 13.682 1.00 33.33 H new ATOM 0 HG23 THR A 606 -5.223 -2.446 12.845 1.00 33.33 H new ATOM 395 N PRO A 607 -1.354 -5.066 11.684 1.00 45.44 N ATOM 396 CA PRO A 607 0.119 -5.077 11.853 1.00 41.03 C ATOM 397 C PRO A 607 0.854 -4.452 10.647 1.00 13.10 C ATOM 398 O PRO A 607 2.021 -4.071 10.738 1.00 31.54 O ATOM 399 CB PRO A 607 0.471 -6.570 11.988 1.00 64.10 C ATOM 400 CG PRO A 607 -0.706 -7.300 11.444 1.00 61.12 C ATOM 401 CD PRO A 607 -1.899 -6.446 11.735 1.00 32.11 C ATOM 0 HA PRO A 607 0.427 -4.483 12.713 1.00 41.03 H new ATOM 0 HB2 PRO A 607 1.376 -6.813 11.432 1.00 64.10 H new ATOM 0 HB3 PRO A 607 0.654 -6.839 13.028 1.00 64.10 H new ATOM 0 HG2 PRO A 607 -0.599 -7.467 10.372 1.00 61.12 H new ATOM 0 HG3 PRO A 607 -0.806 -8.280 11.911 1.00 61.12 H new ATOM 0 HD2 PRO A 607 -2.688 -6.594 10.998 1.00 32.11 H new ATOM 0 HD3 PRO A 607 -2.327 -6.673 12.711 1.00 32.11 H new ATOM 409 N LEU A 608 0.156 -4.376 9.530 1.00 63.21 N ATOM 410 CA LEU A 608 0.683 -3.837 8.280 1.00 55.43 C ATOM 411 C LEU A 608 0.708 -2.307 8.319 1.00 22.03 C ATOM 412 O LEU A 608 1.433 -1.666 7.557 1.00 43.43 O ATOM 413 CB LEU A 608 -0.181 -4.307 7.078 1.00 33.43 C ATOM 414 CG LEU A 608 -0.146 -5.803 6.661 1.00 24.32 C ATOM 415 CD1 LEU A 608 1.202 -6.184 6.177 1.00 53.42 C ATOM 416 CD2 LEU A 608 -0.566 -6.721 7.783 1.00 52.14 C ATOM 0 H LEU A 608 -0.811 -4.692 9.459 1.00 63.21 H new ATOM 0 HA LEU A 608 1.701 -4.207 8.158 1.00 55.43 H new ATOM 0 HB2 LEU A 608 -1.217 -4.052 7.299 1.00 33.43 H new ATOM 0 HB3 LEU A 608 0.115 -3.717 6.210 1.00 33.43 H new ATOM 0 HG LEU A 608 -0.866 -5.919 5.851 1.00 24.32 H new ATOM 0 HD11 LEU A 608 1.202 -7.236 5.891 1.00 53.42 H new ATOM 0 HD12 LEU A 608 1.465 -5.573 5.313 1.00 53.42 H new ATOM 0 HD13 LEU A 608 1.932 -6.024 6.970 1.00 53.42 H new ATOM 0 HD21 LEU A 608 -0.525 -7.755 7.442 1.00 52.14 H new ATOM 0 HD22 LEU A 608 0.107 -6.591 8.630 1.00 52.14 H new ATOM 0 HD23 LEU A 608 -1.584 -6.480 8.088 1.00 52.14 H new ATOM 424 N THR A 609 -0.080 -1.750 9.206 1.00 31.20 N ATOM 425 CA THR A 609 -0.219 -0.319 9.369 1.00 30.21 C ATOM 426 C THR A 609 0.993 0.256 10.088 1.00 52.04 C ATOM 427 O THR A 609 1.409 -0.250 11.134 1.00 51.10 O ATOM 428 CB THR A 609 -1.479 -0.033 10.209 1.00 31.53 C ATOM 429 OG1 THR A 609 -2.594 -0.732 9.642 1.00 45.24 O ATOM 430 CG2 THR A 609 -1.792 1.449 10.248 1.00 71.12 C ATOM 0 H THR A 609 -0.657 -2.290 9.851 1.00 31.20 H new ATOM 0 HA THR A 609 -0.300 0.144 8.385 1.00 30.21 H new ATOM 0 HB THR A 609 -1.293 -0.372 11.228 1.00 31.53 H new ATOM 0 HG1 THR A 609 -2.986 -0.194 8.923 1.00 45.24 H new ATOM 0 HG21 THR A 609 -2.686 1.616 10.848 1.00 71.12 H new ATOM 0 HG22 THR A 609 -0.953 1.987 10.689 1.00 71.12 H new ATOM 0 HG23 THR A 609 -1.963 1.812 9.234 1.00 71.12 H new ATOM 436 N LYS A 610 1.567 1.292 9.523 1.00 3.44 N ATOM 437 CA LYS A 610 2.678 1.951 10.140 1.00 63.15 C ATOM 438 C LYS A 610 2.489 3.450 10.110 1.00 63.50 C ATOM 439 O LYS A 610 2.022 3.994 9.121 1.00 2.15 O ATOM 440 CB LYS A 610 3.972 1.625 9.401 1.00 24.40 C ATOM 441 CG LYS A 610 4.395 0.176 9.421 1.00 52.31 C ATOM 442 CD LYS A 610 5.757 0.014 8.785 1.00 73.53 C ATOM 443 CE LYS A 610 6.260 -1.410 8.886 1.00 21.13 C ATOM 444 NZ LYS A 610 7.583 -1.560 8.251 1.00 34.02 N ATOM 0 H LYS A 610 1.276 1.693 8.632 1.00 3.44 H new ATOM 0 HA LYS A 610 2.736 1.601 11.171 1.00 63.15 H new ATOM 0 HB2 LYS A 610 3.863 1.937 8.362 1.00 24.40 H new ATOM 0 HB3 LYS A 610 4.775 2.224 9.832 1.00 24.40 H new ATOM 0 HG2 LYS A 610 4.421 -0.187 10.448 1.00 52.31 H new ATOM 0 HG3 LYS A 610 3.663 -0.430 8.887 1.00 52.31 H new ATOM 0 HD2 LYS A 610 5.706 0.308 7.737 1.00 73.53 H new ATOM 0 HD3 LYS A 610 6.466 0.685 9.269 1.00 73.53 H new ATOM 0 HE2 LYS A 610 6.323 -1.702 9.934 1.00 21.13 H new ATOM 0 HE3 LYS A 610 5.548 -2.084 8.410 1.00 21.13 H new ATOM 0 HZ1 LYS A 610 7.900 -2.547 8.337 1.00 34.02 H new ATOM 0 HZ2 LYS A 610 7.516 -1.304 7.245 1.00 34.02 H new ATOM 0 HZ3 LYS A 610 8.267 -0.935 8.722 1.00 34.02 H new ATOM 458 N LYS A 611 2.874 4.122 11.177 1.00 5.42 N ATOM 459 CA LYS A 611 2.882 5.577 11.191 1.00 13.25 C ATOM 460 C LYS A 611 4.034 6.082 10.344 1.00 14.41 C ATOM 461 O LYS A 611 3.987 7.171 9.787 1.00 64.41 O ATOM 462 CB LYS A 611 2.964 6.140 12.599 1.00 55.00 C ATOM 463 CG LYS A 611 1.774 5.794 13.482 1.00 43.12 C ATOM 464 CD LYS A 611 1.890 6.451 14.850 1.00 31.41 C ATOM 465 CE LYS A 611 1.876 7.975 14.753 1.00 51.33 C ATOM 466 NZ LYS A 611 2.012 8.610 16.072 1.00 5.03 N ATOM 0 H LYS A 611 3.185 3.687 12.046 1.00 5.42 H new ATOM 0 HA LYS A 611 1.937 5.923 10.771 1.00 13.25 H new ATOM 0 HB2 LYS A 611 3.873 5.770 13.073 1.00 55.00 H new ATOM 0 HB3 LYS A 611 3.054 7.225 12.539 1.00 55.00 H new ATOM 0 HG2 LYS A 611 0.853 6.118 12.998 1.00 43.12 H new ATOM 0 HG3 LYS A 611 1.709 4.712 13.600 1.00 43.12 H new ATOM 0 HD2 LYS A 611 1.066 6.120 15.483 1.00 31.41 H new ATOM 0 HD3 LYS A 611 2.812 6.126 15.332 1.00 31.41 H new ATOM 0 HE2 LYS A 611 2.689 8.305 14.106 1.00 51.33 H new ATOM 0 HE3 LYS A 611 0.946 8.301 14.288 1.00 51.33 H new ATOM 0 HZ1 LYS A 611 1.998 9.644 15.963 1.00 5.03 H new ATOM 0 HZ2 LYS A 611 1.223 8.316 16.682 1.00 5.03 H new ATOM 0 HZ3 LYS A 611 2.912 8.320 16.506 1.00 5.03 H new ATOM 480 N ASP A 612 5.082 5.270 10.279 1.00 2.50 N ATOM 481 CA ASP A 612 6.266 5.554 9.463 1.00 13.43 C ATOM 482 C ASP A 612 5.903 5.440 7.989 1.00 24.24 C ATOM 483 O ASP A 612 6.535 6.063 7.111 1.00 21.03 O ATOM 484 CB ASP A 612 7.398 4.577 9.837 1.00 14.05 C ATOM 485 CG ASP A 612 8.680 4.795 9.061 1.00 0.34 C ATOM 486 OD1 ASP A 612 9.330 5.846 9.251 1.00 61.45 O ATOM 487 OD2 ASP A 612 9.087 3.893 8.286 1.00 12.21 O ATOM 0 H ASP A 612 5.139 4.390 10.792 1.00 2.50 H new ATOM 0 HA ASP A 612 6.617 6.568 9.653 1.00 13.43 H new ATOM 0 HB2 ASP A 612 7.609 4.672 10.902 1.00 14.05 H new ATOM 0 HB3 ASP A 612 7.053 3.556 9.670 1.00 14.05 H new ATOM 492 N ALA A 613 4.848 4.655 7.744 1.00 24.43 N ATOM 493 CA ALA A 613 4.261 4.442 6.434 1.00 11.14 C ATOM 494 C ALA A 613 5.212 3.773 5.457 1.00 14.14 C ATOM 495 O ALA A 613 6.352 3.439 5.784 1.00 14.34 O ATOM 496 CB ALA A 613 3.720 5.743 5.873 1.00 73.42 C ATOM 0 H ALA A 613 4.370 4.138 8.482 1.00 24.43 H new ATOM 0 HA ALA A 613 3.432 3.748 6.570 1.00 11.14 H new ATOM 0 HB1 ALA A 613 3.284 5.562 4.890 1.00 73.42 H new ATOM 0 HB2 ALA A 613 2.955 6.138 6.542 1.00 73.42 H new ATOM 0 HB3 ALA A 613 4.531 6.465 5.783 1.00 73.42 H new ATOM 502 N TYR A 614 4.724 3.543 4.281 1.00 2.14 N ATOM 503 CA TYR A 614 5.481 2.915 3.244 1.00 73.34 C ATOM 504 C TYR A 614 5.625 3.856 2.062 1.00 62.42 C ATOM 505 O TYR A 614 4.643 4.477 1.632 1.00 52.45 O ATOM 506 CB TYR A 614 4.759 1.643 2.794 1.00 3.52 C ATOM 507 CG TYR A 614 4.638 0.558 3.853 1.00 62.24 C ATOM 508 CD1 TYR A 614 3.800 0.702 4.964 1.00 51.23 C ATOM 509 CD2 TYR A 614 5.344 -0.627 3.727 1.00 54.35 C ATOM 510 CE1 TYR A 614 3.686 -0.277 5.886 1.00 72.41 C ATOM 511 CE2 TYR A 614 5.233 -1.628 4.660 1.00 34.12 C ATOM 512 CZ TYR A 614 4.395 -1.442 5.743 1.00 25.24 C ATOM 513 OH TYR A 614 4.264 -2.416 6.682 1.00 14.30 O ATOM 0 H TYR A 614 3.773 3.790 4.008 1.00 2.14 H new ATOM 0 HA TYR A 614 6.472 2.666 3.624 1.00 73.34 H new ATOM 0 HB2 TYR A 614 3.758 1.912 2.457 1.00 3.52 H new ATOM 0 HB3 TYR A 614 5.285 1.231 1.933 1.00 3.52 H new ATOM 0 HD1 TYR A 614 3.234 1.614 5.086 1.00 51.23 H new ATOM 0 HD2 TYR A 614 5.995 -0.766 2.877 1.00 54.35 H new ATOM 0 HE1 TYR A 614 3.035 -0.143 6.738 1.00 72.41 H new ATOM 0 HE2 TYR A 614 5.791 -2.546 4.549 1.00 34.12 H new ATOM 0 HH TYR A 614 3.390 -2.335 7.118 1.00 14.30 H new ATOM 523 N LYS A 615 6.830 3.990 1.558 1.00 10.02 N ATOM 524 CA LYS A 615 7.055 4.765 0.362 1.00 63.34 C ATOM 525 C LYS A 615 7.466 3.829 -0.771 1.00 20.43 C ATOM 526 O LYS A 615 8.205 2.853 -0.553 1.00 43.34 O ATOM 527 CB LYS A 615 8.156 5.845 0.533 1.00 2.03 C ATOM 528 CG LYS A 615 8.369 6.688 -0.728 1.00 23.12 C ATOM 529 CD LYS A 615 9.766 7.332 -0.777 1.00 33.43 C ATOM 530 CE LYS A 615 10.077 8.259 0.381 1.00 54.45 C ATOM 531 NZ LYS A 615 11.432 8.847 0.268 1.00 62.02 N ATOM 0 H LYS A 615 7.670 3.572 1.959 1.00 10.02 H new ATOM 0 HA LYS A 615 6.121 5.281 0.139 1.00 63.34 H new ATOM 0 HB2 LYS A 615 7.888 6.501 1.361 1.00 2.03 H new ATOM 0 HB3 LYS A 615 9.094 5.360 0.802 1.00 2.03 H new ATOM 0 HG2 LYS A 615 8.231 6.060 -1.608 1.00 23.12 H new ATOM 0 HG3 LYS A 615 7.610 7.470 -0.771 1.00 23.12 H new ATOM 0 HD2 LYS A 615 10.515 6.541 -0.803 1.00 33.43 H new ATOM 0 HD3 LYS A 615 9.861 7.891 -1.708 1.00 33.43 H new ATOM 0 HE2 LYS A 615 9.336 9.058 0.416 1.00 54.45 H new ATOM 0 HE3 LYS A 615 9.997 7.709 1.318 1.00 54.45 H new ATOM 0 HZ1 LYS A 615 11.607 9.475 1.079 1.00 62.02 H new ATOM 0 HZ2 LYS A 615 12.141 8.086 0.260 1.00 62.02 H new ATOM 0 HZ3 LYS A 615 11.501 9.393 -0.614 1.00 62.02 H new ATOM 545 N VAL A 616 6.955 4.102 -1.929 1.00 51.32 N ATOM 546 CA VAL A 616 7.335 3.438 -3.144 1.00 31.04 C ATOM 547 C VAL A 616 8.009 4.499 -4.002 1.00 62.21 C ATOM 548 O VAL A 616 7.549 5.645 -4.027 1.00 14.30 O ATOM 549 CB VAL A 616 6.094 2.897 -3.891 1.00 51.32 C ATOM 550 CG1 VAL A 616 6.493 2.141 -5.143 1.00 51.51 C ATOM 551 CG2 VAL A 616 5.238 2.029 -2.981 1.00 11.14 C ATOM 0 H VAL A 616 6.239 4.815 -2.064 1.00 51.32 H new ATOM 0 HA VAL A 616 7.988 2.591 -2.934 1.00 31.04 H new ATOM 0 HB VAL A 616 5.494 3.755 -4.196 1.00 51.32 H new ATOM 0 HG11 VAL A 616 5.599 1.773 -5.646 1.00 51.51 H new ATOM 0 HG12 VAL A 616 7.038 2.807 -5.812 1.00 51.51 H new ATOM 0 HG13 VAL A 616 7.130 1.299 -4.872 1.00 51.51 H new ATOM 0 HG21 VAL A 616 4.373 1.664 -3.535 1.00 11.14 H new ATOM 0 HG22 VAL A 616 5.826 1.182 -2.627 1.00 11.14 H new ATOM 0 HG23 VAL A 616 4.900 2.618 -2.128 1.00 11.14 H new ATOM 557 N GLU A 617 9.055 4.151 -4.698 1.00 31.32 N ATOM 558 CA GLU A 617 9.798 5.141 -5.445 1.00 22.23 C ATOM 559 C GLU A 617 9.686 4.891 -6.938 1.00 22.22 C ATOM 560 O GLU A 617 9.672 3.734 -7.383 1.00 33.20 O ATOM 561 CB GLU A 617 11.302 5.151 -5.077 1.00 50.42 C ATOM 562 CG GLU A 617 11.679 5.416 -3.611 1.00 33.14 C ATOM 563 CD GLU A 617 11.400 4.262 -2.672 1.00 64.42 C ATOM 564 OE1 GLU A 617 12.172 3.266 -2.685 1.00 34.21 O ATOM 565 OE2 GLU A 617 10.469 4.339 -1.883 1.00 70.31 O ATOM 0 H GLU A 617 9.414 3.199 -4.767 1.00 31.32 H new ATOM 0 HA GLU A 617 9.360 6.104 -5.183 1.00 22.23 H new ATOM 0 HB2 GLU A 617 11.723 4.187 -5.362 1.00 50.42 H new ATOM 0 HB3 GLU A 617 11.792 5.907 -5.691 1.00 50.42 H new ATOM 0 HG2 GLU A 617 12.740 5.660 -3.561 1.00 33.14 H new ATOM 0 HG3 GLU A 617 11.133 6.292 -3.261 1.00 33.14 H new ATOM 572 N THR A 618 9.606 5.965 -7.706 1.00 61.33 N ATOM 573 CA THR A 618 9.622 5.884 -9.144 1.00 33.31 C ATOM 574 C THR A 618 10.647 6.914 -9.624 1.00 2.02 C ATOM 575 O THR A 618 11.413 7.455 -8.789 1.00 11.24 O ATOM 576 CB THR A 618 8.223 6.185 -9.782 1.00 42.03 C ATOM 577 OG1 THR A 618 7.806 7.506 -9.461 1.00 64.13 O ATOM 578 CG2 THR A 618 7.158 5.216 -9.302 1.00 73.21 C ATOM 0 H THR A 618 9.528 6.915 -7.343 1.00 61.33 H new ATOM 0 HA THR A 618 9.880 4.870 -9.449 1.00 33.31 H new ATOM 0 HB THR A 618 8.339 6.073 -10.860 1.00 42.03 H new ATOM 0 HG1 THR A 618 8.261 7.803 -8.645 1.00 64.13 H new ATOM 0 HG21 THR A 618 6.205 5.462 -9.770 1.00 73.21 H new ATOM 0 HG22 THR A 618 7.443 4.199 -9.572 1.00 73.21 H new ATOM 0 HG23 THR A 618 7.060 5.290 -8.219 1.00 73.21 H new ATOM 584 N ASP A 619 10.675 7.196 -10.913 1.00 11.02 N ATOM 585 CA ASP A 619 11.621 8.153 -11.473 1.00 42.11 C ATOM 586 C ASP A 619 11.466 9.536 -10.864 1.00 35.31 C ATOM 587 O ASP A 619 12.403 10.058 -10.267 1.00 53.13 O ATOM 588 CB ASP A 619 11.519 8.232 -12.992 1.00 54.21 C ATOM 589 CG ASP A 619 12.508 9.225 -13.579 1.00 34.03 C ATOM 590 OD1 ASP A 619 13.704 8.889 -13.697 1.00 31.43 O ATOM 591 OD2 ASP A 619 12.104 10.361 -13.921 1.00 13.21 O ATOM 0 H ASP A 619 10.050 6.774 -11.600 1.00 11.02 H new ATOM 0 HA ASP A 619 12.613 7.782 -11.217 1.00 42.11 H new ATOM 0 HB2 ASP A 619 11.699 7.245 -13.419 1.00 54.21 H new ATOM 0 HB3 ASP A 619 10.506 8.521 -13.273 1.00 54.21 H new ATOM 596 N LYS A 620 10.290 10.126 -10.979 1.00 71.35 N ATOM 597 CA LYS A 620 10.117 11.468 -10.447 1.00 5.00 C ATOM 598 C LYS A 620 9.018 11.581 -9.414 1.00 4.30 C ATOM 599 O LYS A 620 8.734 12.673 -8.916 1.00 75.03 O ATOM 600 CB LYS A 620 10.003 12.579 -11.536 1.00 3.42 C ATOM 601 CG LYS A 620 8.853 12.495 -12.524 1.00 15.31 C ATOM 602 CD LYS A 620 8.960 11.329 -13.488 1.00 33.32 C ATOM 603 CE LYS A 620 7.768 11.296 -14.422 1.00 4.01 C ATOM 604 NZ LYS A 620 7.832 10.163 -15.372 1.00 41.44 N ATOM 0 H LYS A 620 9.466 9.716 -11.419 1.00 71.35 H new ATOM 0 HA LYS A 620 11.054 11.655 -9.922 1.00 5.00 H new ATOM 0 HB2 LYS A 620 9.936 13.540 -11.026 1.00 3.42 H new ATOM 0 HB3 LYS A 620 10.932 12.585 -12.105 1.00 3.42 H new ATOM 0 HG2 LYS A 620 7.917 12.413 -11.972 1.00 15.31 H new ATOM 0 HG3 LYS A 620 8.807 13.423 -13.094 1.00 15.31 H new ATOM 0 HD2 LYS A 620 9.880 11.412 -14.067 1.00 33.32 H new ATOM 0 HD3 LYS A 620 9.018 10.394 -12.931 1.00 33.32 H new ATOM 0 HE2 LYS A 620 6.852 11.225 -13.836 1.00 4.01 H new ATOM 0 HE3 LYS A 620 7.719 12.232 -14.978 1.00 4.01 H new ATOM 0 HZ1 LYS A 620 6.996 10.181 -15.991 1.00 41.44 H new ATOM 0 HZ2 LYS A 620 8.693 10.243 -15.950 1.00 41.44 H new ATOM 0 HZ3 LYS A 620 7.852 9.268 -14.843 1.00 41.44 H new ATOM 618 N TYR A 621 8.418 10.486 -9.066 1.00 31.43 N ATOM 619 CA TYR A 621 7.379 10.496 -8.054 1.00 14.14 C ATOM 620 C TYR A 621 7.675 9.471 -6.996 1.00 60.42 C ATOM 621 O TYR A 621 8.487 8.558 -7.202 1.00 0.33 O ATOM 622 CB TYR A 621 5.968 10.260 -8.668 1.00 21.13 C ATOM 623 CG TYR A 621 5.485 11.391 -9.559 1.00 31.31 C ATOM 624 CD1 TYR A 621 6.105 11.651 -10.753 1.00 24.41 C ATOM 625 CD2 TYR A 621 4.424 12.201 -9.186 1.00 23.54 C ATOM 626 CE1 TYR A 621 5.706 12.683 -11.573 1.00 0.32 C ATOM 627 CE2 TYR A 621 4.000 13.243 -10.002 1.00 25.32 C ATOM 628 CZ TYR A 621 4.651 13.479 -11.197 1.00 11.30 C ATOM 629 OH TYR A 621 4.251 14.529 -12.018 1.00 12.24 O ATOM 0 H TYR A 621 8.621 9.568 -9.461 1.00 31.43 H new ATOM 0 HA TYR A 621 7.371 11.486 -7.597 1.00 14.14 H new ATOM 0 HB2 TYR A 621 5.985 9.337 -9.247 1.00 21.13 H new ATOM 0 HB3 TYR A 621 5.251 10.116 -7.860 1.00 21.13 H new ATOM 0 HD1 TYR A 621 6.932 11.028 -11.060 1.00 24.41 H new ATOM 0 HD2 TYR A 621 3.920 12.020 -8.248 1.00 23.54 H new ATOM 0 HE1 TYR A 621 6.219 12.865 -12.506 1.00 0.32 H new ATOM 0 HE2 TYR A 621 3.168 13.863 -9.704 1.00 25.32 H new ATOM 0 HH TYR A 621 3.491 14.993 -11.609 1.00 12.24 H new ATOM 639 N GLU A 622 7.075 9.628 -5.889 1.00 13.21 N ATOM 640 CA GLU A 622 7.169 8.688 -4.833 1.00 45.14 C ATOM 641 C GLU A 622 5.796 8.565 -4.246 1.00 12.42 C ATOM 642 O GLU A 622 5.033 9.556 -4.194 1.00 4.22 O ATOM 643 CB GLU A 622 8.184 9.135 -3.783 1.00 43.02 C ATOM 644 CG GLU A 622 7.814 10.423 -3.117 1.00 3.13 C ATOM 645 CD GLU A 622 8.850 10.915 -2.151 1.00 73.41 C ATOM 646 OE1 GLU A 622 9.772 11.620 -2.560 1.00 41.35 O ATOM 647 OE2 GLU A 622 8.741 10.610 -0.956 1.00 31.25 O ATOM 0 H GLU A 622 6.486 10.433 -5.677 1.00 13.21 H new ATOM 0 HA GLU A 622 7.520 7.724 -5.201 1.00 45.14 H new ATOM 0 HB2 GLU A 622 8.281 8.357 -3.026 1.00 43.02 H new ATOM 0 HB3 GLU A 622 9.161 9.245 -4.254 1.00 43.02 H new ATOM 0 HG2 GLU A 622 7.650 11.184 -3.880 1.00 3.13 H new ATOM 0 HG3 GLU A 622 6.869 10.292 -2.589 1.00 3.13 H new ATOM 654 N PHE A 623 5.448 7.404 -3.855 1.00 12.35 N ATOM 655 CA PHE A 623 4.141 7.181 -3.348 1.00 61.43 C ATOM 656 C PHE A 623 4.213 6.790 -1.902 1.00 0.45 C ATOM 657 O PHE A 623 4.916 5.863 -1.550 1.00 52.32 O ATOM 658 CB PHE A 623 3.419 6.080 -4.140 1.00 71.23 C ATOM 659 CG PHE A 623 3.221 6.362 -5.612 1.00 73.43 C ATOM 660 CD1 PHE A 623 4.260 6.201 -6.517 1.00 22.41 C ATOM 661 CD2 PHE A 623 1.990 6.772 -6.089 1.00 60.41 C ATOM 662 CE1 PHE A 623 4.072 6.450 -7.858 1.00 5.20 C ATOM 663 CE2 PHE A 623 1.800 7.021 -7.429 1.00 44.24 C ATOM 664 CZ PHE A 623 2.843 6.860 -8.314 1.00 43.23 C ATOM 0 H PHE A 623 6.050 6.581 -3.874 1.00 12.35 H new ATOM 0 HA PHE A 623 3.577 8.108 -3.452 1.00 61.43 H new ATOM 0 HB2 PHE A 623 3.984 5.153 -4.038 1.00 71.23 H new ATOM 0 HB3 PHE A 623 2.443 5.910 -3.686 1.00 71.23 H new ATOM 0 HD1 PHE A 623 5.228 5.876 -6.165 1.00 22.41 H new ATOM 0 HD2 PHE A 623 1.167 6.899 -5.401 1.00 60.41 H new ATOM 0 HE1 PHE A 623 4.891 6.323 -8.551 1.00 5.20 H new ATOM 0 HE2 PHE A 623 0.833 7.343 -7.787 1.00 44.24 H new ATOM 0 HZ PHE A 623 2.695 7.056 -9.366 1.00 43.23 H new ATOM 674 N HIS A 624 3.523 7.502 -1.077 1.00 52.44 N ATOM 675 CA HIS A 624 3.428 7.145 0.309 1.00 61.23 C ATOM 676 C HIS A 624 2.067 6.635 0.579 1.00 70.15 C ATOM 677 O HIS A 624 1.082 7.316 0.317 1.00 22.30 O ATOM 678 CB HIS A 624 3.682 8.326 1.221 1.00 1.24 C ATOM 679 CG HIS A 624 5.050 8.867 1.144 1.00 14.32 C ATOM 680 ND1 HIS A 624 6.078 8.383 1.899 1.00 15.45 N ATOM 681 CD2 HIS A 624 5.574 9.856 0.391 1.00 65.33 C ATOM 682 CE1 HIS A 624 7.164 9.031 1.618 1.00 73.34 C ATOM 683 NE2 HIS A 624 6.894 9.936 0.709 1.00 33.45 N ATOM 0 H HIS A 624 3.009 8.344 -1.336 1.00 52.44 H new ATOM 0 HA HIS A 624 4.187 6.389 0.509 1.00 61.23 H new ATOM 0 HB2 HIS A 624 2.976 9.119 0.975 1.00 1.24 H new ATOM 0 HB3 HIS A 624 3.479 8.026 2.249 1.00 1.24 H new ATOM 0 HD2 HIS A 624 5.047 10.467 -0.327 1.00 65.33 H new ATOM 0 HE1 HIS A 624 8.133 8.854 2.060 1.00 73.34 H new ATOM 0 HE2 HIS A 624 7.563 10.592 0.307 1.00 33.45 H new ATOM 692 N ILE A 625 2.001 5.461 1.106 1.00 12.03 N ATOM 693 CA ILE A 625 0.748 4.842 1.408 1.00 71.21 C ATOM 694 C ILE A 625 0.873 4.151 2.743 1.00 61.35 C ATOM 695 O ILE A 625 1.991 3.828 3.195 1.00 60.34 O ATOM 696 CB ILE A 625 0.316 3.782 0.333 1.00 0.44 C ATOM 697 CG1 ILE A 625 1.282 2.606 0.340 1.00 44.55 C ATOM 698 CG2 ILE A 625 0.226 4.397 -1.067 1.00 4.11 C ATOM 699 CD1 ILE A 625 0.993 1.536 -0.694 1.00 65.02 C ATOM 0 H ILE A 625 2.817 4.897 1.343 1.00 12.03 H new ATOM 0 HA ILE A 625 -0.014 5.622 1.420 1.00 71.21 H new ATOM 0 HB ILE A 625 -0.680 3.426 0.596 1.00 0.44 H new ATOM 0 HG12 ILE A 625 2.292 2.983 0.179 1.00 44.55 H new ATOM 0 HG13 ILE A 625 1.267 2.148 1.329 1.00 44.55 H new ATOM 0 HG21 ILE A 625 -0.076 3.632 -1.782 1.00 4.11 H new ATOM 0 HG22 ILE A 625 -0.510 5.201 -1.064 1.00 4.11 H new ATOM 0 HG23 ILE A 625 1.199 4.796 -1.352 1.00 4.11 H new ATOM 0 HD11 ILE A 625 1.734 0.741 -0.611 1.00 65.02 H new ATOM 0 HD12 ILE A 625 -0.002 1.124 -0.523 1.00 65.02 H new ATOM 0 HD13 ILE A 625 1.039 1.972 -1.692 1.00 65.02 H new ATOM 706 N ASN A 626 -0.213 3.970 3.373 1.00 32.11 N ATOM 707 CA ASN A 626 -0.268 3.239 4.610 1.00 3.25 C ATOM 708 C ASN A 626 -1.433 2.283 4.524 1.00 75.03 C ATOM 709 O ASN A 626 -2.383 2.543 3.785 1.00 44.43 O ATOM 710 CB ASN A 626 -0.442 4.199 5.798 1.00 75.31 C ATOM 711 CG ASN A 626 -0.453 3.494 7.145 1.00 21.35 C ATOM 712 OD1 ASN A 626 0.180 2.440 7.325 1.00 31.41 O ATOM 713 ND2 ASN A 626 -1.149 4.060 8.092 1.00 34.43 N ATOM 0 H ASN A 626 -1.116 4.323 3.056 1.00 32.11 H new ATOM 0 HA ASN A 626 0.661 2.691 4.768 1.00 3.25 H new ATOM 0 HB2 ASN A 626 0.365 4.931 5.786 1.00 75.31 H new ATOM 0 HB3 ASN A 626 -1.374 4.751 5.677 1.00 75.31 H new ATOM 0 HD21 ASN A 626 -1.187 3.637 9.019 1.00 34.43 H new ATOM 0 HD22 ASN A 626 -1.655 4.925 7.905 1.00 34.43 H new ATOM 719 N VAL A 627 -1.356 1.179 5.220 1.00 61.23 N ATOM 720 CA VAL A 627 -2.440 0.232 5.237 1.00 74.32 C ATOM 721 C VAL A 627 -3.436 0.655 6.261 1.00 71.13 C ATOM 722 O VAL A 627 -3.165 0.576 7.448 1.00 63.42 O ATOM 723 CB VAL A 627 -1.974 -1.209 5.541 1.00 33.02 C ATOM 724 CG1 VAL A 627 -3.165 -2.161 5.605 1.00 24.21 C ATOM 725 CG2 VAL A 627 -1.013 -1.671 4.483 1.00 12.43 C ATOM 0 H VAL A 627 -0.550 0.913 5.785 1.00 61.23 H new ATOM 0 HA VAL A 627 -2.881 0.222 4.240 1.00 74.32 H new ATOM 0 HB VAL A 627 -1.475 -1.211 6.510 1.00 33.02 H new ATOM 0 HG11 VAL A 627 -2.813 -3.170 5.820 1.00 24.21 H new ATOM 0 HG12 VAL A 627 -3.846 -1.839 6.392 1.00 24.21 H new ATOM 0 HG13 VAL A 627 -3.687 -2.155 4.648 1.00 24.21 H new ATOM 0 HG21 VAL A 627 -0.689 -2.688 4.705 1.00 12.43 H new ATOM 0 HG22 VAL A 627 -1.505 -1.651 3.511 1.00 12.43 H new ATOM 0 HG23 VAL A 627 -0.146 -1.010 4.465 1.00 12.43 H new ATOM 731 N CYS A 628 -4.556 1.138 5.779 1.00 13.21 N ATOM 732 CA CYS A 628 -5.679 1.580 6.580 1.00 4.52 C ATOM 733 C CYS A 628 -5.402 2.944 7.223 1.00 65.42 C ATOM 734 O CYS A 628 -4.270 3.264 7.623 1.00 14.11 O ATOM 735 CB CYS A 628 -6.019 0.496 7.650 1.00 75.52 C ATOM 736 SG CYS A 628 -7.334 0.919 8.828 1.00 0.34 S ATOM 0 H CYS A 628 -4.719 1.239 4.777 1.00 13.21 H new ATOM 0 HA CYS A 628 -6.546 1.709 5.932 1.00 4.52 H new ATOM 0 HB2 CYS A 628 -6.304 -0.419 7.132 1.00 75.52 H new ATOM 0 HB3 CYS A 628 -5.113 0.274 8.213 1.00 75.52 H new ATOM 741 N GLY A 629 -6.448 3.724 7.334 1.00 21.42 N ATOM 742 CA GLY A 629 -6.368 5.003 7.976 1.00 64.25 C ATOM 743 C GLY A 629 -5.602 6.004 7.153 1.00 13.31 C ATOM 744 O GLY A 629 -5.559 5.913 5.925 1.00 51.31 O ATOM 0 H GLY A 629 -7.375 3.487 6.981 1.00 21.42 H new ATOM 0 HA2 GLY A 629 -7.374 5.380 8.159 1.00 64.25 H new ATOM 0 HA3 GLY A 629 -5.888 4.891 8.948 1.00 64.25 H new ATOM 748 N PRO A 630 -5.046 7.003 7.798 1.00 13.12 N ATOM 749 CA PRO A 630 -4.214 7.993 7.148 1.00 62.10 C ATOM 750 C PRO A 630 -2.756 7.560 7.023 1.00 54.04 C ATOM 751 O PRO A 630 -2.336 6.533 7.577 1.00 35.25 O ATOM 752 CB PRO A 630 -4.298 9.159 8.095 1.00 61.33 C ATOM 753 CG PRO A 630 -4.444 8.532 9.440 1.00 2.23 C ATOM 754 CD PRO A 630 -5.232 7.291 9.234 1.00 44.43 C ATOM 0 HA PRO A 630 -4.546 8.190 6.129 1.00 62.10 H new ATOM 0 HB2 PRO A 630 -3.404 9.781 8.041 1.00 61.33 H new ATOM 0 HB3 PRO A 630 -5.147 9.801 7.861 1.00 61.33 H new ATOM 0 HG2 PRO A 630 -3.469 8.307 9.873 1.00 2.23 H new ATOM 0 HG3 PRO A 630 -4.952 9.205 10.131 1.00 2.23 H new ATOM 0 HD2 PRO A 630 -4.867 6.475 9.858 1.00 44.43 H new ATOM 0 HD3 PRO A 630 -6.283 7.437 9.482 1.00 44.43 H new ATOM 762 N VAL A 631 -2.002 8.343 6.307 1.00 35.12 N ATOM 763 CA VAL A 631 -0.601 8.133 6.167 1.00 44.52 C ATOM 764 C VAL A 631 0.111 9.289 6.867 1.00 53.31 C ATOM 765 O VAL A 631 -0.247 10.460 6.673 1.00 15.31 O ATOM 766 CB VAL A 631 -0.183 8.035 4.665 1.00 45.45 C ATOM 767 CG1 VAL A 631 -0.428 9.296 3.874 1.00 53.13 C ATOM 768 CG2 VAL A 631 1.218 7.538 4.503 1.00 12.42 C ATOM 0 H VAL A 631 -2.354 9.155 5.799 1.00 35.12 H new ATOM 0 HA VAL A 631 -0.319 7.184 6.623 1.00 44.52 H new ATOM 0 HB VAL A 631 -0.850 7.290 4.232 1.00 45.45 H new ATOM 0 HG11 VAL A 631 -0.111 9.145 2.842 1.00 53.13 H new ATOM 0 HG12 VAL A 631 -1.490 9.539 3.896 1.00 53.13 H new ATOM 0 HG13 VAL A 631 0.140 10.116 4.312 1.00 53.13 H new ATOM 0 HG21 VAL A 631 1.465 7.486 3.443 1.00 12.42 H new ATOM 0 HG22 VAL A 631 1.906 8.220 5.003 1.00 12.42 H new ATOM 0 HG23 VAL A 631 1.305 6.546 4.945 1.00 12.42 H new ATOM 774 N SER A 632 1.067 8.987 7.698 1.00 21.42 N ATOM 775 CA SER A 632 1.735 10.023 8.426 1.00 1.10 C ATOM 776 C SER A 632 3.051 10.407 7.772 1.00 4.12 C ATOM 777 O SER A 632 4.128 9.977 8.194 1.00 41.25 O ATOM 778 CB SER A 632 1.920 9.640 9.900 1.00 22.34 C ATOM 779 OG SER A 632 2.533 10.682 10.633 1.00 34.30 O ATOM 0 H SER A 632 1.398 8.041 7.886 1.00 21.42 H new ATOM 0 HA SER A 632 1.097 10.906 8.399 1.00 1.10 H new ATOM 0 HB2 SER A 632 0.951 9.405 10.340 1.00 22.34 H new ATOM 0 HB3 SER A 632 2.528 8.738 9.969 1.00 22.34 H new ATOM 0 HG SER A 632 2.635 10.408 11.568 1.00 34.30 H new ATOM 785 N VAL A 633 2.957 11.153 6.699 1.00 62.24 N ATOM 786 CA VAL A 633 4.133 11.635 6.009 1.00 12.51 C ATOM 787 C VAL A 633 4.133 13.142 6.012 1.00 31.22 C ATOM 788 O VAL A 633 3.077 13.765 5.839 1.00 75.32 O ATOM 789 CB VAL A 633 4.169 11.149 4.543 1.00 2.22 C ATOM 790 CG1 VAL A 633 5.451 11.568 3.839 1.00 54.23 C ATOM 791 CG2 VAL A 633 3.995 9.668 4.482 1.00 51.33 C ATOM 0 H VAL A 633 2.073 11.442 6.281 1.00 62.24 H new ATOM 0 HA VAL A 633 5.008 11.245 6.529 1.00 12.51 H new ATOM 0 HB VAL A 633 3.340 11.624 4.018 1.00 2.22 H new ATOM 0 HG11 VAL A 633 5.436 11.207 2.811 1.00 54.23 H new ATOM 0 HG12 VAL A 633 5.528 12.655 3.840 1.00 54.23 H new ATOM 0 HG13 VAL A 633 6.308 11.143 4.361 1.00 54.23 H new ATOM 0 HG21 VAL A 633 4.023 9.341 3.443 1.00 51.33 H new ATOM 0 HG22 VAL A 633 4.799 9.184 5.036 1.00 51.33 H new ATOM 0 HG23 VAL A 633 3.036 9.396 4.923 1.00 51.33 H new ATOM 797 N GLY A 634 5.301 13.731 6.192 1.00 2.22 N ATOM 798 CA GLY A 634 5.439 15.172 6.158 1.00 72.34 C ATOM 799 C GLY A 634 5.408 15.710 4.738 1.00 41.43 C ATOM 800 O GLY A 634 6.345 16.363 4.288 1.00 51.44 O ATOM 0 H GLY A 634 6.172 13.228 6.364 1.00 2.22 H new ATOM 0 HA2 GLY A 634 4.635 15.628 6.737 1.00 72.34 H new ATOM 0 HA3 GLY A 634 6.377 15.458 6.634 1.00 72.34 H new ATOM 804 N ALA A 635 4.338 15.402 4.043 1.00 40.34 N ATOM 805 CA ALA A 635 4.125 15.834 2.680 1.00 11.23 C ATOM 806 C ALA A 635 2.635 15.949 2.406 1.00 52.25 C ATOM 807 O ALA A 635 2.199 16.712 1.536 1.00 23.53 O ATOM 808 CB ALA A 635 4.767 14.852 1.700 1.00 71.02 C ATOM 0 H ALA A 635 3.577 14.834 4.415 1.00 40.34 H new ATOM 0 HA ALA A 635 4.591 16.810 2.543 1.00 11.23 H new ATOM 0 HB1 ALA A 635 4.597 15.193 0.679 1.00 71.02 H new ATOM 0 HB2 ALA A 635 5.839 14.797 1.890 1.00 71.02 H new ATOM 0 HB3 ALA A 635 4.324 13.865 1.831 1.00 71.02 H new ATOM 814 N CYS A 636 1.850 15.202 3.154 1.00 61.22 N ATOM 815 CA CYS A 636 0.429 15.196 2.975 1.00 63.21 C ATOM 816 C CYS A 636 -0.297 15.273 4.316 1.00 23.50 C ATOM 817 O CYS A 636 0.209 14.777 5.336 1.00 3.42 O ATOM 818 CB CYS A 636 0.020 13.957 2.184 1.00 43.01 C ATOM 819 SG CYS A 636 0.616 12.383 2.887 1.00 24.11 S ATOM 0 H CYS A 636 2.185 14.588 3.897 1.00 61.22 H new ATOM 0 HA CYS A 636 0.139 16.081 2.409 1.00 63.21 H new ATOM 0 HB2 CYS A 636 -1.068 13.924 2.121 1.00 43.01 H new ATOM 0 HB3 CYS A 636 0.396 14.051 1.165 1.00 43.01 H new ATOM 824 N PRO A 637 -1.481 15.924 4.335 1.00 31.03 N ATOM 825 CA PRO A 637 -2.288 16.090 5.545 1.00 54.33 C ATOM 826 C PRO A 637 -2.776 14.752 6.118 1.00 64.42 C ATOM 827 O PRO A 637 -2.935 13.765 5.380 1.00 34.11 O ATOM 828 CB PRO A 637 -3.496 16.914 5.066 1.00 12.43 C ATOM 829 CG PRO A 637 -3.545 16.698 3.597 1.00 73.43 C ATOM 830 CD PRO A 637 -2.124 16.555 3.164 1.00 60.13 C ATOM 0 HA PRO A 637 -1.712 16.559 6.343 1.00 54.33 H new ATOM 0 HB2 PRO A 637 -4.417 16.582 5.546 1.00 12.43 H new ATOM 0 HB3 PRO A 637 -3.375 17.970 5.307 1.00 12.43 H new ATOM 0 HG2 PRO A 637 -4.121 15.806 3.351 1.00 73.43 H new ATOM 0 HG3 PRO A 637 -4.026 17.537 3.093 1.00 73.43 H new ATOM 0 HD2 PRO A 637 -2.034 15.935 2.272 1.00 60.13 H new ATOM 0 HD3 PRO A 637 -1.675 17.520 2.928 1.00 60.13 H new ATOM 838 N PRO A 638 -3.038 14.701 7.443 1.00 71.21 N ATOM 839 CA PRO A 638 -3.568 13.502 8.127 1.00 44.40 C ATOM 840 C PRO A 638 -4.902 13.004 7.528 1.00 33.30 C ATOM 841 O PRO A 638 -5.365 11.930 7.847 1.00 51.02 O ATOM 842 CB PRO A 638 -3.788 13.971 9.570 1.00 41.42 C ATOM 843 CG PRO A 638 -2.877 15.133 9.738 1.00 61.14 C ATOM 844 CD PRO A 638 -2.806 15.806 8.399 1.00 22.22 C ATOM 0 HA PRO A 638 -2.881 12.661 8.031 1.00 44.40 H new ATOM 0 HB2 PRO A 638 -4.827 14.256 9.739 1.00 41.42 H new ATOM 0 HB3 PRO A 638 -3.555 13.180 10.282 1.00 41.42 H new ATOM 0 HG2 PRO A 638 -3.255 15.817 10.498 1.00 61.14 H new ATOM 0 HG3 PRO A 638 -1.889 14.809 10.064 1.00 61.14 H new ATOM 0 HD2 PRO A 638 -3.561 16.586 8.302 1.00 22.22 H new ATOM 0 HD3 PRO A 638 -1.837 16.279 8.238 1.00 22.22 H new ATOM 852 N ASP A 639 -5.513 13.808 6.681 1.00 73.22 N ATOM 853 CA ASP A 639 -6.775 13.438 6.047 1.00 74.30 C ATOM 854 C ASP A 639 -6.553 12.460 4.896 1.00 15.23 C ATOM 855 O ASP A 639 -7.500 11.867 4.391 1.00 24.02 O ATOM 856 CB ASP A 639 -7.528 14.671 5.529 1.00 71.42 C ATOM 857 CG ASP A 639 -7.854 15.668 6.610 1.00 42.54 C ATOM 858 OD1 ASP A 639 -8.760 15.404 7.439 1.00 60.03 O ATOM 859 OD2 ASP A 639 -7.222 16.745 6.647 1.00 60.32 O ATOM 0 H ASP A 639 -5.159 14.726 6.411 1.00 73.22 H new ATOM 0 HA ASP A 639 -7.380 12.953 6.813 1.00 74.30 H new ATOM 0 HB2 ASP A 639 -6.926 15.160 4.763 1.00 71.42 H new ATOM 0 HB3 ASP A 639 -8.453 14.349 5.051 1.00 71.42 H new ATOM 864 N SER A 640 -5.312 12.294 4.479 1.00 25.43 N ATOM 865 CA SER A 640 -5.000 11.390 3.391 1.00 51.22 C ATOM 866 C SER A 640 -4.311 10.110 3.886 1.00 61.40 C ATOM 867 O SER A 640 -3.492 10.154 4.807 1.00 42.14 O ATOM 868 CB SER A 640 -4.180 12.110 2.300 1.00 65.13 C ATOM 869 OG SER A 640 -3.016 12.732 2.829 1.00 33.33 O ATOM 0 H SER A 640 -4.505 12.774 4.878 1.00 25.43 H new ATOM 0 HA SER A 640 -5.941 11.074 2.940 1.00 51.22 H new ATOM 0 HB2 SER A 640 -3.890 11.393 1.532 1.00 65.13 H new ATOM 0 HB3 SER A 640 -4.803 12.861 1.815 1.00 65.13 H new ATOM 0 HG SER A 640 -3.233 13.157 3.685 1.00 33.33 H new ATOM 875 N GLY A 641 -4.688 8.976 3.295 1.00 63.44 N ATOM 876 CA GLY A 641 -4.092 7.687 3.647 1.00 74.44 C ATOM 877 C GLY A 641 -3.082 7.228 2.623 1.00 14.14 C ATOM 878 O GLY A 641 -2.295 6.301 2.865 1.00 43.42 O ATOM 0 H GLY A 641 -5.404 8.924 2.570 1.00 63.44 H new ATOM 0 HA2 GLY A 641 -3.609 7.766 4.621 1.00 74.44 H new ATOM 0 HA3 GLY A 641 -4.879 6.938 3.740 1.00 74.44 H new ATOM 882 N ALA A 642 -3.108 7.866 1.484 1.00 4.11 N ATOM 883 CA ALA A 642 -2.174 7.614 0.424 1.00 70.13 C ATOM 884 C ALA A 642 -1.949 8.911 -0.309 1.00 33.50 C ATOM 885 O ALA A 642 -2.902 9.572 -0.742 1.00 1.44 O ATOM 886 CB ALA A 642 -2.691 6.529 -0.509 1.00 2.14 C ATOM 0 H ALA A 642 -3.793 8.589 1.264 1.00 4.11 H new ATOM 0 HA ALA A 642 -1.230 7.251 0.829 1.00 70.13 H new ATOM 0 HB1 ALA A 642 -1.965 6.356 -1.304 1.00 2.14 H new ATOM 0 HB2 ALA A 642 -2.840 5.607 0.053 1.00 2.14 H new ATOM 0 HB3 ALA A 642 -3.638 6.845 -0.945 1.00 2.14 H new ATOM 892 N CYS A 643 -0.720 9.299 -0.411 1.00 5.15 N ATOM 893 CA CYS A 643 -0.377 10.550 -1.013 1.00 21.35 C ATOM 894 C CYS A 643 0.860 10.418 -1.879 1.00 13.40 C ATOM 895 O CYS A 643 1.839 9.753 -1.498 1.00 71.13 O ATOM 896 CB CYS A 643 -0.181 11.633 0.055 1.00 12.41 C ATOM 897 SG CYS A 643 1.174 11.318 1.250 1.00 14.25 S ATOM 0 H CYS A 643 0.078 8.758 -0.079 1.00 5.15 H new ATOM 0 HA CYS A 643 -1.205 10.851 -1.655 1.00 21.35 H new ATOM 0 HB2 CYS A 643 0.011 12.583 -0.445 1.00 12.41 H new ATOM 0 HB3 CYS A 643 -1.113 11.747 0.609 1.00 12.41 H new ATOM 902 N GLN A 644 0.818 11.001 -3.042 1.00 30.41 N ATOM 903 CA GLN A 644 1.966 10.996 -3.901 1.00 12.41 C ATOM 904 C GLN A 644 2.584 12.343 -3.915 1.00 61.44 C ATOM 905 O GLN A 644 1.890 13.341 -3.843 1.00 71.32 O ATOM 906 CB GLN A 644 1.650 10.621 -5.334 1.00 63.24 C ATOM 907 CG GLN A 644 0.576 11.464 -6.006 1.00 53.21 C ATOM 908 CD GLN A 644 0.439 11.183 -7.500 1.00 13.50 C ATOM 909 OE1 GLN A 644 0.083 12.056 -8.269 1.00 22.21 O ATOM 910 NE2 GLN A 644 0.714 9.971 -7.910 1.00 64.14 N ATOM 0 H GLN A 644 0.002 11.485 -3.417 1.00 30.41 H new ATOM 0 HA GLN A 644 2.639 10.240 -3.496 1.00 12.41 H new ATOM 0 HB2 GLN A 644 2.565 10.693 -5.921 1.00 63.24 H new ATOM 0 HB3 GLN A 644 1.337 9.577 -5.358 1.00 63.24 H new ATOM 0 HG2 GLN A 644 -0.381 11.278 -5.519 1.00 53.21 H new ATOM 0 HG3 GLN A 644 0.808 12.519 -5.861 1.00 53.21 H new ATOM 0 HE21 GLN A 644 1.010 9.261 -7.240 1.00 64.14 H new ATOM 0 HE22 GLN A 644 0.632 9.736 -8.899 1.00 64.14 H new ATOM 918 N VAL A 645 3.860 12.368 -4.003 1.00 42.35 N ATOM 919 CA VAL A 645 4.583 13.579 -4.088 1.00 71.22 C ATOM 920 C VAL A 645 5.614 13.482 -5.181 1.00 21.44 C ATOM 921 O VAL A 645 6.340 12.487 -5.294 1.00 11.23 O ATOM 922 CB VAL A 645 5.179 14.045 -2.704 1.00 63.12 C ATOM 923 CG1 VAL A 645 5.947 12.948 -2.020 1.00 22.11 C ATOM 924 CG2 VAL A 645 6.068 15.280 -2.864 1.00 53.24 C ATOM 0 H VAL A 645 4.443 11.531 -4.018 1.00 42.35 H new ATOM 0 HA VAL A 645 3.885 14.372 -4.356 1.00 71.22 H new ATOM 0 HB VAL A 645 4.327 14.305 -2.075 1.00 63.12 H new ATOM 0 HG11 VAL A 645 6.339 13.315 -1.071 1.00 22.11 H new ATOM 0 HG12 VAL A 645 5.286 12.101 -1.836 1.00 22.11 H new ATOM 0 HG13 VAL A 645 6.774 12.632 -2.656 1.00 22.11 H new ATOM 0 HG21 VAL A 645 6.462 15.573 -1.891 1.00 53.24 H new ATOM 0 HG22 VAL A 645 6.895 15.048 -3.535 1.00 53.24 H new ATOM 0 HG23 VAL A 645 5.481 16.099 -3.280 1.00 53.24 H new ATOM 930 N SER A 646 5.610 14.464 -6.029 1.00 60.20 N ATOM 931 CA SER A 646 6.539 14.544 -7.095 1.00 32.22 C ATOM 932 C SER A 646 7.837 15.022 -6.534 1.00 54.15 C ATOM 933 O SER A 646 7.920 16.135 -6.035 1.00 63.31 O ATOM 934 CB SER A 646 6.033 15.519 -8.168 1.00 34.35 C ATOM 935 OG SER A 646 6.969 15.677 -9.228 1.00 41.13 O ATOM 0 H SER A 646 4.949 15.240 -5.993 1.00 60.20 H new ATOM 0 HA SER A 646 6.665 13.567 -7.562 1.00 32.22 H new ATOM 0 HB2 SER A 646 5.087 15.156 -8.570 1.00 34.35 H new ATOM 0 HB3 SER A 646 5.834 16.489 -7.712 1.00 34.35 H new ATOM 0 HG SER A 646 6.670 16.396 -9.824 1.00 41.13 H new ATOM 941 N ARG A 647 8.844 14.198 -6.607 1.00 2.21 N ATOM 942 CA ARG A 647 10.138 14.560 -6.079 1.00 63.14 C ATOM 943 C ARG A 647 10.759 15.626 -6.980 1.00 33.40 C ATOM 944 O ARG A 647 11.686 16.328 -6.597 1.00 24.53 O ATOM 945 CB ARG A 647 11.022 13.314 -5.912 1.00 33.13 C ATOM 946 CG ARG A 647 11.415 12.634 -7.201 1.00 52.13 C ATOM 947 CD ARG A 647 11.942 11.232 -6.956 1.00 15.14 C ATOM 948 NE ARG A 647 13.060 11.180 -6.016 1.00 11.04 N ATOM 949 CZ ARG A 647 13.711 10.057 -5.688 1.00 30.54 C ATOM 950 NH1 ARG A 647 13.406 8.906 -6.292 1.00 64.14 N ATOM 951 NH2 ARG A 647 14.673 10.087 -4.778 1.00 71.31 N ATOM 0 H ARG A 647 8.798 13.269 -7.026 1.00 2.21 H new ATOM 0 HA ARG A 647 10.037 14.988 -5.082 1.00 63.14 H new ATOM 0 HB2 ARG A 647 11.928 13.599 -5.378 1.00 33.13 H new ATOM 0 HB3 ARG A 647 10.495 12.595 -5.285 1.00 33.13 H new ATOM 0 HG2 ARG A 647 10.553 12.588 -7.866 1.00 52.13 H new ATOM 0 HG3 ARG A 647 12.177 13.226 -7.708 1.00 52.13 H new ATOM 0 HD2 ARG A 647 11.131 10.610 -6.577 1.00 15.14 H new ATOM 0 HD3 ARG A 647 12.257 10.801 -7.906 1.00 15.14 H new ATOM 0 HE ARG A 647 13.363 12.053 -5.583 1.00 11.04 H new ATOM 0 HH11 ARG A 647 12.676 8.882 -7.004 1.00 64.14 H new ATOM 0 HH12 ARG A 647 13.903 8.051 -6.041 1.00 64.14 H new ATOM 0 HH21 ARG A 647 14.919 10.967 -4.325 1.00 71.31 H new ATOM 0 HH22 ARG A 647 15.167 9.230 -4.530 1.00 71.31 H new ATOM 963 N SER A 648 10.216 15.727 -8.191 1.00 62.32 N ATOM 964 CA SER A 648 10.619 16.720 -9.135 1.00 34.22 C ATOM 965 C SER A 648 9.930 18.066 -8.829 1.00 0.21 C ATOM 966 O SER A 648 10.579 19.094 -8.745 1.00 53.04 O ATOM 967 CB SER A 648 10.244 16.266 -10.558 1.00 14.34 C ATOM 968 OG SER A 648 10.718 17.179 -11.542 1.00 44.22 O ATOM 0 H SER A 648 9.479 15.108 -8.530 1.00 62.32 H new ATOM 0 HA SER A 648 11.699 16.851 -9.063 1.00 34.22 H new ATOM 0 HB2 SER A 648 10.662 15.277 -10.747 1.00 14.34 H new ATOM 0 HB3 SER A 648 9.161 16.175 -10.638 1.00 14.34 H new ATOM 0 HG SER A 648 10.464 16.860 -12.433 1.00 44.22 H new ATOM 974 N ASP A 649 8.625 18.038 -8.616 1.00 0.31 N ATOM 975 CA ASP A 649 7.859 19.296 -8.472 1.00 2.03 C ATOM 976 C ASP A 649 7.710 19.726 -7.041 1.00 64.55 C ATOM 977 O ASP A 649 7.354 20.863 -6.767 1.00 54.04 O ATOM 978 CB ASP A 649 6.455 19.180 -9.084 1.00 51.44 C ATOM 979 CG ASP A 649 6.456 18.793 -10.535 1.00 73.22 C ATOM 980 OD1 ASP A 649 6.705 19.652 -11.395 1.00 4.01 O ATOM 981 OD2 ASP A 649 6.178 17.612 -10.838 1.00 34.23 O ATOM 0 H ASP A 649 8.070 17.186 -8.538 1.00 0.31 H new ATOM 0 HA ASP A 649 8.440 20.046 -9.008 1.00 2.03 H new ATOM 0 HB2 ASP A 649 5.883 18.442 -8.521 1.00 51.44 H new ATOM 0 HB3 ASP A 649 5.940 20.134 -8.973 1.00 51.44 H new ATOM 986 N ARG A 650 7.956 18.810 -6.140 1.00 20.40 N ATOM 987 CA ARG A 650 7.780 19.019 -4.689 1.00 74.53 C ATOM 988 C ARG A 650 6.305 19.227 -4.321 1.00 24.04 C ATOM 989 O ARG A 650 5.973 19.687 -3.220 1.00 61.12 O ATOM 990 CB ARG A 650 8.667 20.158 -4.127 1.00 23.22 C ATOM 991 CG ARG A 650 10.180 19.874 -4.011 1.00 34.02 C ATOM 992 CD ARG A 650 10.893 19.653 -5.348 1.00 62.31 C ATOM 993 NE ARG A 650 12.342 19.447 -5.147 1.00 32.53 N ATOM 994 CZ ARG A 650 13.257 19.212 -6.110 1.00 74.13 C ATOM 995 NH1 ARG A 650 12.902 19.139 -7.387 1.00 21.31 N ATOM 996 NH2 ARG A 650 14.532 19.055 -5.782 1.00 5.41 N ATOM 0 H ARG A 650 8.290 17.876 -6.377 1.00 20.40 H new ATOM 0 HA ARG A 650 8.119 18.101 -4.210 1.00 74.53 H new ATOM 0 HB2 ARG A 650 8.534 21.035 -4.761 1.00 23.22 H new ATOM 0 HB3 ARG A 650 8.294 20.421 -3.137 1.00 23.22 H new ATOM 0 HG2 ARG A 650 10.654 20.709 -3.495 1.00 34.02 H new ATOM 0 HG3 ARG A 650 10.324 18.991 -3.388 1.00 34.02 H new ATOM 0 HD2 ARG A 650 10.466 18.787 -5.853 1.00 62.31 H new ATOM 0 HD3 ARG A 650 10.731 20.513 -5.997 1.00 62.31 H new ATOM 0 HE ARG A 650 12.684 19.486 -4.187 1.00 32.53 H new ATOM 0 HH11 ARG A 650 11.925 19.261 -7.652 1.00 21.31 H new ATOM 0 HH12 ARG A 650 13.606 18.961 -8.103 1.00 21.31 H new ATOM 0 HH21 ARG A 650 14.818 19.112 -4.805 1.00 5.41 H new ATOM 0 HH22 ARG A 650 15.227 18.877 -6.507 1.00 5.41 H new ATOM 1008 N LYS A 651 5.434 18.833 -5.223 1.00 21.04 N ATOM 1009 CA LYS A 651 4.003 18.916 -5.020 1.00 34.32 C ATOM 1010 C LYS A 651 3.454 17.573 -4.703 1.00 65.31 C ATOM 1011 O LYS A 651 4.061 16.561 -5.048 1.00 14.03 O ATOM 1012 CB LYS A 651 3.315 19.430 -6.249 1.00 43.44 C ATOM 1013 CG LYS A 651 3.760 20.798 -6.649 1.00 73.12 C ATOM 1014 CD LYS A 651 2.930 21.329 -7.809 1.00 71.15 C ATOM 1015 CE LYS A 651 1.442 21.518 -7.466 1.00 73.54 C ATOM 1016 NZ LYS A 651 1.206 22.543 -6.415 1.00 71.41 N ATOM 0 H LYS A 651 5.700 18.442 -6.127 1.00 21.04 H new ATOM 0 HA LYS A 651 3.826 19.602 -4.192 1.00 34.32 H new ATOM 0 HB2 LYS A 651 3.497 18.741 -7.074 1.00 43.44 H new ATOM 0 HB3 LYS A 651 2.239 19.442 -6.076 1.00 43.44 H new ATOM 0 HG2 LYS A 651 3.675 21.474 -5.798 1.00 73.12 H new ATOM 0 HG3 LYS A 651 4.812 20.773 -6.933 1.00 73.12 H new ATOM 0 HD2 LYS A 651 3.344 22.284 -8.134 1.00 71.15 H new ATOM 0 HD3 LYS A 651 3.016 20.642 -8.651 1.00 71.15 H new ATOM 0 HE2 LYS A 651 0.902 21.802 -8.369 1.00 73.54 H new ATOM 0 HE3 LYS A 651 1.029 20.565 -7.134 1.00 73.54 H new ATOM 0 HZ1 LYS A 651 0.185 22.634 -6.242 1.00 71.41 H new ATOM 0 HZ2 LYS A 651 1.681 22.255 -5.536 1.00 71.41 H new ATOM 0 HZ3 LYS A 651 1.587 23.458 -6.731 1.00 71.41 H new ATOM 1030 N SER A 652 2.322 17.543 -4.087 1.00 34.05 N ATOM 1031 CA SER A 652 1.714 16.296 -3.722 1.00 1.41 C ATOM 1032 C SER A 652 0.246 16.281 -4.111 1.00 11.42 C ATOM 1033 O SER A 652 -0.377 17.338 -4.298 1.00 74.35 O ATOM 1034 CB SER A 652 1.857 16.032 -2.234 1.00 15.35 C ATOM 1035 OG SER A 652 3.189 16.248 -1.805 1.00 30.44 O ATOM 0 H SER A 652 1.790 18.372 -3.821 1.00 34.05 H new ATOM 0 HA SER A 652 2.232 15.505 -4.264 1.00 1.41 H new ATOM 0 HB2 SER A 652 1.182 16.684 -1.679 1.00 15.35 H new ATOM 0 HB3 SER A 652 1.562 15.006 -2.013 1.00 15.35 H new ATOM 0 HG SER A 652 3.255 16.073 -0.843 1.00 30.44 H new ATOM 1041 N TRP A 653 -0.285 15.096 -4.247 1.00 42.30 N ATOM 1042 CA TRP A 653 -1.659 14.887 -4.614 1.00 62.14 C ATOM 1043 C TRP A 653 -2.277 13.872 -3.668 1.00 1.45 C ATOM 1044 O TRP A 653 -1.560 13.077 -3.035 1.00 34.01 O ATOM 1045 CB TRP A 653 -1.767 14.395 -6.074 1.00 73.51 C ATOM 1046 CG TRP A 653 -1.270 15.381 -7.109 1.00 31.32 C ATOM 1047 CD1 TRP A 653 -2.027 16.243 -7.842 1.00 53.24 C ATOM 1048 CD2 TRP A 653 0.093 15.602 -7.516 1.00 15.43 C ATOM 1049 NE1 TRP A 653 -1.223 16.982 -8.684 1.00 24.24 N ATOM 1050 CE2 TRP A 653 0.080 16.605 -8.499 1.00 42.11 C ATOM 1051 CE3 TRP A 653 1.316 15.047 -7.139 1.00 3.42 C ATOM 1052 CZ2 TRP A 653 1.247 17.059 -9.113 1.00 23.21 C ATOM 1053 CZ3 TRP A 653 2.464 15.490 -7.738 1.00 23.02 C ATOM 1054 CH2 TRP A 653 2.430 16.490 -8.719 1.00 73.42 C ATOM 0 H TRP A 653 0.236 14.231 -4.103 1.00 42.30 H new ATOM 0 HA TRP A 653 -2.197 15.832 -4.539 1.00 62.14 H new ATOM 0 HB2 TRP A 653 -1.203 13.468 -6.174 1.00 73.51 H new ATOM 0 HB3 TRP A 653 -2.809 14.158 -6.288 1.00 73.51 H new ATOM 0 HD1 TRP A 653 -3.101 16.335 -7.774 1.00 53.24 H new ATOM 0 HE1 TRP A 653 -1.547 17.694 -9.339 1.00 24.24 H new ATOM 0 HE3 TRP A 653 1.356 14.277 -6.383 1.00 3.42 H new ATOM 0 HZ2 TRP A 653 1.220 17.829 -9.870 1.00 23.21 H new ATOM 0 HZ3 TRP A 653 3.412 15.061 -7.450 1.00 23.02 H new ATOM 0 HH2 TRP A 653 3.353 16.818 -9.173 1.00 73.42 H new ATOM 1065 N ASN A 654 -3.583 13.878 -3.590 1.00 52.51 N ATOM 1066 CA ASN A 654 -4.316 12.999 -2.693 1.00 22.25 C ATOM 1067 C ASN A 654 -4.737 11.780 -3.482 1.00 10.21 C ATOM 1068 O ASN A 654 -5.394 11.912 -4.516 1.00 0.24 O ATOM 1069 CB ASN A 654 -5.581 13.722 -2.204 1.00 22.11 C ATOM 1070 CG ASN A 654 -6.347 13.008 -1.106 1.00 44.14 C ATOM 1071 OD1 ASN A 654 -6.306 11.801 -0.974 1.00 33.15 O ATOM 1072 ND2 ASN A 654 -7.088 13.761 -0.342 1.00 34.23 N ATOM 0 H ASN A 654 -4.177 14.493 -4.146 1.00 52.51 H new ATOM 0 HA ASN A 654 -3.696 12.720 -1.841 1.00 22.25 H new ATOM 0 HB2 ASN A 654 -5.299 14.712 -1.844 1.00 22.11 H new ATOM 0 HB3 ASN A 654 -6.248 13.870 -3.054 1.00 22.11 H new ATOM 0 HD21 ASN A 654 -7.656 13.339 0.393 1.00 34.23 H new ATOM 0 HD22 ASN A 654 -7.100 14.772 -0.479 1.00 34.23 H new ATOM 1078 N LEU A 655 -4.359 10.614 -3.011 1.00 12.33 N ATOM 1079 CA LEU A 655 -4.669 9.372 -3.700 1.00 30.30 C ATOM 1080 C LEU A 655 -5.704 8.582 -2.916 1.00 64.14 C ATOM 1081 O LEU A 655 -5.889 7.384 -3.131 1.00 13.40 O ATOM 1082 CB LEU A 655 -3.403 8.534 -3.861 1.00 41.04 C ATOM 1083 CG LEU A 655 -2.238 9.185 -4.591 1.00 12.11 C ATOM 1084 CD1 LEU A 655 -1.083 8.215 -4.707 1.00 74.23 C ATOM 1085 CD2 LEU A 655 -2.664 9.682 -5.958 1.00 64.21 C ATOM 0 H LEU A 655 -3.832 10.494 -2.146 1.00 12.33 H new ATOM 0 HA LEU A 655 -5.071 9.611 -4.684 1.00 30.30 H new ATOM 0 HB2 LEU A 655 -3.061 8.241 -2.868 1.00 41.04 H new ATOM 0 HB3 LEU A 655 -3.667 7.618 -4.390 1.00 41.04 H new ATOM 0 HG LEU A 655 -1.908 10.047 -4.011 1.00 12.11 H new ATOM 0 HD11 LEU A 655 -0.257 8.694 -5.232 1.00 74.23 H new ATOM 0 HD12 LEU A 655 -0.756 7.917 -3.711 1.00 74.23 H new ATOM 0 HD13 LEU A 655 -1.403 7.333 -5.263 1.00 74.23 H new ATOM 0 HD21 LEU A 655 -1.813 10.143 -6.459 1.00 64.21 H new ATOM 0 HD22 LEU A 655 -3.025 8.844 -6.554 1.00 64.21 H new ATOM 0 HD23 LEU A 655 -3.461 10.417 -5.846 1.00 64.21 H new ATOM 1093 N GLY A 656 -6.361 9.244 -2.020 1.00 3.32 N ATOM 1094 CA GLY A 656 -7.357 8.608 -1.238 1.00 41.13 C ATOM 1095 C GLY A 656 -7.335 9.099 0.167 1.00 50.34 C ATOM 1096 O GLY A 656 -6.305 8.993 0.865 1.00 44.10 O ATOM 0 H GLY A 656 -6.220 10.233 -1.814 1.00 3.32 H new ATOM 0 HA2 GLY A 656 -8.338 8.792 -1.675 1.00 41.13 H new ATOM 0 HA3 GLY A 656 -7.200 7.530 -1.251 1.00 41.13 H new ATOM 1100 N ARG A 657 -8.451 9.655 0.606 1.00 51.51 N ATOM 1101 CA ARG A 657 -8.547 10.169 1.938 1.00 23.14 C ATOM 1102 C ARG A 657 -8.543 8.990 2.904 1.00 33.31 C ATOM 1103 O ARG A 657 -8.824 7.862 2.475 1.00 73.44 O ATOM 1104 CB ARG A 657 -9.795 11.086 2.058 1.00 74.31 C ATOM 1105 CG ARG A 657 -11.180 10.444 2.294 1.00 44.44 C ATOM 1106 CD ARG A 657 -11.419 10.111 3.768 1.00 60.52 C ATOM 1107 NE ARG A 657 -11.330 11.316 4.607 1.00 45.41 N ATOM 1108 CZ ARG A 657 -11.326 11.336 5.947 1.00 34.34 C ATOM 1109 NH1 ARG A 657 -11.446 10.207 6.644 1.00 10.24 N ATOM 1110 NH2 ARG A 657 -11.205 12.489 6.586 1.00 4.02 N ATOM 0 H ARG A 657 -9.299 9.757 0.049 1.00 51.51 H new ATOM 0 HA ARG A 657 -7.695 10.799 2.193 1.00 23.14 H new ATOM 0 HB2 ARG A 657 -9.613 11.783 2.876 1.00 74.31 H new ATOM 0 HB3 ARG A 657 -9.858 11.676 1.144 1.00 74.31 H new ATOM 0 HG2 ARG A 657 -11.958 11.124 1.946 1.00 44.44 H new ATOM 0 HG3 ARG A 657 -11.263 9.534 1.700 1.00 44.44 H new ATOM 0 HD2 ARG A 657 -12.402 9.655 3.886 1.00 60.52 H new ATOM 0 HD3 ARG A 657 -10.685 9.377 4.101 1.00 60.52 H new ATOM 0 HE ARG A 657 -11.266 12.214 4.127 1.00 45.41 H new ATOM 0 HH11 ARG A 657 -11.542 9.315 6.158 1.00 10.24 H new ATOM 0 HH12 ARG A 657 -11.442 10.234 7.664 1.00 10.24 H new ATOM 0 HH21 ARG A 657 -11.115 13.357 6.059 1.00 4.02 H new ATOM 0 HH22 ARG A 657 -11.201 12.509 7.606 1.00 4.02 H new ATOM 1122 N SER A 658 -8.249 9.239 4.169 1.00 41.42 N ATOM 1123 CA SER A 658 -8.114 8.185 5.155 1.00 34.13 C ATOM 1124 C SER A 658 -9.362 7.327 5.246 1.00 42.21 C ATOM 1125 O SER A 658 -10.428 7.769 5.694 1.00 23.14 O ATOM 1126 CB SER A 658 -7.732 8.773 6.498 1.00 73.11 C ATOM 1127 OG SER A 658 -8.585 9.845 6.852 1.00 10.23 O ATOM 0 H SER A 658 -8.098 10.177 4.539 1.00 41.42 H new ATOM 0 HA SER A 658 -7.312 7.521 4.833 1.00 34.13 H new ATOM 0 HB2 SER A 658 -7.781 7.999 7.263 1.00 73.11 H new ATOM 0 HB3 SER A 658 -6.700 9.123 6.464 1.00 73.11 H new ATOM 0 HG SER A 658 -8.316 10.203 7.723 1.00 10.23 H new ATOM 1133 N ASN A 659 -9.213 6.125 4.794 1.00 31.11 N ATOM 1134 CA ASN A 659 -10.274 5.179 4.700 1.00 43.31 C ATOM 1135 C ASN A 659 -9.702 3.825 5.025 1.00 4.05 C ATOM 1136 O ASN A 659 -8.501 3.631 4.910 1.00 20.13 O ATOM 1137 CB ASN A 659 -10.887 5.261 3.284 1.00 55.32 C ATOM 1138 CG ASN A 659 -11.951 4.234 2.986 1.00 21.52 C ATOM 1139 OD1 ASN A 659 -11.595 3.211 2.255 1.00 53.41 O flip ATOM 1140 ND2 ASN A 659 -13.107 4.410 3.335 1.00 64.45 N flip ATOM 0 H ASN A 659 -8.317 5.763 4.469 1.00 31.11 H new ATOM 0 HA ASN A 659 -11.081 5.381 5.404 1.00 43.31 H new ATOM 0 HB2 ASN A 659 -11.314 6.254 3.147 1.00 55.32 H new ATOM 0 HB3 ASN A 659 -10.086 5.155 2.552 1.00 55.32 H new ATOM 0 HD21 ASN A 659 -13.350 5.220 3.906 1.00 64.45 H new ATOM 0 HD22 ASN A 659 -13.830 3.747 3.056 1.00 64.45 H new ATOM 1146 N ALA A 660 -10.504 2.903 5.450 1.00 61.24 N ATOM 1147 CA ALA A 660 -9.962 1.661 5.905 1.00 24.45 C ATOM 1148 C ALA A 660 -10.696 0.487 5.323 1.00 62.24 C ATOM 1149 O ALA A 660 -10.533 -0.633 5.787 1.00 11.03 O ATOM 1150 CB ALA A 660 -10.037 1.642 7.408 1.00 73.02 C ATOM 0 H ALA A 660 -11.520 2.982 5.492 1.00 61.24 H new ATOM 0 HA ALA A 660 -8.927 1.577 5.575 1.00 24.45 H new ATOM 0 HB1 ALA A 660 -9.629 0.703 7.781 1.00 73.02 H new ATOM 0 HB2 ALA A 660 -9.460 2.474 7.812 1.00 73.02 H new ATOM 0 HB3 ALA A 660 -11.077 1.736 7.722 1.00 73.02 H new ATOM 1156 N LYS A 661 -11.462 0.734 4.281 1.00 35.20 N ATOM 1157 CA LYS A 661 -12.268 -0.310 3.692 1.00 22.40 C ATOM 1158 C LYS A 661 -11.430 -1.341 2.939 1.00 11.42 C ATOM 1159 O LYS A 661 -10.946 -1.095 1.819 1.00 51.23 O ATOM 1160 CB LYS A 661 -13.382 0.242 2.791 1.00 23.02 C ATOM 1161 CG LYS A 661 -14.372 1.166 3.479 1.00 15.50 C ATOM 1162 CD LYS A 661 -14.984 0.496 4.691 1.00 33.43 C ATOM 1163 CE LYS A 661 -16.205 1.243 5.196 1.00 73.42 C ATOM 1164 NZ LYS A 661 -15.902 2.614 5.642 1.00 1.04 N ATOM 0 H LYS A 661 -11.542 1.644 3.828 1.00 35.20 H new ATOM 0 HA LYS A 661 -12.744 -0.818 4.531 1.00 22.40 H new ATOM 0 HB2 LYS A 661 -12.923 0.780 1.961 1.00 23.02 H new ATOM 0 HB3 LYS A 661 -13.930 -0.597 2.362 1.00 23.02 H new ATOM 0 HG2 LYS A 661 -13.869 2.084 3.782 1.00 15.50 H new ATOM 0 HG3 LYS A 661 -15.158 1.449 2.779 1.00 15.50 H new ATOM 0 HD2 LYS A 661 -15.263 -0.527 4.438 1.00 33.43 H new ATOM 0 HD3 LYS A 661 -14.241 0.436 5.486 1.00 33.43 H new ATOM 0 HE2 LYS A 661 -16.953 1.282 4.404 1.00 73.42 H new ATOM 0 HE3 LYS A 661 -16.646 0.688 6.024 1.00 73.42 H new ATOM 0 HZ1 LYS A 661 -16.768 3.060 6.006 1.00 1.04 H new ATOM 0 HZ2 LYS A 661 -15.185 2.584 6.395 1.00 1.04 H new ATOM 0 HZ3 LYS A 661 -15.539 3.168 4.840 1.00 1.04 H new ATOM 1178 N LEU A 662 -11.225 -2.461 3.580 1.00 21.13 N ATOM 1179 CA LEU A 662 -10.568 -3.587 2.975 1.00 54.30 C ATOM 1180 C LEU A 662 -11.593 -4.390 2.207 1.00 64.51 C ATOM 1181 O LEU A 662 -12.764 -4.406 2.559 1.00 3.42 O ATOM 1182 CB LEU A 662 -9.918 -4.474 4.042 1.00 75.13 C ATOM 1183 CG LEU A 662 -8.705 -3.912 4.784 1.00 15.45 C ATOM 1184 CD1 LEU A 662 -8.313 -4.860 5.893 1.00 4.22 C ATOM 1185 CD2 LEU A 662 -7.534 -3.768 3.835 1.00 75.12 C ATOM 0 H LEU A 662 -11.512 -2.618 4.546 1.00 21.13 H new ATOM 0 HA LEU A 662 -9.787 -3.228 2.305 1.00 54.30 H new ATOM 0 HB2 LEU A 662 -10.679 -4.723 4.782 1.00 75.13 H new ATOM 0 HB3 LEU A 662 -9.618 -5.408 3.566 1.00 75.13 H new ATOM 0 HG LEU A 662 -8.965 -2.936 5.194 1.00 15.45 H new ATOM 0 HD11 LEU A 662 -7.448 -4.462 6.424 1.00 4.22 H new ATOM 0 HD12 LEU A 662 -9.145 -4.971 6.588 1.00 4.22 H new ATOM 0 HD13 LEU A 662 -8.062 -5.832 5.469 1.00 4.22 H new ATOM 0 HD21 LEU A 662 -6.676 -3.367 4.374 1.00 75.12 H new ATOM 0 HD22 LEU A 662 -7.279 -4.744 3.421 1.00 75.12 H new ATOM 0 HD23 LEU A 662 -7.803 -3.090 3.025 1.00 75.12 H new ATOM 1193 N SER A 663 -11.173 -5.009 1.165 1.00 21.23 N ATOM 1194 CA SER A 663 -12.029 -5.825 0.368 1.00 1.51 C ATOM 1195 C SER A 663 -11.334 -7.150 0.081 1.00 2.44 C ATOM 1196 O SER A 663 -10.135 -7.186 -0.159 1.00 2.11 O ATOM 1197 CB SER A 663 -12.398 -5.087 -0.921 1.00 63.41 C ATOM 1198 OG SER A 663 -13.030 -3.844 -0.609 1.00 2.41 O ATOM 0 H SER A 663 -10.210 -4.966 0.832 1.00 21.23 H new ATOM 0 HA SER A 663 -12.955 -6.035 0.904 1.00 1.51 H new ATOM 0 HB2 SER A 663 -11.503 -4.910 -1.517 1.00 63.41 H new ATOM 0 HB3 SER A 663 -13.066 -5.703 -1.524 1.00 63.41 H new ATOM 0 HG SER A 663 -13.262 -3.377 -1.439 1.00 2.41 H new ATOM 1204 N TYR A 664 -12.067 -8.226 0.123 1.00 1.42 N ATOM 1205 CA TYR A 664 -11.469 -9.529 -0.063 1.00 42.35 C ATOM 1206 C TYR A 664 -11.992 -10.135 -1.355 1.00 53.23 C ATOM 1207 O TYR A 664 -13.200 -10.243 -1.553 1.00 14.13 O ATOM 1208 CB TYR A 664 -11.829 -10.447 1.121 1.00 61.20 C ATOM 1209 CG TYR A 664 -11.000 -11.726 1.272 1.00 62.24 C ATOM 1210 CD1 TYR A 664 -10.145 -12.168 0.278 1.00 43.01 C ATOM 1211 CD2 TYR A 664 -11.088 -12.482 2.427 1.00 3.11 C ATOM 1212 CE1 TYR A 664 -9.409 -13.316 0.423 1.00 64.45 C ATOM 1213 CE2 TYR A 664 -10.356 -13.636 2.582 1.00 13.23 C ATOM 1214 CZ TYR A 664 -9.517 -14.048 1.576 1.00 21.23 C ATOM 1215 OH TYR A 664 -8.776 -15.208 1.724 1.00 33.32 O ATOM 0 H TYR A 664 -13.074 -8.234 0.283 1.00 1.42 H new ATOM 0 HA TYR A 664 -10.385 -9.427 -0.114 1.00 42.35 H new ATOM 0 HB2 TYR A 664 -11.736 -9.870 2.041 1.00 61.20 H new ATOM 0 HB3 TYR A 664 -12.878 -10.729 1.027 1.00 61.20 H new ATOM 0 HD1 TYR A 664 -10.055 -11.596 -0.633 1.00 43.01 H new ATOM 0 HD2 TYR A 664 -11.744 -12.160 3.222 1.00 3.11 H new ATOM 0 HE1 TYR A 664 -8.748 -13.641 -0.367 1.00 64.45 H new ATOM 0 HE2 TYR A 664 -10.441 -14.215 3.490 1.00 13.23 H new ATOM 0 HH TYR A 664 -8.966 -15.608 2.598 1.00 33.32 H new ATOM 1225 N TYR A 665 -11.077 -10.488 -2.212 1.00 64.22 N ATOM 1226 CA TYR A 665 -11.328 -11.147 -3.466 1.00 51.22 C ATOM 1227 C TYR A 665 -10.721 -12.512 -3.391 1.00 75.43 C ATOM 1228 O TYR A 665 -9.688 -12.660 -2.763 1.00 40.21 O ATOM 1229 CB TYR A 665 -10.677 -10.379 -4.594 1.00 40.31 C ATOM 1230 CG TYR A 665 -11.350 -9.091 -4.860 1.00 52.02 C ATOM 1231 CD1 TYR A 665 -10.981 -7.933 -4.206 1.00 22.12 C ATOM 1232 CD2 TYR A 665 -12.370 -9.034 -5.768 1.00 53.11 C ATOM 1233 CE1 TYR A 665 -11.620 -6.750 -4.463 1.00 1.45 C ATOM 1234 CE2 TYR A 665 -13.010 -7.870 -6.036 1.00 22.40 C ATOM 1235 CZ TYR A 665 -12.636 -6.721 -5.383 1.00 71.44 C ATOM 1236 OH TYR A 665 -13.276 -5.542 -5.655 1.00 11.13 O ATOM 0 H TYR A 665 -10.085 -10.316 -2.048 1.00 64.22 H new ATOM 0 HA TYR A 665 -12.400 -11.204 -3.652 1.00 51.22 H new ATOM 0 HB2 TYR A 665 -9.631 -10.195 -4.349 1.00 40.31 H new ATOM 0 HB3 TYR A 665 -10.690 -10.987 -5.499 1.00 40.31 H new ATOM 0 HD1 TYR A 665 -10.179 -7.960 -3.483 1.00 22.12 H new ATOM 0 HD2 TYR A 665 -12.672 -9.935 -6.282 1.00 53.11 H new ATOM 0 HE1 TYR A 665 -11.327 -5.848 -3.946 1.00 1.45 H new ATOM 0 HE2 TYR A 665 -13.811 -7.846 -6.760 1.00 22.40 H new ATOM 0 HH TYR A 665 -13.970 -5.695 -6.330 1.00 11.13 H new ATOM 1246 N ASP A 666 -11.354 -13.519 -3.957 1.00 31.34 N ATOM 1247 CA ASP A 666 -10.786 -14.877 -3.914 1.00 14.13 C ATOM 1248 C ASP A 666 -9.327 -14.859 -4.379 1.00 55.22 C ATOM 1249 O ASP A 666 -9.027 -14.471 -5.519 1.00 73.31 O ATOM 1250 CB ASP A 666 -11.583 -15.828 -4.818 1.00 33.02 C ATOM 1251 CG ASP A 666 -13.004 -16.047 -4.368 1.00 55.11 C ATOM 1252 OD1 ASP A 666 -13.843 -15.137 -4.544 1.00 32.52 O ATOM 1253 OD2 ASP A 666 -13.316 -17.148 -3.870 1.00 61.20 O ATOM 0 H ASP A 666 -12.245 -13.440 -4.446 1.00 31.34 H new ATOM 0 HA ASP A 666 -10.840 -15.229 -2.884 1.00 14.13 H new ATOM 0 HB2 ASP A 666 -11.590 -15.429 -5.832 1.00 33.02 H new ATOM 0 HB3 ASP A 666 -11.072 -16.790 -4.858 1.00 33.02 H new ATOM 1258 N GLY A 667 -8.434 -15.257 -3.490 1.00 21.21 N ATOM 1259 CA GLY A 667 -7.026 -15.302 -3.807 1.00 64.52 C ATOM 1260 C GLY A 667 -6.219 -14.096 -3.300 1.00 34.11 C ATOM 1261 O GLY A 667 -5.005 -14.217 -3.090 1.00 23.13 O ATOM 0 H GLY A 667 -8.664 -15.553 -2.542 1.00 21.21 H new ATOM 0 HA2 GLY A 667 -6.600 -16.212 -3.384 1.00 64.52 H new ATOM 0 HA3 GLY A 667 -6.912 -15.370 -4.889 1.00 64.52 H new ATOM 1265 N MET A 668 -6.867 -12.938 -3.103 1.00 24.12 N ATOM 1266 CA MET A 668 -6.128 -11.731 -2.703 1.00 11.22 C ATOM 1267 C MET A 668 -6.990 -10.710 -1.968 1.00 15.15 C ATOM 1268 O MET A 668 -8.179 -10.542 -2.241 1.00 61.45 O ATOM 1269 CB MET A 668 -5.491 -11.055 -3.917 1.00 3.11 C ATOM 1270 CG MET A 668 -6.508 -10.629 -4.982 1.00 34.25 C ATOM 1271 SD MET A 668 -5.759 -9.959 -6.481 1.00 63.21 S ATOM 1272 CE MET A 668 -4.813 -11.368 -7.050 1.00 52.12 C ATOM 0 H MET A 668 -7.873 -12.812 -3.210 1.00 24.12 H new ATOM 0 HA MET A 668 -5.358 -12.075 -2.012 1.00 11.22 H new ATOM 0 HB2 MET A 668 -4.935 -10.178 -3.585 1.00 3.11 H new ATOM 0 HB3 MET A 668 -4.770 -11.738 -4.367 1.00 3.11 H new ATOM 0 HG2 MET A 668 -7.123 -11.489 -5.248 1.00 34.25 H new ATOM 0 HG3 MET A 668 -7.175 -9.880 -4.555 1.00 34.25 H new ATOM 0 HE1 MET A 668 -4.437 -11.172 -8.054 1.00 52.12 H new ATOM 0 HE2 MET A 668 -3.974 -11.539 -6.376 1.00 52.12 H new ATOM 0 HE3 MET A 668 -5.451 -12.252 -7.067 1.00 52.12 H new ATOM 1282 N ILE A 669 -6.380 -10.022 -1.068 1.00 72.13 N ATOM 1283 CA ILE A 669 -7.032 -8.978 -0.333 1.00 11.12 C ATOM 1284 C ILE A 669 -6.678 -7.654 -0.994 1.00 31.30 C ATOM 1285 O ILE A 669 -5.566 -7.477 -1.450 1.00 11.50 O ATOM 1286 CB ILE A 669 -6.595 -8.970 1.162 1.00 62.22 C ATOM 1287 CG1 ILE A 669 -6.906 -10.331 1.802 1.00 54.31 C ATOM 1288 CG2 ILE A 669 -7.299 -7.843 1.935 1.00 74.14 C ATOM 1289 CD1 ILE A 669 -6.492 -10.441 3.248 1.00 2.40 C ATOM 0 H ILE A 669 -5.403 -10.164 -0.813 1.00 72.13 H new ATOM 0 HA ILE A 669 -8.110 -9.142 -0.347 1.00 11.12 H new ATOM 0 HB ILE A 669 -5.521 -8.789 1.208 1.00 62.22 H new ATOM 0 HG12 ILE A 669 -7.977 -10.520 1.727 1.00 54.31 H new ATOM 0 HG13 ILE A 669 -6.404 -11.112 1.231 1.00 54.31 H new ATOM 0 HG21 ILE A 669 -6.977 -7.859 2.976 1.00 74.14 H new ATOM 0 HG22 ILE A 669 -7.042 -6.881 1.491 1.00 74.14 H new ATOM 0 HG23 ILE A 669 -8.378 -7.988 1.887 1.00 74.14 H new ATOM 0 HD11 ILE A 669 -6.746 -11.432 3.625 1.00 2.40 H new ATOM 0 HD12 ILE A 669 -5.416 -10.286 3.331 1.00 2.40 H new ATOM 0 HD13 ILE A 669 -7.014 -9.685 3.834 1.00 2.40 H new ATOM 1296 N GLN A 670 -7.621 -6.778 -1.107 1.00 21.52 N ATOM 1297 CA GLN A 670 -7.392 -5.486 -1.698 1.00 34.51 C ATOM 1298 C GLN A 670 -7.898 -4.398 -0.774 1.00 22.00 C ATOM 1299 O GLN A 670 -8.854 -4.595 -0.049 1.00 72.11 O ATOM 1300 CB GLN A 670 -8.060 -5.396 -3.074 1.00 61.30 C ATOM 1301 CG GLN A 670 -7.421 -6.293 -4.144 1.00 73.12 C ATOM 1302 CD GLN A 670 -8.205 -6.336 -5.440 1.00 43.54 C ATOM 1303 OE1 GLN A 670 -8.907 -5.279 -5.743 1.00 2.33 O flip ATOM 1304 NE2 GLN A 670 -8.187 -7.331 -6.155 1.00 20.11 N flip ATOM 0 H GLN A 670 -8.579 -6.932 -0.793 1.00 21.52 H new ATOM 0 HA GLN A 670 -6.320 -5.347 -1.840 1.00 34.51 H new ATOM 0 HB2 GLN A 670 -9.112 -5.663 -2.973 1.00 61.30 H new ATOM 0 HB3 GLN A 670 -8.025 -4.361 -3.415 1.00 61.30 H new ATOM 0 HG2 GLN A 670 -6.412 -5.937 -4.350 1.00 73.12 H new ATOM 0 HG3 GLN A 670 -7.328 -7.305 -3.751 1.00 73.12 H new ATOM 0 HE21 GLN A 670 -7.627 -8.141 -5.888 1.00 20.11 H new ATOM 0 HE22 GLN A 670 -8.732 -7.350 -7.017 1.00 20.11 H new ATOM 1312 N LEU A 671 -7.257 -3.273 -0.783 1.00 14.02 N ATOM 1313 CA LEU A 671 -7.675 -2.164 0.046 1.00 5.22 C ATOM 1314 C LEU A 671 -8.014 -1.034 -0.889 1.00 63.34 C ATOM 1315 O LEU A 671 -7.223 -0.703 -1.768 1.00 1.42 O ATOM 1316 CB LEU A 671 -6.524 -1.763 1.014 1.00 62.23 C ATOM 1317 CG LEU A 671 -6.845 -0.813 2.211 1.00 61.21 C ATOM 1318 CD1 LEU A 671 -5.616 -0.623 3.065 1.00 42.24 C ATOM 1319 CD2 LEU A 671 -7.364 0.536 1.776 1.00 73.04 C ATOM 0 H LEU A 671 -6.434 -3.088 -1.357 1.00 14.02 H new ATOM 0 HA LEU A 671 -8.537 -2.423 0.660 1.00 5.22 H new ATOM 0 HB2 LEU A 671 -6.103 -2.681 1.425 1.00 62.23 H new ATOM 0 HB3 LEU A 671 -5.742 -1.292 0.419 1.00 62.23 H new ATOM 0 HG LEU A 671 -7.638 -1.295 2.784 1.00 61.21 H new ATOM 0 HD11 LEU A 671 -5.850 0.041 3.897 1.00 42.24 H new ATOM 0 HD12 LEU A 671 -5.289 -1.588 3.452 1.00 42.24 H new ATOM 0 HD13 LEU A 671 -4.819 -0.184 2.464 1.00 42.24 H new ATOM 0 HD21 LEU A 671 -7.568 1.148 2.655 1.00 73.04 H new ATOM 0 HD22 LEU A 671 -6.617 1.030 1.155 1.00 73.04 H new ATOM 0 HD23 LEU A 671 -8.283 0.405 1.204 1.00 73.04 H new ATOM 1327 N THR A 672 -9.180 -0.470 -0.725 1.00 42.43 N ATOM 1328 CA THR A 672 -9.614 0.596 -1.581 1.00 21.21 C ATOM 1329 C THR A 672 -9.732 1.891 -0.765 1.00 22.15 C ATOM 1330 O THR A 672 -10.338 1.900 0.292 1.00 73.41 O ATOM 1331 CB THR A 672 -10.992 0.250 -2.188 1.00 55.20 C ATOM 1332 OG1 THR A 672 -10.943 -1.087 -2.723 1.00 31.32 O ATOM 1333 CG2 THR A 672 -11.331 1.214 -3.319 1.00 12.41 C ATOM 0 H THR A 672 -9.849 -0.734 -0.001 1.00 42.43 H new ATOM 0 HA THR A 672 -8.888 0.731 -2.383 1.00 21.21 H new ATOM 0 HB THR A 672 -11.752 0.327 -1.410 1.00 55.20 H new ATOM 0 HG1 THR A 672 -11.814 -1.317 -3.109 1.00 31.32 H new ATOM 0 HG21 THR A 672 -12.305 0.957 -3.736 1.00 12.41 H new ATOM 0 HG22 THR A 672 -11.359 2.233 -2.933 1.00 12.41 H new ATOM 0 HG23 THR A 672 -10.572 1.142 -4.098 1.00 12.41 H new ATOM 1339 N TYR A 673 -9.109 2.949 -1.231 1.00 2.21 N ATOM 1340 CA TYR A 673 -9.246 4.255 -0.603 1.00 61.21 C ATOM 1341 C TYR A 673 -10.308 5.087 -1.288 1.00 2.42 C ATOM 1342 O TYR A 673 -11.005 4.594 -2.177 1.00 12.41 O ATOM 1343 CB TYR A 673 -7.917 4.999 -0.516 1.00 3.12 C ATOM 1344 CG TYR A 673 -7.059 4.555 0.634 1.00 75.45 C ATOM 1345 CD1 TYR A 673 -7.280 5.089 1.885 1.00 21.32 C ATOM 1346 CD2 TYR A 673 -6.060 3.602 0.493 1.00 73.03 C ATOM 1347 CE1 TYR A 673 -6.547 4.700 2.966 1.00 72.22 C ATOM 1348 CE2 TYR A 673 -5.318 3.195 1.593 1.00 62.32 C ATOM 1349 CZ TYR A 673 -5.576 3.759 2.829 1.00 31.32 C ATOM 1350 OH TYR A 673 -4.890 3.354 3.934 1.00 1.24 O ATOM 0 H TYR A 673 -8.498 2.936 -2.047 1.00 2.21 H new ATOM 0 HA TYR A 673 -9.572 4.081 0.422 1.00 61.21 H new ATOM 0 HB2 TYR A 673 -7.367 4.856 -1.446 1.00 3.12 H new ATOM 0 HB3 TYR A 673 -8.113 6.067 -0.423 1.00 3.12 H new ATOM 0 HD1 TYR A 673 -8.052 5.833 2.012 1.00 21.32 H new ATOM 0 HD2 TYR A 673 -5.859 3.175 -0.478 1.00 73.03 H new ATOM 0 HE1 TYR A 673 -6.738 5.140 3.933 1.00 72.22 H new ATOM 0 HE2 TYR A 673 -4.548 2.446 1.485 1.00 62.32 H new ATOM 0 HH TYR A 673 -3.998 3.046 3.671 1.00 1.24 H new ATOM 1360 N ARG A 674 -10.449 6.335 -0.870 1.00 2.43 N ATOM 1361 CA ARG A 674 -11.489 7.180 -1.390 1.00 1.51 C ATOM 1362 C ARG A 674 -11.073 7.963 -2.606 1.00 23.52 C ATOM 1363 O ARG A 674 -9.932 7.917 -3.030 1.00 4.32 O ATOM 1364 CB ARG A 674 -11.982 8.137 -0.326 1.00 3.32 C ATOM 1365 CG ARG A 674 -12.719 7.481 0.827 1.00 51.20 C ATOM 1366 CD ARG A 674 -13.923 6.714 0.313 1.00 62.12 C ATOM 1367 NE ARG A 674 -14.727 7.547 -0.584 1.00 51.30 N ATOM 1368 CZ ARG A 674 -15.557 7.082 -1.518 1.00 4.14 C ATOM 1369 NH1 ARG A 674 -15.800 5.778 -1.606 1.00 74.14 N ATOM 1370 NH2 ARG A 674 -16.141 7.929 -2.359 1.00 72.22 N ATOM 0 H ARG A 674 -9.851 6.777 -0.171 1.00 2.43 H new ATOM 0 HA ARG A 674 -12.291 6.508 -1.695 1.00 1.51 H new ATOM 0 HB2 ARG A 674 -11.129 8.687 0.072 1.00 3.32 H new ATOM 0 HB3 ARG A 674 -12.643 8.868 -0.792 1.00 3.32 H new ATOM 0 HG2 ARG A 674 -12.049 6.806 1.359 1.00 51.20 H new ATOM 0 HG3 ARG A 674 -13.040 8.239 1.541 1.00 51.20 H new ATOM 0 HD2 ARG A 674 -13.592 5.819 -0.214 1.00 62.12 H new ATOM 0 HD3 ARG A 674 -14.534 6.382 1.153 1.00 62.12 H new ATOM 0 HE ARG A 674 -14.646 8.559 -0.487 1.00 51.30 H new ATOM 0 HH11 ARG A 674 -15.351 5.131 -0.958 1.00 74.14 H new ATOM 0 HH12 ARG A 674 -16.435 5.425 -2.321 1.00 74.14 H new ATOM 0 HH21 ARG A 674 -15.953 8.929 -2.288 1.00 72.22 H new ATOM 0 HH22 ARG A 674 -16.777 7.579 -3.076 1.00 72.22 H new ATOM 1382 N ASP A 675 -12.043 8.689 -3.120 1.00 61.03 N ATOM 1383 CA ASP A 675 -11.944 9.573 -4.274 1.00 11.20 C ATOM 1384 C ASP A 675 -10.811 10.610 -4.149 1.00 34.22 C ATOM 1385 O ASP A 675 -10.175 10.969 -5.144 1.00 24.01 O ATOM 1386 CB ASP A 675 -13.316 10.256 -4.487 1.00 73.30 C ATOM 1387 CG ASP A 675 -13.857 10.902 -3.230 1.00 25.24 C ATOM 1388 OD1 ASP A 675 -14.406 10.180 -2.369 1.00 14.50 O ATOM 1389 OD2 ASP A 675 -13.720 12.131 -3.063 1.00 71.04 O ATOM 0 H ASP A 675 -12.982 8.681 -2.722 1.00 61.03 H new ATOM 0 HA ASP A 675 -11.684 8.972 -5.145 1.00 11.20 H new ATOM 0 HB2 ASP A 675 -13.222 11.013 -5.266 1.00 73.30 H new ATOM 0 HB3 ASP A 675 -14.032 9.516 -4.846 1.00 73.30 H new ATOM 1394 N GLY A 676 -10.609 11.103 -2.946 1.00 41.03 N ATOM 1395 CA GLY A 676 -9.499 12.006 -2.645 1.00 12.31 C ATOM 1396 C GLY A 676 -9.528 13.292 -3.453 1.00 3.44 C ATOM 1397 O GLY A 676 -10.501 14.042 -3.401 1.00 32.42 O ATOM 0 H GLY A 676 -11.204 10.895 -2.144 1.00 41.03 H new ATOM 0 HA2 GLY A 676 -9.519 12.253 -1.583 1.00 12.31 H new ATOM 0 HA3 GLY A 676 -8.558 11.489 -2.834 1.00 12.31 H new ATOM 1401 N THR A 677 -8.470 13.541 -4.183 1.00 53.42 N ATOM 1402 CA THR A 677 -8.379 14.689 -5.037 1.00 2.55 C ATOM 1403 C THR A 677 -8.416 14.225 -6.488 1.00 63.20 C ATOM 1404 O THR A 677 -7.530 13.503 -6.927 1.00 2.12 O ATOM 1405 CB THR A 677 -7.085 15.489 -4.765 1.00 4.24 C ATOM 1406 OG1 THR A 677 -7.120 16.033 -3.438 1.00 12.01 O ATOM 1407 CG2 THR A 677 -6.895 16.608 -5.774 1.00 14.45 C ATOM 0 H THR A 677 -7.643 12.945 -4.198 1.00 53.42 H new ATOM 0 HA THR A 677 -9.222 15.350 -4.834 1.00 2.55 H new ATOM 0 HB THR A 677 -6.242 14.804 -4.862 1.00 4.24 H new ATOM 0 HG1 THR A 677 -6.297 16.538 -3.270 1.00 12.01 H new ATOM 0 HG21 THR A 677 -5.975 17.148 -5.550 1.00 14.45 H new ATOM 0 HG22 THR A 677 -6.833 16.187 -6.777 1.00 14.45 H new ATOM 0 HG23 THR A 677 -7.740 17.294 -5.720 1.00 14.45 H new ATOM 1413 N PRO A 678 -9.445 14.599 -7.245 1.00 55.14 N ATOM 1414 CA PRO A 678 -9.591 14.142 -8.608 1.00 14.33 C ATOM 1415 C PRO A 678 -8.545 14.716 -9.588 1.00 14.23 C ATOM 1416 O PRO A 678 -8.535 15.926 -9.879 1.00 20.55 O ATOM 1417 CB PRO A 678 -11.016 14.566 -8.980 1.00 55.23 C ATOM 1418 CG PRO A 678 -11.316 15.721 -8.097 1.00 63.32 C ATOM 1419 CD PRO A 678 -10.547 15.485 -6.827 1.00 25.44 C ATOM 0 HA PRO A 678 -9.422 13.068 -8.681 1.00 14.33 H new ATOM 0 HB2 PRO A 678 -11.083 14.845 -10.031 1.00 55.23 H new ATOM 0 HB3 PRO A 678 -11.724 13.753 -8.820 1.00 55.23 H new ATOM 0 HG2 PRO A 678 -11.016 16.658 -8.566 1.00 63.32 H new ATOM 0 HG3 PRO A 678 -12.385 15.792 -7.898 1.00 63.32 H new ATOM 0 HD2 PRO A 678 -10.173 16.418 -6.406 1.00 25.44 H new ATOM 0 HD3 PRO A 678 -11.169 15.018 -6.063 1.00 25.44 H new ATOM 1427 N TYR A 679 -7.693 13.785 -10.098 1.00 14.03 N ATOM 1428 CA TYR A 679 -6.598 14.024 -11.058 1.00 14.40 C ATOM 1429 C TYR A 679 -6.032 15.423 -11.068 1.00 0.51 C ATOM 1430 O TYR A 679 -5.292 15.826 -10.167 1.00 72.22 O ATOM 1431 CB TYR A 679 -6.913 13.571 -12.506 1.00 71.21 C ATOM 1432 CG TYR A 679 -6.857 12.090 -12.811 1.00 12.45 C ATOM 1433 CD1 TYR A 679 -7.683 11.188 -12.187 1.00 30.50 C ATOM 1434 CD2 TYR A 679 -5.972 11.610 -13.765 1.00 63.32 C ATOM 1435 CE1 TYR A 679 -7.642 9.848 -12.493 1.00 53.42 C ATOM 1436 CE2 TYR A 679 -5.929 10.276 -14.086 1.00 53.32 C ATOM 1437 CZ TYR A 679 -6.767 9.399 -13.447 1.00 51.02 C ATOM 1438 OH TYR A 679 -6.745 8.068 -13.771 1.00 2.43 O ATOM 0 H TYR A 679 -7.761 12.802 -9.833 1.00 14.03 H new ATOM 0 HA TYR A 679 -5.817 13.376 -10.660 1.00 14.40 H new ATOM 0 HB2 TYR A 679 -7.912 13.927 -12.758 1.00 71.21 H new ATOM 0 HB3 TYR A 679 -6.216 14.077 -13.174 1.00 71.21 H new ATOM 0 HD1 TYR A 679 -8.380 11.538 -11.440 1.00 30.50 H new ATOM 0 HD2 TYR A 679 -5.305 12.298 -14.264 1.00 63.32 H new ATOM 0 HE1 TYR A 679 -8.295 9.154 -11.985 1.00 53.42 H new ATOM 0 HE2 TYR A 679 -5.240 9.920 -14.837 1.00 53.32 H new ATOM 0 HH TYR A 679 -5.936 7.871 -14.288 1.00 2.43 H new ATOM 1533 N THR A 685 -11.649 13.449 -12.319 1.00 24.14 N ATOM 1534 CA THR A 685 -11.761 12.047 -12.053 1.00 1.23 C ATOM 1535 C THR A 685 -11.018 11.754 -10.741 1.00 63.52 C ATOM 1536 O THR A 685 -9.873 12.110 -10.617 1.00 50.04 O ATOM 1537 CB THR A 685 -11.071 11.277 -13.183 1.00 32.11 C ATOM 1538 OG1 THR A 685 -11.581 11.715 -14.459 1.00 35.43 O ATOM 1539 CG2 THR A 685 -11.302 9.797 -13.018 1.00 12.22 C ATOM 0 HA THR A 685 -12.808 11.751 -11.981 1.00 1.23 H new ATOM 0 HB THR A 685 -10.000 11.474 -13.141 1.00 32.11 H new ATOM 0 HG1 THR A 685 -11.921 12.631 -14.379 1.00 35.43 H new ATOM 0 HG21 THR A 685 -10.807 9.259 -13.827 1.00 12.22 H new ATOM 0 HG22 THR A 685 -10.894 9.470 -12.062 1.00 12.22 H new ATOM 0 HG23 THR A 685 -12.372 9.590 -13.046 1.00 12.22 H new ATOM 1545 N PRO A 686 -11.655 11.131 -9.755 1.00 73.30 N ATOM 1546 CA PRO A 686 -11.036 10.886 -8.434 1.00 55.42 C ATOM 1547 C PRO A 686 -9.788 9.989 -8.477 1.00 64.25 C ATOM 1548 O PRO A 686 -9.742 8.993 -9.218 1.00 32.43 O ATOM 1549 CB PRO A 686 -12.148 10.196 -7.652 1.00 45.02 C ATOM 1550 CG PRO A 686 -13.054 9.629 -8.682 1.00 15.52 C ATOM 1551 CD PRO A 686 -13.019 10.597 -9.820 1.00 41.40 C ATOM 0 HA PRO A 686 -10.676 11.818 -7.997 1.00 55.42 H new ATOM 0 HB2 PRO A 686 -11.748 9.414 -7.006 1.00 45.02 H new ATOM 0 HB3 PRO A 686 -12.675 10.902 -7.010 1.00 45.02 H new ATOM 0 HG2 PRO A 686 -12.720 8.640 -8.997 1.00 15.52 H new ATOM 0 HG3 PRO A 686 -14.066 9.515 -8.295 1.00 15.52 H new ATOM 0 HD2 PRO A 686 -13.216 10.107 -10.773 1.00 41.40 H new ATOM 0 HD3 PRO A 686 -13.766 11.382 -9.705 1.00 41.40 H new ATOM 1559 N ARG A 687 -8.778 10.347 -7.692 1.00 44.35 N ATOM 1560 CA ARG A 687 -7.584 9.531 -7.569 1.00 15.45 C ATOM 1561 C ARG A 687 -7.755 8.647 -6.364 1.00 0.51 C ATOM 1562 O ARG A 687 -7.890 9.138 -5.255 1.00 51.20 O ATOM 1563 CB ARG A 687 -6.316 10.368 -7.357 1.00 1.22 C ATOM 1564 CG ARG A 687 -5.970 11.352 -8.449 1.00 32.54 C ATOM 1565 CD ARG A 687 -4.625 12.001 -8.147 1.00 62.21 C ATOM 1566 NE ARG A 687 -4.304 13.123 -9.041 1.00 34.42 N ATOM 1567 CZ ARG A 687 -3.156 13.256 -9.736 1.00 51.32 C ATOM 1568 NH1 ARG A 687 -2.327 12.241 -9.862 1.00 24.12 N ATOM 1569 NH2 ARG A 687 -2.890 14.397 -10.357 1.00 43.11 N ATOM 0 H ARG A 687 -8.766 11.199 -7.132 1.00 44.35 H new ATOM 0 HA ARG A 687 -7.465 8.968 -8.495 1.00 15.45 H new ATOM 0 HB2 ARG A 687 -6.423 10.919 -6.422 1.00 1.22 H new ATOM 0 HB3 ARG A 687 -5.474 9.687 -7.232 1.00 1.22 H new ATOM 0 HG2 ARG A 687 -5.931 10.843 -9.412 1.00 32.54 H new ATOM 0 HG3 ARG A 687 -6.745 12.115 -8.523 1.00 32.54 H new ATOM 0 HD2 ARG A 687 -4.624 12.356 -7.116 1.00 62.21 H new ATOM 0 HD3 ARG A 687 -3.841 11.248 -8.225 1.00 62.21 H new ATOM 0 HE ARG A 687 -5.004 13.858 -9.144 1.00 34.42 H new ATOM 0 HH11 ARG A 687 -2.551 11.344 -9.432 1.00 24.12 H new ATOM 0 HH12 ARG A 687 -1.461 12.352 -10.390 1.00 24.12 H new ATOM 0 HH21 ARG A 687 -3.553 15.171 -10.308 1.00 43.11 H new ATOM 0 HH22 ARG A 687 -2.023 14.501 -10.884 1.00 43.11 H new ATOM 1581 N ALA A 688 -7.734 7.371 -6.569 1.00 32.51 N ATOM 1582 CA ALA A 688 -7.920 6.449 -5.478 1.00 63.52 C ATOM 1583 C ALA A 688 -6.809 5.439 -5.486 1.00 34.41 C ATOM 1584 O ALA A 688 -6.147 5.261 -6.498 1.00 30.11 O ATOM 1585 CB ALA A 688 -9.275 5.763 -5.584 1.00 60.14 C ATOM 0 H ALA A 688 -7.590 6.935 -7.480 1.00 32.51 H new ATOM 0 HA ALA A 688 -7.896 6.996 -4.536 1.00 63.52 H new ATOM 0 HB1 ALA A 688 -9.398 5.070 -4.752 1.00 60.14 H new ATOM 0 HB2 ALA A 688 -10.066 6.513 -5.552 1.00 60.14 H new ATOM 0 HB3 ALA A 688 -9.333 5.214 -6.524 1.00 60.14 H new ATOM 1591 N THR A 689 -6.592 4.800 -4.376 1.00 15.25 N ATOM 1592 CA THR A 689 -5.554 3.812 -4.251 1.00 60.33 C ATOM 1593 C THR A 689 -6.155 2.436 -3.988 1.00 31.24 C ATOM 1594 O THR A 689 -7.087 2.298 -3.175 1.00 44.13 O ATOM 1595 CB THR A 689 -4.585 4.196 -3.111 1.00 72.32 C ATOM 1596 OG1 THR A 689 -4.002 5.460 -3.400 1.00 21.02 O ATOM 1597 CG2 THR A 689 -3.480 3.164 -2.935 1.00 52.40 C ATOM 0 H THR A 689 -7.132 4.948 -3.523 1.00 15.25 H new ATOM 0 HA THR A 689 -4.998 3.775 -5.188 1.00 60.33 H new ATOM 0 HB THR A 689 -5.156 4.238 -2.184 1.00 72.32 H new ATOM 0 HG1 THR A 689 -4.652 6.170 -3.214 1.00 21.02 H new ATOM 0 HG21 THR A 689 -2.821 3.472 -2.124 1.00 52.40 H new ATOM 0 HG22 THR A 689 -3.921 2.196 -2.697 1.00 52.40 H new ATOM 0 HG23 THR A 689 -2.906 3.084 -3.858 1.00 52.40 H new ATOM 1603 N LEU A 690 -5.653 1.447 -4.690 1.00 1.15 N ATOM 1604 CA LEU A 690 -6.058 0.096 -4.526 1.00 34.02 C ATOM 1605 C LEU A 690 -4.794 -0.693 -4.249 1.00 2.40 C ATOM 1606 O LEU A 690 -3.896 -0.768 -5.087 1.00 12.31 O ATOM 1607 CB LEU A 690 -6.755 -0.409 -5.821 1.00 24.42 C ATOM 1608 CG LEU A 690 -7.515 -1.768 -5.791 1.00 53.05 C ATOM 1609 CD1 LEU A 690 -6.618 -2.942 -5.458 1.00 45.53 C ATOM 1610 CD2 LEU A 690 -8.685 -1.704 -4.837 1.00 50.02 C ATOM 0 H LEU A 690 -4.936 1.577 -5.404 1.00 1.15 H new ATOM 0 HA LEU A 690 -6.773 -0.017 -3.711 1.00 34.02 H new ATOM 0 HB2 LEU A 690 -7.465 0.358 -6.133 1.00 24.42 H new ATOM 0 HB3 LEU A 690 -5.995 -0.475 -6.599 1.00 24.42 H new ATOM 0 HG LEU A 690 -7.887 -1.938 -6.802 1.00 53.05 H new ATOM 0 HD11 LEU A 690 -7.206 -3.859 -5.453 1.00 45.53 H new ATOM 0 HD12 LEU A 690 -5.829 -3.021 -6.206 1.00 45.53 H new ATOM 0 HD13 LEU A 690 -6.172 -2.792 -4.475 1.00 45.53 H new ATOM 0 HD21 LEU A 690 -9.202 -2.663 -4.831 1.00 50.02 H new ATOM 0 HD22 LEU A 690 -8.324 -1.480 -3.833 1.00 50.02 H new ATOM 0 HD23 LEU A 690 -9.374 -0.922 -5.158 1.00 50.02 H new ATOM 1618 N ILE A 691 -4.707 -1.248 -3.098 1.00 43.21 N ATOM 1619 CA ILE A 691 -3.559 -2.030 -2.757 1.00 41.23 C ATOM 1620 C ILE A 691 -3.939 -3.485 -2.873 1.00 11.13 C ATOM 1621 O ILE A 691 -4.901 -3.920 -2.251 1.00 41.04 O ATOM 1622 CB ILE A 691 -3.069 -1.721 -1.321 1.00 11.44 C ATOM 1623 CG1 ILE A 691 -2.802 -0.216 -1.170 1.00 3.34 C ATOM 1624 CG2 ILE A 691 -1.793 -2.511 -1.026 1.00 51.45 C ATOM 1625 CD1 ILE A 691 -2.432 0.211 0.238 1.00 20.24 C ATOM 0 H ILE A 691 -5.415 -1.180 -2.367 1.00 43.21 H new ATOM 0 HA ILE A 691 -2.741 -1.788 -3.435 1.00 41.23 H new ATOM 0 HB ILE A 691 -3.841 -2.016 -0.611 1.00 11.44 H new ATOM 0 HG12 ILE A 691 -1.997 0.069 -1.847 1.00 3.34 H new ATOM 0 HG13 ILE A 691 -3.691 0.333 -1.482 1.00 3.34 H new ATOM 0 HG21 ILE A 691 -1.453 -2.289 -0.014 1.00 51.45 H new ATOM 0 HG22 ILE A 691 -1.997 -3.578 -1.114 1.00 51.45 H new ATOM 0 HG23 ILE A 691 -1.018 -2.230 -1.739 1.00 51.45 H new ATOM 0 HD11 ILE A 691 -2.260 1.287 0.258 1.00 20.24 H new ATOM 0 HD12 ILE A 691 -3.245 -0.040 0.920 1.00 20.24 H new ATOM 0 HD13 ILE A 691 -1.525 -0.307 0.549 1.00 20.24 H new ATOM 1632 N THR A 692 -3.222 -4.202 -3.680 1.00 4.21 N ATOM 1633 CA THR A 692 -3.475 -5.585 -3.921 1.00 63.35 C ATOM 1634 C THR A 692 -2.480 -6.413 -3.108 1.00 2.34 C ATOM 1635 O THR A 692 -1.264 -6.287 -3.281 1.00 24.32 O ATOM 1636 CB THR A 692 -3.258 -5.886 -5.405 1.00 31.51 C ATOM 1637 OG1 THR A 692 -4.007 -4.953 -6.224 1.00 13.41 O ATOM 1638 CG2 THR A 692 -3.690 -7.298 -5.746 1.00 33.41 C ATOM 0 H THR A 692 -2.427 -3.832 -4.201 1.00 4.21 H new ATOM 0 HA THR A 692 -4.499 -5.829 -3.637 1.00 63.35 H new ATOM 0 HB THR A 692 -2.192 -5.783 -5.609 1.00 31.51 H new ATOM 0 HG1 THR A 692 -3.858 -5.156 -7.171 1.00 13.41 H new ATOM 0 HG21 THR A 692 -3.524 -7.483 -6.807 1.00 33.41 H new ATOM 0 HG22 THR A 692 -3.108 -8.008 -5.158 1.00 33.41 H new ATOM 0 HG23 THR A 692 -4.749 -7.420 -5.518 1.00 33.41 H new ATOM 1644 N PHE A 693 -2.985 -7.221 -2.239 1.00 64.21 N ATOM 1645 CA PHE A 693 -2.182 -8.028 -1.370 1.00 33.12 C ATOM 1646 C PHE A 693 -2.111 -9.441 -1.891 1.00 4.33 C ATOM 1647 O PHE A 693 -3.136 -10.074 -2.124 1.00 61.52 O ATOM 1648 CB PHE A 693 -2.801 -8.043 0.005 1.00 13.44 C ATOM 1649 CG PHE A 693 -2.880 -6.681 0.684 1.00 72.31 C ATOM 1650 CD1 PHE A 693 -3.829 -5.751 0.307 1.00 43.40 C ATOM 1651 CD2 PHE A 693 -2.023 -6.357 1.718 1.00 13.43 C ATOM 1652 CE1 PHE A 693 -3.922 -4.542 0.935 1.00 35.41 C ATOM 1653 CE2 PHE A 693 -2.107 -5.139 2.348 1.00 22.15 C ATOM 1654 CZ PHE A 693 -3.061 -4.233 1.954 1.00 42.50 C ATOM 0 H PHE A 693 -3.989 -7.345 -2.106 1.00 64.21 H new ATOM 0 HA PHE A 693 -1.176 -7.610 -1.326 1.00 33.12 H new ATOM 0 HB2 PHE A 693 -3.807 -8.455 -0.069 1.00 13.44 H new ATOM 0 HB3 PHE A 693 -2.226 -8.717 0.640 1.00 13.44 H new ATOM 0 HD1 PHE A 693 -4.509 -5.984 -0.499 1.00 43.40 H new ATOM 0 HD2 PHE A 693 -1.277 -7.071 2.035 1.00 13.43 H new ATOM 0 HE1 PHE A 693 -4.674 -3.830 0.628 1.00 35.41 H new ATOM 0 HE2 PHE A 693 -1.426 -4.895 3.150 1.00 22.15 H new ATOM 0 HZ PHE A 693 -3.132 -3.276 2.449 1.00 42.50 H new ATOM 1664 N LEU A 694 -0.922 -9.938 -2.047 1.00 51.42 N ATOM 1665 CA LEU A 694 -0.709 -11.261 -2.561 1.00 43.43 C ATOM 1666 C LEU A 694 -0.108 -12.136 -1.496 1.00 31.10 C ATOM 1667 O LEU A 694 0.602 -11.649 -0.596 1.00 33.31 O ATOM 1668 CB LEU A 694 0.263 -11.262 -3.769 1.00 33.51 C ATOM 1669 CG LEU A 694 -0.136 -10.513 -5.054 1.00 35.42 C ATOM 1670 CD1 LEU A 694 -1.477 -10.976 -5.585 1.00 53.34 C ATOM 1671 CD2 LEU A 694 -0.079 -8.997 -4.895 1.00 61.30 C ATOM 0 H LEU A 694 -0.064 -9.435 -1.820 1.00 51.42 H new ATOM 0 HA LEU A 694 -1.681 -11.637 -2.879 1.00 43.43 H new ATOM 0 HB2 LEU A 694 1.211 -10.846 -3.428 1.00 33.51 H new ATOM 0 HB3 LEU A 694 0.450 -12.301 -4.039 1.00 33.51 H new ATOM 0 HG LEU A 694 0.613 -10.770 -5.803 1.00 35.42 H new ATOM 0 HD11 LEU A 694 -1.720 -10.422 -6.492 1.00 53.34 H new ATOM 0 HD12 LEU A 694 -1.430 -12.041 -5.812 1.00 53.34 H new ATOM 0 HD13 LEU A 694 -2.247 -10.798 -4.834 1.00 53.34 H new ATOM 0 HD21 LEU A 694 -0.370 -8.522 -5.832 1.00 61.30 H new ATOM 0 HD22 LEU A 694 -0.762 -8.688 -4.104 1.00 61.30 H new ATOM 0 HD23 LEU A 694 0.936 -8.696 -4.636 1.00 61.30 H new ATOM 1679 N CYS A 695 -0.399 -13.406 -1.585 1.00 1.25 N ATOM 1680 CA CYS A 695 0.194 -14.394 -0.713 1.00 24.12 C ATOM 1681 C CYS A 695 1.629 -14.633 -1.139 1.00 65.21 C ATOM 1682 O CYS A 695 1.884 -15.130 -2.238 1.00 1.21 O ATOM 1683 CB CYS A 695 -0.598 -15.719 -0.754 1.00 45.03 C ATOM 1684 SG CYS A 695 0.199 -17.114 0.148 1.00 44.33 S ATOM 0 H CYS A 695 -1.055 -13.790 -2.265 1.00 1.25 H new ATOM 0 HA CYS A 695 0.168 -14.021 0.311 1.00 24.12 H new ATOM 0 HB2 CYS A 695 -1.588 -15.549 -0.332 1.00 45.03 H new ATOM 0 HB3 CYS A 695 -0.741 -16.010 -1.795 1.00 45.03 H new ATOM 1745 N GLY A 700 7.129 -11.488 6.001 1.00 32.10 N ATOM 1746 CA GLY A 700 7.470 -10.219 6.461 1.00 62.54 C ATOM 1747 C GLY A 700 6.238 -9.413 6.440 1.00 53.23 C ATOM 1748 O GLY A 700 5.148 -9.959 6.160 1.00 62.12 O ATOM 0 HA2 GLY A 700 7.881 -10.271 7.469 1.00 62.54 H new ATOM 0 HA3 GLY A 700 8.236 -9.771 5.828 1.00 62.54 H new ATOM 1752 N VAL A 701 6.348 -8.159 6.706 1.00 1.13 N ATOM 1753 CA VAL A 701 5.203 -7.315 6.657 1.00 2.44 C ATOM 1754 C VAL A 701 4.888 -7.049 5.188 1.00 44.11 C ATOM 1755 O VAL A 701 3.745 -6.869 4.794 1.00 3.41 O ATOM 1756 CB VAL A 701 5.425 -6.000 7.469 1.00 63.53 C ATOM 1757 CG1 VAL A 701 6.411 -5.047 6.832 1.00 24.42 C ATOM 1758 CG2 VAL A 701 4.128 -5.323 7.840 1.00 11.02 C ATOM 0 H VAL A 701 7.219 -7.693 6.960 1.00 1.13 H new ATOM 0 HA VAL A 701 4.350 -7.803 7.128 1.00 2.44 H new ATOM 0 HB VAL A 701 5.893 -6.317 8.401 1.00 63.53 H new ATOM 0 HG11 VAL A 701 6.512 -4.158 7.454 1.00 24.42 H new ATOM 0 HG12 VAL A 701 7.381 -5.536 6.738 1.00 24.42 H new ATOM 0 HG13 VAL A 701 6.052 -4.759 5.844 1.00 24.42 H new ATOM 0 HG21 VAL A 701 4.340 -4.414 8.403 1.00 11.02 H new ATOM 0 HG22 VAL A 701 3.578 -5.068 6.934 1.00 11.02 H new ATOM 0 HG23 VAL A 701 3.528 -5.997 8.451 1.00 11.02 H new ATOM 1764 N GLY A 702 5.911 -7.124 4.383 1.00 63.11 N ATOM 1765 CA GLY A 702 5.762 -6.935 2.985 1.00 0.15 C ATOM 1766 C GLY A 702 6.014 -5.520 2.544 1.00 3.00 C ATOM 1767 O GLY A 702 5.713 -4.560 3.256 1.00 55.24 O ATOM 0 H GLY A 702 6.865 -7.318 4.686 1.00 63.11 H new ATOM 0 HA2 GLY A 702 6.449 -7.599 2.461 1.00 0.15 H new ATOM 0 HA3 GLY A 702 4.753 -7.225 2.692 1.00 0.15 H new ATOM 1771 N PHE A 703 6.616 -5.407 1.416 1.00 5.22 N ATOM 1772 CA PHE A 703 6.876 -4.138 0.767 1.00 32.22 C ATOM 1773 C PHE A 703 5.898 -3.944 -0.397 1.00 51.30 C ATOM 1774 O PHE A 703 5.696 -4.864 -1.202 1.00 3.23 O ATOM 1775 CB PHE A 703 8.312 -4.083 0.212 1.00 34.34 C ATOM 1776 CG PHE A 703 9.404 -4.148 1.241 1.00 41.32 C ATOM 1777 CD1 PHE A 703 9.848 -5.364 1.734 1.00 72.40 C ATOM 1778 CD2 PHE A 703 9.998 -2.986 1.705 1.00 13.11 C ATOM 1779 CE1 PHE A 703 10.859 -5.419 2.669 1.00 55.35 C ATOM 1780 CE2 PHE A 703 11.009 -3.036 2.641 1.00 64.25 C ATOM 1781 CZ PHE A 703 11.441 -4.254 3.122 1.00 41.10 C ATOM 0 H PHE A 703 6.959 -6.210 0.889 1.00 5.22 H new ATOM 0 HA PHE A 703 6.749 -3.350 1.509 1.00 32.22 H new ATOM 0 HB2 PHE A 703 8.445 -4.909 -0.487 1.00 34.34 H new ATOM 0 HB3 PHE A 703 8.428 -3.161 -0.358 1.00 34.34 H new ATOM 0 HD1 PHE A 703 9.397 -6.280 1.382 1.00 72.40 H new ATOM 0 HD2 PHE A 703 9.665 -2.030 1.329 1.00 13.11 H new ATOM 0 HE1 PHE A 703 11.195 -6.373 3.046 1.00 55.35 H new ATOM 0 HE2 PHE A 703 11.462 -2.123 2.997 1.00 64.25 H new ATOM 0 HZ PHE A 703 12.235 -4.295 3.853 1.00 41.10 H new ATOM 1791 N PRO A 704 5.253 -2.784 -0.481 1.00 64.53 N ATOM 1792 CA PRO A 704 4.381 -2.448 -1.601 1.00 22.15 C ATOM 1793 C PRO A 704 5.172 -1.956 -2.824 1.00 12.02 C ATOM 1794 O PRO A 704 6.240 -1.348 -2.696 1.00 21.21 O ATOM 1795 CB PRO A 704 3.535 -1.307 -1.049 1.00 63.04 C ATOM 1796 CG PRO A 704 4.426 -0.633 -0.069 1.00 44.33 C ATOM 1797 CD PRO A 704 5.277 -1.718 0.533 1.00 41.44 C ATOM 0 HA PRO A 704 3.808 -3.309 -1.945 1.00 22.15 H new ATOM 0 HB2 PRO A 704 3.223 -0.624 -1.839 1.00 63.04 H new ATOM 0 HB3 PRO A 704 2.628 -1.678 -0.573 1.00 63.04 H new ATOM 0 HG2 PRO A 704 5.043 0.121 -0.557 1.00 44.33 H new ATOM 0 HG3 PRO A 704 3.845 -0.121 0.699 1.00 44.33 H new ATOM 0 HD2 PRO A 704 6.292 -1.371 0.725 1.00 41.44 H new ATOM 0 HD3 PRO A 704 4.873 -2.062 1.485 1.00 41.44 H new ATOM 1805 N GLU A 705 4.661 -2.231 -3.984 1.00 63.24 N ATOM 1806 CA GLU A 705 5.260 -1.775 -5.207 1.00 71.24 C ATOM 1807 C GLU A 705 4.192 -1.180 -6.097 1.00 52.14 C ATOM 1808 O GLU A 705 3.110 -1.741 -6.217 1.00 0.43 O ATOM 1809 CB GLU A 705 5.943 -2.940 -5.914 1.00 31.13 C ATOM 1810 CG GLU A 705 6.628 -2.564 -7.209 1.00 54.32 C ATOM 1811 CD GLU A 705 7.702 -1.517 -7.002 1.00 33.25 C ATOM 1812 OE1 GLU A 705 8.788 -1.869 -6.527 1.00 13.25 O ATOM 1813 OE2 GLU A 705 7.459 -0.329 -7.278 1.00 62.31 O ATOM 0 H GLU A 705 3.812 -2.781 -4.113 1.00 63.24 H new ATOM 0 HA GLU A 705 6.007 -1.013 -4.985 1.00 71.24 H new ATOM 0 HB2 GLU A 705 6.680 -3.378 -5.240 1.00 31.13 H new ATOM 0 HB3 GLU A 705 5.201 -3.711 -6.119 1.00 31.13 H new ATOM 0 HG2 GLU A 705 7.071 -3.454 -7.656 1.00 54.32 H new ATOM 0 HG3 GLU A 705 5.887 -2.188 -7.915 1.00 54.32 H new ATOM 1820 N TYR A 706 4.484 -0.074 -6.719 1.00 60.21 N ATOM 1821 CA TYR A 706 3.531 0.572 -7.585 1.00 14.32 C ATOM 1822 C TYR A 706 3.462 -0.168 -8.892 1.00 13.24 C ATOM 1823 O TYR A 706 4.482 -0.418 -9.533 1.00 33.25 O ATOM 1824 CB TYR A 706 3.889 2.051 -7.791 1.00 12.43 C ATOM 1825 CG TYR A 706 2.985 2.795 -8.750 1.00 75.55 C ATOM 1826 CD1 TYR A 706 1.626 2.930 -8.503 1.00 14.42 C ATOM 1827 CD2 TYR A 706 3.501 3.388 -9.889 1.00 15.50 C ATOM 1828 CE1 TYR A 706 0.817 3.632 -9.357 1.00 54.34 C ATOM 1829 CE2 TYR A 706 2.699 4.086 -10.751 1.00 31.42 C ATOM 1830 CZ TYR A 706 1.359 4.212 -10.484 1.00 60.41 C ATOM 1831 OH TYR A 706 0.563 4.932 -11.341 1.00 2.33 O ATOM 0 H TYR A 706 5.381 0.405 -6.644 1.00 60.21 H new ATOM 0 HA TYR A 706 2.546 0.546 -7.118 1.00 14.32 H new ATOM 0 HB2 TYR A 706 3.863 2.555 -6.825 1.00 12.43 H new ATOM 0 HB3 TYR A 706 4.914 2.115 -8.156 1.00 12.43 H new ATOM 0 HD1 TYR A 706 1.199 2.474 -7.622 1.00 14.42 H new ATOM 0 HD2 TYR A 706 4.556 3.298 -10.102 1.00 15.50 H new ATOM 0 HE1 TYR A 706 -0.238 3.730 -9.149 1.00 54.34 H new ATOM 0 HE2 TYR A 706 3.119 4.536 -11.638 1.00 31.42 H new ATOM 0 HH TYR A 706 1.105 5.272 -12.083 1.00 2.33 H new ATOM 1841 N GLN A 707 2.282 -0.565 -9.266 1.00 74.42 N ATOM 1842 CA GLN A 707 2.123 -1.274 -10.494 1.00 10.44 C ATOM 1843 C GLN A 707 1.974 -0.310 -11.625 1.00 42.22 C ATOM 1844 O GLN A 707 2.934 -0.046 -12.341 1.00 2.43 O ATOM 1845 CB GLN A 707 0.958 -2.260 -10.425 1.00 51.11 C ATOM 1846 CG GLN A 707 1.142 -3.322 -9.359 1.00 34.42 C ATOM 1847 CD GLN A 707 2.438 -4.083 -9.542 1.00 2.44 C ATOM 1848 OE1 GLN A 707 2.487 -5.089 -10.233 1.00 72.24 O ATOM 1849 NE2 GLN A 707 3.495 -3.609 -8.920 1.00 24.14 N ATOM 0 H GLN A 707 1.422 -0.410 -8.740 1.00 74.42 H new ATOM 0 HA GLN A 707 3.020 -1.868 -10.671 1.00 10.44 H new ATOM 0 HB2 GLN A 707 0.037 -1.712 -10.228 1.00 51.11 H new ATOM 0 HB3 GLN A 707 0.841 -2.743 -11.395 1.00 51.11 H new ATOM 0 HG2 GLN A 707 1.131 -2.855 -8.374 1.00 34.42 H new ATOM 0 HG3 GLN A 707 0.304 -4.018 -9.391 1.00 34.42 H new ATOM 0 HE21 GLN A 707 3.417 -2.766 -8.351 1.00 24.14 H new ATOM 0 HE22 GLN A 707 4.393 -4.084 -9.006 1.00 24.14 H new ATOM 1857 N GLU A 708 0.795 0.249 -11.751 1.00 24.15 N ATOM 1858 CA GLU A 708 0.500 1.212 -12.770 1.00 72.21 C ATOM 1859 C GLU A 708 -0.902 1.728 -12.578 1.00 1.11 C ATOM 1860 O GLU A 708 -1.797 0.973 -12.188 1.00 35.43 O ATOM 1861 CB GLU A 708 0.654 0.591 -14.180 1.00 74.32 C ATOM 1862 CG GLU A 708 -0.230 -0.622 -14.430 1.00 15.24 C ATOM 1863 CD GLU A 708 0.018 -1.252 -15.769 1.00 14.22 C ATOM 1864 OE1 GLU A 708 -0.531 -0.767 -16.782 1.00 3.43 O ATOM 1865 OE2 GLU A 708 0.776 -2.245 -15.838 1.00 0.53 O ATOM 0 H GLU A 708 0.007 0.041 -11.138 1.00 24.15 H new ATOM 0 HA GLU A 708 1.207 2.038 -12.689 1.00 72.21 H new ATOM 0 HB2 GLU A 708 0.426 1.352 -14.926 1.00 74.32 H new ATOM 0 HB3 GLU A 708 1.695 0.303 -14.326 1.00 74.32 H new ATOM 0 HG2 GLU A 708 -0.056 -1.361 -13.648 1.00 15.24 H new ATOM 0 HG3 GLU A 708 -1.276 -0.325 -14.361 1.00 15.24 H new ATOM 1872 N GLU A 709 -1.082 3.003 -12.740 1.00 71.31 N ATOM 1873 CA GLU A 709 -2.413 3.543 -12.759 1.00 21.54 C ATOM 1874 C GLU A 709 -2.945 3.398 -14.177 1.00 15.44 C ATOM 1875 O GLU A 709 -2.298 3.821 -15.148 1.00 73.41 O ATOM 1876 CB GLU A 709 -2.407 5.011 -12.255 1.00 35.24 C ATOM 1877 CG GLU A 709 -3.772 5.719 -12.114 1.00 21.13 C ATOM 1878 CD GLU A 709 -4.433 6.099 -13.423 1.00 75.33 C ATOM 1879 OE1 GLU A 709 -4.113 7.183 -13.968 1.00 31.43 O ATOM 1880 OE2 GLU A 709 -5.302 5.361 -13.904 1.00 72.44 O ATOM 0 H GLU A 709 -0.334 3.686 -12.860 1.00 71.31 H new ATOM 0 HA GLU A 709 -3.075 3.002 -12.082 1.00 21.54 H new ATOM 0 HB2 GLU A 709 -1.915 5.031 -11.283 1.00 35.24 H new ATOM 0 HB3 GLU A 709 -1.791 5.599 -12.936 1.00 35.24 H new ATOM 0 HG2 GLU A 709 -4.447 5.067 -11.559 1.00 21.13 H new ATOM 0 HG3 GLU A 709 -3.637 6.621 -11.517 1.00 21.13 H new ATOM 1887 N ASP A 710 -4.085 2.784 -14.290 1.00 65.33 N ATOM 1888 CA ASP A 710 -4.728 2.544 -15.576 1.00 73.23 C ATOM 1889 C ASP A 710 -6.234 2.709 -15.433 1.00 14.51 C ATOM 1890 O ASP A 710 -6.923 3.161 -16.352 1.00 71.31 O ATOM 1891 CB ASP A 710 -4.412 1.112 -16.089 1.00 25.24 C ATOM 1892 CG ASP A 710 -5.079 0.009 -15.272 1.00 70.20 C ATOM 1893 OD1 ASP A 710 -4.867 -0.052 -14.050 1.00 20.34 O ATOM 1894 OD2 ASP A 710 -5.814 -0.814 -15.849 1.00 40.11 O ATOM 0 H ASP A 710 -4.611 2.427 -13.493 1.00 65.33 H new ATOM 0 HA ASP A 710 -4.343 3.267 -16.296 1.00 73.23 H new ATOM 0 HB2 ASP A 710 -4.733 1.028 -17.127 1.00 25.24 H new ATOM 0 HB3 ASP A 710 -3.333 0.960 -16.076 1.00 25.24 H new ATOM 1899 N ASN A 711 -6.730 2.358 -14.271 1.00 73.21 N ATOM 1900 CA ASN A 711 -8.154 2.341 -13.986 1.00 62.43 C ATOM 1901 C ASN A 711 -8.577 3.514 -13.095 1.00 63.04 C ATOM 1902 O ASN A 711 -9.637 3.468 -12.475 1.00 51.22 O ATOM 1903 CB ASN A 711 -8.496 1.004 -13.309 1.00 34.24 C ATOM 1904 CG ASN A 711 -7.794 0.798 -11.964 1.00 21.42 C ATOM 1905 OD1 ASN A 711 -8.333 1.135 -10.925 1.00 51.35 O ATOM 1906 ND2 ASN A 711 -6.587 0.263 -11.980 1.00 63.12 N ATOM 0 H ASN A 711 -6.151 2.071 -13.482 1.00 73.21 H new ATOM 0 HA ASN A 711 -8.701 2.446 -14.923 1.00 62.43 H new ATOM 0 HB2 ASN A 711 -9.574 0.948 -13.158 1.00 34.24 H new ATOM 0 HB3 ASN A 711 -8.225 0.188 -13.979 1.00 34.24 H new ATOM 0 HD21 ASN A 711 -6.080 0.122 -11.106 1.00 63.12 H new ATOM 0 HD22 ASN A 711 -6.162 -0.009 -12.866 1.00 63.12 H new ATOM 1912 N SER A 712 -7.743 4.562 -13.046 1.00 23.31 N ATOM 1913 CA SER A 712 -7.976 5.784 -12.238 1.00 15.40 C ATOM 1914 C SER A 712 -7.702 5.549 -10.758 1.00 30.42 C ATOM 1915 O SER A 712 -7.650 6.483 -9.949 1.00 52.23 O ATOM 1916 CB SER A 712 -9.361 6.398 -12.491 1.00 54.12 C ATOM 1917 OG SER A 712 -9.498 6.774 -13.864 1.00 70.51 O ATOM 0 H SER A 712 -6.870 4.592 -13.573 1.00 23.31 H new ATOM 0 HA SER A 712 -7.252 6.526 -12.574 1.00 15.40 H new ATOM 0 HB2 SER A 712 -10.138 5.681 -12.225 1.00 54.12 H new ATOM 0 HB3 SER A 712 -9.501 7.271 -11.853 1.00 54.12 H new ATOM 0 HG SER A 712 -8.695 7.255 -14.153 1.00 70.51 H new ATOM 1923 N THR A 713 -7.529 4.322 -10.421 1.00 55.21 N ATOM 1924 CA THR A 713 -7.174 3.932 -9.130 1.00 60.44 C ATOM 1925 C THR A 713 -5.761 3.342 -9.215 1.00 63.44 C ATOM 1926 O THR A 713 -5.467 2.533 -10.096 1.00 65.42 O ATOM 1927 CB THR A 713 -8.190 2.904 -8.605 1.00 0.20 C ATOM 1928 OG1 THR A 713 -9.517 3.466 -8.707 1.00 4.34 O ATOM 1929 CG2 THR A 713 -7.925 2.555 -7.164 1.00 14.34 C ATOM 0 H THR A 713 -7.638 3.543 -11.070 1.00 55.21 H new ATOM 0 HA THR A 713 -7.181 4.772 -8.435 1.00 60.44 H new ATOM 0 HB THR A 713 -8.100 1.997 -9.203 1.00 0.20 H new ATOM 0 HG1 THR A 713 -10.173 2.818 -8.376 1.00 4.34 H new ATOM 0 HG21 THR A 713 -8.661 1.826 -6.825 1.00 14.34 H new ATOM 0 HG22 THR A 713 -6.925 2.131 -7.070 1.00 14.34 H new ATOM 0 HG23 THR A 713 -7.997 3.455 -6.553 1.00 14.34 H new ATOM 1935 N TYR A 714 -4.904 3.790 -8.350 1.00 53.43 N ATOM 1936 CA TYR A 714 -3.522 3.387 -8.341 1.00 23.21 C ATOM 1937 C TYR A 714 -3.396 2.047 -7.673 1.00 44.12 C ATOM 1938 O TYR A 714 -3.790 1.894 -6.532 1.00 61.01 O ATOM 1939 CB TYR A 714 -2.672 4.429 -7.587 1.00 42.15 C ATOM 1940 CG TYR A 714 -2.703 5.817 -8.199 1.00 3.14 C ATOM 1941 CD1 TYR A 714 -3.822 6.626 -8.071 1.00 44.35 C ATOM 1942 CD2 TYR A 714 -1.621 6.314 -8.911 1.00 73.43 C ATOM 1943 CE1 TYR A 714 -3.866 7.875 -8.626 1.00 33.20 C ATOM 1944 CE2 TYR A 714 -1.658 7.572 -9.468 1.00 41.14 C ATOM 1945 CZ TYR A 714 -2.788 8.346 -9.321 1.00 31.11 C ATOM 1946 OH TYR A 714 -2.834 9.599 -9.858 1.00 55.51 O ATOM 0 H TYR A 714 -5.144 4.457 -7.617 1.00 53.43 H new ATOM 0 HA TYR A 714 -3.162 3.316 -9.368 1.00 23.21 H new ATOM 0 HB2 TYR A 714 -3.022 4.490 -6.557 1.00 42.15 H new ATOM 0 HB3 TYR A 714 -1.639 4.082 -7.552 1.00 42.15 H new ATOM 0 HD1 TYR A 714 -4.677 6.262 -7.521 1.00 44.35 H new ATOM 0 HD2 TYR A 714 -0.737 5.705 -9.030 1.00 73.43 H new ATOM 0 HE1 TYR A 714 -4.749 8.487 -8.515 1.00 33.20 H new ATOM 0 HE2 TYR A 714 -0.807 7.950 -10.016 1.00 41.14 H new ATOM 0 HH TYR A 714 -3.760 9.822 -10.088 1.00 55.51 H new ATOM 1956 N ASN A 715 -2.844 1.095 -8.367 1.00 33.03 N ATOM 1957 CA ASN A 715 -2.680 -0.239 -7.808 1.00 63.21 C ATOM 1958 C ASN A 715 -1.286 -0.472 -7.327 1.00 34.32 C ATOM 1959 O ASN A 715 -0.294 -0.166 -8.021 1.00 41.30 O ATOM 1960 CB ASN A 715 -3.037 -1.338 -8.805 1.00 41.13 C ATOM 1961 CG ASN A 715 -4.522 -1.603 -8.975 1.00 2.10 C ATOM 1962 OD1 ASN A 715 -5.192 -0.991 -9.809 1.00 14.22 O ATOM 1963 ND2 ASN A 715 -5.051 -2.552 -8.204 1.00 0.22 N ATOM 0 H ASN A 715 -2.497 1.205 -9.320 1.00 33.03 H new ATOM 0 HA ASN A 715 -3.371 -0.286 -6.966 1.00 63.21 H new ATOM 0 HB2 ASN A 715 -2.618 -1.074 -9.776 1.00 41.13 H new ATOM 0 HB3 ASN A 715 -2.554 -2.263 -8.490 1.00 41.13 H new ATOM 0 HD21 ASN A 715 -6.038 -2.791 -8.294 1.00 0.22 H new ATOM 0 HD22 ASN A 715 -4.469 -3.040 -7.523 1.00 0.22 H new ATOM 1969 N PHE A 716 -1.209 -0.994 -6.143 1.00 22.51 N ATOM 1970 CA PHE A 716 0.026 -1.365 -5.534 1.00 21.34 C ATOM 1971 C PHE A 716 0.046 -2.846 -5.294 1.00 61.53 C ATOM 1972 O PHE A 716 -0.978 -3.448 -5.021 1.00 50.04 O ATOM 1973 CB PHE A 716 0.266 -0.595 -4.233 1.00 54.33 C ATOM 1974 CG PHE A 716 0.492 0.873 -4.446 1.00 53.32 C ATOM 1975 CD1 PHE A 716 -0.571 1.750 -4.582 1.00 15.34 C ATOM 1976 CD2 PHE A 716 1.774 1.371 -4.520 1.00 40.40 C ATOM 1977 CE1 PHE A 716 -0.351 3.097 -4.791 1.00 43.34 C ATOM 1978 CE2 PHE A 716 1.999 2.712 -4.725 1.00 23.55 C ATOM 1979 CZ PHE A 716 0.938 3.575 -4.862 1.00 11.22 C ATOM 0 H PHE A 716 -2.025 -1.178 -5.560 1.00 22.51 H new ATOM 0 HA PHE A 716 0.837 -1.104 -6.214 1.00 21.34 H new ATOM 0 HB2 PHE A 716 -0.592 -0.732 -3.574 1.00 54.33 H new ATOM 0 HB3 PHE A 716 1.131 -1.019 -3.722 1.00 54.33 H new ATOM 0 HD1 PHE A 716 -1.583 1.376 -4.524 1.00 15.34 H new ATOM 0 HD2 PHE A 716 2.613 0.700 -4.416 1.00 40.40 H new ATOM 0 HE1 PHE A 716 -1.187 3.773 -4.898 1.00 43.34 H new ATOM 0 HE2 PHE A 716 3.010 3.087 -4.778 1.00 23.55 H new ATOM 0 HZ PHE A 716 1.116 4.628 -5.025 1.00 11.22 H new ATOM 1989 N ARG A 717 1.194 -3.406 -5.418 1.00 45.13 N ATOM 1990 CA ARG A 717 1.416 -4.813 -5.257 1.00 43.22 C ATOM 1991 C ARG A 717 2.068 -5.044 -3.919 1.00 53.41 C ATOM 1992 O ARG A 717 3.149 -4.525 -3.668 1.00 4.22 O ATOM 1993 CB ARG A 717 2.347 -5.259 -6.371 1.00 71.40 C ATOM 1994 CG ARG A 717 2.711 -6.714 -6.374 1.00 30.20 C ATOM 1995 CD ARG A 717 3.624 -7.037 -7.544 1.00 14.21 C ATOM 1996 NE ARG A 717 4.942 -6.390 -7.414 1.00 62.52 N ATOM 1997 CZ ARG A 717 5.819 -6.226 -8.411 1.00 1.45 C ATOM 1998 NH1 ARG A 717 5.484 -6.531 -9.664 1.00 33.44 N ATOM 1999 NH2 ARG A 717 7.019 -5.730 -8.153 1.00 13.41 N ATOM 0 H ARG A 717 2.042 -2.885 -5.643 1.00 45.13 H new ATOM 0 HA ARG A 717 0.482 -5.373 -5.302 1.00 43.22 H new ATOM 0 HB2 ARG A 717 1.881 -5.018 -7.327 1.00 71.40 H new ATOM 0 HB3 ARG A 717 3.265 -4.674 -6.308 1.00 71.40 H new ATOM 0 HG2 ARG A 717 3.206 -6.972 -5.438 1.00 30.20 H new ATOM 0 HG3 ARG A 717 1.807 -7.320 -6.434 1.00 30.20 H new ATOM 0 HD2 ARG A 717 3.756 -8.117 -7.613 1.00 14.21 H new ATOM 0 HD3 ARG A 717 3.152 -6.714 -8.472 1.00 14.21 H new ATOM 0 HE ARG A 717 5.206 -6.040 -6.493 1.00 62.52 H new ATOM 0 HH11 ARG A 717 4.553 -6.893 -9.869 1.00 33.44 H new ATOM 0 HH12 ARG A 717 6.159 -6.403 -10.418 1.00 33.44 H new ATOM 0 HH21 ARG A 717 7.271 -5.475 -7.198 1.00 13.41 H new ATOM 0 HH22 ARG A 717 7.692 -5.603 -8.909 1.00 13.41 H new ATOM 2011 N TRP A 718 1.421 -5.777 -3.068 1.00 72.51 N ATOM 2012 CA TRP A 718 1.938 -6.011 -1.757 1.00 12.15 C ATOM 2013 C TRP A 718 2.099 -7.513 -1.536 1.00 35.41 C ATOM 2014 O TRP A 718 1.132 -8.258 -1.604 1.00 51.14 O ATOM 2015 CB TRP A 718 0.957 -5.452 -0.723 1.00 23.02 C ATOM 2016 CG TRP A 718 1.545 -5.262 0.631 1.00 52.04 C ATOM 2017 CD1 TRP A 718 2.099 -6.205 1.435 1.00 53.43 C ATOM 2018 CD2 TRP A 718 1.610 -4.039 1.348 1.00 14.21 C ATOM 2019 NE1 TRP A 718 2.527 -5.635 2.598 1.00 12.44 N ATOM 2020 CE2 TRP A 718 2.233 -4.307 2.571 1.00 12.15 C ATOM 2021 CE3 TRP A 718 1.206 -2.736 1.067 1.00 75.23 C ATOM 2022 CZ2 TRP A 718 2.462 -3.326 3.512 1.00 41.31 C ATOM 2023 CZ3 TRP A 718 1.433 -1.760 2.004 1.00 70.35 C ATOM 2024 CH2 TRP A 718 2.055 -2.059 3.212 1.00 0.22 C ATOM 0 H TRP A 718 0.526 -6.227 -3.260 1.00 72.51 H new ATOM 0 HA TRP A 718 2.906 -5.520 -1.652 1.00 12.15 H new ATOM 0 HB2 TRP A 718 0.576 -4.495 -1.080 1.00 23.02 H new ATOM 0 HB3 TRP A 718 0.104 -6.126 -0.646 1.00 23.02 H new ATOM 0 HD1 TRP A 718 2.188 -7.253 1.190 1.00 53.43 H new ATOM 0 HE1 TRP A 718 2.992 -6.124 3.363 1.00 12.44 H new ATOM 0 HE3 TRP A 718 0.724 -2.499 0.130 1.00 75.23 H new ATOM 0 HZ2 TRP A 718 2.945 -3.552 4.451 1.00 41.31 H new ATOM 0 HZ3 TRP A 718 1.124 -0.745 1.801 1.00 70.35 H new ATOM 0 HH2 TRP A 718 2.220 -1.269 3.930 1.00 0.22 H new ATOM 2035 N TYR A 719 3.301 -7.947 -1.291 1.00 42.33 N ATOM 2036 CA TYR A 719 3.549 -9.341 -0.985 1.00 45.14 C ATOM 2037 C TYR A 719 3.633 -9.526 0.522 1.00 52.21 C ATOM 2038 O TYR A 719 4.636 -9.172 1.140 1.00 12.31 O ATOM 2039 CB TYR A 719 4.831 -9.834 -1.656 1.00 31.43 C ATOM 2040 CG TYR A 719 4.764 -9.921 -3.162 1.00 31.33 C ATOM 2041 CD1 TYR A 719 4.092 -10.967 -3.787 1.00 50.33 C ATOM 2042 CD2 TYR A 719 5.371 -8.970 -3.958 1.00 14.54 C ATOM 2043 CE1 TYR A 719 4.034 -11.056 -5.162 1.00 54.12 C ATOM 2044 CE2 TYR A 719 5.316 -9.055 -5.331 1.00 30.40 C ATOM 2045 CZ TYR A 719 4.649 -10.095 -5.927 1.00 20.50 C ATOM 2046 OH TYR A 719 4.595 -10.172 -7.303 1.00 1.25 O ATOM 0 H TYR A 719 4.134 -7.359 -1.295 1.00 42.33 H new ATOM 0 HA TYR A 719 2.722 -9.934 -1.375 1.00 45.14 H new ATOM 0 HB2 TYR A 719 5.648 -9.167 -1.381 1.00 31.43 H new ATOM 0 HB3 TYR A 719 5.076 -10.819 -1.260 1.00 31.43 H new ATOM 0 HD1 TYR A 719 3.608 -11.722 -3.185 1.00 50.33 H new ATOM 0 HD2 TYR A 719 5.897 -8.147 -3.497 1.00 14.54 H new ATOM 0 HE1 TYR A 719 3.510 -11.874 -5.633 1.00 54.12 H new ATOM 0 HE2 TYR A 719 5.798 -8.303 -5.939 1.00 30.40 H new ATOM 0 HH TYR A 719 3.763 -10.613 -7.574 1.00 1.25 H new ATOM 2056 N THR A 720 2.589 -10.058 1.119 1.00 72.32 N ATOM 2057 CA THR A 720 2.550 -10.183 2.554 1.00 22.10 C ATOM 2058 C THR A 720 2.018 -11.539 2.990 1.00 20.20 C ATOM 2059 O THR A 720 1.112 -12.114 2.363 1.00 21.54 O ATOM 2060 CB THR A 720 1.743 -9.043 3.238 1.00 60.41 C ATOM 2061 OG1 THR A 720 1.831 -9.166 4.660 1.00 53.23 O ATOM 2062 CG2 THR A 720 0.280 -9.069 2.826 1.00 43.22 C ATOM 0 H THR A 720 1.762 -10.408 0.634 1.00 72.32 H new ATOM 0 HA THR A 720 3.585 -10.094 2.885 1.00 22.10 H new ATOM 0 HB THR A 720 2.176 -8.096 2.917 1.00 60.41 H new ATOM 0 HG1 THR A 720 2.546 -8.585 4.995 1.00 53.23 H new ATOM 0 HG21 THR A 720 -0.253 -8.258 3.323 1.00 43.22 H new ATOM 0 HG22 THR A 720 0.204 -8.944 1.746 1.00 43.22 H new ATOM 0 HG23 THR A 720 -0.162 -10.023 3.113 1.00 43.22 H new ATOM 2068 N SER A 721 2.601 -12.053 4.038 1.00 3.14 N ATOM 2069 CA SER A 721 2.222 -13.319 4.591 1.00 12.15 C ATOM 2070 C SER A 721 0.828 -13.239 5.268 1.00 32.14 C ATOM 2071 O SER A 721 0.105 -14.242 5.328 1.00 1.43 O ATOM 2072 CB SER A 721 3.304 -13.763 5.587 1.00 73.11 C ATOM 2073 OG SER A 721 3.037 -15.033 6.145 1.00 34.40 O ATOM 0 H SER A 721 3.364 -11.595 4.537 1.00 3.14 H new ATOM 0 HA SER A 721 2.141 -14.057 3.793 1.00 12.15 H new ATOM 0 HB2 SER A 721 4.270 -13.787 5.082 1.00 73.11 H new ATOM 0 HB3 SER A 721 3.381 -13.027 6.387 1.00 73.11 H new ATOM 0 HG SER A 721 3.753 -15.273 6.770 1.00 34.40 H new ATOM 2079 N TYR A 722 0.428 -12.028 5.717 1.00 21.40 N ATOM 2080 CA TYR A 722 -0.822 -11.858 6.457 1.00 44.32 C ATOM 2081 C TYR A 722 -2.040 -11.950 5.561 1.00 73.34 C ATOM 2082 O TYR A 722 -3.131 -12.183 6.031 1.00 3.11 O ATOM 2083 CB TYR A 722 -0.848 -10.522 7.189 1.00 74.43 C ATOM 2084 CG TYR A 722 0.286 -10.322 8.169 1.00 4.43 C ATOM 2085 CD1 TYR A 722 0.191 -10.784 9.475 1.00 21.31 C ATOM 2086 CD2 TYR A 722 1.444 -9.665 7.793 1.00 14.25 C ATOM 2087 CE1 TYR A 722 1.218 -10.594 10.373 1.00 72.53 C ATOM 2088 CE2 TYR A 722 2.472 -9.472 8.680 1.00 33.44 C ATOM 2089 CZ TYR A 722 2.359 -9.935 9.969 1.00 31.12 C ATOM 2090 OH TYR A 722 3.391 -9.738 10.853 1.00 42.11 O ATOM 0 H TYR A 722 0.955 -11.166 5.576 1.00 21.40 H new ATOM 0 HA TYR A 722 -0.861 -12.675 7.177 1.00 44.32 H new ATOM 0 HB2 TYR A 722 -0.822 -9.718 6.453 1.00 74.43 H new ATOM 0 HB3 TYR A 722 -1.794 -10.433 7.724 1.00 74.43 H new ATOM 0 HD1 TYR A 722 -0.703 -11.301 9.792 1.00 21.31 H new ATOM 0 HD2 TYR A 722 1.540 -9.297 6.782 1.00 14.25 H new ATOM 0 HE1 TYR A 722 1.130 -10.959 11.386 1.00 72.53 H new ATOM 0 HE2 TYR A 722 3.368 -8.957 8.366 1.00 33.44 H new ATOM 0 HH TYR A 722 4.119 -9.258 10.405 1.00 42.11 H new ATOM 2100 N ALA A 723 -1.849 -11.773 4.271 1.00 44.24 N ATOM 2101 CA ALA A 723 -2.970 -11.798 3.338 1.00 43.13 C ATOM 2102 C ALA A 723 -3.201 -13.193 2.814 1.00 73.14 C ATOM 2103 O ALA A 723 -4.045 -13.417 1.950 1.00 53.44 O ATOM 2104 CB ALA A 723 -2.722 -10.850 2.180 1.00 71.11 C ATOM 0 H ALA A 723 -0.938 -11.611 3.841 1.00 44.24 H new ATOM 0 HA ALA A 723 -3.861 -11.474 3.877 1.00 43.13 H new ATOM 0 HB1 ALA A 723 -3.569 -10.883 1.495 1.00 71.11 H new ATOM 0 HB2 ALA A 723 -2.602 -9.835 2.560 1.00 71.11 H new ATOM 0 HB3 ALA A 723 -1.817 -11.150 1.652 1.00 71.11 H new ATOM 2110 N CYS A 724 -2.476 -14.125 3.340 1.00 53.22 N ATOM 2111 CA CYS A 724 -2.549 -15.464 2.856 1.00 53.20 C ATOM 2112 C CYS A 724 -3.239 -16.371 3.882 1.00 1.01 C ATOM 2113 O CYS A 724 -2.850 -16.390 5.061 1.00 72.30 O ATOM 2114 CB CYS A 724 -1.142 -15.958 2.570 1.00 53.43 C ATOM 2115 SG CYS A 724 -1.055 -17.533 1.681 1.00 24.53 S ATOM 0 H CYS A 724 -1.822 -13.982 4.110 1.00 53.22 H new ATOM 0 HA CYS A 724 -3.139 -15.489 1.940 1.00 53.20 H new ATOM 0 HB2 CYS A 724 -0.617 -15.200 1.989 1.00 53.43 H new ATOM 0 HB3 CYS A 724 -0.609 -16.061 3.515 1.00 53.43 H new ATOM 2120 N PRO A 725 -4.292 -17.106 3.465 1.00 21.30 N ATOM 2121 CA PRO A 725 -4.982 -18.053 4.330 1.00 53.31 C ATOM 2122 C PRO A 725 -4.174 -19.344 4.480 1.00 72.42 C ATOM 2123 O PRO A 725 -3.388 -19.451 5.438 1.00 37.29 O ATOM 2124 CB PRO A 725 -6.316 -18.335 3.602 1.00 62.02 C ATOM 2125 CG PRO A 725 -6.328 -17.435 2.406 1.00 52.51 C ATOM 2126 CD PRO A 725 -4.901 -17.060 2.132 1.00 63.43 C ATOM 2127 OXT PRO A 725 -4.315 -20.260 3.618 1.00 37.29 O ATOM 0 HA PRO A 725 -5.126 -17.662 5.337 1.00 53.31 H new ATOM 0 HB2 PRO A 725 -6.385 -19.381 3.304 1.00 62.02 H new ATOM 0 HB3 PRO A 725 -7.167 -18.132 4.252 1.00 62.02 H new ATOM 0 HG2 PRO A 725 -6.767 -17.941 1.546 1.00 52.51 H new ATOM 0 HG3 PRO A 725 -6.931 -16.547 2.596 1.00 52.51 H new ATOM 0 HD2 PRO A 725 -4.424 -17.759 1.445 1.00 63.43 H new ATOM 0 HD3 PRO A 725 -4.822 -16.069 1.685 1.00 63.43 H new