USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 864 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 670 GLN : amide:sc= -0.965 K(o=-0.78,f=-5.8!) USER MOD Set 1.2: A 692 THR OG1 : rot 180:sc= 0.184 USER MOD Set 2.1: A 663 SER OG : rot -122:sc= 1.02 USER MOD Set 2.2: A 672 THR OG1 : rot 114:sc= 1.19 USER MOD Set 3.1: A 646 SER OG : rot 140:sc= 0.903 USER MOD Set 3.2: A 648 SER OG : rot 180:sc= 0.0538 USER MOD Set 4.1: A 644 GLN : amide:sc= 0.635 X(o=1.3,f=1.3) USER MOD Set 4.2: A 679 TYR OH : rot 53:sc= 0.498 USER MOD Set 4.3: A 714 TYR OH : rot -102:sc= 0.191 USER MOD Set 5.1: A 587 THR OG1 : rot 107:sc= 1.61 USER MOD Set 5.2: A 598 GLN : amide:sc= -1.96! K(o=-0.35!,f=0.84) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 593 THR OG1 : rot -66:sc= 0.115 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 24:sc= 0.124 USER MOD Single : A 606 THR OG1 : rot 180:sc= -0.0982 USER MOD Single : A 609 THR OG1 : rot -145:sc= -0.649 USER MOD Single : A 610 LYS NZ :NH3+ 168:sc= 0.64 (180deg=0.552) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 4:sc= 1.22 USER MOD Single : A 615 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.982) USER MOD Single : A 618 THR OG1 : rot -27:sc= 1.76 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= 0.903 K(o=0.9,f=-5.6!) USER MOD Single : A 626 ASN : amide:sc= 1.6 K(o=1.6,f=-6.4!) USER MOD Single : A 632 SER OG : rot 125:sc= 1.14 USER MOD Single : A 640 SER OG : rot -53:sc= 0.543 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 168:sc= 1.22 USER MOD Single : A 654 ASN : amide:sc= -2.15! C(o=-2.1!,f=-3.4!) USER MOD Single : A 658 SER OG : rot 150:sc=-0.00121 USER MOD Single : A 659 ASN : amide:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 661 LYS NZ :NH3+ -152:sc= 2.32 (180deg=1.85) USER MOD Single : A 664 TYR OH : rot 71:sc= 0.231 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -159:sc= -0.194 (180deg=-0.751) USER MOD Single : A 673 TYR OH : rot 176:sc= 1.3 USER MOD Single : A 677 THR OG1 : rot -160:sc= 0.45 USER MOD Single : A 680 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 681 ASN : amide:sc= -1.01 K(o=-1,f=-7.6!) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 689 THR OG1 : rot -10:sc= -4.48! USER MOD Single : A 706 TYR OH : rot 60:sc= 0.994 USER MOD Single : A 707 GLN : amide:sc= -0.265 K(o=-0.26,f=-7.7!) USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 THR OG1 : rot -111:sc= 0.669 USER MOD Single : A 715 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 719 TYR OH : rot 30:sc= -1.15 USER MOD Single : A 720 THR OG1 : rot 131:sc= 1.19 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 114 N ARG A 586 11.019 -7.894 9.957 1.00 5.52 N ATOM 115 CA ARG A 586 10.204 -8.151 8.795 1.00 61.55 C ATOM 116 C ARG A 586 10.953 -9.015 7.823 1.00 24.03 C ATOM 117 O ARG A 586 12.187 -9.004 7.783 1.00 33.43 O ATOM 118 CB ARG A 586 9.759 -6.862 8.052 1.00 5.34 C ATOM 119 CG ARG A 586 8.795 -5.934 8.790 1.00 3.33 C ATOM 120 CD ARG A 586 9.432 -5.210 9.966 1.00 52.01 C ATOM 121 NE ARG A 586 8.454 -4.367 10.673 1.00 42.02 N ATOM 122 CZ ARG A 586 8.740 -3.564 11.714 1.00 53.21 C ATOM 123 NH1 ARG A 586 9.995 -3.425 12.132 1.00 4.32 N ATOM 124 NH2 ARG A 586 7.771 -2.888 12.315 1.00 13.14 N ATOM 0 HA ARG A 586 9.308 -8.649 9.164 1.00 61.55 H new ATOM 0 HB2 ARG A 586 10.652 -6.291 7.799 1.00 5.34 H new ATOM 0 HB3 ARG A 586 9.293 -7.157 7.112 1.00 5.34 H new ATOM 0 HG2 ARG A 586 8.404 -5.197 8.089 1.00 3.33 H new ATOM 0 HG3 ARG A 586 7.946 -6.516 9.148 1.00 3.33 H new ATOM 0 HD2 ARG A 586 9.854 -5.939 10.658 1.00 52.01 H new ATOM 0 HD3 ARG A 586 10.257 -4.593 9.611 1.00 52.01 H new ATOM 0 HE ARG A 586 7.487 -4.394 10.349 1.00 42.02 H new ATOM 0 HH11 ARG A 586 10.748 -3.929 11.663 1.00 4.32 H new ATOM 0 HH12 ARG A 586 10.205 -2.815 12.922 1.00 4.32 H new ATOM 0 HH21 ARG A 586 6.809 -2.977 11.988 1.00 13.14 H new ATOM 0 HH22 ARG A 586 7.988 -2.279 13.104 1.00 13.14 H new ATOM 136 N THR A 587 10.232 -9.780 7.084 1.00 22.24 N ATOM 137 CA THR A 587 10.790 -10.558 6.028 1.00 65.12 C ATOM 138 C THR A 587 10.311 -9.969 4.704 1.00 2.25 C ATOM 139 O THR A 587 9.129 -9.640 4.570 1.00 22.45 O ATOM 140 CB THR A 587 10.319 -12.014 6.145 1.00 72.32 C ATOM 141 OG1 THR A 587 10.609 -12.508 7.464 1.00 22.21 O ATOM 142 CG2 THR A 587 11.008 -12.882 5.110 1.00 5.03 C ATOM 0 H THR A 587 9.224 -9.887 7.194 1.00 22.24 H new ATOM 0 HA THR A 587 11.878 -10.540 6.082 1.00 65.12 H new ATOM 0 HB THR A 587 9.244 -12.051 5.968 1.00 72.32 H new ATOM 0 HG1 THR A 587 9.778 -12.574 7.979 1.00 22.21 H new ATOM 0 HG21 THR A 587 10.661 -13.911 5.209 1.00 5.03 H new ATOM 0 HG22 THR A 587 10.772 -12.514 4.111 1.00 5.03 H new ATOM 0 HG23 THR A 587 12.086 -12.846 5.265 1.00 5.03 H new ATOM 148 N GLU A 588 11.204 -9.794 3.751 1.00 74.35 N ATOM 149 CA GLU A 588 10.810 -9.262 2.471 1.00 44.11 C ATOM 150 C GLU A 588 10.807 -10.341 1.407 1.00 22.45 C ATOM 151 O GLU A 588 11.789 -11.075 1.239 1.00 40.24 O ATOM 152 CB GLU A 588 11.671 -8.056 2.025 1.00 14.22 C ATOM 153 CG GLU A 588 13.170 -8.317 1.980 1.00 34.02 C ATOM 154 CD GLU A 588 13.936 -7.203 1.302 1.00 71.54 C ATOM 155 OE1 GLU A 588 14.109 -6.117 1.899 1.00 50.34 O ATOM 156 OE2 GLU A 588 14.366 -7.401 0.145 1.00 2.12 O ATOM 0 H GLU A 588 12.197 -10.011 3.841 1.00 74.35 H new ATOM 0 HA GLU A 588 9.793 -8.891 2.596 1.00 44.11 H new ATOM 0 HB2 GLU A 588 11.342 -7.741 1.035 1.00 14.22 H new ATOM 0 HB3 GLU A 588 11.483 -7.224 2.703 1.00 14.22 H new ATOM 0 HG2 GLU A 588 13.543 -8.443 2.996 1.00 34.02 H new ATOM 0 HG3 GLU A 588 13.356 -9.253 1.454 1.00 34.02 H new ATOM 163 N GLY A 589 9.701 -10.459 0.710 1.00 11.45 N ATOM 164 CA GLY A 589 9.630 -11.404 -0.375 1.00 74.33 C ATOM 165 C GLY A 589 10.162 -10.798 -1.635 1.00 61.25 C ATOM 166 O GLY A 589 10.705 -11.493 -2.480 1.00 34.14 O ATOM 0 H GLY A 589 8.850 -9.920 0.873 1.00 11.45 H new ATOM 0 HA2 GLY A 589 10.202 -12.297 -0.125 1.00 74.33 H new ATOM 0 HA3 GLY A 589 8.597 -11.718 -0.524 1.00 74.33 H new ATOM 170 N ASP A 590 9.994 -9.481 -1.735 1.00 4.32 N ATOM 171 CA ASP A 590 10.471 -8.651 -2.860 1.00 10.14 C ATOM 172 C ASP A 590 9.610 -8.804 -4.120 1.00 24.24 C ATOM 173 O ASP A 590 9.261 -9.912 -4.530 1.00 5.25 O ATOM 174 CB ASP A 590 11.976 -8.869 -3.159 1.00 72.42 C ATOM 175 CG ASP A 590 12.512 -7.940 -4.232 1.00 33.01 C ATOM 176 OD1 ASP A 590 12.775 -6.759 -3.918 1.00 5.21 O ATOM 177 OD2 ASP A 590 12.712 -8.375 -5.385 1.00 60.51 O ATOM 0 H ASP A 590 9.510 -8.938 -1.020 1.00 4.32 H new ATOM 0 HA ASP A 590 10.359 -7.617 -2.534 1.00 10.14 H new ATOM 0 HB2 ASP A 590 12.547 -8.723 -2.242 1.00 72.42 H new ATOM 0 HB3 ASP A 590 12.132 -9.902 -3.470 1.00 72.42 H new ATOM 182 N ASN A 591 9.245 -7.661 -4.687 1.00 2.41 N ATOM 183 CA ASN A 591 8.433 -7.552 -5.912 1.00 3.31 C ATOM 184 C ASN A 591 7.034 -8.174 -5.786 1.00 74.10 C ATOM 185 O ASN A 591 6.812 -9.336 -6.158 1.00 22.14 O ATOM 186 CB ASN A 591 9.181 -8.037 -7.184 1.00 21.24 C ATOM 187 CG ASN A 591 8.342 -7.928 -8.465 1.00 3.44 C ATOM 188 OD1 ASN A 591 7.473 -7.066 -8.592 1.00 30.43 O ATOM 189 ND2 ASN A 591 8.600 -8.796 -9.417 1.00 3.30 N ATOM 0 H ASN A 591 9.509 -6.753 -4.303 1.00 2.41 H new ATOM 0 HA ASN A 591 8.268 -6.482 -6.040 1.00 3.31 H new ATOM 0 HB2 ASN A 591 10.093 -7.452 -7.305 1.00 21.24 H new ATOM 0 HB3 ASN A 591 9.484 -9.075 -7.044 1.00 21.24 H new ATOM 0 HD21 ASN A 591 8.074 -8.767 -10.290 1.00 3.30 H new ATOM 0 HD22 ASN A 591 9.327 -9.499 -9.283 1.00 3.30 H new ATOM 195 N CYS A 592 6.129 -7.412 -5.162 1.00 5.03 N ATOM 196 CA CYS A 592 4.685 -7.733 -5.050 1.00 14.12 C ATOM 197 C CYS A 592 4.375 -9.046 -4.316 1.00 30.14 C ATOM 198 O CYS A 592 3.208 -9.455 -4.224 1.00 50.02 O ATOM 199 CB CYS A 592 4.029 -7.727 -6.427 1.00 11.11 C ATOM 200 SG CYS A 592 4.143 -6.134 -7.292 1.00 42.53 S ATOM 0 H CYS A 592 6.377 -6.533 -4.707 1.00 5.03 H new ATOM 0 HA CYS A 592 4.261 -6.945 -4.428 1.00 14.12 H new ATOM 0 HB2 CYS A 592 4.493 -8.497 -7.043 1.00 11.11 H new ATOM 0 HB3 CYS A 592 2.978 -7.996 -6.319 1.00 11.11 H new ATOM 205 N THR A 593 5.373 -9.679 -3.763 1.00 11.41 N ATOM 206 CA THR A 593 5.168 -10.921 -3.083 1.00 54.33 C ATOM 207 C THR A 593 5.882 -10.903 -1.756 1.00 44.23 C ATOM 208 O THR A 593 6.864 -10.159 -1.581 1.00 65.12 O ATOM 209 CB THR A 593 5.642 -12.126 -3.942 1.00 54.10 C ATOM 210 OG1 THR A 593 7.005 -11.937 -4.339 1.00 43.02 O ATOM 211 CG2 THR A 593 4.781 -12.308 -5.185 1.00 43.44 C ATOM 0 H THR A 593 6.339 -9.351 -3.772 1.00 11.41 H new ATOM 0 HA THR A 593 4.098 -11.042 -2.912 1.00 54.33 H new ATOM 0 HB THR A 593 5.550 -13.022 -3.328 1.00 54.10 H new ATOM 0 HG1 THR A 593 7.066 -11.167 -4.942 1.00 43.02 H new ATOM 0 HG21 THR A 593 5.145 -13.161 -5.758 1.00 43.44 H new ATOM 0 HG22 THR A 593 3.747 -12.485 -4.889 1.00 43.44 H new ATOM 0 HG23 THR A 593 4.834 -11.409 -5.799 1.00 43.44 H new ATOM 217 N VAL A 594 5.385 -11.664 -0.818 1.00 31.40 N ATOM 218 CA VAL A 594 5.984 -11.756 0.462 1.00 44.14 C ATOM 219 C VAL A 594 5.927 -13.166 1.010 1.00 21.41 C ATOM 220 O VAL A 594 4.862 -13.750 1.168 1.00 11.12 O ATOM 221 CB VAL A 594 5.391 -10.727 1.464 1.00 75.15 C ATOM 222 CG1 VAL A 594 3.874 -10.782 1.489 1.00 43.32 C ATOM 223 CG2 VAL A 594 5.937 -10.966 2.853 1.00 52.03 C ATOM 0 H VAL A 594 4.548 -12.236 -0.933 1.00 31.40 H new ATOM 0 HA VAL A 594 7.036 -11.501 0.333 1.00 44.14 H new ATOM 0 HB VAL A 594 5.688 -9.734 1.127 1.00 75.15 H new ATOM 0 HG11 VAL A 594 3.495 -10.049 2.201 1.00 43.32 H new ATOM 0 HG12 VAL A 594 3.485 -10.558 0.496 1.00 43.32 H new ATOM 0 HG13 VAL A 594 3.551 -11.779 1.789 1.00 43.32 H new ATOM 0 HG21 VAL A 594 5.511 -10.236 3.542 1.00 52.03 H new ATOM 0 HG22 VAL A 594 5.672 -11.972 3.180 1.00 52.03 H new ATOM 0 HG23 VAL A 594 7.022 -10.863 2.840 1.00 52.03 H new ATOM 229 N PHE A 595 7.074 -13.710 1.258 1.00 53.31 N ATOM 230 CA PHE A 595 7.187 -14.984 1.883 1.00 23.24 C ATOM 231 C PHE A 595 7.901 -14.764 3.180 1.00 45.34 C ATOM 232 O PHE A 595 8.740 -13.870 3.268 1.00 33.14 O ATOM 233 CB PHE A 595 7.952 -16.006 0.992 1.00 23.24 C ATOM 234 CG PHE A 595 9.377 -15.621 0.650 1.00 63.12 C ATOM 235 CD1 PHE A 595 10.426 -15.944 1.503 1.00 72.44 C ATOM 236 CD2 PHE A 595 9.663 -14.944 -0.521 1.00 33.52 C ATOM 237 CE1 PHE A 595 11.722 -15.594 1.193 1.00 71.44 C ATOM 238 CE2 PHE A 595 10.963 -14.592 -0.837 1.00 10.52 C ATOM 239 CZ PHE A 595 11.991 -14.918 0.024 1.00 1.11 C ATOM 0 H PHE A 595 7.968 -13.276 1.029 1.00 53.31 H new ATOM 0 HA PHE A 595 6.198 -15.413 2.044 1.00 23.24 H new ATOM 0 HB2 PHE A 595 7.965 -16.970 1.501 1.00 23.24 H new ATOM 0 HB3 PHE A 595 7.396 -16.143 0.064 1.00 23.24 H new ATOM 0 HD1 PHE A 595 10.222 -16.476 2.421 1.00 72.44 H new ATOM 0 HD2 PHE A 595 8.861 -14.687 -1.198 1.00 33.52 H new ATOM 0 HE1 PHE A 595 12.527 -15.850 1.867 1.00 71.44 H new ATOM 0 HE2 PHE A 595 11.173 -14.063 -1.755 1.00 10.52 H new ATOM 0 HZ PHE A 595 13.007 -14.643 -0.219 1.00 1.11 H new ATOM 249 N ASP A 596 7.563 -15.512 4.174 1.00 0.15 N ATOM 250 CA ASP A 596 8.216 -15.382 5.446 1.00 22.23 C ATOM 251 C ASP A 596 8.870 -16.689 5.793 1.00 31.31 C ATOM 252 O ASP A 596 8.195 -17.718 5.890 1.00 0.20 O ATOM 253 CB ASP A 596 7.245 -14.983 6.542 1.00 2.24 C ATOM 254 CG ASP A 596 7.980 -14.633 7.806 1.00 4.43 C ATOM 255 OD1 ASP A 596 8.384 -15.544 8.533 1.00 13.52 O ATOM 256 OD2 ASP A 596 8.216 -13.439 8.062 1.00 52.53 O ATOM 0 H ASP A 596 6.835 -16.226 4.137 1.00 0.15 H new ATOM 0 HA ASP A 596 8.963 -14.592 5.370 1.00 22.23 H new ATOM 0 HB2 ASP A 596 6.650 -14.131 6.214 1.00 2.24 H new ATOM 0 HB3 ASP A 596 6.551 -15.801 6.734 1.00 2.24 H new ATOM 261 N SER A 597 10.167 -16.657 5.963 1.00 41.00 N ATOM 262 CA SER A 597 10.935 -17.847 6.223 1.00 24.52 C ATOM 263 C SER A 597 10.646 -18.464 7.606 1.00 63.23 C ATOM 264 O SER A 597 10.510 -19.677 7.725 1.00 61.33 O ATOM 265 CB SER A 597 12.412 -17.524 6.071 1.00 21.51 C ATOM 266 OG SER A 597 12.663 -16.955 4.786 1.00 1.34 O ATOM 0 H SER A 597 10.722 -15.802 5.925 1.00 41.00 H new ATOM 0 HA SER A 597 10.638 -18.602 5.495 1.00 24.52 H new ATOM 0 HB2 SER A 597 12.722 -16.829 6.851 1.00 21.51 H new ATOM 0 HB3 SER A 597 13.005 -18.430 6.198 1.00 21.51 H new ATOM 0 HG SER A 597 13.617 -16.749 4.700 1.00 1.34 H new ATOM 272 N GLN A 598 10.526 -17.643 8.636 1.00 44.42 N ATOM 273 CA GLN A 598 10.299 -18.179 9.968 1.00 61.51 C ATOM 274 C GLN A 598 8.847 -18.557 10.264 1.00 71.51 C ATOM 275 O GLN A 598 8.586 -19.579 10.901 1.00 33.32 O ATOM 276 CB GLN A 598 10.966 -17.384 11.125 1.00 14.41 C ATOM 277 CG GLN A 598 10.729 -15.864 11.217 1.00 64.12 C ATOM 278 CD GLN A 598 11.456 -15.047 10.160 1.00 32.41 C ATOM 279 OE1 GLN A 598 12.604 -14.652 10.349 1.00 12.13 O ATOM 280 NE2 GLN A 598 10.796 -14.730 9.100 1.00 25.41 N ATOM 0 H GLN A 598 10.580 -16.626 8.580 1.00 44.42 H new ATOM 0 HA GLN A 598 10.842 -19.123 9.936 1.00 61.51 H new ATOM 0 HB2 GLN A 598 10.633 -17.827 12.064 1.00 14.41 H new ATOM 0 HB3 GLN A 598 12.042 -17.547 11.059 1.00 14.41 H new ATOM 0 HG2 GLN A 598 9.659 -15.670 11.136 1.00 64.12 H new ATOM 0 HG3 GLN A 598 11.041 -15.519 12.203 1.00 64.12 H new ATOM 0 HE21 GLN A 598 9.844 -15.073 8.970 1.00 25.41 H new ATOM 0 HE22 GLN A 598 11.225 -14.136 8.390 1.00 25.41 H new ATOM 288 N ALA A 599 7.918 -17.759 9.801 1.00 20.50 N ATOM 289 CA ALA A 599 6.502 -18.030 10.025 1.00 23.41 C ATOM 290 C ALA A 599 5.966 -19.042 9.015 1.00 55.34 C ATOM 291 O ALA A 599 4.922 -19.669 9.248 1.00 52.41 O ATOM 292 CB ALA A 599 5.702 -16.734 9.943 1.00 72.53 C ATOM 0 H ALA A 599 8.107 -16.912 9.264 1.00 20.50 H new ATOM 0 HA ALA A 599 6.393 -18.458 11.022 1.00 23.41 H new ATOM 0 HB1 ALA A 599 4.646 -16.947 10.112 1.00 72.53 H new ATOM 0 HB2 ALA A 599 6.058 -16.038 10.703 1.00 72.53 H new ATOM 0 HB3 ALA A 599 5.829 -16.290 8.956 1.00 72.53 H new ATOM 298 N GLY A 600 6.693 -19.226 7.916 1.00 24.43 N ATOM 299 CA GLY A 600 6.299 -20.201 6.910 1.00 5.23 C ATOM 300 C GLY A 600 5.017 -19.795 6.223 1.00 13.33 C ATOM 301 O GLY A 600 4.017 -20.517 6.253 1.00 54.22 O ATOM 0 H GLY A 600 7.550 -18.716 7.703 1.00 24.43 H new ATOM 0 HA2 GLY A 600 7.093 -20.304 6.171 1.00 5.23 H new ATOM 0 HA3 GLY A 600 6.170 -21.177 7.378 1.00 5.23 H new ATOM 305 N PHE A 601 5.034 -18.639 5.626 1.00 61.13 N ATOM 306 CA PHE A 601 3.863 -18.104 4.982 1.00 43.31 C ATOM 307 C PHE A 601 4.277 -17.495 3.650 1.00 22.20 C ATOM 308 O PHE A 601 5.365 -16.951 3.545 1.00 42.23 O ATOM 309 CB PHE A 601 3.239 -17.043 5.907 1.00 72.24 C ATOM 310 CG PHE A 601 1.909 -16.495 5.466 1.00 75.03 C ATOM 311 CD1 PHE A 601 0.739 -17.139 5.819 1.00 2.14 C ATOM 312 CD2 PHE A 601 1.828 -15.335 4.727 1.00 20.40 C ATOM 313 CE1 PHE A 601 -0.483 -16.639 5.443 1.00 41.34 C ATOM 314 CE2 PHE A 601 0.606 -14.829 4.347 1.00 32.42 C ATOM 315 CZ PHE A 601 -0.551 -15.483 4.708 1.00 33.42 C ATOM 0 H PHE A 601 5.857 -18.039 5.570 1.00 61.13 H new ATOM 0 HA PHE A 601 3.124 -18.883 4.794 1.00 43.31 H new ATOM 0 HB2 PHE A 601 3.121 -17.477 6.900 1.00 72.24 H new ATOM 0 HB3 PHE A 601 3.940 -16.213 6.003 1.00 72.24 H new ATOM 0 HD1 PHE A 601 0.786 -18.049 6.399 1.00 2.14 H new ATOM 0 HD2 PHE A 601 2.733 -14.818 4.443 1.00 20.40 H new ATOM 0 HE1 PHE A 601 -1.389 -17.155 5.725 1.00 41.34 H new ATOM 0 HE2 PHE A 601 0.554 -13.920 3.766 1.00 32.42 H new ATOM 0 HZ PHE A 601 -1.511 -15.086 4.413 1.00 33.42 H new ATOM 325 N SER A 602 3.438 -17.602 2.646 1.00 71.31 N ATOM 326 CA SER A 602 3.739 -17.035 1.345 1.00 0.32 C ATOM 327 C SER A 602 2.511 -16.338 0.770 1.00 64.02 C ATOM 328 O SER A 602 1.430 -16.938 0.673 1.00 72.34 O ATOM 329 CB SER A 602 4.253 -18.127 0.403 1.00 42.33 C ATOM 330 OG SER A 602 3.329 -19.205 0.315 1.00 3.42 O ATOM 0 H SER A 602 2.537 -18.078 2.702 1.00 71.31 H new ATOM 0 HA SER A 602 4.523 -16.286 1.456 1.00 0.32 H new ATOM 0 HB2 SER A 602 4.421 -17.707 -0.588 1.00 42.33 H new ATOM 0 HB3 SER A 602 5.214 -18.496 0.760 1.00 42.33 H new ATOM 0 HG SER A 602 2.431 -18.885 0.541 1.00 3.42 H new ATOM 336 N PHE A 603 2.650 -15.079 0.426 1.00 71.11 N ATOM 337 CA PHE A 603 1.548 -14.343 -0.102 1.00 20.51 C ATOM 338 C PHE A 603 1.962 -13.460 -1.247 1.00 50.52 C ATOM 339 O PHE A 603 3.108 -13.021 -1.333 1.00 62.12 O ATOM 340 CB PHE A 603 0.881 -13.504 0.953 1.00 73.04 C ATOM 341 CG PHE A 603 -0.626 -13.623 0.849 1.00 61.25 C ATOM 342 CD1 PHE A 603 -1.302 -14.617 1.530 1.00 74.35 C ATOM 343 CD2 PHE A 603 -1.349 -12.771 0.038 1.00 15.42 C ATOM 344 CE1 PHE A 603 -2.670 -14.755 1.412 1.00 54.32 C ATOM 345 CE2 PHE A 603 -2.712 -12.905 -0.092 1.00 42.13 C ATOM 346 CZ PHE A 603 -3.378 -13.900 0.598 1.00 53.42 C ATOM 0 H PHE A 603 3.519 -14.552 0.506 1.00 71.11 H new ATOM 0 HA PHE A 603 0.837 -15.084 -0.467 1.00 20.51 H new ATOM 0 HB2 PHE A 603 1.210 -13.823 1.942 1.00 73.04 H new ATOM 0 HB3 PHE A 603 1.178 -12.462 0.839 1.00 73.04 H new ATOM 0 HD1 PHE A 603 -0.752 -15.296 2.164 1.00 74.35 H new ATOM 0 HD2 PHE A 603 -0.837 -11.988 -0.502 1.00 15.42 H new ATOM 0 HE1 PHE A 603 -3.184 -15.532 1.957 1.00 54.32 H new ATOM 0 HE2 PHE A 603 -3.262 -12.232 -0.734 1.00 42.13 H new ATOM 0 HZ PHE A 603 -4.448 -14.006 0.499 1.00 53.42 H new ATOM 356 N ASP A 604 1.038 -13.209 -2.110 1.00 22.41 N ATOM 357 CA ASP A 604 1.247 -12.321 -3.226 1.00 1.42 C ATOM 358 C ASP A 604 0.165 -11.277 -3.208 1.00 33.14 C ATOM 359 O ASP A 604 -1.024 -11.588 -3.210 1.00 34.44 O ATOM 360 CB ASP A 604 1.324 -13.047 -4.599 1.00 3.42 C ATOM 361 CG ASP A 604 0.053 -13.740 -5.040 1.00 34.50 C ATOM 362 OD1 ASP A 604 -0.164 -14.922 -4.663 1.00 21.11 O ATOM 363 OD2 ASP A 604 -0.730 -13.131 -5.794 1.00 44.01 O ATOM 0 H ASP A 604 0.103 -13.614 -2.069 1.00 22.41 H new ATOM 0 HA ASP A 604 2.225 -11.855 -3.110 1.00 1.42 H new ATOM 0 HB2 ASP A 604 1.603 -12.319 -5.360 1.00 3.42 H new ATOM 0 HB3 ASP A 604 2.124 -13.786 -4.556 1.00 3.42 H new ATOM 368 N LEU A 605 0.570 -10.045 -3.135 1.00 5.43 N ATOM 369 CA LEU A 605 -0.365 -8.940 -3.035 1.00 13.43 C ATOM 370 C LEU A 605 -0.414 -8.194 -4.326 1.00 1.15 C ATOM 371 O LEU A 605 -0.983 -7.116 -4.422 1.00 22.31 O ATOM 372 CB LEU A 605 -0.024 -8.012 -1.865 1.00 23.11 C ATOM 373 CG LEU A 605 -0.220 -8.566 -0.433 1.00 33.30 C ATOM 374 CD1 LEU A 605 -1.665 -8.941 -0.165 1.00 53.51 C ATOM 375 CD2 LEU A 605 0.700 -9.732 -0.108 1.00 41.43 C ATOM 0 H LEU A 605 1.551 -9.767 -3.142 1.00 5.43 H new ATOM 0 HA LEU A 605 -1.355 -9.349 -2.833 1.00 13.43 H new ATOM 0 HB2 LEU A 605 1.018 -7.709 -1.969 1.00 23.11 H new ATOM 0 HB3 LEU A 605 -0.629 -7.111 -1.963 1.00 23.11 H new ATOM 0 HG LEU A 605 0.055 -7.748 0.233 1.00 33.30 H new ATOM 0 HD11 LEU A 605 -1.759 -9.325 0.851 1.00 53.51 H new ATOM 0 HD12 LEU A 605 -2.297 -8.060 -0.280 1.00 53.51 H new ATOM 0 HD13 LEU A 605 -1.979 -9.707 -0.873 1.00 53.51 H new ATOM 0 HD21 LEU A 605 0.511 -10.072 0.910 1.00 41.43 H new ATOM 0 HD22 LEU A 605 0.512 -10.549 -0.804 1.00 41.43 H new ATOM 0 HD23 LEU A 605 1.738 -9.412 -0.196 1.00 41.43 H new ATOM 383 N THR A 606 0.175 -8.812 -5.310 1.00 74.42 N ATOM 384 CA THR A 606 0.189 -8.365 -6.676 1.00 43.12 C ATOM 385 C THR A 606 -1.237 -7.908 -7.154 1.00 21.33 C ATOM 386 O THR A 606 -1.373 -6.816 -7.692 1.00 41.43 O ATOM 387 CB THR A 606 0.688 -9.513 -7.570 1.00 31.51 C ATOM 388 OG1 THR A 606 1.878 -10.079 -6.987 1.00 4.14 O ATOM 389 CG2 THR A 606 1.023 -9.002 -8.942 1.00 3.13 C ATOM 0 H THR A 606 0.684 -9.685 -5.175 1.00 74.42 H new ATOM 0 HA THR A 606 0.854 -7.505 -6.749 1.00 43.12 H new ATOM 0 HB THR A 606 -0.097 -10.265 -7.648 1.00 31.51 H new ATOM 0 HG1 THR A 606 2.201 -10.813 -7.551 1.00 4.14 H new ATOM 0 HG21 THR A 606 1.374 -9.827 -9.562 1.00 3.13 H new ATOM 0 HG22 THR A 606 0.134 -8.562 -9.394 1.00 3.13 H new ATOM 0 HG23 THR A 606 1.804 -8.246 -8.868 1.00 3.13 H new ATOM 395 N PRO A 607 -2.334 -8.734 -6.941 1.00 64.32 N ATOM 396 CA PRO A 607 -3.708 -8.342 -7.332 1.00 3.30 C ATOM 397 C PRO A 607 -4.214 -7.052 -6.634 1.00 20.43 C ATOM 398 O PRO A 607 -5.228 -6.482 -7.037 1.00 55.02 O ATOM 399 CB PRO A 607 -4.569 -9.548 -6.902 1.00 11.32 C ATOM 400 CG PRO A 607 -3.735 -10.296 -5.923 1.00 31.45 C ATOM 401 CD PRO A 607 -2.325 -10.107 -6.372 1.00 13.11 C ATOM 0 HA PRO A 607 -3.755 -8.112 -8.396 1.00 3.30 H new ATOM 0 HB2 PRO A 607 -5.506 -9.222 -6.452 1.00 11.32 H new ATOM 0 HB3 PRO A 607 -4.827 -10.172 -7.757 1.00 11.32 H new ATOM 0 HG2 PRO A 607 -3.879 -9.914 -4.912 1.00 31.45 H new ATOM 0 HG3 PRO A 607 -4.003 -11.352 -5.906 1.00 31.45 H new ATOM 0 HD2 PRO A 607 -1.623 -10.195 -5.543 1.00 13.11 H new ATOM 0 HD3 PRO A 607 -2.036 -10.850 -7.116 1.00 13.11 H new ATOM 409 N LEU A 608 -3.512 -6.595 -5.605 1.00 24.21 N ATOM 410 CA LEU A 608 -3.895 -5.401 -4.900 1.00 22.43 C ATOM 411 C LEU A 608 -3.215 -4.172 -5.493 1.00 71.11 C ATOM 412 O LEU A 608 -3.552 -3.056 -5.145 1.00 22.23 O ATOM 413 CB LEU A 608 -3.576 -5.484 -3.392 1.00 43.24 C ATOM 414 CG LEU A 608 -4.386 -6.460 -2.512 1.00 4.42 C ATOM 415 CD1 LEU A 608 -4.117 -7.908 -2.854 1.00 70.52 C ATOM 416 CD2 LEU A 608 -4.112 -6.194 -1.044 1.00 40.20 C ATOM 0 H LEU A 608 -2.670 -7.044 -5.246 1.00 24.21 H new ATOM 0 HA LEU A 608 -4.975 -5.310 -5.015 1.00 22.43 H new ATOM 0 HB2 LEU A 608 -2.523 -5.746 -3.292 1.00 43.24 H new ATOM 0 HB3 LEU A 608 -3.697 -4.485 -2.974 1.00 43.24 H new ATOM 0 HG LEU A 608 -5.441 -6.281 -2.717 1.00 4.42 H new ATOM 0 HD11 LEU A 608 -4.712 -8.552 -2.206 1.00 70.52 H new ATOM 0 HD12 LEU A 608 -4.386 -8.092 -3.894 1.00 70.52 H new ATOM 0 HD13 LEU A 608 -3.059 -8.126 -2.709 1.00 70.52 H new ATOM 0 HD21 LEU A 608 -4.689 -6.889 -0.434 1.00 40.20 H new ATOM 0 HD22 LEU A 608 -3.050 -6.330 -0.842 1.00 40.20 H new ATOM 0 HD23 LEU A 608 -4.400 -5.172 -0.800 1.00 40.20 H new ATOM 424 N THR A 609 -2.265 -4.380 -6.370 1.00 43.21 N ATOM 425 CA THR A 609 -1.560 -3.288 -6.997 1.00 62.14 C ATOM 426 C THR A 609 -2.444 -2.647 -8.074 1.00 21.12 C ATOM 427 O THR A 609 -3.049 -3.351 -8.891 1.00 33.23 O ATOM 428 CB THR A 609 -0.239 -3.795 -7.624 1.00 3.32 C ATOM 429 OG1 THR A 609 0.544 -4.432 -6.604 1.00 35.44 O ATOM 430 CG2 THR A 609 0.565 -2.647 -8.230 1.00 24.31 C ATOM 0 H THR A 609 -1.959 -5.306 -6.669 1.00 43.21 H new ATOM 0 HA THR A 609 -1.323 -2.539 -6.241 1.00 62.14 H new ATOM 0 HB THR A 609 -0.481 -4.499 -8.420 1.00 3.32 H new ATOM 0 HG1 THR A 609 1.495 -4.267 -6.771 1.00 35.44 H new ATOM 0 HG21 THR A 609 1.487 -3.037 -8.662 1.00 24.31 H new ATOM 0 HG22 THR A 609 -0.024 -2.162 -9.008 1.00 24.31 H new ATOM 0 HG23 THR A 609 0.807 -1.922 -7.453 1.00 24.31 H new ATOM 436 N LYS A 610 -2.536 -1.335 -8.067 1.00 45.03 N ATOM 437 CA LYS A 610 -3.335 -0.625 -9.050 1.00 51.44 C ATOM 438 C LYS A 610 -2.440 0.267 -9.858 1.00 73.31 C ATOM 439 O LYS A 610 -1.457 0.782 -9.345 1.00 65.31 O ATOM 440 CB LYS A 610 -4.344 0.302 -8.384 1.00 64.32 C ATOM 441 CG LYS A 610 -5.325 -0.310 -7.422 1.00 50.04 C ATOM 442 CD LYS A 610 -6.239 0.783 -6.857 1.00 31.41 C ATOM 443 CE LYS A 610 -7.176 1.339 -7.902 1.00 12.25 C ATOM 444 NZ LYS A 610 -7.890 2.551 -7.438 1.00 30.31 N ATOM 0 H LYS A 610 -2.067 -0.734 -7.390 1.00 45.03 H new ATOM 0 HA LYS A 610 -3.844 -1.376 -9.655 1.00 51.44 H new ATOM 0 HB2 LYS A 610 -3.789 1.075 -7.852 1.00 64.32 H new ATOM 0 HB3 LYS A 610 -4.911 0.801 -9.170 1.00 64.32 H new ATOM 0 HG2 LYS A 610 -5.920 -1.070 -7.928 1.00 50.04 H new ATOM 0 HG3 LYS A 610 -4.793 -0.808 -6.612 1.00 50.04 H new ATOM 0 HD2 LYS A 610 -6.820 0.376 -6.030 1.00 31.41 H new ATOM 0 HD3 LYS A 610 -5.629 1.590 -6.452 1.00 31.41 H new ATOM 0 HE2 LYS A 610 -6.610 1.577 -8.803 1.00 12.25 H new ATOM 0 HE3 LYS A 610 -7.904 0.575 -8.176 1.00 12.25 H new ATOM 0 HZ1 LYS A 610 -8.359 3.008 -8.246 1.00 30.31 H new ATOM 0 HZ2 LYS A 610 -8.603 2.284 -6.729 1.00 30.31 H new ATOM 0 HZ3 LYS A 610 -7.210 3.213 -7.013 1.00 30.31 H new ATOM 458 N LYS A 611 -2.765 0.467 -11.100 1.00 13.22 N ATOM 459 CA LYS A 611 -2.048 1.449 -11.886 1.00 4.34 C ATOM 460 C LYS A 611 -2.520 2.860 -11.495 1.00 13.35 C ATOM 461 O LYS A 611 -1.833 3.844 -11.725 1.00 31.41 O ATOM 462 CB LYS A 611 -2.205 1.205 -13.390 1.00 2.52 C ATOM 463 CG LYS A 611 -3.631 1.252 -13.887 1.00 72.20 C ATOM 464 CD LYS A 611 -3.691 1.050 -15.381 1.00 2.43 C ATOM 465 CE LYS A 611 -5.115 1.106 -15.879 1.00 32.03 C ATOM 466 NZ LYS A 611 -5.187 0.996 -17.342 1.00 21.53 N ATOM 0 H LYS A 611 -3.510 -0.025 -11.593 1.00 13.22 H new ATOM 0 HA LYS A 611 -0.984 1.355 -11.669 1.00 4.34 H new ATOM 0 HB2 LYS A 611 -1.621 1.951 -13.929 1.00 2.52 H new ATOM 0 HB3 LYS A 611 -1.781 0.231 -13.633 1.00 2.52 H new ATOM 0 HG2 LYS A 611 -4.219 0.481 -13.389 1.00 72.20 H new ATOM 0 HG3 LYS A 611 -4.078 2.212 -13.628 1.00 72.20 H new ATOM 0 HD2 LYS A 611 -3.098 1.817 -15.879 1.00 2.43 H new ATOM 0 HD3 LYS A 611 -3.249 0.087 -15.639 1.00 2.43 H new ATOM 0 HE2 LYS A 611 -5.691 0.299 -15.425 1.00 32.03 H new ATOM 0 HE3 LYS A 611 -5.574 2.042 -15.562 1.00 32.03 H new ATOM 0 HZ1 LYS A 611 -6.181 1.039 -17.645 1.00 21.53 H new ATOM 0 HZ2 LYS A 611 -4.659 1.780 -17.775 1.00 21.53 H new ATOM 0 HZ3 LYS A 611 -4.772 0.091 -17.643 1.00 21.53 H new ATOM 480 N ASP A 612 -3.718 2.919 -10.902 1.00 51.22 N ATOM 481 CA ASP A 612 -4.352 4.173 -10.440 1.00 43.03 C ATOM 482 C ASP A 612 -3.928 4.536 -9.011 1.00 43.52 C ATOM 483 O ASP A 612 -3.952 5.720 -8.622 1.00 53.41 O ATOM 484 CB ASP A 612 -5.879 4.006 -10.495 1.00 60.44 C ATOM 485 CG ASP A 612 -6.648 5.195 -9.973 1.00 74.14 C ATOM 486 OD1 ASP A 612 -6.743 6.206 -10.696 1.00 61.11 O ATOM 487 OD2 ASP A 612 -7.174 5.131 -8.835 1.00 52.33 O ATOM 0 H ASP A 612 -4.286 2.091 -10.724 1.00 51.22 H new ATOM 0 HA ASP A 612 -4.028 4.982 -11.095 1.00 43.03 H new ATOM 0 HB2 ASP A 612 -6.176 3.819 -11.527 1.00 60.44 H new ATOM 0 HB3 ASP A 612 -6.158 3.124 -9.918 1.00 60.44 H new ATOM 492 N ALA A 613 -3.516 3.510 -8.256 1.00 22.13 N ATOM 493 CA ALA A 613 -3.144 3.617 -6.834 1.00 65.02 C ATOM 494 C ALA A 613 -4.374 3.841 -5.930 1.00 63.52 C ATOM 495 O ALA A 613 -5.507 3.976 -6.410 1.00 53.34 O ATOM 496 CB ALA A 613 -2.061 4.675 -6.590 1.00 34.42 C ATOM 0 H ALA A 613 -3.429 2.562 -8.621 1.00 22.13 H new ATOM 0 HA ALA A 613 -2.711 2.656 -6.557 1.00 65.02 H new ATOM 0 HB1 ALA A 613 -1.823 4.714 -5.527 1.00 34.42 H new ATOM 0 HB2 ALA A 613 -1.165 4.415 -7.153 1.00 34.42 H new ATOM 0 HB3 ALA A 613 -2.424 5.649 -6.916 1.00 34.42 H new ATOM 502 N TYR A 614 -4.144 3.819 -4.641 1.00 42.04 N ATOM 503 CA TYR A 614 -5.182 4.003 -3.630 1.00 72.23 C ATOM 504 C TYR A 614 -5.148 5.375 -3.028 1.00 3.33 C ATOM 505 O TYR A 614 -4.087 6.002 -2.939 1.00 12.43 O ATOM 506 CB TYR A 614 -5.048 2.958 -2.529 1.00 44.53 C ATOM 507 CG TYR A 614 -5.313 1.586 -3.030 1.00 72.14 C ATOM 508 CD1 TYR A 614 -4.309 0.848 -3.607 1.00 12.13 C ATOM 509 CD2 TYR A 614 -6.582 1.042 -2.968 1.00 31.20 C ATOM 510 CE1 TYR A 614 -4.549 -0.390 -4.100 1.00 25.21 C ATOM 511 CE2 TYR A 614 -6.839 -0.205 -3.469 1.00 14.32 C ATOM 512 CZ TYR A 614 -5.822 -0.920 -4.032 1.00 11.54 C ATOM 513 OH TYR A 614 -6.075 -2.156 -4.560 1.00 14.32 O ATOM 0 H TYR A 614 -3.215 3.670 -4.246 1.00 42.04 H new ATOM 0 HA TYR A 614 -6.141 3.882 -4.134 1.00 72.23 H new ATOM 0 HB2 TYR A 614 -4.044 3.002 -2.107 1.00 44.53 H new ATOM 0 HB3 TYR A 614 -5.743 3.190 -1.722 1.00 44.53 H new ATOM 0 HD1 TYR A 614 -3.313 1.261 -3.668 1.00 12.13 H new ATOM 0 HD2 TYR A 614 -7.383 1.610 -2.517 1.00 31.20 H new ATOM 0 HE1 TYR A 614 -3.747 -0.961 -4.545 1.00 25.21 H new ATOM 0 HE2 TYR A 614 -7.835 -0.619 -3.419 1.00 14.32 H new ATOM 0 HH TYR A 614 -5.239 -2.549 -4.887 1.00 14.32 H new ATOM 523 N LYS A 615 -6.298 5.837 -2.623 1.00 43.40 N ATOM 524 CA LYS A 615 -6.429 7.119 -2.016 1.00 2.32 C ATOM 525 C LYS A 615 -6.760 7.004 -0.534 1.00 23.44 C ATOM 526 O LYS A 615 -7.580 6.184 -0.124 1.00 72.53 O ATOM 527 CB LYS A 615 -7.429 7.999 -2.800 1.00 24.13 C ATOM 528 CG LYS A 615 -8.859 7.460 -2.962 1.00 3.11 C ATOM 529 CD LYS A 615 -9.728 7.600 -1.716 1.00 40.31 C ATOM 530 CE LYS A 615 -9.911 9.054 -1.311 1.00 24.43 C ATOM 531 NZ LYS A 615 -10.854 9.185 -0.182 1.00 21.15 N ATOM 0 H LYS A 615 -7.175 5.324 -2.709 1.00 43.40 H new ATOM 0 HA LYS A 615 -5.465 7.626 -2.066 1.00 2.32 H new ATOM 0 HB2 LYS A 615 -7.487 8.968 -2.305 1.00 24.13 H new ATOM 0 HB3 LYS A 615 -7.019 8.173 -3.795 1.00 24.13 H new ATOM 0 HG2 LYS A 615 -9.341 7.984 -3.787 1.00 3.11 H new ATOM 0 HG3 LYS A 615 -8.809 6.407 -3.239 1.00 3.11 H new ATOM 0 HD2 LYS A 615 -10.703 7.150 -1.901 1.00 40.31 H new ATOM 0 HD3 LYS A 615 -9.273 7.049 -0.893 1.00 40.31 H new ATOM 0 HE2 LYS A 615 -8.947 9.480 -1.033 1.00 24.43 H new ATOM 0 HE3 LYS A 615 -10.279 9.627 -2.162 1.00 24.43 H new ATOM 0 HZ1 LYS A 615 -10.905 10.181 0.114 1.00 21.15 H new ATOM 0 HZ2 LYS A 615 -11.797 8.863 -0.479 1.00 21.15 H new ATOM 0 HZ3 LYS A 615 -10.524 8.604 0.615 1.00 21.15 H new ATOM 545 N VAL A 616 -6.080 7.783 0.248 1.00 63.41 N ATOM 546 CA VAL A 616 -6.267 7.859 1.675 1.00 43.52 C ATOM 547 C VAL A 616 -6.353 9.327 2.026 1.00 71.52 C ATOM 548 O VAL A 616 -5.437 10.064 1.756 1.00 51.42 O ATOM 549 CB VAL A 616 -5.048 7.229 2.417 1.00 13.44 C ATOM 550 CG1 VAL A 616 -5.170 7.357 3.921 1.00 60.21 C ATOM 551 CG2 VAL A 616 -4.848 5.773 2.025 1.00 62.23 C ATOM 0 H VAL A 616 -5.352 8.409 -0.096 1.00 63.41 H new ATOM 0 HA VAL A 616 -7.165 7.318 1.972 1.00 43.52 H new ATOM 0 HB VAL A 616 -4.169 7.793 2.104 1.00 13.44 H new ATOM 0 HG11 VAL A 616 -4.300 6.905 4.396 1.00 60.21 H new ATOM 0 HG12 VAL A 616 -5.226 8.411 4.193 1.00 60.21 H new ATOM 0 HG13 VAL A 616 -6.073 6.847 4.257 1.00 60.21 H new ATOM 0 HG21 VAL A 616 -3.990 5.366 2.561 1.00 62.23 H new ATOM 0 HG22 VAL A 616 -5.740 5.201 2.281 1.00 62.23 H new ATOM 0 HG23 VAL A 616 -4.670 5.706 0.952 1.00 62.23 H new ATOM 557 N GLU A 617 -7.433 9.766 2.589 1.00 11.20 N ATOM 558 CA GLU A 617 -7.556 11.168 2.873 1.00 63.42 C ATOM 559 C GLU A 617 -7.813 11.440 4.331 1.00 11.25 C ATOM 560 O GLU A 617 -8.370 10.603 5.060 1.00 45.33 O ATOM 561 CB GLU A 617 -8.650 11.832 2.035 1.00 72.24 C ATOM 562 CG GLU A 617 -10.051 11.333 2.336 1.00 10.23 C ATOM 563 CD GLU A 617 -11.099 12.115 1.617 1.00 13.33 C ATOM 564 OE1 GLU A 617 -11.490 13.195 2.123 1.00 34.30 O ATOM 565 OE2 GLU A 617 -11.538 11.674 0.541 1.00 14.24 O ATOM 0 H GLU A 617 -8.231 9.191 2.859 1.00 11.20 H new ATOM 0 HA GLU A 617 -6.593 11.603 2.605 1.00 63.42 H new ATOM 0 HB2 GLU A 617 -8.616 12.909 2.201 1.00 72.24 H new ATOM 0 HB3 GLU A 617 -8.436 11.665 0.979 1.00 72.24 H new ATOM 0 HG2 GLU A 617 -10.128 10.283 2.055 1.00 10.23 H new ATOM 0 HG3 GLU A 617 -10.231 11.390 3.409 1.00 10.23 H new ATOM 572 N THR A 618 -7.385 12.597 4.740 1.00 71.33 N ATOM 573 CA THR A 618 -7.637 13.146 6.034 1.00 1.31 C ATOM 574 C THR A 618 -7.974 14.613 5.807 1.00 63.21 C ATOM 575 O THR A 618 -8.021 15.052 4.642 1.00 5.23 O ATOM 576 CB THR A 618 -6.396 13.030 6.955 1.00 2.53 C ATOM 577 OG1 THR A 618 -5.253 13.643 6.335 1.00 70.35 O ATOM 578 CG2 THR A 618 -6.084 11.586 7.290 1.00 72.20 C ATOM 0 H THR A 618 -6.824 13.211 4.150 1.00 71.33 H new ATOM 0 HA THR A 618 -8.446 12.606 6.527 1.00 1.31 H new ATOM 0 HB THR A 618 -6.627 13.552 7.884 1.00 2.53 H new ATOM 0 HG1 THR A 618 -5.351 13.606 5.361 1.00 70.35 H new ATOM 0 HG21 THR A 618 -5.208 11.544 7.937 1.00 72.20 H new ATOM 0 HG22 THR A 618 -6.936 11.139 7.803 1.00 72.20 H new ATOM 0 HG23 THR A 618 -5.883 11.035 6.371 1.00 72.20 H new ATOM 584 N ASP A 619 -8.219 15.362 6.856 1.00 32.30 N ATOM 585 CA ASP A 619 -8.493 16.795 6.702 1.00 21.04 C ATOM 586 C ASP A 619 -7.217 17.538 6.388 1.00 1.22 C ATOM 587 O ASP A 619 -7.229 18.592 5.744 1.00 35.44 O ATOM 588 CB ASP A 619 -9.150 17.402 7.945 1.00 22.23 C ATOM 589 CG ASP A 619 -10.482 16.785 8.273 1.00 54.11 C ATOM 590 OD1 ASP A 619 -11.467 17.054 7.557 1.00 54.11 O ATOM 591 OD2 ASP A 619 -10.564 16.030 9.266 1.00 43.45 O ATOM 0 H ASP A 619 -8.237 15.022 7.817 1.00 32.30 H new ATOM 0 HA ASP A 619 -9.196 16.898 5.876 1.00 21.04 H new ATOM 0 HB2 ASP A 619 -8.481 17.281 8.797 1.00 22.23 H new ATOM 0 HB3 ASP A 619 -9.281 18.473 7.792 1.00 22.23 H new ATOM 596 N LYS A 620 -6.111 16.991 6.856 1.00 14.32 N ATOM 597 CA LYS A 620 -4.811 17.590 6.645 1.00 43.21 C ATOM 598 C LYS A 620 -4.214 17.210 5.295 1.00 44.31 C ATOM 599 O LYS A 620 -3.953 18.077 4.452 1.00 51.23 O ATOM 600 CB LYS A 620 -3.843 17.196 7.764 1.00 24.13 C ATOM 601 CG LYS A 620 -4.227 17.714 9.140 1.00 23.33 C ATOM 602 CD LYS A 620 -3.240 17.268 10.221 1.00 74.42 C ATOM 603 CE LYS A 620 -3.242 15.758 10.404 1.00 64.34 C ATOM 604 NZ LYS A 620 -2.321 15.324 11.473 1.00 11.23 N ATOM 0 H LYS A 620 -6.090 16.123 7.391 1.00 14.32 H new ATOM 0 HA LYS A 620 -4.958 18.670 6.656 1.00 43.21 H new ATOM 0 HB2 LYS A 620 -3.777 16.109 7.804 1.00 24.13 H new ATOM 0 HB3 LYS A 620 -2.849 17.567 7.514 1.00 24.13 H new ATOM 0 HG2 LYS A 620 -4.271 18.803 9.117 1.00 23.33 H new ATOM 0 HG3 LYS A 620 -5.226 17.360 9.394 1.00 23.33 H new ATOM 0 HD2 LYS A 620 -2.236 17.600 9.955 1.00 74.42 H new ATOM 0 HD3 LYS A 620 -3.495 17.748 11.166 1.00 74.42 H new ATOM 0 HE2 LYS A 620 -4.252 15.424 10.640 1.00 64.34 H new ATOM 0 HE3 LYS A 620 -2.959 15.280 9.466 1.00 64.34 H new ATOM 0 HZ1 LYS A 620 -2.356 14.288 11.562 1.00 11.23 H new ATOM 0 HZ2 LYS A 620 -1.352 15.619 11.237 1.00 11.23 H new ATOM 0 HZ3 LYS A 620 -2.606 15.758 12.374 1.00 11.23 H new ATOM 618 N TYR A 621 -4.013 15.922 5.074 1.00 11.13 N ATOM 619 CA TYR A 621 -3.321 15.477 3.874 1.00 23.32 C ATOM 620 C TYR A 621 -4.123 14.415 3.160 1.00 42.03 C ATOM 621 O TYR A 621 -5.089 13.863 3.703 1.00 15.32 O ATOM 622 CB TYR A 621 -1.966 14.837 4.243 1.00 12.44 C ATOM 623 CG TYR A 621 -1.108 15.624 5.202 1.00 23.14 C ATOM 624 CD1 TYR A 621 -0.324 16.681 4.774 1.00 12.51 C ATOM 625 CD2 TYR A 621 -1.091 15.295 6.551 1.00 11.03 C ATOM 626 CE1 TYR A 621 0.455 17.394 5.667 1.00 11.43 C ATOM 627 CE2 TYR A 621 -0.325 15.992 7.448 1.00 20.14 C ATOM 628 CZ TYR A 621 0.450 17.048 7.003 1.00 65.44 C ATOM 629 OH TYR A 621 1.221 17.762 7.896 1.00 51.44 O ATOM 0 H TYR A 621 -4.314 15.174 5.699 1.00 11.13 H new ATOM 0 HA TYR A 621 -3.182 16.351 3.238 1.00 23.32 H new ATOM 0 HB2 TYR A 621 -2.155 13.855 4.676 1.00 12.44 H new ATOM 0 HB3 TYR A 621 -1.399 14.677 3.326 1.00 12.44 H new ATOM 0 HD1 TYR A 621 -0.320 16.953 3.729 1.00 12.51 H new ATOM 0 HD2 TYR A 621 -1.695 14.471 6.901 1.00 11.03 H new ATOM 0 HE1 TYR A 621 1.063 18.216 5.321 1.00 11.43 H new ATOM 0 HE2 TYR A 621 -0.326 15.719 8.493 1.00 20.14 H new ATOM 0 HH TYR A 621 1.105 17.393 8.796 1.00 51.44 H new ATOM 639 N GLU A 622 -3.736 14.143 1.961 1.00 72.13 N ATOM 640 CA GLU A 622 -4.236 13.027 1.244 1.00 33.22 C ATOM 641 C GLU A 622 -3.035 12.199 0.832 1.00 44.21 C ATOM 642 O GLU A 622 -2.065 12.718 0.299 1.00 45.13 O ATOM 643 CB GLU A 622 -5.086 13.434 0.027 1.00 24.41 C ATOM 644 CG GLU A 622 -4.355 14.240 -1.024 1.00 3.30 C ATOM 645 CD GLU A 622 -5.202 14.498 -2.228 1.00 71.12 C ATOM 646 OE1 GLU A 622 -5.536 13.530 -2.938 1.00 25.41 O ATOM 647 OE2 GLU A 622 -5.556 15.658 -2.491 1.00 62.21 O ATOM 0 H GLU A 622 -3.053 14.699 1.446 1.00 72.13 H new ATOM 0 HA GLU A 622 -4.911 12.452 1.878 1.00 33.22 H new ATOM 0 HB2 GLU A 622 -5.481 12.531 -0.439 1.00 24.41 H new ATOM 0 HB3 GLU A 622 -5.941 14.013 0.377 1.00 24.41 H new ATOM 0 HG2 GLU A 622 -4.038 15.190 -0.595 1.00 3.30 H new ATOM 0 HG3 GLU A 622 -3.452 13.708 -1.324 1.00 3.30 H new ATOM 654 N PHE A 623 -3.091 10.958 1.097 1.00 62.31 N ATOM 655 CA PHE A 623 -2.006 10.076 0.845 1.00 62.45 C ATOM 656 C PHE A 623 -2.405 9.151 -0.267 1.00 41.50 C ATOM 657 O PHE A 623 -3.544 8.699 -0.320 1.00 22.13 O ATOM 658 CB PHE A 623 -1.701 9.247 2.109 1.00 24.11 C ATOM 659 CG PHE A 623 -1.484 10.056 3.365 1.00 43.44 C ATOM 660 CD1 PHE A 623 -2.557 10.399 4.183 1.00 15.41 C ATOM 661 CD2 PHE A 623 -0.222 10.455 3.733 1.00 45.41 C ATOM 662 CE1 PHE A 623 -2.362 11.129 5.337 1.00 23.10 C ATOM 663 CE2 PHE A 623 -0.017 11.188 4.888 1.00 71.30 C ATOM 664 CZ PHE A 623 -1.089 11.524 5.691 1.00 33.20 C ATOM 0 H PHE A 623 -3.908 10.505 1.506 1.00 62.31 H new ATOM 0 HA PHE A 623 -1.118 10.646 0.572 1.00 62.45 H new ATOM 0 HB2 PHE A 623 -2.525 8.554 2.279 1.00 24.11 H new ATOM 0 HB3 PHE A 623 -0.811 8.645 1.924 1.00 24.11 H new ATOM 0 HD1 PHE A 623 -3.555 10.089 3.910 1.00 15.41 H new ATOM 0 HD2 PHE A 623 0.622 10.193 3.112 1.00 45.41 H new ATOM 0 HE1 PHE A 623 -3.204 11.390 5.961 1.00 23.10 H new ATOM 0 HE2 PHE A 623 0.981 11.497 5.162 1.00 71.30 H new ATOM 0 HZ PHE A 623 -0.931 12.095 6.594 1.00 33.20 H new ATOM 674 N HIS A 624 -1.524 8.906 -1.171 1.00 25.23 N ATOM 675 CA HIS A 624 -1.796 7.958 -2.209 1.00 61.20 C ATOM 676 C HIS A 624 -0.791 6.860 -2.127 1.00 62.01 C ATOM 677 O HIS A 624 0.421 7.119 -2.077 1.00 53.11 O ATOM 678 CB HIS A 624 -1.869 8.607 -3.595 1.00 44.24 C ATOM 679 CG HIS A 624 -3.018 9.581 -3.729 1.00 23.25 C ATOM 680 ND1 HIS A 624 -4.244 9.232 -4.241 1.00 55.22 N ATOM 681 CD2 HIS A 624 -3.125 10.889 -3.381 1.00 2.25 C ATOM 682 CE1 HIS A 624 -5.053 10.273 -4.198 1.00 2.21 C ATOM 683 NE2 HIS A 624 -4.396 11.286 -3.683 1.00 73.30 N ATOM 0 H HIS A 624 -0.605 9.346 -1.219 1.00 25.23 H new ATOM 0 HA HIS A 624 -2.788 7.534 -2.057 1.00 61.20 H new ATOM 0 HB2 HIS A 624 -0.933 9.127 -3.797 1.00 44.24 H new ATOM 0 HB3 HIS A 624 -1.970 7.828 -4.351 1.00 44.24 H new ATOM 0 HD2 HIS A 624 -2.349 11.502 -2.946 1.00 2.25 H new ATOM 0 HE1 HIS A 624 -6.081 10.289 -4.530 1.00 2.21 H new ATOM 0 HE2 HIS A 624 -4.775 12.221 -3.532 1.00 73.30 H new ATOM 692 N ILE A 625 -1.282 5.644 -2.069 1.00 40.14 N ATOM 693 CA ILE A 625 -0.450 4.483 -1.823 1.00 74.10 C ATOM 694 C ILE A 625 -0.719 3.435 -2.883 1.00 71.53 C ATOM 695 O ILE A 625 -1.815 3.364 -3.420 1.00 62.42 O ATOM 696 CB ILE A 625 -0.796 3.865 -0.438 1.00 71.24 C ATOM 697 CG1 ILE A 625 -0.776 4.945 0.642 1.00 11.15 C ATOM 698 CG2 ILE A 625 0.182 2.743 -0.082 1.00 15.41 C ATOM 699 CD1 ILE A 625 -1.137 4.443 2.011 1.00 0.54 C ATOM 0 H ILE A 625 -2.271 5.429 -2.191 1.00 40.14 H new ATOM 0 HA ILE A 625 0.595 4.792 -1.845 1.00 74.10 H new ATOM 0 HB ILE A 625 -1.798 3.440 -0.495 1.00 71.24 H new ATOM 0 HG12 ILE A 625 0.219 5.389 0.679 1.00 11.15 H new ATOM 0 HG13 ILE A 625 -1.469 5.738 0.362 1.00 11.15 H new ATOM 0 HG21 ILE A 625 -0.080 2.327 0.891 1.00 15.41 H new ATOM 0 HG22 ILE A 625 0.128 1.960 -0.838 1.00 15.41 H new ATOM 0 HG23 ILE A 625 1.196 3.142 -0.044 1.00 15.41 H new ATOM 0 HD11 ILE A 625 -1.100 5.268 2.722 1.00 0.54 H new ATOM 0 HD12 ILE A 625 -2.143 4.025 1.992 1.00 0.54 H new ATOM 0 HD13 ILE A 625 -0.429 3.671 2.314 1.00 0.54 H new ATOM 706 N ASN A 626 0.264 2.645 -3.187 1.00 13.34 N ATOM 707 CA ASN A 626 0.114 1.579 -4.128 1.00 63.20 C ATOM 708 C ASN A 626 0.942 0.435 -3.608 1.00 63.31 C ATOM 709 O ASN A 626 1.881 0.678 -2.886 1.00 61.31 O ATOM 710 CB ASN A 626 0.566 2.038 -5.512 1.00 13.45 C ATOM 711 CG ASN A 626 0.169 1.100 -6.612 1.00 11.03 C ATOM 712 OD1 ASN A 626 -0.802 0.331 -6.482 1.00 3.33 O ATOM 713 ND2 ASN A 626 0.843 1.193 -7.715 1.00 43.03 N ATOM 0 H ASN A 626 1.199 2.722 -2.787 1.00 13.34 H new ATOM 0 HA ASN A 626 -0.925 1.267 -4.234 1.00 63.20 H new ATOM 0 HB2 ASN A 626 0.145 3.023 -5.715 1.00 13.45 H new ATOM 0 HB3 ASN A 626 1.650 2.149 -5.513 1.00 13.45 H new ATOM 0 HD21 ASN A 626 0.585 0.623 -8.520 1.00 43.03 H new ATOM 0 HD22 ASN A 626 1.632 1.836 -7.778 1.00 43.03 H new ATOM 719 N VAL A 627 0.574 -0.791 -3.920 1.00 4.40 N ATOM 720 CA VAL A 627 1.254 -1.976 -3.359 1.00 52.14 C ATOM 721 C VAL A 627 2.652 -2.178 -3.945 1.00 10.00 C ATOM 722 O VAL A 627 3.555 -2.692 -3.288 1.00 25.04 O ATOM 723 CB VAL A 627 0.387 -3.254 -3.536 1.00 2.33 C ATOM 724 CG1 VAL A 627 1.073 -4.490 -2.967 1.00 10.21 C ATOM 725 CG2 VAL A 627 -0.957 -3.055 -2.873 1.00 44.32 C ATOM 0 H VAL A 627 -0.191 -1.009 -4.558 1.00 4.40 H new ATOM 0 HA VAL A 627 1.381 -1.791 -2.292 1.00 52.14 H new ATOM 0 HB VAL A 627 0.250 -3.419 -4.605 1.00 2.33 H new ATOM 0 HG11 VAL A 627 0.433 -5.360 -3.112 1.00 10.21 H new ATOM 0 HG12 VAL A 627 2.022 -4.648 -3.480 1.00 10.21 H new ATOM 0 HG13 VAL A 627 1.256 -4.347 -1.902 1.00 10.21 H new ATOM 0 HG21 VAL A 627 -1.562 -3.953 -2.999 1.00 44.32 H new ATOM 0 HG22 VAL A 627 -0.813 -2.861 -1.810 1.00 44.32 H new ATOM 0 HG23 VAL A 627 -1.467 -2.207 -3.331 1.00 44.32 H new ATOM 731 N CYS A 628 2.816 -1.762 -5.143 1.00 62.12 N ATOM 732 CA CYS A 628 4.070 -1.900 -5.824 1.00 72.42 C ATOM 733 C CYS A 628 4.287 -0.720 -6.728 1.00 24.05 C ATOM 734 O CYS A 628 3.340 -0.212 -7.323 1.00 63.05 O ATOM 735 CB CYS A 628 4.077 -3.167 -6.700 1.00 31.14 C ATOM 736 SG CYS A 628 3.844 -4.757 -5.832 1.00 73.44 S ATOM 0 H CYS A 628 2.085 -1.311 -5.694 1.00 62.12 H new ATOM 0 HA CYS A 628 4.856 -1.964 -5.071 1.00 72.42 H new ATOM 0 HB2 CYS A 628 3.291 -3.069 -7.449 1.00 31.14 H new ATOM 0 HB3 CYS A 628 5.025 -3.206 -7.236 1.00 31.14 H new ATOM 741 N GLY A 629 5.510 -0.287 -6.828 1.00 55.23 N ATOM 742 CA GLY A 629 5.852 0.706 -7.801 1.00 23.13 C ATOM 743 C GLY A 629 5.466 2.101 -7.392 1.00 14.41 C ATOM 744 O GLY A 629 5.593 2.458 -6.223 1.00 62.03 O ATOM 0 H GLY A 629 6.286 -0.606 -6.248 1.00 55.23 H new ATOM 0 HA2 GLY A 629 6.926 0.672 -7.981 1.00 23.13 H new ATOM 0 HA3 GLY A 629 5.363 0.463 -8.744 1.00 23.13 H new ATOM 748 N PRO A 630 5.026 2.933 -8.344 1.00 60.31 N ATOM 749 CA PRO A 630 4.644 4.290 -8.082 1.00 61.44 C ATOM 750 C PRO A 630 3.163 4.463 -7.825 1.00 1.40 C ATOM 751 O PRO A 630 2.352 3.553 -8.049 1.00 42.12 O ATOM 752 CB PRO A 630 5.029 5.015 -9.376 1.00 43.30 C ATOM 753 CG PRO A 630 5.197 3.941 -10.421 1.00 12.10 C ATOM 754 CD PRO A 630 4.888 2.621 -9.764 1.00 44.14 C ATOM 0 HA PRO A 630 5.128 4.667 -7.181 1.00 61.44 H new ATOM 0 HB2 PRO A 630 4.257 5.727 -9.669 1.00 43.30 H new ATOM 0 HB3 PRO A 630 5.952 5.581 -9.246 1.00 43.30 H new ATOM 0 HG2 PRO A 630 4.527 4.117 -11.263 1.00 12.10 H new ATOM 0 HG3 PRO A 630 6.213 3.945 -10.815 1.00 12.10 H new ATOM 0 HD2 PRO A 630 3.884 2.272 -10.007 1.00 44.14 H new ATOM 0 HD3 PRO A 630 5.581 1.840 -10.077 1.00 44.14 H new ATOM 762 N VAL A 631 2.818 5.624 -7.356 1.00 1.21 N ATOM 763 CA VAL A 631 1.443 5.989 -7.160 1.00 71.11 C ATOM 764 C VAL A 631 1.058 7.036 -8.170 1.00 31.31 C ATOM 765 O VAL A 631 1.838 7.951 -8.452 1.00 72.21 O ATOM 766 CB VAL A 631 1.174 6.536 -5.726 1.00 42.54 C ATOM 767 CG1 VAL A 631 1.405 5.465 -4.718 1.00 31.22 C ATOM 768 CG2 VAL A 631 2.054 7.745 -5.402 1.00 61.35 C ATOM 0 H VAL A 631 3.485 6.351 -7.096 1.00 1.21 H new ATOM 0 HA VAL A 631 0.842 5.089 -7.288 1.00 71.11 H new ATOM 0 HB VAL A 631 0.134 6.859 -5.690 1.00 42.54 H new ATOM 0 HG11 VAL A 631 1.214 5.858 -3.719 1.00 31.22 H new ATOM 0 HG12 VAL A 631 0.733 4.630 -4.914 1.00 31.22 H new ATOM 0 HG13 VAL A 631 2.438 5.122 -4.782 1.00 31.22 H new ATOM 0 HG21 VAL A 631 1.835 8.095 -4.393 1.00 61.35 H new ATOM 0 HG22 VAL A 631 3.104 7.459 -5.466 1.00 61.35 H new ATOM 0 HG23 VAL A 631 1.852 8.544 -6.115 1.00 61.35 H new ATOM 774 N SER A 632 -0.102 6.897 -8.757 1.00 11.25 N ATOM 775 CA SER A 632 -0.531 7.924 -9.658 1.00 31.10 C ATOM 776 C SER A 632 -1.226 9.027 -8.891 1.00 73.43 C ATOM 777 O SER A 632 -2.207 8.787 -8.167 1.00 63.24 O ATOM 778 CB SER A 632 -1.444 7.346 -10.721 1.00 10.04 C ATOM 779 OG SER A 632 -0.745 6.384 -11.490 1.00 32.30 O ATOM 0 H SER A 632 -0.743 6.113 -8.633 1.00 11.25 H new ATOM 0 HA SER A 632 0.342 8.347 -10.156 1.00 31.10 H new ATOM 0 HB2 SER A 632 -2.315 6.887 -10.253 1.00 10.04 H new ATOM 0 HB3 SER A 632 -1.812 8.142 -11.368 1.00 10.04 H new ATOM 0 HG SER A 632 -1.232 5.534 -11.471 1.00 32.30 H new ATOM 785 N VAL A 633 -0.721 10.231 -9.065 1.00 52.20 N ATOM 786 CA VAL A 633 -1.231 11.430 -8.427 1.00 64.11 C ATOM 787 C VAL A 633 -0.847 12.582 -9.337 1.00 25.02 C ATOM 788 O VAL A 633 0.230 12.543 -9.938 1.00 13.43 O ATOM 789 CB VAL A 633 -0.561 11.706 -7.027 1.00 10.00 C ATOM 790 CG1 VAL A 633 -1.241 12.843 -6.286 1.00 25.52 C ATOM 791 CG2 VAL A 633 -0.473 10.479 -6.147 1.00 43.54 C ATOM 0 H VAL A 633 0.079 10.409 -9.672 1.00 52.20 H new ATOM 0 HA VAL A 633 -2.304 11.318 -8.269 1.00 64.11 H new ATOM 0 HB VAL A 633 0.462 12.004 -7.255 1.00 10.00 H new ATOM 0 HG11 VAL A 633 -0.747 12.999 -5.327 1.00 25.52 H new ATOM 0 HG12 VAL A 633 -1.176 13.755 -6.880 1.00 25.52 H new ATOM 0 HG13 VAL A 633 -2.289 12.593 -6.118 1.00 25.52 H new ATOM 0 HG21 VAL A 633 -0.002 10.743 -5.200 1.00 43.54 H new ATOM 0 HG22 VAL A 633 -1.475 10.094 -5.958 1.00 43.54 H new ATOM 0 HG23 VAL A 633 0.121 9.714 -6.647 1.00 43.54 H new ATOM 797 N GLY A 634 -1.681 13.581 -9.447 1.00 35.20 N ATOM 798 CA GLY A 634 -1.347 14.711 -10.278 1.00 64.30 C ATOM 799 C GLY A 634 -0.286 15.591 -9.638 1.00 43.24 C ATOM 800 O GLY A 634 0.596 16.119 -10.316 1.00 35.53 O ATOM 0 H GLY A 634 -2.586 13.638 -8.979 1.00 35.20 H new ATOM 0 HA2 GLY A 634 -0.990 14.357 -11.245 1.00 64.30 H new ATOM 0 HA3 GLY A 634 -2.244 15.302 -10.465 1.00 64.30 H new ATOM 804 N ALA A 635 -0.362 15.726 -8.330 1.00 73.32 N ATOM 805 CA ALA A 635 0.556 16.568 -7.574 1.00 21.34 C ATOM 806 C ALA A 635 1.823 15.819 -7.117 1.00 32.32 C ATOM 807 O ALA A 635 2.660 16.387 -6.409 1.00 20.10 O ATOM 808 CB ALA A 635 -0.162 17.166 -6.375 1.00 61.33 C ATOM 0 H ALA A 635 -1.062 15.256 -7.756 1.00 73.32 H new ATOM 0 HA ALA A 635 0.888 17.361 -8.244 1.00 21.34 H new ATOM 0 HB1 ALA A 635 0.529 17.795 -5.813 1.00 61.33 H new ATOM 0 HB2 ALA A 635 -1.003 17.768 -6.718 1.00 61.33 H new ATOM 0 HB3 ALA A 635 -0.527 16.365 -5.733 1.00 61.33 H new ATOM 814 N CYS A 636 1.976 14.582 -7.519 1.00 42.23 N ATOM 815 CA CYS A 636 3.144 13.807 -7.124 1.00 33.53 C ATOM 816 C CYS A 636 3.800 13.211 -8.347 1.00 51.34 C ATOM 817 O CYS A 636 3.136 13.030 -9.384 1.00 20.11 O ATOM 818 CB CYS A 636 2.772 12.694 -6.133 1.00 14.12 C ATOM 819 SG CYS A 636 1.979 13.279 -4.607 1.00 62.04 S ATOM 0 H CYS A 636 1.315 14.085 -8.116 1.00 42.23 H new ATOM 0 HA CYS A 636 3.842 14.479 -6.625 1.00 33.53 H new ATOM 0 HB2 CYS A 636 2.102 11.992 -6.629 1.00 14.12 H new ATOM 0 HB3 CYS A 636 3.675 12.142 -5.870 1.00 14.12 H new ATOM 824 N PRO A 637 5.100 12.919 -8.287 1.00 60.31 N ATOM 825 CA PRO A 637 5.798 12.332 -9.404 1.00 72.10 C ATOM 826 C PRO A 637 5.544 10.825 -9.489 1.00 11.35 C ATOM 827 O PRO A 637 5.397 10.148 -8.459 1.00 14.24 O ATOM 828 CB PRO A 637 7.272 12.606 -9.080 1.00 40.12 C ATOM 829 CG PRO A 637 7.336 12.626 -7.592 1.00 21.43 C ATOM 830 CD PRO A 637 6.004 13.134 -7.116 1.00 0.51 C ATOM 0 HA PRO A 637 5.478 12.743 -10.362 1.00 72.10 H new ATOM 0 HB2 PRO A 637 7.919 11.832 -9.494 1.00 40.12 H new ATOM 0 HB3 PRO A 637 7.600 13.555 -9.503 1.00 40.12 H new ATOM 0 HG2 PRO A 637 7.534 11.629 -7.199 1.00 21.43 H new ATOM 0 HG3 PRO A 637 8.144 13.272 -7.247 1.00 21.43 H new ATOM 0 HD2 PRO A 637 5.658 12.588 -6.238 1.00 0.51 H new ATOM 0 HD3 PRO A 637 6.054 14.187 -6.837 1.00 0.51 H new ATOM 838 N PRO A 638 5.517 10.262 -10.700 1.00 32.12 N ATOM 839 CA PRO A 638 5.334 8.809 -10.907 1.00 32.21 C ATOM 840 C PRO A 638 6.620 8.024 -10.558 1.00 72.45 C ATOM 841 O PRO A 638 6.869 6.938 -11.067 1.00 24.33 O ATOM 842 CB PRO A 638 5.034 8.714 -12.405 1.00 13.04 C ATOM 843 CG PRO A 638 5.706 9.895 -13.004 1.00 5.11 C ATOM 844 CD PRO A 638 5.640 10.990 -11.981 1.00 24.31 C ATOM 0 HA PRO A 638 4.553 8.384 -10.276 1.00 32.21 H new ATOM 0 HB2 PRO A 638 5.418 7.785 -12.827 1.00 13.04 H new ATOM 0 HB3 PRO A 638 3.961 8.731 -12.595 1.00 13.04 H new ATOM 0 HG2 PRO A 638 6.740 9.664 -13.259 1.00 5.11 H new ATOM 0 HG3 PRO A 638 5.210 10.196 -13.927 1.00 5.11 H new ATOM 0 HD2 PRO A 638 6.533 11.614 -12.003 1.00 24.31 H new ATOM 0 HD3 PRO A 638 4.788 11.648 -12.152 1.00 24.31 H new ATOM 852 N ASP A 639 7.400 8.597 -9.674 1.00 4.42 N ATOM 853 CA ASP A 639 8.652 8.038 -9.195 1.00 41.12 C ATOM 854 C ASP A 639 8.542 7.773 -7.684 1.00 61.44 C ATOM 855 O ASP A 639 9.388 7.091 -7.071 1.00 72.21 O ATOM 856 CB ASP A 639 9.802 9.013 -9.523 1.00 11.03 C ATOM 857 CG ASP A 639 11.159 8.580 -8.997 1.00 74.22 C ATOM 858 OD1 ASP A 639 11.767 7.637 -9.563 1.00 22.12 O ATOM 859 OD2 ASP A 639 11.652 9.199 -8.032 1.00 41.32 O ATOM 0 H ASP A 639 7.177 9.498 -9.250 1.00 4.42 H new ATOM 0 HA ASP A 639 8.863 7.090 -9.689 1.00 41.12 H new ATOM 0 HB2 ASP A 639 9.866 9.130 -10.605 1.00 11.03 H new ATOM 0 HB3 ASP A 639 9.561 9.992 -9.110 1.00 11.03 H new ATOM 864 N SER A 640 7.482 8.306 -7.088 1.00 24.24 N ATOM 865 CA SER A 640 7.201 8.064 -5.698 1.00 70.13 C ATOM 866 C SER A 640 6.181 6.942 -5.575 1.00 42.35 C ATOM 867 O SER A 640 5.213 6.890 -6.347 1.00 1.04 O ATOM 868 CB SER A 640 6.701 9.340 -5.012 1.00 3.55 C ATOM 869 OG SER A 640 5.574 9.895 -5.674 1.00 34.31 O ATOM 0 H SER A 640 6.807 8.910 -7.557 1.00 24.24 H new ATOM 0 HA SER A 640 8.120 7.762 -5.196 1.00 70.13 H new ATOM 0 HB2 SER A 640 6.440 9.117 -3.978 1.00 3.55 H new ATOM 0 HB3 SER A 640 7.505 10.076 -4.986 1.00 3.55 H new ATOM 0 HG SER A 640 5.781 10.020 -6.624 1.00 34.31 H new ATOM 875 N GLY A 641 6.401 6.044 -4.639 1.00 12.11 N ATOM 876 CA GLY A 641 5.500 4.923 -4.476 1.00 21.33 C ATOM 877 C GLY A 641 4.566 5.114 -3.311 1.00 31.33 C ATOM 878 O GLY A 641 3.720 4.279 -3.023 1.00 41.14 O ATOM 0 H GLY A 641 7.185 6.066 -3.987 1.00 12.11 H new ATOM 0 HA2 GLY A 641 4.919 4.790 -5.388 1.00 21.33 H new ATOM 0 HA3 GLY A 641 6.079 4.011 -4.331 1.00 21.33 H new ATOM 882 N ALA A 642 4.749 6.219 -2.640 1.00 41.31 N ATOM 883 CA ALA A 642 3.873 6.686 -1.585 1.00 70.00 C ATOM 884 C ALA A 642 4.015 8.202 -1.514 1.00 2.41 C ATOM 885 O ALA A 642 5.134 8.707 -1.384 1.00 14.31 O ATOM 886 CB ALA A 642 4.243 6.041 -0.255 1.00 23.53 C ATOM 0 H ALA A 642 5.536 6.844 -2.814 1.00 41.31 H new ATOM 0 HA ALA A 642 2.839 6.412 -1.795 1.00 70.00 H new ATOM 0 HB1 ALA A 642 3.574 6.405 0.524 1.00 23.53 H new ATOM 0 HB2 ALA A 642 4.150 4.958 -0.337 1.00 23.53 H new ATOM 0 HB3 ALA A 642 5.271 6.298 0.001 1.00 23.53 H new ATOM 892 N CYS A 643 2.916 8.928 -1.627 1.00 24.20 N ATOM 893 CA CYS A 643 2.991 10.402 -1.644 1.00 11.44 C ATOM 894 C CYS A 643 1.792 11.059 -0.956 1.00 43.01 C ATOM 895 O CYS A 643 0.648 10.617 -1.126 1.00 13.31 O ATOM 896 CB CYS A 643 3.147 10.935 -3.069 1.00 35.45 C ATOM 897 SG CYS A 643 3.308 12.753 -3.177 1.00 73.50 S ATOM 0 H CYS A 643 1.975 8.544 -1.707 1.00 24.20 H new ATOM 0 HA CYS A 643 3.880 10.670 -1.073 1.00 11.44 H new ATOM 0 HB2 CYS A 643 4.026 10.476 -3.522 1.00 35.45 H new ATOM 0 HB3 CYS A 643 2.285 10.622 -3.658 1.00 35.45 H new ATOM 902 N GLN A 644 2.073 12.085 -0.157 1.00 71.22 N ATOM 903 CA GLN A 644 1.061 12.829 0.544 1.00 52.33 C ATOM 904 C GLN A 644 0.940 14.210 -0.060 1.00 1.51 C ATOM 905 O GLN A 644 1.945 14.860 -0.373 1.00 4.03 O ATOM 906 CB GLN A 644 1.374 12.968 2.058 1.00 44.44 C ATOM 907 CG GLN A 644 2.672 13.713 2.375 1.00 13.13 C ATOM 908 CD GLN A 644 2.873 14.017 3.856 1.00 45.14 C ATOM 909 OE1 GLN A 644 1.921 14.183 4.607 1.00 52.42 O ATOM 910 NE2 GLN A 644 4.113 14.108 4.278 1.00 11.12 N ATOM 0 H GLN A 644 3.022 12.417 0.016 1.00 71.22 H new ATOM 0 HA GLN A 644 0.126 12.279 0.444 1.00 52.33 H new ATOM 0 HB2 GLN A 644 0.546 13.487 2.541 1.00 44.44 H new ATOM 0 HB3 GLN A 644 1.426 11.972 2.498 1.00 44.44 H new ATOM 0 HG2 GLN A 644 3.514 13.119 2.020 1.00 13.13 H new ATOM 0 HG3 GLN A 644 2.685 14.650 1.818 1.00 13.13 H new ATOM 0 HE21 GLN A 644 4.885 13.964 3.627 1.00 11.12 H new ATOM 0 HE22 GLN A 644 4.304 14.322 5.257 1.00 11.12 H new ATOM 918 N VAL A 645 -0.254 14.638 -0.245 1.00 14.34 N ATOM 919 CA VAL A 645 -0.515 15.960 -0.707 1.00 31.42 C ATOM 920 C VAL A 645 -1.293 16.655 0.378 1.00 13.34 C ATOM 921 O VAL A 645 -2.325 16.154 0.816 1.00 33.12 O ATOM 922 CB VAL A 645 -1.345 15.976 -2.024 1.00 30.44 C ATOM 923 CG1 VAL A 645 -1.519 17.401 -2.541 1.00 71.21 C ATOM 924 CG2 VAL A 645 -0.713 15.090 -3.088 1.00 3.31 C ATOM 0 H VAL A 645 -1.090 14.078 -0.080 1.00 14.34 H new ATOM 0 HA VAL A 645 0.430 16.457 -0.924 1.00 31.42 H new ATOM 0 HB VAL A 645 -2.332 15.572 -1.797 1.00 30.44 H new ATOM 0 HG11 VAL A 645 -2.102 17.385 -3.462 1.00 71.21 H new ATOM 0 HG12 VAL A 645 -2.039 17.999 -1.792 1.00 71.21 H new ATOM 0 HG13 VAL A 645 -0.540 17.838 -2.739 1.00 71.21 H new ATOM 0 HG21 VAL A 645 -1.317 15.123 -3.995 1.00 3.31 H new ATOM 0 HG22 VAL A 645 0.293 15.447 -3.308 1.00 3.31 H new ATOM 0 HG23 VAL A 645 -0.662 14.064 -2.724 1.00 3.31 H new ATOM 930 N SER A 646 -0.792 17.757 0.845 1.00 23.12 N ATOM 931 CA SER A 646 -1.478 18.504 1.841 1.00 2.02 C ATOM 932 C SER A 646 -2.683 19.136 1.202 1.00 72.20 C ATOM 933 O SER A 646 -2.620 19.609 0.072 1.00 34.14 O ATOM 934 CB SER A 646 -0.560 19.572 2.439 1.00 51.54 C ATOM 935 OG SER A 646 -1.227 20.327 3.431 1.00 32.32 O ATOM 0 H SER A 646 0.097 18.158 0.546 1.00 23.12 H new ATOM 0 HA SER A 646 -1.789 17.848 2.654 1.00 2.02 H new ATOM 0 HB2 SER A 646 0.320 19.097 2.872 1.00 51.54 H new ATOM 0 HB3 SER A 646 -0.208 20.236 1.649 1.00 51.54 H new ATOM 0 HG SER A 646 -0.616 20.497 4.178 1.00 32.32 H new ATOM 941 N ARG A 647 -3.759 19.144 1.900 1.00 72.25 N ATOM 942 CA ARG A 647 -4.971 19.691 1.367 1.00 12.34 C ATOM 943 C ARG A 647 -5.092 21.114 1.870 1.00 54.15 C ATOM 944 O ARG A 647 -5.594 22.002 1.180 1.00 24.45 O ATOM 945 CB ARG A 647 -6.160 18.824 1.806 1.00 0.44 C ATOM 946 CG ARG A 647 -5.913 17.334 1.555 1.00 63.44 C ATOM 947 CD ARG A 647 -7.079 16.452 1.966 1.00 64.31 C ATOM 948 NE ARG A 647 -8.191 16.482 1.015 1.00 60.44 N ATOM 949 CZ ARG A 647 -9.296 15.734 1.124 1.00 53.42 C ATOM 950 NH1 ARG A 647 -9.550 15.067 2.249 1.00 52.41 N ATOM 951 NH2 ARG A 647 -10.163 15.685 0.121 1.00 12.11 N ATOM 0 H ARG A 647 -3.834 18.778 2.849 1.00 72.25 H new ATOM 0 HA ARG A 647 -4.962 19.698 0.277 1.00 12.34 H new ATOM 0 HB2 ARG A 647 -6.353 18.985 2.867 1.00 0.44 H new ATOM 0 HB3 ARG A 647 -7.055 19.138 1.268 1.00 0.44 H new ATOM 0 HG2 ARG A 647 -5.707 17.181 0.496 1.00 63.44 H new ATOM 0 HG3 ARG A 647 -5.022 17.024 2.101 1.00 63.44 H new ATOM 0 HD2 ARG A 647 -6.729 15.425 2.073 1.00 64.31 H new ATOM 0 HD3 ARG A 647 -7.438 16.770 2.945 1.00 64.31 H new ATOM 0 HE ARG A 647 -8.120 17.114 0.217 1.00 60.44 H new ATOM 0 HH11 ARG A 647 -8.901 15.125 3.034 1.00 52.41 H new ATOM 0 HH12 ARG A 647 -10.394 14.499 2.326 1.00 52.41 H new ATOM 0 HH21 ARG A 647 -9.987 16.217 -0.732 1.00 12.11 H new ATOM 0 HH22 ARG A 647 -11.005 15.116 0.202 1.00 12.11 H new ATOM 963 N SER A 648 -4.573 21.327 3.059 1.00 3.21 N ATOM 964 CA SER A 648 -4.568 22.609 3.700 1.00 70.43 C ATOM 965 C SER A 648 -3.394 23.500 3.214 1.00 70.14 C ATOM 966 O SER A 648 -3.544 24.715 3.072 1.00 44.21 O ATOM 967 CB SER A 648 -4.528 22.384 5.203 1.00 44.23 C ATOM 968 OG SER A 648 -3.509 21.446 5.524 1.00 1.11 O ATOM 0 H SER A 648 -4.134 20.592 3.614 1.00 3.21 H new ATOM 0 HA SER A 648 -5.474 23.154 3.435 1.00 70.43 H new ATOM 0 HB2 SER A 648 -4.341 23.327 5.716 1.00 44.23 H new ATOM 0 HB3 SER A 648 -5.494 22.018 5.551 1.00 44.23 H new ATOM 0 HG SER A 648 -3.487 21.306 6.494 1.00 1.11 H new ATOM 974 N ASP A 649 -2.235 22.897 2.965 1.00 71.41 N ATOM 975 CA ASP A 649 -1.059 23.655 2.491 1.00 51.42 C ATOM 976 C ASP A 649 -0.801 23.421 1.012 1.00 62.13 C ATOM 977 O ASP A 649 0.043 24.085 0.407 1.00 2.24 O ATOM 978 CB ASP A 649 0.210 23.301 3.288 1.00 75.41 C ATOM 979 CG ASP A 649 0.135 23.683 4.748 1.00 44.53 C ATOM 980 OD1 ASP A 649 0.359 24.864 5.078 1.00 64.31 O ATOM 981 OD2 ASP A 649 -0.126 22.808 5.598 1.00 13.34 O ATOM 0 H ASP A 649 -2.076 21.896 3.079 1.00 71.41 H new ATOM 0 HA ASP A 649 -1.291 24.708 2.649 1.00 51.42 H new ATOM 0 HB2 ASP A 649 0.390 22.229 3.211 1.00 75.41 H new ATOM 0 HB3 ASP A 649 1.065 23.801 2.834 1.00 75.41 H new ATOM 986 N ARG A 650 -1.519 22.462 0.442 1.00 21.50 N ATOM 987 CA ARG A 650 -1.415 22.074 -0.978 1.00 51.43 C ATOM 988 C ARG A 650 0.018 21.742 -1.457 1.00 52.25 C ATOM 989 O ARG A 650 0.313 21.801 -2.647 1.00 20.40 O ATOM 990 CB ARG A 650 -2.084 23.114 -1.852 1.00 40.21 C ATOM 991 CG ARG A 650 -3.578 23.183 -1.615 1.00 53.41 C ATOM 992 CD ARG A 650 -4.206 24.260 -2.438 1.00 1.41 C ATOM 993 NE ARG A 650 -5.664 24.295 -2.282 1.00 55.20 N ATOM 994 CZ ARG A 650 -6.455 25.274 -2.725 1.00 24.22 C ATOM 995 NH1 ARG A 650 -5.928 26.342 -3.318 1.00 22.03 N ATOM 996 NH2 ARG A 650 -7.772 25.191 -2.560 1.00 73.11 N ATOM 0 H ARG A 650 -2.208 21.914 0.957 1.00 21.50 H new ATOM 0 HA ARG A 650 -1.948 21.128 -1.075 1.00 51.43 H new ATOM 0 HB2 ARG A 650 -1.641 24.090 -1.656 1.00 40.21 H new ATOM 0 HB3 ARG A 650 -1.894 22.882 -2.900 1.00 40.21 H new ATOM 0 HG2 ARG A 650 -4.032 22.223 -1.860 1.00 53.41 H new ATOM 0 HG3 ARG A 650 -3.773 23.368 -0.559 1.00 53.41 H new ATOM 0 HD2 ARG A 650 -3.788 25.225 -2.151 1.00 1.41 H new ATOM 0 HD3 ARG A 650 -3.958 24.104 -3.488 1.00 1.41 H new ATOM 0 HE ARG A 650 -6.106 23.513 -1.799 1.00 55.20 H new ATOM 0 HH11 ARG A 650 -4.917 26.414 -3.435 1.00 22.03 H new ATOM 0 HH12 ARG A 650 -6.535 27.089 -3.656 1.00 22.03 H new ATOM 0 HH21 ARG A 650 -8.178 24.379 -2.095 1.00 73.11 H new ATOM 0 HH22 ARG A 650 -8.377 25.939 -2.899 1.00 73.11 H new ATOM 1008 N LYS A 651 0.876 21.344 -0.540 1.00 22.25 N ATOM 1009 CA LYS A 651 2.212 20.878 -0.895 1.00 61.51 C ATOM 1010 C LYS A 651 2.190 19.390 -0.966 1.00 24.00 C ATOM 1011 O LYS A 651 1.313 18.762 -0.401 1.00 35.14 O ATOM 1012 CB LYS A 651 3.260 21.289 0.134 1.00 23.33 C ATOM 1013 CG LYS A 651 3.513 22.761 0.230 1.00 33.24 C ATOM 1014 CD LYS A 651 4.506 23.060 1.343 1.00 22.32 C ATOM 1015 CE LYS A 651 4.801 24.543 1.473 1.00 63.30 C ATOM 1016 NZ LYS A 651 5.743 24.815 2.583 1.00 31.32 N ATOM 0 H LYS A 651 0.677 21.332 0.460 1.00 22.25 H new ATOM 0 HA LYS A 651 2.479 21.328 -1.851 1.00 61.51 H new ATOM 0 HB2 LYS A 651 2.948 20.925 1.113 1.00 23.33 H new ATOM 0 HB3 LYS A 651 4.199 20.790 -0.107 1.00 23.33 H new ATOM 0 HG2 LYS A 651 3.899 23.132 -0.719 1.00 33.24 H new ATOM 0 HG3 LYS A 651 2.576 23.285 0.420 1.00 33.24 H new ATOM 0 HD2 LYS A 651 4.111 22.687 2.288 1.00 22.32 H new ATOM 0 HD3 LYS A 651 5.435 22.523 1.151 1.00 22.32 H new ATOM 0 HE2 LYS A 651 5.222 24.914 0.539 1.00 63.30 H new ATOM 0 HE3 LYS A 651 3.871 25.086 1.642 1.00 63.30 H new ATOM 0 HZ1 LYS A 651 5.922 25.838 2.643 1.00 31.32 H new ATOM 0 HZ2 LYS A 651 5.330 24.483 3.478 1.00 31.32 H new ATOM 0 HZ3 LYS A 651 6.639 24.316 2.408 1.00 31.32 H new ATOM 1030 N SER A 652 3.133 18.834 -1.619 1.00 62.24 N ATOM 1031 CA SER A 652 3.210 17.402 -1.720 1.00 35.23 C ATOM 1032 C SER A 652 4.585 16.902 -1.326 1.00 14.15 C ATOM 1033 O SER A 652 5.607 17.551 -1.616 1.00 4.13 O ATOM 1034 CB SER A 652 2.791 16.933 -3.118 1.00 13.42 C ATOM 1035 OG SER A 652 3.517 17.610 -4.138 1.00 31.13 O ATOM 0 H SER A 652 3.877 19.339 -2.101 1.00 62.24 H new ATOM 0 HA SER A 652 2.505 16.964 -1.013 1.00 35.23 H new ATOM 0 HB2 SER A 652 2.955 15.859 -3.206 1.00 13.42 H new ATOM 0 HB3 SER A 652 1.723 17.105 -3.255 1.00 13.42 H new ATOM 0 HG SER A 652 3.377 17.156 -4.995 1.00 31.13 H new ATOM 1041 N TRP A 653 4.616 15.781 -0.654 1.00 60.35 N ATOM 1042 CA TRP A 653 5.847 15.202 -0.173 1.00 33.45 C ATOM 1043 C TRP A 653 5.827 13.718 -0.409 1.00 3.11 C ATOM 1044 O TRP A 653 4.777 13.071 -0.330 1.00 22.45 O ATOM 1045 CB TRP A 653 6.024 15.436 1.328 1.00 74.25 C ATOM 1046 CG TRP A 653 6.045 16.865 1.803 1.00 20.31 C ATOM 1047 CD1 TRP A 653 7.110 17.714 1.814 1.00 11.23 C ATOM 1048 CD2 TRP A 653 4.953 17.588 2.380 1.00 75.43 C ATOM 1049 NE1 TRP A 653 6.743 18.920 2.360 1.00 30.51 N ATOM 1050 CE2 TRP A 653 5.421 18.867 2.711 1.00 41.52 C ATOM 1051 CE3 TRP A 653 3.627 17.276 2.642 1.00 5.32 C ATOM 1052 CZ2 TRP A 653 4.599 19.831 3.298 1.00 41.14 C ATOM 1053 CZ3 TRP A 653 2.818 18.222 3.214 1.00 21.33 C ATOM 1054 CH2 TRP A 653 3.302 19.487 3.538 1.00 71.32 C ATOM 0 H TRP A 653 3.783 15.239 -0.423 1.00 60.35 H new ATOM 0 HA TRP A 653 6.668 15.676 -0.710 1.00 33.45 H new ATOM 0 HB2 TRP A 653 5.218 14.919 1.848 1.00 74.25 H new ATOM 0 HB3 TRP A 653 6.957 14.964 1.636 1.00 74.25 H new ATOM 0 HD1 TRP A 653 8.097 17.474 1.448 1.00 11.23 H new ATOM 0 HE1 TRP A 653 7.357 19.725 2.484 1.00 30.51 H new ATOM 0 HE3 TRP A 653 3.237 16.299 2.398 1.00 5.32 H new ATOM 0 HZ2 TRP A 653 4.976 20.811 3.552 1.00 41.14 H new ATOM 0 HZ3 TRP A 653 1.785 17.982 3.418 1.00 21.33 H new ATOM 0 HH2 TRP A 653 2.637 20.209 3.988 1.00 71.32 H new ATOM 1065 N ASN A 654 6.973 13.185 -0.662 1.00 61.20 N ATOM 1066 CA ASN A 654 7.128 11.786 -0.916 1.00 53.22 C ATOM 1067 C ASN A 654 7.330 11.058 0.383 1.00 12.45 C ATOM 1068 O ASN A 654 8.071 11.523 1.262 1.00 63.14 O ATOM 1069 CB ASN A 654 8.326 11.547 -1.828 1.00 31.24 C ATOM 1070 CG ASN A 654 8.189 12.178 -3.202 1.00 33.41 C ATOM 1071 OD1 ASN A 654 7.497 13.175 -3.397 1.00 31.21 O ATOM 1072 ND2 ASN A 654 8.873 11.639 -4.139 1.00 30.25 N ATOM 0 H ASN A 654 7.845 13.713 -0.700 1.00 61.20 H new ATOM 0 HA ASN A 654 6.229 11.413 -1.407 1.00 53.22 H new ATOM 0 HB2 ASN A 654 9.221 11.940 -1.346 1.00 31.24 H new ATOM 0 HB3 ASN A 654 8.473 10.473 -1.945 1.00 31.24 H new ATOM 0 HD21 ASN A 654 8.853 12.036 -5.078 1.00 30.25 H new ATOM 0 HD22 ASN A 654 9.438 10.812 -3.947 1.00 30.25 H new ATOM 1078 N LEU A 655 6.665 9.951 0.523 1.00 12.45 N ATOM 1079 CA LEU A 655 6.762 9.115 1.698 1.00 61.35 C ATOM 1080 C LEU A 655 7.766 8.030 1.468 1.00 73.15 C ATOM 1081 O LEU A 655 8.297 7.452 2.401 1.00 73.42 O ATOM 1082 CB LEU A 655 5.403 8.521 2.078 1.00 31.21 C ATOM 1083 CG LEU A 655 4.323 9.500 2.580 1.00 1.14 C ATOM 1084 CD1 LEU A 655 3.922 10.444 1.544 1.00 75.13 C ATOM 1085 CD2 LEU A 655 3.117 8.785 3.140 1.00 45.14 C ATOM 0 H LEU A 655 6.026 9.590 -0.185 1.00 12.45 H new ATOM 0 HA LEU A 655 7.091 9.735 2.532 1.00 61.35 H new ATOM 0 HB2 LEU A 655 5.007 7.998 1.207 1.00 31.21 H new ATOM 0 HB3 LEU A 655 5.566 7.772 2.852 1.00 31.21 H new ATOM 0 HG LEU A 655 4.780 10.064 3.394 1.00 1.14 H new ATOM 0 HD11 LEU A 655 3.160 11.116 1.939 1.00 75.13 H new ATOM 0 HD12 LEU A 655 4.788 11.025 1.226 1.00 75.13 H new ATOM 0 HD13 LEU A 655 3.518 9.898 0.691 1.00 75.13 H new ATOM 0 HD21 LEU A 655 2.385 9.518 3.480 1.00 45.14 H new ATOM 0 HD22 LEU A 655 2.672 8.160 2.365 1.00 45.14 H new ATOM 0 HD23 LEU A 655 3.422 8.160 3.979 1.00 45.14 H new ATOM 1093 N GLY A 656 8.022 7.772 0.225 1.00 54.12 N ATOM 1094 CA GLY A 656 8.992 6.814 -0.142 1.00 21.23 C ATOM 1095 C GLY A 656 9.027 6.643 -1.618 1.00 54.24 C ATOM 1096 O GLY A 656 7.993 6.814 -2.303 1.00 12.14 O ATOM 0 H GLY A 656 7.557 8.227 -0.561 1.00 54.12 H new ATOM 0 HA2 GLY A 656 9.973 7.126 0.217 1.00 21.23 H new ATOM 0 HA3 GLY A 656 8.767 5.860 0.335 1.00 21.23 H new ATOM 1100 N ARG A 657 10.178 6.337 -2.128 1.00 53.52 N ATOM 1101 CA ARG A 657 10.347 6.148 -3.536 1.00 64.33 C ATOM 1102 C ARG A 657 9.772 4.801 -3.941 1.00 4.34 C ATOM 1103 O ARG A 657 9.729 3.882 -3.112 1.00 44.03 O ATOM 1104 CB ARG A 657 11.828 6.364 -3.972 1.00 25.31 C ATOM 1105 CG ARG A 657 12.891 5.446 -3.352 1.00 34.43 C ATOM 1106 CD ARG A 657 12.812 4.033 -3.877 1.00 73.41 C ATOM 1107 NE ARG A 657 13.838 3.183 -3.316 1.00 52.42 N ATOM 1108 CZ ARG A 657 13.978 1.894 -3.582 1.00 30.33 C ATOM 1109 NH1 ARG A 657 13.128 1.279 -4.411 1.00 34.04 N ATOM 1110 NH2 ARG A 657 14.972 1.223 -3.028 1.00 41.21 N ATOM 0 H ARG A 657 11.029 6.211 -1.580 1.00 53.52 H new ATOM 0 HA ARG A 657 9.786 6.910 -4.078 1.00 64.33 H new ATOM 0 HB2 ARG A 657 11.879 6.254 -5.055 1.00 25.31 H new ATOM 0 HB3 ARG A 657 12.099 7.395 -3.743 1.00 25.31 H new ATOM 0 HG2 ARG A 657 13.882 5.852 -3.558 1.00 34.43 H new ATOM 0 HG3 ARG A 657 12.770 5.435 -2.269 1.00 34.43 H new ATOM 0 HD2 ARG A 657 11.832 3.616 -3.647 1.00 73.41 H new ATOM 0 HD3 ARG A 657 12.906 4.045 -4.963 1.00 73.41 H new ATOM 0 HE ARG A 657 14.502 3.607 -2.668 1.00 52.42 H new ATOM 0 HH11 ARG A 657 12.367 1.803 -4.842 1.00 34.04 H new ATOM 0 HH12 ARG A 657 13.241 0.285 -4.612 1.00 34.04 H new ATOM 0 HH21 ARG A 657 15.622 1.699 -2.402 1.00 41.21 H new ATOM 0 HH22 ARG A 657 15.089 0.229 -3.226 1.00 41.21 H new ATOM 1122 N SER A 658 9.287 4.713 -5.170 1.00 41.23 N ATOM 1123 CA SER A 658 8.674 3.504 -5.702 1.00 14.24 C ATOM 1124 C SER A 658 9.482 2.252 -5.391 1.00 53.54 C ATOM 1125 O SER A 658 10.713 2.206 -5.565 1.00 45.13 O ATOM 1126 CB SER A 658 8.480 3.662 -7.167 1.00 75.13 C ATOM 1127 OG SER A 658 7.675 4.785 -7.422 1.00 74.55 O ATOM 0 H SER A 658 9.308 5.487 -5.834 1.00 41.23 H new ATOM 0 HA SER A 658 7.709 3.370 -5.213 1.00 14.24 H new ATOM 0 HB2 SER A 658 9.445 3.775 -7.661 1.00 75.13 H new ATOM 0 HB3 SER A 658 8.014 2.768 -7.580 1.00 75.13 H new ATOM 0 HG SER A 658 7.920 5.173 -8.288 1.00 74.55 H new ATOM 1133 N ASN A 659 8.783 1.263 -4.924 1.00 2.52 N ATOM 1134 CA ASN A 659 9.351 0.050 -4.431 1.00 45.55 C ATOM 1135 C ASN A 659 8.267 -1.002 -4.398 1.00 12.42 C ATOM 1136 O ASN A 659 7.099 -0.664 -4.370 1.00 3.23 O ATOM 1137 CB ASN A 659 9.927 0.361 -3.039 1.00 4.23 C ATOM 1138 CG ASN A 659 10.235 -0.817 -2.169 1.00 10.21 C ATOM 1139 OD1 ASN A 659 11.304 -1.410 -2.235 1.00 35.41 O ATOM 1140 ND2 ASN A 659 9.305 -1.124 -1.308 1.00 34.12 N ATOM 0 H ASN A 659 7.764 1.281 -4.875 1.00 2.52 H new ATOM 0 HA ASN A 659 10.153 -0.335 -5.060 1.00 45.55 H new ATOM 0 HB2 ASN A 659 10.842 0.939 -3.169 1.00 4.23 H new ATOM 0 HB3 ASN A 659 9.219 1.000 -2.511 1.00 4.23 H new ATOM 0 HD21 ASN A 659 9.452 -1.889 -0.650 1.00 34.12 H new ATOM 0 HD22 ASN A 659 8.431 -0.599 -1.293 1.00 34.12 H new ATOM 1146 N ALA A 660 8.637 -2.248 -4.464 1.00 1.30 N ATOM 1147 CA ALA A 660 7.668 -3.325 -4.476 1.00 32.34 C ATOM 1148 C ALA A 660 8.005 -4.383 -3.433 1.00 45.54 C ATOM 1149 O ALA A 660 7.470 -5.503 -3.465 1.00 54.13 O ATOM 1150 CB ALA A 660 7.610 -3.940 -5.868 1.00 64.43 C ATOM 0 H ALA A 660 9.609 -2.553 -4.511 1.00 1.30 H new ATOM 0 HA ALA A 660 6.690 -2.917 -4.222 1.00 32.34 H new ATOM 0 HB1 ALA A 660 6.881 -4.750 -5.878 1.00 64.43 H new ATOM 0 HB2 ALA A 660 7.316 -3.179 -6.590 1.00 64.43 H new ATOM 0 HB3 ALA A 660 8.592 -4.332 -6.134 1.00 64.43 H new ATOM 1156 N LYS A 661 8.892 -4.048 -2.518 1.00 63.21 N ATOM 1157 CA LYS A 661 9.244 -4.959 -1.455 1.00 13.14 C ATOM 1158 C LYS A 661 8.162 -5.034 -0.413 1.00 21.40 C ATOM 1159 O LYS A 661 7.938 -4.078 0.338 1.00 62.22 O ATOM 1160 CB LYS A 661 10.550 -4.569 -0.791 1.00 52.52 C ATOM 1161 CG LYS A 661 11.763 -4.701 -1.664 1.00 53.31 C ATOM 1162 CD LYS A 661 12.988 -4.260 -0.913 1.00 54.04 C ATOM 1163 CE LYS A 661 14.253 -4.487 -1.714 1.00 73.21 C ATOM 1164 NZ LYS A 661 14.449 -5.909 -2.043 1.00 15.44 N ATOM 0 H LYS A 661 9.380 -3.153 -2.491 1.00 63.21 H new ATOM 0 HA LYS A 661 9.363 -5.939 -1.916 1.00 13.14 H new ATOM 0 HB2 LYS A 661 10.475 -3.536 -0.452 1.00 52.52 H new ATOM 0 HB3 LYS A 661 10.689 -5.187 0.096 1.00 52.52 H new ATOM 0 HG2 LYS A 661 11.878 -5.736 -1.987 1.00 53.31 H new ATOM 0 HG3 LYS A 661 11.641 -4.098 -2.564 1.00 53.31 H new ATOM 0 HD2 LYS A 661 12.900 -3.202 -0.665 1.00 54.04 H new ATOM 0 HD3 LYS A 661 13.052 -4.805 0.029 1.00 54.04 H new ATOM 0 HE2 LYS A 661 14.209 -3.905 -2.634 1.00 73.21 H new ATOM 0 HE3 LYS A 661 15.111 -4.124 -1.148 1.00 73.21 H new ATOM 0 HZ1 LYS A 661 15.465 -6.105 -2.146 1.00 15.44 H new ATOM 0 HZ2 LYS A 661 14.058 -6.499 -1.281 1.00 15.44 H new ATOM 0 HZ3 LYS A 661 13.962 -6.129 -2.935 1.00 15.44 H new ATOM 1178 N LEU A 662 7.483 -6.149 -0.380 1.00 12.34 N ATOM 1179 CA LEU A 662 6.506 -6.382 0.635 1.00 52.14 C ATOM 1180 C LEU A 662 7.209 -6.933 1.845 1.00 22.10 C ATOM 1181 O LEU A 662 8.201 -7.665 1.715 1.00 3.52 O ATOM 1182 CB LEU A 662 5.443 -7.366 0.172 1.00 21.34 C ATOM 1183 CG LEU A 662 4.648 -7.002 -1.067 1.00 0.23 C ATOM 1184 CD1 LEU A 662 3.549 -7.992 -1.267 1.00 20.42 C ATOM 1185 CD2 LEU A 662 4.086 -5.609 -0.980 1.00 42.32 C ATOM 0 H LEU A 662 7.593 -6.910 -1.050 1.00 12.34 H new ATOM 0 HA LEU A 662 6.006 -5.442 0.868 1.00 52.14 H new ATOM 0 HB2 LEU A 662 5.928 -8.325 -0.009 1.00 21.34 H new ATOM 0 HB3 LEU A 662 4.740 -7.513 0.992 1.00 21.34 H new ATOM 0 HG LEU A 662 5.324 -7.028 -1.922 1.00 0.23 H new ATOM 0 HD11 LEU A 662 2.979 -7.728 -2.158 1.00 20.42 H new ATOM 0 HD12 LEU A 662 3.974 -8.988 -1.390 1.00 20.42 H new ATOM 0 HD13 LEU A 662 2.890 -7.984 -0.399 1.00 20.42 H new ATOM 0 HD21 LEU A 662 3.523 -5.386 -1.887 1.00 42.32 H new ATOM 0 HD22 LEU A 662 3.425 -5.536 -0.116 1.00 42.32 H new ATOM 0 HD23 LEU A 662 4.902 -4.894 -0.874 1.00 42.32 H new ATOM 1193 N SER A 663 6.728 -6.591 2.989 1.00 23.33 N ATOM 1194 CA SER A 663 7.318 -7.004 4.219 1.00 70.24 C ATOM 1195 C SER A 663 6.319 -7.848 4.998 1.00 64.51 C ATOM 1196 O SER A 663 5.126 -7.767 4.759 1.00 25.03 O ATOM 1197 CB SER A 663 7.696 -5.756 5.012 1.00 23.15 C ATOM 1198 OG SER A 663 8.568 -4.920 4.255 1.00 62.10 O ATOM 0 H SER A 663 5.900 -6.007 3.101 1.00 23.33 H new ATOM 0 HA SER A 663 8.210 -7.604 4.036 1.00 70.24 H new ATOM 0 HB2 SER A 663 6.796 -5.203 5.279 1.00 23.15 H new ATOM 0 HB3 SER A 663 8.181 -6.045 5.944 1.00 23.15 H new ATOM 0 HG SER A 663 9.403 -4.784 4.750 1.00 62.10 H new ATOM 1204 N TYR A 664 6.796 -8.678 5.874 1.00 44.31 N ATOM 1205 CA TYR A 664 5.927 -9.460 6.712 1.00 2.00 C ATOM 1206 C TYR A 664 6.432 -9.345 8.117 1.00 73.04 C ATOM 1207 O TYR A 664 7.618 -9.561 8.356 1.00 11.44 O ATOM 1208 CB TYR A 664 5.959 -10.915 6.279 1.00 64.23 C ATOM 1209 CG TYR A 664 4.806 -11.759 6.770 1.00 34.43 C ATOM 1210 CD1 TYR A 664 3.598 -11.748 6.082 1.00 65.12 C ATOM 1211 CD2 TYR A 664 4.920 -12.589 7.878 1.00 21.43 C ATOM 1212 CE1 TYR A 664 2.547 -12.523 6.486 1.00 15.43 C ATOM 1213 CE2 TYR A 664 3.872 -13.380 8.278 1.00 62.50 C ATOM 1214 CZ TYR A 664 2.686 -13.343 7.580 1.00 14.10 C ATOM 1215 OH TYR A 664 1.634 -14.141 7.978 1.00 55.12 O ATOM 0 H TYR A 664 7.792 -8.835 6.031 1.00 44.31 H new ATOM 0 HA TYR A 664 4.901 -9.100 6.637 1.00 2.00 H new ATOM 0 HB2 TYR A 664 5.978 -10.953 5.190 1.00 64.23 H new ATOM 0 HB3 TYR A 664 6.890 -11.361 6.629 1.00 64.23 H new ATOM 0 HD1 TYR A 664 3.488 -11.116 5.213 1.00 65.12 H new ATOM 0 HD2 TYR A 664 5.846 -12.612 8.433 1.00 21.43 H new ATOM 0 HE1 TYR A 664 1.611 -12.491 5.948 1.00 15.43 H new ATOM 0 HE2 TYR A 664 3.977 -14.028 9.136 1.00 62.50 H new ATOM 0 HH TYR A 664 1.505 -14.862 7.327 1.00 55.12 H new ATOM 1225 N TYR A 665 5.581 -8.982 9.023 1.00 64.23 N ATOM 1226 CA TYR A 665 5.976 -8.851 10.398 1.00 12.41 C ATOM 1227 C TYR A 665 5.104 -9.697 11.239 1.00 52.52 C ATOM 1228 O TYR A 665 3.885 -9.454 11.307 1.00 65.32 O ATOM 1229 CB TYR A 665 5.871 -7.403 10.872 1.00 4.35 C ATOM 1230 CG TYR A 665 6.353 -7.157 12.301 1.00 32.10 C ATOM 1231 CD1 TYR A 665 7.702 -7.007 12.577 1.00 53.44 C ATOM 1232 CD2 TYR A 665 5.454 -7.057 13.363 1.00 71.44 C ATOM 1233 CE1 TYR A 665 8.152 -6.764 13.859 1.00 63.15 C ATOM 1234 CE2 TYR A 665 5.899 -6.818 14.655 1.00 22.10 C ATOM 1235 CZ TYR A 665 7.251 -6.672 14.896 1.00 3.23 C ATOM 1236 OH TYR A 665 7.710 -6.421 16.186 1.00 11.21 O ATOM 0 H TYR A 665 4.601 -8.769 8.838 1.00 64.23 H new ATOM 0 HA TYR A 665 7.015 -9.168 10.484 1.00 12.41 H new ATOM 0 HB2 TYR A 665 6.448 -6.772 10.196 1.00 4.35 H new ATOM 0 HB3 TYR A 665 4.831 -7.085 10.795 1.00 4.35 H new ATOM 0 HD1 TYR A 665 8.417 -7.082 11.771 1.00 53.44 H new ATOM 0 HD2 TYR A 665 4.396 -7.167 13.177 1.00 71.44 H new ATOM 0 HE1 TYR A 665 9.209 -6.646 14.048 1.00 63.15 H new ATOM 0 HE2 TYR A 665 5.192 -6.746 15.468 1.00 22.10 H new ATOM 0 HH TYR A 665 6.949 -6.385 16.803 1.00 11.21 H new ATOM 1246 N ASP A 666 5.703 -10.716 11.834 1.00 14.01 N ATOM 1247 CA ASP A 666 5.060 -11.594 12.808 1.00 1.51 C ATOM 1248 C ASP A 666 4.031 -12.510 12.149 1.00 61.54 C ATOM 1249 O ASP A 666 4.207 -13.726 12.099 1.00 31.41 O ATOM 1250 CB ASP A 666 4.444 -10.769 13.944 1.00 24.24 C ATOM 1251 CG ASP A 666 3.926 -11.606 15.059 1.00 15.12 C ATOM 1252 OD1 ASP A 666 4.710 -11.919 15.972 1.00 62.43 O ATOM 1253 OD2 ASP A 666 2.725 -11.932 15.068 1.00 63.32 O ATOM 0 H ASP A 666 6.675 -10.965 11.651 1.00 14.01 H new ATOM 0 HA ASP A 666 5.824 -12.242 13.238 1.00 1.51 H new ATOM 0 HB2 ASP A 666 5.194 -10.080 14.333 1.00 24.24 H new ATOM 0 HB3 ASP A 666 3.631 -10.163 13.545 1.00 24.24 H new ATOM 1258 N GLY A 667 2.982 -11.925 11.649 1.00 31.10 N ATOM 1259 CA GLY A 667 1.971 -12.659 10.957 1.00 41.11 C ATOM 1260 C GLY A 667 1.075 -11.748 10.165 1.00 32.14 C ATOM 1261 O GLY A 667 -0.059 -12.091 9.840 1.00 23.42 O ATOM 0 H GLY A 667 2.806 -10.922 11.711 1.00 31.10 H new ATOM 0 HA2 GLY A 667 2.438 -13.383 10.289 1.00 41.11 H new ATOM 0 HA3 GLY A 667 1.375 -13.224 11.674 1.00 41.11 H new ATOM 1265 N MET A 668 1.589 -10.581 9.843 1.00 43.21 N ATOM 1266 CA MET A 668 0.850 -9.598 9.087 1.00 62.32 C ATOM 1267 C MET A 668 1.711 -9.110 7.949 1.00 64.44 C ATOM 1268 O MET A 668 2.934 -8.982 8.104 1.00 32.23 O ATOM 1269 CB MET A 668 0.481 -8.405 9.978 1.00 73.04 C ATOM 1270 CG MET A 668 -0.375 -8.754 11.187 1.00 45.45 C ATOM 1271 SD MET A 668 -0.727 -7.328 12.240 1.00 14.23 S ATOM 1272 CE MET A 668 0.927 -6.829 12.724 1.00 71.44 C ATOM 0 H MET A 668 2.532 -10.288 10.099 1.00 43.21 H new ATOM 0 HA MET A 668 -0.064 -10.054 8.707 1.00 62.32 H new ATOM 0 HB2 MET A 668 1.399 -7.931 10.325 1.00 73.04 H new ATOM 0 HB3 MET A 668 -0.050 -7.669 9.374 1.00 73.04 H new ATOM 0 HG2 MET A 668 -1.315 -9.188 10.846 1.00 45.45 H new ATOM 0 HG3 MET A 668 0.133 -9.517 11.777 1.00 45.45 H new ATOM 0 HE1 MET A 668 0.875 -6.231 13.634 1.00 71.44 H new ATOM 0 HE2 MET A 668 1.536 -7.715 12.906 1.00 71.44 H new ATOM 0 HE3 MET A 668 1.377 -6.238 11.926 1.00 71.44 H new ATOM 1282 N ILE A 669 1.104 -8.861 6.813 1.00 5.03 N ATOM 1283 CA ILE A 669 1.814 -8.292 5.684 1.00 15.14 C ATOM 1284 C ILE A 669 1.983 -6.792 5.924 1.00 14.30 C ATOM 1285 O ILE A 669 1.099 -6.149 6.478 1.00 60.23 O ATOM 1286 CB ILE A 669 1.089 -8.513 4.288 1.00 13.42 C ATOM 1287 CG1 ILE A 669 1.082 -9.969 3.802 1.00 70.13 C ATOM 1288 CG2 ILE A 669 1.653 -7.622 3.185 1.00 15.33 C ATOM 1289 CD1 ILE A 669 0.125 -10.910 4.486 1.00 20.33 C ATOM 0 H ILE A 669 0.115 -9.043 6.642 1.00 5.03 H new ATOM 0 HA ILE A 669 2.772 -8.808 5.619 1.00 15.14 H new ATOM 0 HB ILE A 669 0.056 -8.229 4.490 1.00 13.42 H new ATOM 0 HG12 ILE A 669 0.855 -9.970 2.736 1.00 70.13 H new ATOM 0 HG13 ILE A 669 2.090 -10.369 3.914 1.00 70.13 H new ATOM 0 HG21 ILE A 669 1.121 -7.815 2.254 1.00 15.33 H new ATOM 0 HG22 ILE A 669 1.529 -6.576 3.464 1.00 15.33 H new ATOM 0 HG23 ILE A 669 2.713 -7.838 3.049 1.00 15.33 H new ATOM 0 HD11 ILE A 669 0.219 -11.905 4.050 1.00 20.33 H new ATOM 0 HD12 ILE A 669 0.358 -10.956 5.550 1.00 20.33 H new ATOM 0 HD13 ILE A 669 -0.896 -10.551 4.353 1.00 20.33 H new ATOM 1296 N GLN A 670 3.116 -6.260 5.582 1.00 73.34 N ATOM 1297 CA GLN A 670 3.322 -4.848 5.667 1.00 40.31 C ATOM 1298 C GLN A 670 3.911 -4.364 4.348 1.00 10.13 C ATOM 1299 O GLN A 670 4.443 -5.153 3.570 1.00 42.24 O ATOM 1300 CB GLN A 670 4.240 -4.440 6.834 1.00 34.52 C ATOM 1301 CG GLN A 670 3.874 -5.017 8.194 1.00 22.41 C ATOM 1302 CD GLN A 670 4.588 -4.305 9.331 1.00 73.32 C ATOM 1303 OE1 GLN A 670 5.715 -4.640 9.698 1.00 61.33 O ATOM 1304 NE2 GLN A 670 3.918 -3.353 9.931 1.00 4.00 N ATOM 0 H GLN A 670 3.918 -6.788 5.239 1.00 73.34 H new ATOM 0 HA GLN A 670 2.356 -4.381 5.860 1.00 40.31 H new ATOM 0 HB2 GLN A 670 5.259 -4.743 6.594 1.00 34.52 H new ATOM 0 HB3 GLN A 670 4.240 -3.353 6.909 1.00 34.52 H new ATOM 0 HG2 GLN A 670 2.796 -4.942 8.340 1.00 22.41 H new ATOM 0 HG3 GLN A 670 4.126 -6.077 8.217 1.00 22.41 H new ATOM 0 HE21 GLN A 670 2.986 -3.100 9.602 1.00 4.00 H new ATOM 0 HE22 GLN A 670 4.328 -2.865 10.727 1.00 4.00 H new ATOM 1312 N LEU A 671 3.822 -3.097 4.103 1.00 34.15 N ATOM 1313 CA LEU A 671 4.338 -2.509 2.879 1.00 22.21 C ATOM 1314 C LEU A 671 5.234 -1.362 3.248 1.00 35.31 C ATOM 1315 O LEU A 671 4.786 -0.377 3.832 1.00 41.43 O ATOM 1316 CB LEU A 671 3.187 -2.071 1.962 1.00 70.55 C ATOM 1317 CG LEU A 671 3.545 -1.360 0.640 1.00 13.33 C ATOM 1318 CD1 LEU A 671 4.435 -2.211 -0.248 1.00 33.45 C ATOM 1319 CD2 LEU A 671 2.282 -1.006 -0.106 1.00 25.22 C ATOM 0 H LEU A 671 3.391 -2.426 4.739 1.00 34.15 H new ATOM 0 HA LEU A 671 4.917 -3.243 2.319 1.00 22.21 H new ATOM 0 HB2 LEU A 671 2.600 -2.956 1.717 1.00 70.55 H new ATOM 0 HB3 LEU A 671 2.539 -1.407 2.534 1.00 70.55 H new ATOM 0 HG LEU A 671 4.099 -0.457 0.896 1.00 13.33 H new ATOM 0 HD11 LEU A 671 4.659 -1.668 -1.166 1.00 33.45 H new ATOM 0 HD12 LEU A 671 5.364 -2.436 0.276 1.00 33.45 H new ATOM 0 HD13 LEU A 671 3.922 -3.141 -0.493 1.00 33.45 H new ATOM 0 HD21 LEU A 671 2.539 -0.504 -1.039 1.00 25.22 H new ATOM 0 HD22 LEU A 671 1.722 -1.915 -0.325 1.00 25.22 H new ATOM 0 HD23 LEU A 671 1.671 -0.343 0.507 1.00 25.22 H new ATOM 1327 N THR A 672 6.477 -1.506 2.931 1.00 53.55 N ATOM 1328 CA THR A 672 7.486 -0.579 3.346 1.00 44.30 C ATOM 1329 C THR A 672 7.931 0.333 2.195 1.00 34.35 C ATOM 1330 O THR A 672 8.408 -0.139 1.168 1.00 53.12 O ATOM 1331 CB THR A 672 8.721 -1.359 3.885 1.00 41.02 C ATOM 1332 OG1 THR A 672 8.323 -2.251 4.948 1.00 55.32 O ATOM 1333 CG2 THR A 672 9.773 -0.404 4.412 1.00 35.03 C ATOM 0 H THR A 672 6.830 -2.280 2.369 1.00 53.55 H new ATOM 0 HA THR A 672 7.059 0.047 4.129 1.00 44.30 H new ATOM 0 HB THR A 672 9.140 -1.933 3.059 1.00 41.02 H new ATOM 0 HG1 THR A 672 8.442 -3.179 4.658 1.00 55.32 H new ATOM 0 HG21 THR A 672 10.626 -0.972 4.783 1.00 35.03 H new ATOM 0 HG22 THR A 672 10.099 0.258 3.609 1.00 35.03 H new ATOM 0 HG23 THR A 672 9.352 0.190 5.223 1.00 35.03 H new ATOM 1339 N TYR A 673 7.760 1.615 2.377 1.00 72.41 N ATOM 1340 CA TYR A 673 8.262 2.612 1.459 1.00 11.15 C ATOM 1341 C TYR A 673 9.210 3.511 2.158 1.00 60.33 C ATOM 1342 O TYR A 673 8.853 4.154 3.136 1.00 71.14 O ATOM 1343 CB TYR A 673 7.160 3.432 0.817 1.00 74.03 C ATOM 1344 CG TYR A 673 6.423 2.704 -0.236 1.00 54.11 C ATOM 1345 CD1 TYR A 673 7.028 2.461 -1.450 1.00 13.30 C ATOM 1346 CD2 TYR A 673 5.135 2.271 -0.040 1.00 34.25 C ATOM 1347 CE1 TYR A 673 6.378 1.805 -2.443 1.00 52.13 C ATOM 1348 CE2 TYR A 673 4.466 1.608 -1.029 1.00 11.22 C ATOM 1349 CZ TYR A 673 5.098 1.376 -2.244 1.00 20.42 C ATOM 1350 OH TYR A 673 4.460 0.693 -3.241 1.00 22.05 O ATOM 0 H TYR A 673 7.262 2.005 3.177 1.00 72.41 H new ATOM 0 HA TYR A 673 8.771 2.076 0.658 1.00 11.15 H new ATOM 0 HB2 TYR A 673 6.458 3.750 1.588 1.00 74.03 H new ATOM 0 HB3 TYR A 673 7.593 4.336 0.388 1.00 74.03 H new ATOM 0 HD1 TYR A 673 8.040 2.800 -1.614 1.00 13.30 H new ATOM 0 HD2 TYR A 673 4.646 2.456 0.905 1.00 34.25 H new ATOM 0 HE1 TYR A 673 6.871 1.623 -3.387 1.00 52.13 H new ATOM 0 HE2 TYR A 673 3.454 1.267 -0.868 1.00 11.22 H new ATOM 0 HH TYR A 673 3.580 0.399 -2.925 1.00 22.05 H new ATOM 1360 N ARG A 674 10.413 3.545 1.694 1.00 31.31 N ATOM 1361 CA ARG A 674 11.408 4.386 2.302 1.00 54.15 C ATOM 1362 C ARG A 674 12.059 5.314 1.289 1.00 0.20 C ATOM 1363 O ARG A 674 11.792 5.227 0.075 1.00 31.44 O ATOM 1364 CB ARG A 674 12.458 3.551 3.042 1.00 34.43 C ATOM 1365 CG ARG A 674 11.888 2.723 4.180 1.00 35.04 C ATOM 1366 CD ARG A 674 12.957 1.906 4.877 1.00 5.45 C ATOM 1367 NE ARG A 674 12.388 1.076 5.940 1.00 73.21 N ATOM 1368 CZ ARG A 674 13.073 0.214 6.696 1.00 14.42 C ATOM 1369 NH1 ARG A 674 14.390 0.128 6.584 1.00 30.22 N ATOM 1370 NH2 ARG A 674 12.438 -0.539 7.586 1.00 22.24 N ATOM 0 H ARG A 674 10.739 3.002 0.895 1.00 31.31 H new ATOM 0 HA ARG A 674 10.899 5.013 3.034 1.00 54.15 H new ATOM 0 HB2 ARG A 674 12.948 2.886 2.331 1.00 34.43 H new ATOM 0 HB3 ARG A 674 13.226 4.216 3.437 1.00 34.43 H new ATOM 0 HG2 ARG A 674 11.407 3.382 4.902 1.00 35.04 H new ATOM 0 HG3 ARG A 674 11.117 2.057 3.793 1.00 35.04 H new ATOM 0 HD2 ARG A 674 13.464 1.271 4.150 1.00 5.45 H new ATOM 0 HD3 ARG A 674 13.710 2.573 5.298 1.00 5.45 H new ATOM 0 HE ARG A 674 11.387 1.163 6.118 1.00 73.21 H new ATOM 0 HH11 ARG A 674 14.885 0.722 5.918 1.00 30.22 H new ATOM 0 HH12 ARG A 674 14.909 -0.532 7.163 1.00 30.22 H new ATOM 0 HH21 ARG A 674 11.427 -0.459 7.693 1.00 22.24 H new ATOM 0 HH22 ARG A 674 12.961 -1.197 8.163 1.00 22.24 H new ATOM 1382 N ASP A 675 12.887 6.206 1.809 1.00 71.14 N ATOM 1383 CA ASP A 675 13.642 7.208 1.051 1.00 24.11 C ATOM 1384 C ASP A 675 12.704 8.212 0.375 1.00 63.11 C ATOM 1385 O ASP A 675 12.805 8.511 -0.820 1.00 22.24 O ATOM 1386 CB ASP A 675 14.624 6.571 0.050 1.00 34.54 C ATOM 1387 CG ASP A 675 15.633 7.575 -0.496 1.00 31.43 C ATOM 1388 OD1 ASP A 675 16.592 7.912 0.230 1.00 41.53 O ATOM 1389 OD2 ASP A 675 15.483 8.049 -1.642 1.00 75.30 O ATOM 0 H ASP A 675 13.063 6.259 2.812 1.00 71.14 H new ATOM 0 HA ASP A 675 14.253 7.758 1.767 1.00 24.11 H new ATOM 0 HB2 ASP A 675 15.156 5.754 0.538 1.00 34.54 H new ATOM 0 HB3 ASP A 675 14.064 6.137 -0.778 1.00 34.54 H new ATOM 1394 N GLY A 676 11.768 8.709 1.147 1.00 34.32 N ATOM 1395 CA GLY A 676 10.896 9.744 0.673 1.00 44.31 C ATOM 1396 C GLY A 676 11.545 11.109 0.802 1.00 73.13 C ATOM 1397 O GLY A 676 12.768 11.218 0.876 1.00 73.32 O ATOM 0 H GLY A 676 11.594 8.410 2.107 1.00 34.32 H new ATOM 0 HA2 GLY A 676 10.639 9.558 -0.370 1.00 44.31 H new ATOM 0 HA3 GLY A 676 9.965 9.726 1.239 1.00 44.31 H new ATOM 1401 N THR A 677 10.747 12.125 0.854 1.00 63.52 N ATOM 1402 CA THR A 677 11.233 13.474 0.983 1.00 35.11 C ATOM 1403 C THR A 677 11.684 13.726 2.432 1.00 64.42 C ATOM 1404 O THR A 677 10.996 13.323 3.375 1.00 43.43 O ATOM 1405 CB THR A 677 10.106 14.467 0.603 1.00 23.14 C ATOM 1406 OG1 THR A 677 9.665 14.198 -0.729 1.00 31.22 O ATOM 1407 CG2 THR A 677 10.561 15.917 0.702 1.00 35.35 C ATOM 0 H THR A 677 9.731 12.049 0.808 1.00 63.52 H new ATOM 0 HA THR A 677 12.082 13.620 0.315 1.00 35.11 H new ATOM 0 HB THR A 677 9.289 14.327 1.311 1.00 23.14 H new ATOM 0 HG1 THR A 677 9.203 14.985 -1.086 1.00 31.22 H new ATOM 0 HG21 THR A 677 9.738 16.576 0.426 1.00 35.35 H new ATOM 0 HG22 THR A 677 10.871 16.132 1.725 1.00 35.35 H new ATOM 0 HG23 THR A 677 11.400 16.082 0.026 1.00 35.35 H new ATOM 1413 N PRO A 678 12.865 14.317 2.632 1.00 32.00 N ATOM 1414 CA PRO A 678 13.319 14.693 3.952 1.00 1.23 C ATOM 1415 C PRO A 678 12.685 16.007 4.401 1.00 33.23 C ATOM 1416 O PRO A 678 12.639 17.002 3.645 1.00 32.50 O ATOM 1417 CB PRO A 678 14.832 14.811 3.813 1.00 71.11 C ATOM 1418 CG PRO A 678 15.083 15.074 2.360 1.00 45.34 C ATOM 1419 CD PRO A 678 13.863 14.629 1.588 1.00 33.34 C ATOM 0 HA PRO A 678 13.037 13.966 4.713 1.00 1.23 H new ATOM 0 HB2 PRO A 678 15.221 15.621 4.431 1.00 71.11 H new ATOM 0 HB3 PRO A 678 15.328 13.896 4.137 1.00 71.11 H new ATOM 0 HG2 PRO A 678 15.275 16.134 2.192 1.00 45.34 H new ATOM 0 HG3 PRO A 678 15.967 14.533 2.022 1.00 45.34 H new ATOM 0 HD2 PRO A 678 13.507 15.413 0.919 1.00 33.34 H new ATOM 0 HD3 PRO A 678 14.079 13.757 0.971 1.00 33.34 H new ATOM 1427 N TYR A 679 12.185 16.005 5.608 1.00 43.22 N ATOM 1428 CA TYR A 679 11.489 17.154 6.149 1.00 51.11 C ATOM 1429 C TYR A 679 12.401 17.860 7.137 1.00 21.24 C ATOM 1430 O TYR A 679 13.605 17.582 7.171 1.00 33.30 O ATOM 1431 CB TYR A 679 10.189 16.710 6.853 1.00 62.13 C ATOM 1432 CG TYR A 679 9.275 15.831 6.013 1.00 22.25 C ATOM 1433 CD1 TYR A 679 9.280 15.907 4.632 1.00 64.15 C ATOM 1434 CD2 TYR A 679 8.407 14.933 6.613 1.00 2.04 C ATOM 1435 CE1 TYR A 679 8.462 15.113 3.873 1.00 32.22 C ATOM 1436 CE2 TYR A 679 7.577 14.133 5.854 1.00 13.34 C ATOM 1437 CZ TYR A 679 7.611 14.227 4.481 1.00 22.13 C ATOM 1438 OH TYR A 679 6.796 13.415 3.709 1.00 33.14 O ATOM 0 H TYR A 679 12.246 15.212 6.247 1.00 43.22 H new ATOM 0 HA TYR A 679 11.225 17.834 5.339 1.00 51.11 H new ATOM 0 HB2 TYR A 679 10.452 16.171 7.763 1.00 62.13 H new ATOM 0 HB3 TYR A 679 9.636 17.599 7.157 1.00 62.13 H new ATOM 0 HD1 TYR A 679 9.942 16.606 4.143 1.00 64.15 H new ATOM 0 HD2 TYR A 679 8.380 14.858 7.690 1.00 2.04 H new ATOM 0 HE1 TYR A 679 8.487 15.185 2.796 1.00 32.22 H new ATOM 0 HE2 TYR A 679 6.905 13.437 6.334 1.00 13.34 H new ATOM 0 HH TYR A 679 7.340 12.939 3.047 1.00 33.14 H new ATOM 1448 N ASN A 680 11.846 18.763 7.931 1.00 34.33 N ATOM 1449 CA ASN A 680 12.636 19.485 8.919 1.00 60.41 C ATOM 1450 C ASN A 680 13.029 18.551 10.046 1.00 62.35 C ATOM 1451 O ASN A 680 12.244 18.295 10.971 1.00 52.03 O ATOM 1452 CB ASN A 680 11.900 20.723 9.473 1.00 73.02 C ATOM 1453 CG ASN A 680 11.594 21.769 8.418 1.00 11.14 C ATOM 1454 OD1 ASN A 680 12.404 22.674 8.158 1.00 75.32 O ATOM 1455 ND2 ASN A 680 10.432 21.676 7.817 1.00 4.23 N ATOM 0 H ASN A 680 10.857 19.013 7.912 1.00 34.33 H new ATOM 0 HA ASN A 680 13.533 19.850 8.418 1.00 60.41 H new ATOM 0 HB2 ASN A 680 10.967 20.403 9.937 1.00 73.02 H new ATOM 0 HB3 ASN A 680 12.507 21.176 10.257 1.00 73.02 H new ATOM 0 HD21 ASN A 680 10.168 22.361 7.109 1.00 4.23 H new ATOM 0 HD22 ASN A 680 9.793 20.918 8.057 1.00 4.23 H new ATOM 1461 N ASN A 681 14.208 18.013 9.931 1.00 32.02 N ATOM 1462 CA ASN A 681 14.760 17.079 10.877 1.00 21.31 C ATOM 1463 C ASN A 681 16.250 17.324 10.948 1.00 35.13 C ATOM 1464 O ASN A 681 16.902 17.464 9.917 1.00 24.11 O ATOM 1465 CB ASN A 681 14.461 15.635 10.420 1.00 60.25 C ATOM 1466 CG ASN A 681 15.055 14.568 11.327 1.00 41.12 C ATOM 1467 OD1 ASN A 681 16.180 14.139 11.128 1.00 44.42 O ATOM 1468 ND2 ASN A 681 14.304 14.114 12.292 1.00 71.21 N ATOM 0 H ASN A 681 14.834 18.217 9.152 1.00 32.02 H new ATOM 0 HA ASN A 681 14.316 17.214 11.863 1.00 21.31 H new ATOM 0 HB2 ASN A 681 13.381 15.496 10.370 1.00 60.25 H new ATOM 0 HB3 ASN A 681 14.847 15.496 9.410 1.00 60.25 H new ATOM 0 HD21 ASN A 681 14.653 13.379 12.907 1.00 71.21 H new ATOM 0 HD22 ASN A 681 13.368 14.494 12.432 1.00 71.21 H new ATOM 1474 N GLU A 682 16.778 17.372 12.147 1.00 25.30 N ATOM 1475 CA GLU A 682 18.183 17.709 12.392 1.00 71.34 C ATOM 1476 C GLU A 682 19.156 16.678 11.812 1.00 2.31 C ATOM 1477 O GLU A 682 20.286 17.013 11.433 1.00 43.41 O ATOM 1478 CB GLU A 682 18.415 17.881 13.878 1.00 53.42 C ATOM 1479 CG GLU A 682 17.542 18.951 14.498 1.00 33.12 C ATOM 1480 CD GLU A 682 17.777 19.105 15.966 1.00 24.12 C ATOM 1481 OE1 GLU A 682 17.129 18.404 16.759 1.00 55.03 O ATOM 1482 OE2 GLU A 682 18.624 19.935 16.360 1.00 12.51 O ATOM 0 H GLU A 682 16.249 17.178 12.997 1.00 25.30 H new ATOM 0 HA GLU A 682 18.385 18.647 11.874 1.00 71.34 H new ATOM 0 HB2 GLU A 682 18.228 16.932 14.381 1.00 53.42 H new ATOM 0 HB3 GLU A 682 19.462 18.131 14.049 1.00 53.42 H new ATOM 0 HG2 GLU A 682 17.732 19.903 14.002 1.00 33.12 H new ATOM 0 HG3 GLU A 682 16.494 18.705 14.325 1.00 33.12 H new ATOM 1489 N LYS A 683 18.726 15.444 11.747 1.00 12.40 N ATOM 1490 CA LYS A 683 19.532 14.364 11.195 1.00 45.21 C ATOM 1491 C LYS A 683 19.233 14.217 9.695 1.00 62.13 C ATOM 1492 O LYS A 683 19.892 13.449 8.985 1.00 73.51 O ATOM 1493 CB LYS A 683 19.195 13.059 11.943 1.00 61.21 C ATOM 1494 CG LYS A 683 19.963 11.830 11.485 1.00 42.34 C ATOM 1495 CD LYS A 683 19.577 10.582 12.271 1.00 30.40 C ATOM 1496 CE LYS A 683 18.107 10.229 12.098 1.00 21.11 C ATOM 1497 NZ LYS A 683 17.742 9.017 12.851 1.00 45.12 N ATOM 0 H LYS A 683 17.806 15.150 12.074 1.00 12.40 H new ATOM 0 HA LYS A 683 20.592 14.584 11.318 1.00 45.21 H new ATOM 0 HB2 LYS A 683 19.384 13.210 13.006 1.00 61.21 H new ATOM 0 HB3 LYS A 683 18.129 12.862 11.834 1.00 61.21 H new ATOM 0 HG2 LYS A 683 19.776 11.661 10.424 1.00 42.34 H new ATOM 0 HG3 LYS A 683 21.032 12.010 11.595 1.00 42.34 H new ATOM 0 HD2 LYS A 683 20.192 9.743 11.944 1.00 30.40 H new ATOM 0 HD3 LYS A 683 19.790 10.740 13.328 1.00 30.40 H new ATOM 0 HE2 LYS A 683 17.491 11.064 12.433 1.00 21.11 H new ATOM 0 HE3 LYS A 683 17.892 10.078 11.040 1.00 21.11 H new ATOM 0 HZ1 LYS A 683 16.733 8.810 12.707 1.00 45.12 H new ATOM 0 HZ2 LYS A 683 18.312 8.215 12.514 1.00 45.12 H new ATOM 0 HZ3 LYS A 683 17.923 9.170 13.864 1.00 45.12 H new ATOM 1511 N ARG A 684 18.249 15.006 9.239 1.00 41.04 N ATOM 1512 CA ARG A 684 17.696 14.976 7.884 1.00 34.30 C ATOM 1513 C ARG A 684 17.398 13.576 7.401 1.00 13.25 C ATOM 1514 O ARG A 684 18.193 12.909 6.718 1.00 55.33 O ATOM 1515 CB ARG A 684 18.439 15.827 6.862 1.00 62.35 C ATOM 1516 CG ARG A 684 19.867 15.455 6.648 1.00 22.43 C ATOM 1517 CD ARG A 684 20.464 16.311 5.587 1.00 43.02 C ATOM 1518 NE ARG A 684 21.869 15.999 5.347 1.00 55.14 N ATOM 1519 CZ ARG A 684 22.605 16.519 4.369 1.00 72.10 C ATOM 1520 NH1 ARG A 684 22.063 17.363 3.500 1.00 24.44 N ATOM 1521 NH2 ARG A 684 23.884 16.183 4.249 1.00 64.24 N ATOM 0 H ARG A 684 17.802 15.708 9.829 1.00 41.04 H new ATOM 0 HA ARG A 684 16.733 15.477 7.978 1.00 34.30 H new ATOM 0 HB2 ARG A 684 17.916 15.761 5.908 1.00 62.35 H new ATOM 0 HB3 ARG A 684 18.395 16.869 7.179 1.00 62.35 H new ATOM 0 HG2 ARG A 684 20.425 15.572 7.577 1.00 22.43 H new ATOM 0 HG3 ARG A 684 19.939 14.405 6.363 1.00 22.43 H new ATOM 0 HD2 ARG A 684 19.903 16.183 4.661 1.00 43.02 H new ATOM 0 HD3 ARG A 684 20.371 17.359 5.874 1.00 43.02 H new ATOM 0 HE ARG A 684 22.320 15.334 5.975 1.00 55.14 H new ATOM 0 HH11 ARG A 684 21.078 17.615 3.581 1.00 24.44 H new ATOM 0 HH12 ARG A 684 22.631 17.759 2.752 1.00 24.44 H new ATOM 0 HH21 ARG A 684 24.303 15.526 4.907 1.00 64.24 H new ATOM 0 HH22 ARG A 684 24.448 16.582 3.499 1.00 64.24 H new ATOM 1533 N THR A 685 16.287 13.130 7.804 1.00 3.32 N ATOM 1534 CA THR A 685 15.839 11.823 7.498 1.00 34.55 C ATOM 1535 C THR A 685 14.800 11.876 6.380 1.00 43.42 C ATOM 1536 O THR A 685 13.859 12.691 6.419 1.00 21.11 O ATOM 1537 CB THR A 685 15.257 11.094 8.776 1.00 55.10 C ATOM 1538 OG1 THR A 685 14.896 9.735 8.475 1.00 42.24 O ATOM 1539 CG2 THR A 685 14.036 11.817 9.343 1.00 20.12 C ATOM 0 H THR A 685 15.636 13.670 8.373 1.00 3.32 H new ATOM 0 HA THR A 685 16.695 11.241 7.157 1.00 34.55 H new ATOM 0 HB THR A 685 16.048 11.107 9.525 1.00 55.10 H new ATOM 0 HG1 THR A 685 14.540 9.305 9.281 1.00 42.24 H new ATOM 0 HG21 THR A 685 13.670 11.281 10.219 1.00 20.12 H new ATOM 0 HG22 THR A 685 14.314 12.832 9.628 1.00 20.12 H new ATOM 0 HG23 THR A 685 13.252 11.854 8.587 1.00 20.12 H new ATOM 1545 N PRO A 686 14.979 11.067 5.334 1.00 40.31 N ATOM 1546 CA PRO A 686 13.984 10.927 4.300 1.00 71.31 C ATOM 1547 C PRO A 686 12.771 10.235 4.888 1.00 75.13 C ATOM 1548 O PRO A 686 12.904 9.426 5.828 1.00 1.43 O ATOM 1549 CB PRO A 686 14.653 10.024 3.254 1.00 32.23 C ATOM 1550 CG PRO A 686 16.100 10.051 3.587 1.00 74.12 C ATOM 1551 CD PRO A 686 16.169 10.247 5.065 1.00 2.31 C ATOM 0 HA PRO A 686 13.658 11.876 3.875 1.00 71.31 H new ATOM 0 HB2 PRO A 686 14.257 9.009 3.298 1.00 32.23 H new ATOM 0 HB3 PRO A 686 14.474 10.392 2.244 1.00 32.23 H new ATOM 0 HG2 PRO A 686 16.587 9.122 3.292 1.00 74.12 H new ATOM 0 HG3 PRO A 686 16.608 10.859 3.060 1.00 74.12 H new ATOM 0 HD2 PRO A 686 16.138 9.299 5.602 1.00 2.31 H new ATOM 0 HD3 PRO A 686 17.087 10.753 5.365 1.00 2.31 H new ATOM 1559 N ARG A 687 11.613 10.551 4.381 1.00 10.04 N ATOM 1560 CA ARG A 687 10.400 10.000 4.877 1.00 55.11 C ATOM 1561 C ARG A 687 10.338 8.490 4.636 1.00 14.21 C ATOM 1562 O ARG A 687 11.010 7.953 3.746 1.00 13.51 O ATOM 1563 CB ARG A 687 9.226 10.712 4.221 1.00 62.04 C ATOM 1564 CG ARG A 687 7.836 10.342 4.727 1.00 70.34 C ATOM 1565 CD ARG A 687 7.606 10.713 6.195 1.00 4.42 C ATOM 1566 NE ARG A 687 8.323 9.865 7.179 1.00 41.34 N ATOM 1567 CZ ARG A 687 9.257 10.328 8.040 1.00 30.14 C ATOM 1568 NH1 ARG A 687 9.752 11.550 7.886 1.00 73.35 N ATOM 1569 NH2 ARG A 687 9.698 9.563 9.031 1.00 22.04 N ATOM 0 H ARG A 687 11.492 11.204 3.607 1.00 10.04 H new ATOM 0 HA ARG A 687 10.353 10.151 5.955 1.00 55.11 H new ATOM 0 HB2 ARG A 687 9.362 11.786 4.352 1.00 62.04 H new ATOM 0 HB3 ARG A 687 9.263 10.514 3.150 1.00 62.04 H new ATOM 0 HG2 ARG A 687 7.088 10.842 4.112 1.00 70.34 H new ATOM 0 HG3 ARG A 687 7.685 9.270 4.603 1.00 70.34 H new ATOM 0 HD2 ARG A 687 7.909 11.750 6.343 1.00 4.42 H new ATOM 0 HD3 ARG A 687 6.537 10.660 6.404 1.00 4.42 H new ATOM 0 HE ARG A 687 8.097 8.871 7.208 1.00 41.34 H new ATOM 0 HH11 ARG A 687 9.428 12.139 7.119 1.00 73.35 H new ATOM 0 HH12 ARG A 687 10.457 11.900 8.535 1.00 73.35 H new ATOM 0 HH21 ARG A 687 9.332 8.618 9.147 1.00 22.04 H new ATOM 0 HH22 ARG A 687 10.403 9.920 9.676 1.00 22.04 H new ATOM 1581 N ALA A 688 9.555 7.844 5.446 1.00 51.34 N ATOM 1582 CA ALA A 688 9.325 6.440 5.389 1.00 15.52 C ATOM 1583 C ALA A 688 7.859 6.196 5.698 1.00 31.22 C ATOM 1584 O ALA A 688 7.214 7.011 6.405 1.00 34.31 O ATOM 1585 CB ALA A 688 10.217 5.714 6.388 1.00 14.40 C ATOM 0 H ALA A 688 9.039 8.305 6.195 1.00 51.34 H new ATOM 0 HA ALA A 688 9.566 6.056 4.398 1.00 15.52 H new ATOM 0 HB1 ALA A 688 10.029 4.642 6.332 1.00 14.40 H new ATOM 0 HB2 ALA A 688 11.263 5.912 6.153 1.00 14.40 H new ATOM 0 HB3 ALA A 688 9.999 6.068 7.395 1.00 14.40 H new ATOM 1591 N THR A 689 7.334 5.151 5.147 1.00 63.54 N ATOM 1592 CA THR A 689 5.960 4.759 5.311 1.00 45.01 C ATOM 1593 C THR A 689 5.815 3.253 5.359 1.00 51.01 C ATOM 1594 O THR A 689 6.456 2.535 4.589 1.00 31.02 O ATOM 1595 CB THR A 689 5.132 5.372 4.179 1.00 60.22 C ATOM 1596 OG1 THR A 689 5.057 6.761 4.414 1.00 24.41 O ATOM 1597 CG2 THR A 689 3.736 4.762 4.030 1.00 3.25 C ATOM 0 H THR A 689 7.864 4.519 4.547 1.00 63.54 H new ATOM 0 HA THR A 689 5.590 5.133 6.266 1.00 45.01 H new ATOM 0 HB THR A 689 5.628 5.155 3.233 1.00 60.22 H new ATOM 0 HG1 THR A 689 5.405 6.961 5.308 1.00 24.41 H new ATOM 0 HG21 THR A 689 3.212 5.249 3.208 1.00 3.25 H new ATOM 0 HG22 THR A 689 3.825 3.696 3.823 1.00 3.25 H new ATOM 0 HG23 THR A 689 3.175 4.906 4.954 1.00 3.25 H new ATOM 1603 N LEU A 690 4.997 2.784 6.273 1.00 23.13 N ATOM 1604 CA LEU A 690 4.761 1.414 6.423 1.00 14.10 C ATOM 1605 C LEU A 690 3.267 1.148 6.540 1.00 34.43 C ATOM 1606 O LEU A 690 2.610 1.589 7.493 1.00 55.32 O ATOM 1607 CB LEU A 690 5.454 0.916 7.666 1.00 72.11 C ATOM 1608 CG LEU A 690 5.324 -0.560 7.920 1.00 65.24 C ATOM 1609 CD1 LEU A 690 5.983 -1.326 6.818 1.00 55.50 C ATOM 1610 CD2 LEU A 690 5.913 -0.915 9.238 1.00 54.12 C ATOM 0 H LEU A 690 4.483 3.372 6.929 1.00 23.13 H new ATOM 0 HA LEU A 690 5.150 0.891 5.549 1.00 14.10 H new ATOM 0 HB2 LEU A 690 6.513 1.165 7.598 1.00 72.11 H new ATOM 0 HB3 LEU A 690 5.055 1.454 8.526 1.00 72.11 H new ATOM 0 HG LEU A 690 4.267 -0.824 7.942 1.00 65.24 H new ATOM 0 HD11 LEU A 690 5.885 -2.395 7.009 1.00 55.50 H new ATOM 0 HD12 LEU A 690 5.506 -1.081 5.869 1.00 55.50 H new ATOM 0 HD13 LEU A 690 7.039 -1.061 6.772 1.00 55.50 H new ATOM 0 HD21 LEU A 690 5.810 -1.987 9.406 1.00 54.12 H new ATOM 0 HD22 LEU A 690 6.969 -0.646 9.249 1.00 54.12 H new ATOM 0 HD23 LEU A 690 5.392 -0.373 10.027 1.00 54.12 H new ATOM 1618 N ILE A 691 2.733 0.440 5.597 1.00 21.32 N ATOM 1619 CA ILE A 691 1.345 0.064 5.655 1.00 64.33 C ATOM 1620 C ILE A 691 1.276 -1.267 6.360 1.00 33.35 C ATOM 1621 O ILE A 691 2.086 -2.134 6.094 1.00 74.14 O ATOM 1622 CB ILE A 691 0.663 -0.108 4.252 1.00 3.21 C ATOM 1623 CG1 ILE A 691 0.731 1.153 3.367 1.00 42.32 C ATOM 1624 CG2 ILE A 691 -0.779 -0.538 4.413 1.00 71.33 C ATOM 1625 CD1 ILE A 691 2.087 1.454 2.789 1.00 25.34 C ATOM 0 H ILE A 691 3.233 0.107 4.773 1.00 21.32 H new ATOM 0 HA ILE A 691 0.814 0.866 6.167 1.00 64.33 H new ATOM 0 HB ILE A 691 1.234 -0.882 3.739 1.00 3.21 H new ATOM 0 HG12 ILE A 691 0.020 1.042 2.548 1.00 42.32 H new ATOM 0 HG13 ILE A 691 0.406 2.010 3.957 1.00 42.32 H new ATOM 0 HG21 ILE A 691 -1.236 -0.652 3.430 1.00 71.33 H new ATOM 0 HG22 ILE A 691 -0.818 -1.489 4.944 1.00 71.33 H new ATOM 0 HG23 ILE A 691 -1.323 0.217 4.981 1.00 71.33 H new ATOM 0 HD11 ILE A 691 2.032 2.358 2.183 1.00 25.34 H new ATOM 0 HD12 ILE A 691 2.802 1.603 3.598 1.00 25.34 H new ATOM 0 HD13 ILE A 691 2.411 0.620 2.167 1.00 25.34 H new ATOM 1632 N THR A 692 0.364 -1.418 7.260 1.00 52.45 N ATOM 1633 CA THR A 692 0.194 -2.662 7.924 1.00 64.20 C ATOM 1634 C THR A 692 -1.116 -3.291 7.440 1.00 61.42 C ATOM 1635 O THR A 692 -2.166 -2.638 7.443 1.00 44.44 O ATOM 1636 CB THR A 692 0.190 -2.447 9.446 1.00 55.41 C ATOM 1637 OG1 THR A 692 1.368 -1.683 9.785 1.00 64.33 O ATOM 1638 CG2 THR A 692 0.248 -3.777 10.183 1.00 14.22 C ATOM 0 H THR A 692 -0.281 -0.685 7.554 1.00 52.45 H new ATOM 0 HA THR A 692 1.018 -3.337 7.693 1.00 64.20 H new ATOM 0 HB THR A 692 -0.724 -1.929 9.736 1.00 55.41 H new ATOM 0 HG1 THR A 692 1.391 -1.529 10.753 1.00 64.33 H new ATOM 0 HG21 THR A 692 0.244 -3.598 11.258 1.00 14.22 H new ATOM 0 HG22 THR A 692 -0.618 -4.381 9.913 1.00 14.22 H new ATOM 0 HG23 THR A 692 1.160 -4.307 9.907 1.00 14.22 H new ATOM 1644 N PHE A 693 -1.030 -4.512 6.976 1.00 62.53 N ATOM 1645 CA PHE A 693 -2.166 -5.237 6.456 1.00 72.20 C ATOM 1646 C PHE A 693 -2.779 -6.099 7.569 1.00 74.00 C ATOM 1647 O PHE A 693 -2.139 -7.019 8.081 1.00 12.30 O ATOM 1648 CB PHE A 693 -1.728 -6.122 5.251 1.00 35.24 C ATOM 1649 CG PHE A 693 -1.281 -5.381 3.988 1.00 44.35 C ATOM 1650 CD1 PHE A 693 -0.344 -4.360 4.043 1.00 41.13 C ATOM 1651 CD2 PHE A 693 -1.824 -5.709 2.748 1.00 70.05 C ATOM 1652 CE1 PHE A 693 0.046 -3.690 2.902 1.00 30.32 C ATOM 1653 CE2 PHE A 693 -1.434 -5.031 1.600 1.00 2.51 C ATOM 1654 CZ PHE A 693 -0.499 -4.024 1.681 1.00 72.20 C ATOM 0 H PHE A 693 -0.157 -5.040 6.948 1.00 62.53 H new ATOM 0 HA PHE A 693 -2.918 -4.531 6.105 1.00 72.20 H new ATOM 0 HB2 PHE A 693 -0.910 -6.764 5.578 1.00 35.24 H new ATOM 0 HB3 PHE A 693 -2.560 -6.776 4.987 1.00 35.24 H new ATOM 0 HD1 PHE A 693 0.087 -4.085 4.994 1.00 41.13 H new ATOM 0 HD2 PHE A 693 -2.557 -6.499 2.678 1.00 70.05 H new ATOM 0 HE1 PHE A 693 0.781 -2.901 2.966 1.00 30.32 H new ATOM 0 HE2 PHE A 693 -1.864 -5.294 0.645 1.00 2.51 H new ATOM 0 HZ PHE A 693 -0.193 -3.497 0.789 1.00 72.20 H new ATOM 1664 N LEU A 694 -4.005 -5.783 7.930 1.00 75.42 N ATOM 1665 CA LEU A 694 -4.730 -6.461 9.007 1.00 41.12 C ATOM 1666 C LEU A 694 -5.747 -7.449 8.453 1.00 74.30 C ATOM 1667 O LEU A 694 -6.175 -7.333 7.295 1.00 34.11 O ATOM 1668 CB LEU A 694 -5.453 -5.465 9.953 1.00 73.11 C ATOM 1669 CG LEU A 694 -4.599 -4.447 10.743 1.00 24.31 C ATOM 1670 CD1 LEU A 694 -3.481 -5.127 11.510 1.00 53.23 C ATOM 1671 CD2 LEU A 694 -4.079 -3.325 9.864 1.00 22.11 C ATOM 0 H LEU A 694 -4.541 -5.039 7.483 1.00 75.42 H new ATOM 0 HA LEU A 694 -3.977 -6.998 9.584 1.00 41.12 H new ATOM 0 HB2 LEU A 694 -6.171 -4.903 9.356 1.00 73.11 H new ATOM 0 HB3 LEU A 694 -6.025 -6.049 10.674 1.00 73.11 H new ATOM 0 HG LEU A 694 -5.261 -3.986 11.477 1.00 24.31 H new ATOM 0 HD11 LEU A 694 -2.904 -4.378 12.052 1.00 53.23 H new ATOM 0 HD12 LEU A 694 -3.906 -5.839 12.217 1.00 53.23 H new ATOM 0 HD13 LEU A 694 -2.829 -5.653 10.813 1.00 53.23 H new ATOM 0 HD21 LEU A 694 -3.485 -2.637 10.466 1.00 22.11 H new ATOM 0 HD22 LEU A 694 -3.458 -3.742 9.071 1.00 22.11 H new ATOM 0 HD23 LEU A 694 -4.919 -2.789 9.423 1.00 22.11 H new ATOM 1679 N CYS A 695 -6.169 -8.380 9.289 1.00 14.04 N ATOM 1680 CA CYS A 695 -7.113 -9.409 8.897 1.00 1.05 C ATOM 1681 C CYS A 695 -8.492 -9.095 9.414 1.00 35.24 C ATOM 1682 O CYS A 695 -8.850 -9.411 10.550 1.00 4.31 O ATOM 1683 CB CYS A 695 -6.677 -10.811 9.409 1.00 2.51 C ATOM 1684 SG CYS A 695 -7.979 -12.129 9.294 1.00 63.01 S ATOM 0 H CYS A 695 -5.866 -8.443 10.261 1.00 14.04 H new ATOM 0 HA CYS A 695 -7.131 -9.428 7.807 1.00 1.05 H new ATOM 0 HB2 CYS A 695 -5.804 -11.133 8.841 1.00 2.51 H new ATOM 0 HB3 CYS A 695 -6.364 -10.720 10.449 1.00 2.51 H new ATOM 1689 N ASP A 696 -9.221 -8.373 8.609 1.00 11.20 N ATOM 1690 CA ASP A 696 -10.612 -8.101 8.864 1.00 14.31 C ATOM 1691 C ASP A 696 -11.414 -9.125 8.120 1.00 41.10 C ATOM 1692 O ASP A 696 -11.003 -9.559 7.033 1.00 33.41 O ATOM 1693 CB ASP A 696 -11.005 -6.687 8.430 1.00 2.13 C ATOM 1694 CG ASP A 696 -12.462 -6.370 8.717 1.00 75.33 C ATOM 1695 OD1 ASP A 696 -12.855 -6.373 9.907 1.00 20.55 O ATOM 1696 OD2 ASP A 696 -13.222 -6.082 7.773 1.00 61.22 O ATOM 0 H ASP A 696 -8.866 -7.953 7.750 1.00 11.20 H new ATOM 0 HA ASP A 696 -10.807 -8.159 9.935 1.00 14.31 H new ATOM 0 HB2 ASP A 696 -10.372 -5.964 8.945 1.00 2.13 H new ATOM 0 HB3 ASP A 696 -10.816 -6.573 7.363 1.00 2.13 H new ATOM 1745 N GLY A 700 -12.653 -8.576 0.178 1.00 51.53 N ATOM 1746 CA GLY A 700 -12.387 -7.471 -0.690 1.00 41.01 C ATOM 1747 C GLY A 700 -10.911 -7.295 -0.885 1.00 23.41 C ATOM 1748 O GLY A 700 -10.117 -8.089 -0.361 1.00 35.34 O ATOM 0 HA2 GLY A 700 -12.869 -7.635 -1.654 1.00 41.01 H new ATOM 0 HA3 GLY A 700 -12.815 -6.561 -0.270 1.00 41.01 H new ATOM 1752 N VAL A 701 -10.538 -6.277 -1.626 1.00 44.43 N ATOM 1753 CA VAL A 701 -9.139 -5.983 -1.896 1.00 4.22 C ATOM 1754 C VAL A 701 -8.518 -5.271 -0.688 1.00 25.54 C ATOM 1755 O VAL A 701 -7.325 -5.418 -0.396 1.00 23.51 O ATOM 1756 CB VAL A 701 -8.987 -5.111 -3.179 1.00 61.51 C ATOM 1757 CG1 VAL A 701 -7.528 -4.850 -3.498 1.00 35.12 C ATOM 1758 CG2 VAL A 701 -9.664 -5.782 -4.360 1.00 11.10 C ATOM 0 H VAL A 701 -11.192 -5.626 -2.061 1.00 44.43 H new ATOM 0 HA VAL A 701 -8.614 -6.923 -2.068 1.00 4.22 H new ATOM 0 HB VAL A 701 -9.471 -4.153 -2.988 1.00 61.51 H new ATOM 0 HG11 VAL A 701 -7.456 -4.239 -4.398 1.00 35.12 H new ATOM 0 HG12 VAL A 701 -7.062 -4.324 -2.665 1.00 35.12 H new ATOM 0 HG13 VAL A 701 -7.016 -5.798 -3.661 1.00 35.12 H new ATOM 0 HG21 VAL A 701 -9.548 -5.160 -5.247 1.00 11.10 H new ATOM 0 HG22 VAL A 701 -9.206 -6.755 -4.537 1.00 11.10 H new ATOM 0 HG23 VAL A 701 -10.724 -5.914 -4.145 1.00 11.10 H new ATOM 1764 N GLY A 702 -9.337 -4.547 0.024 1.00 43.54 N ATOM 1765 CA GLY A 702 -8.897 -3.861 1.193 1.00 43.45 C ATOM 1766 C GLY A 702 -8.789 -2.388 0.985 1.00 55.34 C ATOM 1767 O GLY A 702 -8.246 -1.935 -0.024 1.00 24.43 O ATOM 0 H GLY A 702 -10.325 -4.420 -0.195 1.00 43.54 H new ATOM 0 HA2 GLY A 702 -9.591 -4.059 2.010 1.00 43.45 H new ATOM 0 HA3 GLY A 702 -7.927 -4.254 1.497 1.00 43.45 H new ATOM 1771 N PHE A 703 -9.297 -1.636 1.916 1.00 4.15 N ATOM 1772 CA PHE A 703 -9.216 -0.212 1.828 1.00 63.10 C ATOM 1773 C PHE A 703 -8.243 0.327 2.882 1.00 35.34 C ATOM 1774 O PHE A 703 -8.424 0.085 4.093 1.00 32.14 O ATOM 1775 CB PHE A 703 -10.605 0.433 1.961 1.00 71.24 C ATOM 1776 CG PHE A 703 -10.572 1.919 1.803 1.00 62.33 C ATOM 1777 CD1 PHE A 703 -10.445 2.483 0.551 1.00 35.32 C ATOM 1778 CD2 PHE A 703 -10.646 2.749 2.900 1.00 51.11 C ATOM 1779 CE1 PHE A 703 -10.387 3.844 0.396 1.00 54.35 C ATOM 1780 CE2 PHE A 703 -10.595 4.110 2.749 1.00 73.42 C ATOM 1781 CZ PHE A 703 -10.462 4.659 1.495 1.00 12.32 C ATOM 0 H PHE A 703 -9.773 -1.988 2.747 1.00 4.15 H new ATOM 0 HA PHE A 703 -8.833 0.053 0.843 1.00 63.10 H new ATOM 0 HB2 PHE A 703 -11.271 0.007 1.211 1.00 71.24 H new ATOM 0 HB3 PHE A 703 -11.024 0.185 2.936 1.00 71.24 H new ATOM 0 HD1 PHE A 703 -10.391 1.845 -0.318 1.00 35.32 H new ATOM 0 HD2 PHE A 703 -10.745 2.323 3.888 1.00 51.11 H new ATOM 0 HE1 PHE A 703 -10.282 4.273 -0.590 1.00 54.35 H new ATOM 0 HE2 PHE A 703 -10.659 4.752 3.615 1.00 73.42 H new ATOM 0 HZ PHE A 703 -10.417 5.732 1.377 1.00 12.32 H new ATOM 1791 N PRO A 704 -7.182 1.032 2.435 1.00 42.43 N ATOM 1792 CA PRO A 704 -6.183 1.606 3.329 1.00 51.42 C ATOM 1793 C PRO A 704 -6.660 2.892 4.022 1.00 54.32 C ATOM 1794 O PRO A 704 -7.268 3.769 3.407 1.00 13.35 O ATOM 1795 CB PRO A 704 -5.006 1.906 2.400 1.00 23.00 C ATOM 1796 CG PRO A 704 -5.622 2.142 1.062 1.00 30.52 C ATOM 1797 CD PRO A 704 -6.876 1.307 1.011 1.00 31.20 C ATOM 0 HA PRO A 704 -5.943 0.927 4.147 1.00 51.42 H new ATOM 0 HB2 PRO A 704 -4.449 2.780 2.738 1.00 23.00 H new ATOM 0 HB3 PRO A 704 -4.304 1.073 2.370 1.00 23.00 H new ATOM 0 HG2 PRO A 704 -5.854 3.198 0.923 1.00 30.52 H new ATOM 0 HG3 PRO A 704 -4.935 1.859 0.264 1.00 30.52 H new ATOM 0 HD2 PRO A 704 -7.692 1.841 0.523 1.00 31.20 H new ATOM 0 HD3 PRO A 704 -6.719 0.385 0.451 1.00 31.20 H new ATOM 1805 N GLU A 705 -6.357 2.980 5.287 1.00 21.13 N ATOM 1806 CA GLU A 705 -6.700 4.105 6.144 1.00 10.12 C ATOM 1807 C GLU A 705 -5.450 4.590 6.868 1.00 13.03 C ATOM 1808 O GLU A 705 -4.552 3.803 7.135 1.00 2.45 O ATOM 1809 CB GLU A 705 -7.744 3.636 7.153 1.00 43.31 C ATOM 1810 CG GLU A 705 -9.153 3.461 6.584 1.00 13.14 C ATOM 1811 CD GLU A 705 -9.927 4.763 6.525 1.00 34.21 C ATOM 1812 OE1 GLU A 705 -10.516 5.155 7.559 1.00 41.42 O ATOM 1813 OE2 GLU A 705 -9.965 5.408 5.483 1.00 24.23 O ATOM 0 H GLU A 705 -5.845 2.247 5.778 1.00 21.13 H new ATOM 0 HA GLU A 705 -7.101 4.928 5.553 1.00 10.12 H new ATOM 0 HB2 GLU A 705 -7.418 2.686 7.577 1.00 43.31 H new ATOM 0 HB3 GLU A 705 -7.785 4.354 7.972 1.00 43.31 H new ATOM 0 HG2 GLU A 705 -9.085 3.038 5.582 1.00 13.14 H new ATOM 0 HG3 GLU A 705 -9.701 2.745 7.196 1.00 13.14 H new ATOM 1820 N TYR A 706 -5.384 5.867 7.169 1.00 64.41 N ATOM 1821 CA TYR A 706 -4.229 6.423 7.859 1.00 33.11 C ATOM 1822 C TYR A 706 -4.350 6.244 9.372 1.00 55.13 C ATOM 1823 O TYR A 706 -5.423 6.465 9.947 1.00 42.34 O ATOM 1824 CB TYR A 706 -4.075 7.925 7.518 1.00 54.30 C ATOM 1825 CG TYR A 706 -2.941 8.625 8.263 1.00 14.31 C ATOM 1826 CD1 TYR A 706 -1.687 8.043 8.376 1.00 45.14 C ATOM 1827 CD2 TYR A 706 -3.137 9.866 8.849 1.00 55.03 C ATOM 1828 CE1 TYR A 706 -0.670 8.670 9.051 1.00 2.53 C ATOM 1829 CE2 TYR A 706 -2.119 10.507 9.523 1.00 72.40 C ATOM 1830 CZ TYR A 706 -0.890 9.904 9.623 1.00 11.14 C ATOM 1831 OH TYR A 706 0.124 10.538 10.302 1.00 3.14 O ATOM 0 H TYR A 706 -6.114 6.545 6.949 1.00 64.41 H new ATOM 0 HA TYR A 706 -3.344 5.884 7.521 1.00 33.11 H new ATOM 0 HB2 TYR A 706 -3.907 8.027 6.446 1.00 54.30 H new ATOM 0 HB3 TYR A 706 -5.012 8.435 7.744 1.00 54.30 H new ATOM 0 HD1 TYR A 706 -1.508 7.078 7.924 1.00 45.14 H new ATOM 0 HD2 TYR A 706 -4.105 10.340 8.776 1.00 55.03 H new ATOM 0 HE1 TYR A 706 0.298 8.198 9.133 1.00 2.53 H new ATOM 0 HE2 TYR A 706 -2.287 11.476 9.969 1.00 72.40 H new ATOM 0 HH TYR A 706 0.877 10.695 9.694 1.00 3.14 H new ATOM 1841 N GLN A 707 -3.282 5.829 10.012 1.00 14.43 N ATOM 1842 CA GLN A 707 -3.266 5.779 11.445 1.00 24.44 C ATOM 1843 C GLN A 707 -2.258 6.815 11.936 1.00 12.52 C ATOM 1844 O GLN A 707 -1.068 6.726 11.654 1.00 72.43 O ATOM 1845 CB GLN A 707 -3.026 4.348 11.996 1.00 3.11 C ATOM 1846 CG GLN A 707 -1.697 3.707 11.684 1.00 73.22 C ATOM 1847 CD GLN A 707 -1.640 2.269 12.164 1.00 62.24 C ATOM 1848 OE1 GLN A 707 -2.655 1.568 12.194 1.00 52.14 O ATOM 1849 NE2 GLN A 707 -0.489 1.831 12.580 1.00 64.40 N ATOM 0 H GLN A 707 -2.420 5.524 9.561 1.00 14.43 H new ATOM 0 HA GLN A 707 -4.249 6.034 11.840 1.00 24.44 H new ATOM 0 HB2 GLN A 707 -3.141 4.379 13.079 1.00 3.11 H new ATOM 0 HB3 GLN A 707 -3.813 3.700 11.610 1.00 3.11 H new ATOM 0 HG2 GLN A 707 -1.521 3.739 10.609 1.00 73.22 H new ATOM 0 HG3 GLN A 707 -0.898 4.279 12.155 1.00 73.22 H new ATOM 0 HE21 GLN A 707 0.331 2.436 12.542 1.00 64.40 H new ATOM 0 HE22 GLN A 707 -0.406 0.882 12.945 1.00 64.40 H new ATOM 1912 N SER A 712 6.071 10.894 12.403 1.00 73.25 N ATOM 1913 CA SER A 712 6.119 11.293 10.983 1.00 43.04 C ATOM 1914 C SER A 712 6.250 10.111 10.025 1.00 11.43 C ATOM 1915 O SER A 712 6.015 10.245 8.838 1.00 63.11 O ATOM 1916 CB SER A 712 7.101 12.482 10.652 1.00 60.50 C ATOM 1917 OG SER A 712 8.472 12.200 10.938 1.00 24.00 O ATOM 0 HA SER A 712 5.132 11.717 10.800 1.00 43.04 H new ATOM 0 HB2 SER A 712 7.005 12.735 9.596 1.00 60.50 H new ATOM 0 HB3 SER A 712 6.795 13.361 11.220 1.00 60.50 H new ATOM 0 HG SER A 712 9.021 12.978 10.708 1.00 24.00 H new ATOM 1923 N THR A 713 6.580 8.954 10.548 1.00 24.44 N ATOM 1924 CA THR A 713 6.643 7.777 9.743 1.00 1.23 C ATOM 1925 C THR A 713 5.233 7.252 9.621 1.00 52.01 C ATOM 1926 O THR A 713 4.640 6.780 10.586 1.00 71.33 O ATOM 1927 CB THR A 713 7.588 6.730 10.359 1.00 22.34 C ATOM 1928 OG1 THR A 713 8.897 7.323 10.493 1.00 42.01 O ATOM 1929 CG2 THR A 713 7.690 5.494 9.472 1.00 44.23 C ATOM 0 H THR A 713 6.808 8.811 11.532 1.00 24.44 H new ATOM 0 HA THR A 713 7.049 8.004 8.757 1.00 1.23 H new ATOM 0 HB THR A 713 7.196 6.424 11.329 1.00 22.34 H new ATOM 0 HG1 THR A 713 9.516 6.896 9.864 1.00 42.01 H new ATOM 0 HG21 THR A 713 8.364 4.771 9.931 1.00 44.23 H new ATOM 0 HG22 THR A 713 6.703 5.047 9.356 1.00 44.23 H new ATOM 0 HG23 THR A 713 8.076 5.779 8.493 1.00 44.23 H new ATOM 1935 N TYR A 714 4.700 7.405 8.445 1.00 1.33 N ATOM 1936 CA TYR A 714 3.321 7.151 8.189 1.00 54.44 C ATOM 1937 C TYR A 714 2.965 5.678 8.161 1.00 44.32 C ATOM 1938 O TYR A 714 3.403 4.923 7.286 1.00 44.01 O ATOM 1939 CB TYR A 714 2.872 7.871 6.915 1.00 14.43 C ATOM 1940 CG TYR A 714 2.973 9.383 7.017 1.00 42.04 C ATOM 1941 CD1 TYR A 714 2.042 10.088 7.745 1.00 10.20 C ATOM 1942 CD2 TYR A 714 3.990 10.102 6.393 1.00 70.45 C ATOM 1943 CE1 TYR A 714 2.094 11.452 7.866 1.00 33.12 C ATOM 1944 CE2 TYR A 714 4.049 11.487 6.512 1.00 44.23 C ATOM 1945 CZ TYR A 714 3.086 12.147 7.259 1.00 50.20 C ATOM 1946 OH TYR A 714 3.122 13.517 7.392 1.00 71.44 O ATOM 0 H TYR A 714 5.223 7.715 7.626 1.00 1.33 H new ATOM 0 HA TYR A 714 2.767 7.558 9.035 1.00 54.44 H new ATOM 0 HB2 TYR A 714 3.480 7.528 6.078 1.00 14.43 H new ATOM 0 HB3 TYR A 714 1.841 7.596 6.694 1.00 14.43 H new ATOM 0 HD1 TYR A 714 1.245 9.549 8.236 1.00 10.20 H new ATOM 0 HD2 TYR A 714 4.737 9.581 5.813 1.00 70.45 H new ATOM 0 HE1 TYR A 714 1.345 11.972 8.445 1.00 33.12 H new ATOM 0 HE2 TYR A 714 4.838 12.043 6.027 1.00 44.23 H new ATOM 0 HH TYR A 714 2.783 13.934 6.572 1.00 71.44 H new ATOM 1956 N ASN A 715 2.207 5.280 9.142 1.00 23.43 N ATOM 1957 CA ASN A 715 1.648 3.955 9.208 1.00 12.52 C ATOM 1958 C ASN A 715 0.244 3.965 8.703 1.00 22.23 C ATOM 1959 O ASN A 715 -0.527 4.898 8.962 1.00 1.24 O ATOM 1960 CB ASN A 715 1.685 3.366 10.621 1.00 74.51 C ATOM 1961 CG ASN A 715 3.022 2.757 10.998 1.00 13.40 C ATOM 1962 OD1 ASN A 715 3.920 3.431 11.477 1.00 25.25 O ATOM 1963 ND2 ASN A 715 3.137 1.449 10.818 1.00 63.54 N ATOM 0 H ASN A 715 1.954 5.874 9.932 1.00 23.43 H new ATOM 0 HA ASN A 715 2.268 3.319 8.576 1.00 12.52 H new ATOM 0 HB2 ASN A 715 1.439 4.150 11.337 1.00 74.51 H new ATOM 0 HB3 ASN A 715 0.912 2.602 10.706 1.00 74.51 H new ATOM 0 HD21 ASN A 715 3.999 0.972 11.083 1.00 63.54 H new ATOM 0 HD22 ASN A 715 2.364 0.920 10.415 1.00 63.54 H new ATOM 1969 N PHE A 716 -0.096 2.958 7.966 1.00 43.02 N ATOM 1970 CA PHE A 716 -1.420 2.837 7.438 1.00 12.53 C ATOM 1971 C PHE A 716 -2.051 1.560 7.860 1.00 72.10 C ATOM 1972 O PHE A 716 -1.376 0.544 8.028 1.00 21.22 O ATOM 1973 CB PHE A 716 -1.445 3.019 5.929 1.00 64.51 C ATOM 1974 CG PHE A 716 -1.090 4.410 5.534 1.00 23.22 C ATOM 1975 CD1 PHE A 716 -2.073 5.362 5.409 1.00 4.34 C ATOM 1976 CD2 PHE A 716 0.225 4.781 5.324 1.00 31.43 C ATOM 1977 CE1 PHE A 716 -1.762 6.653 5.084 1.00 51.24 C ATOM 1978 CE2 PHE A 716 0.535 6.077 4.992 1.00 42.23 C ATOM 1979 CZ PHE A 716 -0.467 7.010 4.877 1.00 74.20 C ATOM 0 H PHE A 716 0.533 2.196 7.712 1.00 43.02 H new ATOM 0 HA PHE A 716 -2.018 3.646 7.857 1.00 12.53 H new ATOM 0 HB2 PHE A 716 -0.747 2.321 5.467 1.00 64.51 H new ATOM 0 HB3 PHE A 716 -2.438 2.776 5.550 1.00 64.51 H new ATOM 0 HD1 PHE A 716 -3.105 5.087 5.570 1.00 4.34 H new ATOM 0 HD2 PHE A 716 1.012 4.048 5.421 1.00 31.43 H new ATOM 0 HE1 PHE A 716 -2.546 7.390 4.992 1.00 51.24 H new ATOM 0 HE2 PHE A 716 1.563 6.362 4.822 1.00 42.23 H new ATOM 0 HZ PHE A 716 -0.225 8.031 4.621 1.00 74.20 H new ATOM 1989 N ARG A 717 -3.327 1.613 8.031 1.00 62.33 N ATOM 1990 CA ARG A 717 -4.091 0.523 8.509 1.00 13.35 C ATOM 1991 C ARG A 717 -4.961 0.030 7.361 1.00 20.24 C ATOM 1992 O ARG A 717 -5.946 0.658 6.997 1.00 73.53 O ATOM 1993 CB ARG A 717 -4.914 1.023 9.703 1.00 41.01 C ATOM 1994 CG ARG A 717 -5.683 -0.019 10.471 1.00 73.03 C ATOM 1995 CD ARG A 717 -6.345 0.607 11.699 1.00 11.30 C ATOM 1996 NE ARG A 717 -5.353 1.201 12.621 1.00 74.15 N ATOM 1997 CZ ARG A 717 -5.628 1.736 13.823 1.00 11.31 C ATOM 1998 NH1 ARG A 717 -6.880 1.794 14.261 1.00 64.23 N ATOM 1999 NH2 ARG A 717 -4.640 2.228 14.577 1.00 2.41 N ATOM 0 H ARG A 717 -3.882 2.446 7.834 1.00 62.33 H new ATOM 0 HA ARG A 717 -3.478 -0.312 8.848 1.00 13.35 H new ATOM 0 HB2 ARG A 717 -4.240 1.528 10.395 1.00 41.01 H new ATOM 0 HB3 ARG A 717 -5.620 1.771 9.342 1.00 41.01 H new ATOM 0 HG2 ARG A 717 -6.442 -0.467 9.829 1.00 73.03 H new ATOM 0 HG3 ARG A 717 -5.013 -0.821 10.780 1.00 73.03 H new ATOM 0 HD2 ARG A 717 -7.049 1.376 11.379 1.00 11.30 H new ATOM 0 HD3 ARG A 717 -6.921 -0.153 12.227 1.00 11.30 H new ATOM 0 HE ARG A 717 -4.379 1.205 12.320 1.00 74.15 H new ATOM 0 HH11 ARG A 717 -7.639 1.431 13.684 1.00 64.23 H new ATOM 0 HH12 ARG A 717 -7.083 2.201 15.174 1.00 64.23 H new ATOM 0 HH21 ARG A 717 -3.678 2.197 14.240 1.00 2.41 H new ATOM 0 HH22 ARG A 717 -4.848 2.634 15.489 1.00 2.41 H new ATOM 2011 N TRP A 718 -4.533 -1.041 6.757 1.00 0.33 N ATOM 2012 CA TRP A 718 -5.172 -1.601 5.583 1.00 1.32 C ATOM 2013 C TRP A 718 -5.864 -2.906 5.984 1.00 32.35 C ATOM 2014 O TRP A 718 -5.209 -3.853 6.405 1.00 4.24 O ATOM 2015 CB TRP A 718 -4.061 -1.874 4.531 1.00 13.33 C ATOM 2016 CG TRP A 718 -4.496 -2.326 3.149 1.00 42.12 C ATOM 2017 CD1 TRP A 718 -5.414 -3.287 2.835 1.00 65.04 C ATOM 2018 CD2 TRP A 718 -3.958 -1.870 1.886 1.00 22.41 C ATOM 2019 NE1 TRP A 718 -5.502 -3.436 1.474 1.00 41.23 N ATOM 2020 CE2 TRP A 718 -4.623 -2.589 0.871 1.00 34.52 C ATOM 2021 CE3 TRP A 718 -2.985 -0.914 1.508 1.00 44.42 C ATOM 2022 CZ2 TRP A 718 -4.358 -2.395 -0.476 1.00 62.42 C ATOM 2023 CZ3 TRP A 718 -2.728 -0.737 0.167 1.00 43.52 C ATOM 2024 CH2 TRP A 718 -3.410 -1.474 -0.805 1.00 51.51 C ATOM 0 H TRP A 718 -3.715 -1.566 7.066 1.00 0.33 H new ATOM 0 HA TRP A 718 -5.916 -0.923 5.165 1.00 1.32 H new ATOM 0 HB2 TRP A 718 -3.475 -0.962 4.417 1.00 13.33 H new ATOM 0 HB3 TRP A 718 -3.393 -2.633 4.938 1.00 13.33 H new ATOM 0 HD1 TRP A 718 -5.989 -3.850 3.556 1.00 65.04 H new ATOM 0 HE1 TRP A 718 -6.128 -4.080 0.990 1.00 41.23 H new ATOM 0 HE3 TRP A 718 -2.457 -0.338 2.253 1.00 44.42 H new ATOM 0 HZ2 TRP A 718 -4.884 -2.953 -1.236 1.00 62.42 H new ATOM 0 HZ3 TRP A 718 -1.985 -0.015 -0.139 1.00 43.52 H new ATOM 0 HH2 TRP A 718 -3.179 -1.309 -1.847 1.00 51.51 H new ATOM 2035 N TYR A 719 -7.170 -2.945 5.882 1.00 73.53 N ATOM 2036 CA TYR A 719 -7.905 -4.156 6.212 1.00 60.33 C ATOM 2037 C TYR A 719 -8.241 -4.922 4.955 1.00 60.41 C ATOM 2038 O TYR A 719 -9.077 -4.492 4.170 1.00 44.01 O ATOM 2039 CB TYR A 719 -9.190 -3.843 6.969 1.00 62.32 C ATOM 2040 CG TYR A 719 -9.002 -3.239 8.334 1.00 31.13 C ATOM 2041 CD1 TYR A 719 -8.721 -4.044 9.427 1.00 64.52 C ATOM 2042 CD2 TYR A 719 -9.131 -1.876 8.539 1.00 45.21 C ATOM 2043 CE1 TYR A 719 -8.574 -3.513 10.683 1.00 55.02 C ATOM 2044 CE2 TYR A 719 -8.979 -1.334 9.797 1.00 71.31 C ATOM 2045 CZ TYR A 719 -8.703 -2.162 10.865 1.00 54.31 C ATOM 2046 OH TYR A 719 -8.556 -1.630 12.118 1.00 24.44 O ATOM 0 H TYR A 719 -7.748 -2.162 5.576 1.00 73.53 H new ATOM 0 HA TYR A 719 -7.265 -4.762 6.854 1.00 60.33 H new ATOM 0 HB2 TYR A 719 -9.789 -3.160 6.367 1.00 62.32 H new ATOM 0 HB3 TYR A 719 -9.764 -4.764 7.073 1.00 62.32 H new ATOM 0 HD1 TYR A 719 -8.616 -5.110 9.287 1.00 64.52 H new ATOM 0 HD2 TYR A 719 -9.353 -1.230 7.703 1.00 45.21 H new ATOM 0 HE1 TYR A 719 -8.358 -4.156 11.523 1.00 55.02 H new ATOM 0 HE2 TYR A 719 -9.075 -0.269 9.945 1.00 71.31 H new ATOM 0 HH TYR A 719 -7.934 -2.181 12.637 1.00 24.44 H new ATOM 2056 N THR A 720 -7.580 -6.028 4.756 1.00 12.34 N ATOM 2057 CA THR A 720 -7.821 -6.841 3.602 1.00 32.43 C ATOM 2058 C THR A 720 -7.911 -8.310 3.969 1.00 24.13 C ATOM 2059 O THR A 720 -7.203 -8.787 4.865 1.00 23.43 O ATOM 2060 CB THR A 720 -6.776 -6.610 2.471 1.00 71.22 C ATOM 2061 OG1 THR A 720 -7.050 -7.455 1.355 1.00 43.21 O ATOM 2062 CG2 THR A 720 -5.366 -6.851 2.936 1.00 21.04 C ATOM 0 H THR A 720 -6.863 -6.388 5.386 1.00 12.34 H new ATOM 0 HA THR A 720 -8.787 -6.529 3.204 1.00 32.43 H new ATOM 0 HB THR A 720 -6.862 -5.564 2.177 1.00 71.22 H new ATOM 0 HG1 THR A 720 -7.036 -6.924 0.531 1.00 43.21 H new ATOM 0 HG21 THR A 720 -4.676 -6.677 2.111 1.00 21.04 H new ATOM 0 HG22 THR A 720 -5.132 -6.171 3.755 1.00 21.04 H new ATOM 0 HG23 THR A 720 -5.267 -7.881 3.280 1.00 21.04 H new ATOM 2068 N SER A 721 -8.791 -9.023 3.297 1.00 0.11 N ATOM 2069 CA SER A 721 -8.917 -10.452 3.477 1.00 53.12 C ATOM 2070 C SER A 721 -7.613 -11.140 3.002 1.00 52.52 C ATOM 2071 O SER A 721 -7.250 -12.226 3.472 1.00 22.21 O ATOM 2072 CB SER A 721 -10.137 -10.974 2.704 1.00 42.30 C ATOM 2073 OG SER A 721 -10.350 -12.358 2.926 1.00 34.21 O ATOM 0 H SER A 721 -9.437 -8.629 2.613 1.00 0.11 H new ATOM 0 HA SER A 721 -9.069 -10.683 4.531 1.00 53.12 H new ATOM 0 HB2 SER A 721 -11.024 -10.417 3.006 1.00 42.30 H new ATOM 0 HB3 SER A 721 -9.996 -10.795 1.638 1.00 42.30 H new ATOM 0 HG SER A 721 -11.135 -12.654 2.419 1.00 34.21 H new ATOM 2079 N TYR A 722 -6.901 -10.459 2.091 1.00 55.42 N ATOM 2080 CA TYR A 722 -5.626 -10.931 1.552 1.00 12.01 C ATOM 2081 C TYR A 722 -4.500 -10.850 2.599 1.00 23.33 C ATOM 2082 O TYR A 722 -3.425 -11.375 2.407 1.00 50.43 O ATOM 2083 CB TYR A 722 -5.229 -10.139 0.297 1.00 35.44 C ATOM 2084 CG TYR A 722 -6.128 -10.354 -0.906 1.00 31.21 C ATOM 2085 CD1 TYR A 722 -5.897 -11.406 -1.776 1.00 11.34 C ATOM 2086 CD2 TYR A 722 -7.194 -9.505 -1.179 1.00 23.11 C ATOM 2087 CE1 TYR A 722 -6.694 -11.612 -2.878 1.00 2.23 C ATOM 2088 CE2 TYR A 722 -8.001 -9.708 -2.288 1.00 31.52 C ATOM 2089 CZ TYR A 722 -7.741 -10.767 -3.132 1.00 44.15 C ATOM 2090 OH TYR A 722 -8.539 -10.986 -4.236 1.00 10.11 O ATOM 0 H TYR A 722 -7.199 -9.562 1.709 1.00 55.42 H new ATOM 0 HA TYR A 722 -5.765 -11.977 1.280 1.00 12.01 H new ATOM 0 HB2 TYR A 722 -5.223 -9.077 0.542 1.00 35.44 H new ATOM 0 HB3 TYR A 722 -4.209 -10.409 0.023 1.00 35.44 H new ATOM 0 HD1 TYR A 722 -5.074 -12.079 -1.585 1.00 11.34 H new ATOM 0 HD2 TYR A 722 -7.397 -8.675 -0.518 1.00 23.11 H new ATOM 0 HE1 TYR A 722 -6.494 -12.440 -3.542 1.00 2.23 H new ATOM 0 HE2 TYR A 722 -8.827 -9.042 -2.489 1.00 31.52 H new ATOM 0 HH TYR A 722 -9.238 -10.300 -4.275 1.00 10.11 H new ATOM 2100 N ALA A 723 -4.758 -10.187 3.696 1.00 74.05 N ATOM 2101 CA ALA A 723 -3.763 -10.062 4.748 1.00 64.24 C ATOM 2102 C ALA A 723 -3.940 -11.155 5.760 1.00 2.35 C ATOM 2103 O ALA A 723 -3.321 -11.153 6.829 1.00 44.33 O ATOM 2104 CB ALA A 723 -3.915 -8.742 5.426 1.00 1.13 C ATOM 0 H ALA A 723 -5.645 -9.723 3.891 1.00 74.05 H new ATOM 0 HA ALA A 723 -2.771 -10.139 4.303 1.00 64.24 H new ATOM 0 HB1 ALA A 723 -3.168 -8.650 6.215 1.00 1.13 H new ATOM 0 HB2 ALA A 723 -3.776 -7.942 4.699 1.00 1.13 H new ATOM 0 HB3 ALA A 723 -4.912 -8.669 5.860 1.00 1.13 H new ATOM 2110 N CYS A 724 -4.753 -12.091 5.419 1.00 3.34 N ATOM 2111 CA CYS A 724 -5.134 -13.101 6.318 1.00 71.43 C ATOM 2112 C CYS A 724 -5.133 -14.418 5.563 1.00 4.33 C ATOM 2113 O CYS A 724 -5.403 -14.423 4.358 1.00 24.51 O ATOM 2114 CB CYS A 724 -6.543 -12.762 6.769 1.00 3.03 C ATOM 2115 SG CYS A 724 -7.127 -13.630 8.238 1.00 65.43 S ATOM 0 H CYS A 724 -5.173 -12.171 4.493 1.00 3.34 H new ATOM 0 HA CYS A 724 -4.465 -13.177 7.175 1.00 71.43 H new ATOM 0 HB2 CYS A 724 -6.595 -11.690 6.959 1.00 3.03 H new ATOM 0 HB3 CYS A 724 -7.228 -12.974 5.948 1.00 3.03 H new ATOM 2120 N PRO A 725 -4.796 -15.544 6.216 1.00 32.42 N ATOM 2121 CA PRO A 725 -4.834 -16.851 5.574 1.00 10.53 C ATOM 2122 C PRO A 725 -6.279 -17.329 5.401 1.00 43.33 C ATOM 2123 O PRO A 725 -6.915 -16.991 4.375 1.00 37.46 O ATOM 2124 CB PRO A 725 -4.075 -17.780 6.550 1.00 14.33 C ATOM 2125 CG PRO A 725 -3.516 -16.890 7.616 1.00 54.00 C ATOM 2126 CD PRO A 725 -4.337 -15.637 7.610 1.00 24.12 C ATOM 2127 OXT PRO A 725 -6.805 -18.024 6.305 1.00 37.46 O ATOM 0 HA PRO A 725 -4.391 -16.835 4.578 1.00 10.53 H new ATOM 0 HB2 PRO A 725 -4.744 -18.527 6.977 1.00 14.33 H new ATOM 0 HB3 PRO A 725 -3.280 -18.320 6.036 1.00 14.33 H new ATOM 0 HG2 PRO A 725 -3.562 -17.378 8.590 1.00 54.00 H new ATOM 0 HG3 PRO A 725 -2.467 -16.666 7.421 1.00 54.00 H new ATOM 0 HD2 PRO A 725 -5.173 -15.700 8.306 1.00 24.12 H new ATOM 0 HD3 PRO A 725 -3.747 -14.767 7.899 1.00 24.12 H new