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 685 THR OG1 : rot -128:sc= 0.462 USER MOD Set 1.2: A 712 SER OG : rot -31:sc= 0.547 USER MOD Set 2.1: A 692 THR OG1 : rot -176:sc= 0.415 USER MOD Set 2.2: A 715 ASN : amide:sc= 0.0729 K(o=0.49,f=-0.54!) USER MOD Set 3.1: A 644 GLN : amide:sc=-0.00353 K(o=0.91,f=-0.2) USER MOD Set 3.2: A 714 TYR OH : rot -30:sc= 0.911 USER MOD Single : A 587 THR OG1 : rot 180:sc= 0 USER MOD Single : A 591 ASN : amide:sc= -0.0135 K(o=-0.013,f=-0.87) USER MOD Single : A 593 THR OG1 : rot 1:sc= 1.16 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 598 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.96) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 609 THR OG1 : rot -161:sc= -1.32! USER MOD Single : A 610 LYS NZ :NH3+ -170:sc= -0.0122 (180deg=-0.124) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 30:sc= 1.17 USER MOD Single : A 615 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.535) USER MOD Single : A 618 THR OG1 : rot -59:sc= 2.13 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= 0.0983 K(o=0.098,f=-5.1!) USER MOD Single : A 626 ASN : amide:sc= 1.1 K(o=1.1,f=-6.5!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot -66:sc= 0.634 USER MOD Single : A 646 SER OG : rot 99:sc= 1.1 USER MOD Single : A 648 SER OG : rot -170:sc= -0.765 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 654 ASN : amide:sc= 0.706 K(o=0.71,f=-6.9!) USER MOD Single : A 658 SER OG : rot 83:sc= 0.786 USER MOD Single : A 659 ASN : amide:sc= -1.44! C(o=-1.4!,f=-3.1!) USER MOD Single : A 661 LYS NZ :NH3+ -160:sc= 1.48 (180deg=0.818) USER MOD Single : A 663 SER OG : rot 150:sc= -0.224 USER MOD Single : A 664 TYR OH : rot -61:sc= 0.0848 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 155:sc= -0.0915 (180deg=-0.906) USER MOD Single : A 670 GLN : amide:sc= -2.39! C(o=-2.4!,f=-5.2!) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -168:sc= 1.31 USER MOD Single : A 677 THR OG1 : rot -150:sc= 0.0732 USER MOD Single : A 679 TYR OH : rot 1:sc= -4.69! USER MOD Single : A 680 ASN : amide:sc= -0.379 K(o=-0.38,f=-3.2!) USER MOD Single : A 681 ASN : amide:sc= 0.393 K(o=0.39,f=-9.5!) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 THR OG1 : rot -150:sc= -0.312 USER MOD Single : A 706 TYR OH : rot 180:sc= 0 USER MOD Single : A 707 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.4) USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= 0.928 USER MOD Single : A 720 THR OG1 : rot 121:sc= -0.462! 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 10.653 -9.811 11.132 1.00 14.41 N ATOM 115 CA ARG A 586 10.176 -9.220 9.915 1.00 43.42 C ATOM 116 C ARG A 586 10.957 -9.783 8.746 1.00 35.11 C ATOM 117 O ARG A 586 12.167 -9.588 8.643 1.00 15.00 O ATOM 118 CB ARG A 586 10.289 -7.691 9.936 1.00 73.34 C ATOM 119 CG ARG A 586 9.724 -7.039 8.685 1.00 14.43 C ATOM 120 CD ARG A 586 9.939 -5.527 8.644 1.00 41.42 C ATOM 121 NE ARG A 586 11.364 -5.162 8.632 1.00 11.41 N ATOM 122 CZ ARG A 586 12.100 -4.949 7.515 1.00 52.34 C ATOM 123 NH1 ARG A 586 11.574 -5.169 6.310 1.00 62.53 N ATOM 124 NH2 ARG A 586 13.358 -4.522 7.614 1.00 25.21 N ATOM 0 HA ARG A 586 9.119 -9.465 9.812 1.00 43.42 H new ATOM 0 HB2 ARG A 586 9.764 -7.305 10.810 1.00 73.34 H new ATOM 0 HB3 ARG A 586 11.337 -7.411 10.044 1.00 73.34 H new ATOM 0 HG2 ARG A 586 10.188 -7.489 7.807 1.00 14.43 H new ATOM 0 HG3 ARG A 586 8.656 -7.249 8.624 1.00 14.43 H new ATOM 0 HD2 ARG A 586 9.455 -5.118 7.757 1.00 41.42 H new ATOM 0 HD3 ARG A 586 9.457 -5.071 9.509 1.00 41.42 H new ATOM 0 HE ARG A 586 11.833 -5.062 9.532 1.00 11.41 H new ATOM 0 HH11 ARG A 586 10.613 -5.499 6.226 1.00 62.53 H new ATOM 0 HH12 ARG A 586 12.133 -5.007 5.472 1.00 62.53 H new ATOM 0 HH21 ARG A 586 13.769 -4.355 8.532 1.00 25.21 H new ATOM 0 HH22 ARG A 586 13.910 -4.362 6.771 1.00 25.21 H new ATOM 136 N THR A 587 10.277 -10.476 7.891 1.00 61.15 N ATOM 137 CA THR A 587 10.888 -11.063 6.733 1.00 2.15 C ATOM 138 C THR A 587 10.329 -10.393 5.463 1.00 21.41 C ATOM 139 O THR A 587 9.127 -10.389 5.255 1.00 72.11 O ATOM 140 CB THR A 587 10.569 -12.574 6.689 1.00 43.31 C ATOM 141 OG1 THR A 587 10.943 -13.187 7.946 1.00 11.14 O ATOM 142 CG2 THR A 587 11.333 -13.244 5.561 1.00 24.04 C ATOM 0 H THR A 587 9.276 -10.654 7.973 1.00 61.15 H new ATOM 0 HA THR A 587 11.967 -10.918 6.783 1.00 2.15 H new ATOM 0 HB THR A 587 9.500 -12.699 6.519 1.00 43.31 H new ATOM 0 HG1 THR A 587 10.738 -14.145 7.917 1.00 11.14 H new ATOM 0 HG21 THR A 587 11.097 -14.308 5.544 1.00 24.04 H new ATOM 0 HG22 THR A 587 11.048 -12.794 4.610 1.00 24.04 H new ATOM 0 HG23 THR A 587 12.404 -13.112 5.718 1.00 24.04 H new ATOM 148 N GLU A 588 11.179 -9.806 4.639 1.00 44.23 N ATOM 149 CA GLU A 588 10.701 -9.194 3.408 1.00 44.14 C ATOM 150 C GLU A 588 11.046 -10.037 2.196 1.00 60.43 C ATOM 151 O GLU A 588 12.121 -10.631 2.121 1.00 44.02 O ATOM 152 CB GLU A 588 11.151 -7.722 3.241 1.00 53.44 C ATOM 153 CG GLU A 588 12.652 -7.477 3.242 1.00 44.12 C ATOM 154 CD GLU A 588 12.990 -6.011 3.035 1.00 25.51 C ATOM 155 OE1 GLU A 588 12.862 -5.218 4.001 1.00 55.22 O ATOM 156 OE2 GLU A 588 13.377 -5.625 1.904 1.00 33.53 O ATOM 0 H GLU A 588 12.185 -9.739 4.793 1.00 44.23 H new ATOM 0 HA GLU A 588 9.614 -9.161 3.487 1.00 44.14 H new ATOM 0 HB2 GLU A 588 10.742 -7.342 2.305 1.00 53.44 H new ATOM 0 HB3 GLU A 588 10.707 -7.134 4.044 1.00 53.44 H new ATOM 0 HG2 GLU A 588 13.074 -7.816 4.188 1.00 44.12 H new ATOM 0 HG3 GLU A 588 13.117 -8.071 2.455 1.00 44.12 H new ATOM 163 N GLY A 589 10.109 -10.117 1.268 1.00 52.32 N ATOM 164 CA GLY A 589 10.317 -10.914 0.079 1.00 2.22 C ATOM 165 C GLY A 589 10.578 -10.075 -1.146 1.00 30.13 C ATOM 166 O GLY A 589 11.218 -10.539 -2.089 1.00 51.21 O ATOM 0 H GLY A 589 9.207 -9.644 1.316 1.00 52.32 H new ATOM 0 HA2 GLY A 589 11.160 -11.586 0.240 1.00 2.22 H new ATOM 0 HA3 GLY A 589 9.440 -11.538 -0.093 1.00 2.22 H new ATOM 170 N ASP A 590 10.065 -8.840 -1.127 1.00 60.52 N ATOM 171 CA ASP A 590 10.212 -7.848 -2.226 1.00 44.43 C ATOM 172 C ASP A 590 9.376 -8.298 -3.472 1.00 31.40 C ATOM 173 O ASP A 590 8.762 -9.374 -3.458 1.00 41.24 O ATOM 174 CB ASP A 590 11.726 -7.612 -2.571 1.00 24.51 C ATOM 175 CG ASP A 590 12.012 -6.339 -3.375 1.00 13.44 C ATOM 176 OD1 ASP A 590 11.792 -6.319 -4.600 1.00 2.12 O ATOM 177 OD2 ASP A 590 12.475 -5.335 -2.777 1.00 71.44 O ATOM 0 H ASP A 590 9.524 -8.484 -0.339 1.00 60.52 H new ATOM 0 HA ASP A 590 9.816 -6.888 -1.896 1.00 44.43 H new ATOM 0 HB2 ASP A 590 12.294 -7.573 -1.641 1.00 24.51 H new ATOM 0 HB3 ASP A 590 12.094 -8.470 -3.133 1.00 24.51 H new ATOM 182 N ASN A 591 9.329 -7.463 -4.503 1.00 61.43 N ATOM 183 CA ASN A 591 8.566 -7.714 -5.758 1.00 62.33 C ATOM 184 C ASN A 591 7.123 -8.198 -5.546 1.00 30.05 C ATOM 185 O ASN A 591 6.734 -9.254 -6.051 1.00 61.43 O ATOM 186 CB ASN A 591 9.319 -8.642 -6.731 1.00 74.42 C ATOM 187 CG ASN A 591 10.579 -8.022 -7.302 1.00 24.12 C ATOM 188 OD1 ASN A 591 10.669 -6.801 -7.472 1.00 44.11 O ATOM 189 ND2 ASN A 591 11.554 -8.848 -7.604 1.00 25.14 N ATOM 0 H ASN A 591 9.823 -6.571 -4.508 1.00 61.43 H new ATOM 0 HA ASN A 591 8.485 -6.729 -6.217 1.00 62.33 H new ATOM 0 HB2 ASN A 591 9.580 -9.565 -6.213 1.00 74.42 H new ATOM 0 HB3 ASN A 591 8.653 -8.914 -7.550 1.00 74.42 H new ATOM 0 HD21 ASN A 591 12.425 -8.488 -7.994 1.00 25.14 H new ATOM 0 HD22 ASN A 591 11.440 -9.850 -7.449 1.00 25.14 H new ATOM 195 N CYS A 592 6.353 -7.443 -4.747 1.00 63.12 N ATOM 196 CA CYS A 592 4.907 -7.704 -4.512 1.00 41.35 C ATOM 197 C CYS A 592 4.668 -9.003 -3.771 1.00 71.40 C ATOM 198 O CYS A 592 3.521 -9.456 -3.631 1.00 30.12 O ATOM 199 CB CYS A 592 4.121 -7.721 -5.834 1.00 3.10 C ATOM 200 SG CYS A 592 4.217 -6.180 -6.776 1.00 42.10 S ATOM 0 H CYS A 592 6.707 -6.631 -4.241 1.00 63.12 H new ATOM 0 HA CYS A 592 4.549 -6.885 -3.888 1.00 41.35 H new ATOM 0 HB2 CYS A 592 4.493 -8.536 -6.454 1.00 3.10 H new ATOM 0 HB3 CYS A 592 3.075 -7.937 -5.618 1.00 3.10 H new ATOM 205 N THR A 593 5.718 -9.582 -3.256 1.00 0.02 N ATOM 206 CA THR A 593 5.611 -10.834 -2.604 1.00 23.30 C ATOM 207 C THR A 593 6.320 -10.818 -1.281 1.00 64.15 C ATOM 208 O THR A 593 7.209 -9.991 -1.038 1.00 74.30 O ATOM 209 CB THR A 593 6.148 -11.993 -3.489 1.00 22.15 C ATOM 210 OG1 THR A 593 7.492 -11.705 -3.935 1.00 10.23 O ATOM 211 CG2 THR A 593 5.244 -12.233 -4.695 1.00 31.01 C ATOM 0 H THR A 593 6.660 -9.193 -3.282 1.00 0.02 H new ATOM 0 HA THR A 593 4.550 -11.011 -2.427 1.00 23.30 H new ATOM 0 HB THR A 593 6.157 -12.898 -2.881 1.00 22.15 H new ATOM 0 HG1 THR A 593 7.780 -10.843 -3.569 1.00 10.23 H new ATOM 0 HG21 THR A 593 5.646 -13.050 -5.294 1.00 31.01 H new ATOM 0 HG22 THR A 593 4.242 -12.493 -4.353 1.00 31.01 H new ATOM 0 HG23 THR A 593 5.197 -11.328 -5.300 1.00 31.01 H new ATOM 217 N VAL A 594 5.908 -11.682 -0.437 1.00 4.24 N ATOM 218 CA VAL A 594 6.498 -11.878 0.833 1.00 23.53 C ATOM 219 C VAL A 594 6.492 -13.348 1.143 1.00 71.42 C ATOM 220 O VAL A 594 5.512 -14.037 0.884 1.00 72.30 O ATOM 221 CB VAL A 594 5.790 -11.052 1.954 1.00 11.43 C ATOM 222 CG1 VAL A 594 4.294 -11.247 1.916 1.00 31.32 C ATOM 223 CG2 VAL A 594 6.300 -11.451 3.316 1.00 50.23 C ATOM 0 H VAL A 594 5.117 -12.300 -0.617 1.00 4.24 H new ATOM 0 HA VAL A 594 7.525 -11.513 0.803 1.00 23.53 H new ATOM 0 HB VAL A 594 6.018 -10.002 1.771 1.00 11.43 H new ATOM 0 HG11 VAL A 594 3.830 -10.659 2.708 1.00 31.32 H new ATOM 0 HG12 VAL A 594 3.909 -10.921 0.950 1.00 31.32 H new ATOM 0 HG13 VAL A 594 4.061 -12.302 2.063 1.00 31.32 H new ATOM 0 HG21 VAL A 594 5.793 -10.863 4.081 1.00 50.23 H new ATOM 0 HG22 VAL A 594 6.103 -12.510 3.482 1.00 50.23 H new ATOM 0 HG23 VAL A 594 7.373 -11.269 3.370 1.00 50.23 H new ATOM 229 N PHE A 595 7.578 -13.821 1.624 1.00 23.24 N ATOM 230 CA PHE A 595 7.713 -15.182 1.976 1.00 2.42 C ATOM 231 C PHE A 595 8.388 -15.283 3.305 1.00 14.41 C ATOM 232 O PHE A 595 9.166 -14.410 3.675 1.00 32.21 O ATOM 233 CB PHE A 595 8.447 -15.992 0.885 1.00 32.53 C ATOM 234 CG PHE A 595 9.818 -15.480 0.518 1.00 25.10 C ATOM 235 CD1 PHE A 595 10.935 -15.859 1.245 1.00 60.51 C ATOM 236 CD2 PHE A 595 9.985 -14.626 -0.561 1.00 64.20 C ATOM 237 CE1 PHE A 595 12.185 -15.395 0.907 1.00 60.25 C ATOM 238 CE2 PHE A 595 11.236 -14.160 -0.904 1.00 33.13 C ATOM 239 CZ PHE A 595 12.338 -14.547 -0.168 1.00 32.25 C ATOM 0 H PHE A 595 8.415 -13.262 1.788 1.00 23.24 H new ATOM 0 HA PHE A 595 6.720 -15.626 2.055 1.00 2.42 H new ATOM 0 HB2 PHE A 595 8.541 -17.024 1.222 1.00 32.53 H new ATOM 0 HB3 PHE A 595 7.829 -16.005 -0.013 1.00 32.53 H new ATOM 0 HD1 PHE A 595 10.823 -16.526 2.087 1.00 60.51 H new ATOM 0 HD2 PHE A 595 9.125 -14.322 -1.140 1.00 64.20 H new ATOM 0 HE1 PHE A 595 13.047 -15.696 1.484 1.00 60.25 H new ATOM 0 HE2 PHE A 595 11.354 -13.494 -1.746 1.00 33.13 H new ATOM 0 HZ PHE A 595 13.320 -14.185 -0.435 1.00 32.25 H new ATOM 249 N ASP A 596 8.098 -16.319 4.012 1.00 12.11 N ATOM 250 CA ASP A 596 8.663 -16.537 5.315 1.00 51.12 C ATOM 251 C ASP A 596 9.784 -17.499 5.193 1.00 14.24 C ATOM 252 O ASP A 596 9.574 -18.649 4.836 1.00 24.43 O ATOM 253 CB ASP A 596 7.639 -17.170 6.270 1.00 75.32 C ATOM 254 CG ASP A 596 6.545 -16.299 6.727 1.00 23.53 C ATOM 255 OD1 ASP A 596 5.567 -16.120 5.989 1.00 54.31 O ATOM 256 OD2 ASP A 596 6.610 -15.876 7.880 1.00 72.03 O ATOM 0 H ASP A 596 7.457 -17.051 3.707 1.00 12.11 H new ATOM 0 HA ASP A 596 8.985 -15.572 5.705 1.00 51.12 H new ATOM 0 HB2 ASP A 596 7.201 -18.037 5.776 1.00 75.32 H new ATOM 0 HB3 ASP A 596 8.172 -17.538 7.147 1.00 75.32 H new ATOM 261 N SER A 597 10.973 -17.047 5.498 1.00 40.12 N ATOM 262 CA SER A 597 12.137 -17.896 5.452 1.00 62.45 C ATOM 263 C SER A 597 12.050 -18.975 6.541 1.00 3.32 C ATOM 264 O SER A 597 12.398 -20.123 6.316 1.00 10.33 O ATOM 265 CB SER A 597 13.391 -17.044 5.617 1.00 11.03 C ATOM 266 OG SER A 597 13.429 -16.022 4.626 1.00 64.53 O ATOM 0 H SER A 597 11.162 -16.086 5.784 1.00 40.12 H new ATOM 0 HA SER A 597 12.185 -18.401 4.487 1.00 62.45 H new ATOM 0 HB2 SER A 597 13.407 -16.597 6.611 1.00 11.03 H new ATOM 0 HB3 SER A 597 14.278 -17.672 5.536 1.00 11.03 H new ATOM 0 HG SER A 597 14.238 -15.481 4.744 1.00 64.53 H new ATOM 272 N GLN A 598 11.561 -18.592 7.706 1.00 33.13 N ATOM 273 CA GLN A 598 11.407 -19.532 8.799 1.00 33.44 C ATOM 274 C GLN A 598 10.158 -20.426 8.730 1.00 31.51 C ATOM 275 O GLN A 598 10.190 -21.570 9.171 1.00 54.24 O ATOM 276 CB GLN A 598 11.598 -18.891 10.191 1.00 23.10 C ATOM 277 CG GLN A 598 10.910 -17.530 10.491 1.00 22.24 C ATOM 278 CD GLN A 598 9.411 -17.482 10.269 1.00 64.01 C ATOM 279 OE1 GLN A 598 8.640 -17.827 11.145 1.00 33.32 O ATOM 280 NE2 GLN A 598 8.996 -16.946 9.144 1.00 35.12 N ATOM 0 H GLN A 598 11.265 -17.639 7.919 1.00 33.13 H new ATOM 0 HA GLN A 598 12.239 -20.221 8.652 1.00 33.44 H new ATOM 0 HB2 GLN A 598 11.249 -19.608 10.935 1.00 23.10 H new ATOM 0 HB3 GLN A 598 12.668 -18.762 10.350 1.00 23.10 H new ATOM 0 HG2 GLN A 598 11.113 -17.263 11.528 1.00 22.24 H new ATOM 0 HG3 GLN A 598 11.375 -16.765 9.869 1.00 22.24 H new ATOM 0 HE21 GLN A 598 9.671 -16.669 8.432 1.00 35.12 H new ATOM 0 HE22 GLN A 598 7.998 -16.807 8.983 1.00 35.12 H new ATOM 288 N ALA A 599 9.079 -19.918 8.189 1.00 31.15 N ATOM 289 CA ALA A 599 7.840 -20.696 8.146 1.00 24.53 C ATOM 290 C ALA A 599 7.616 -21.397 6.804 1.00 32.44 C ATOM 291 O ALA A 599 6.825 -22.338 6.722 1.00 11.51 O ATOM 292 CB ALA A 599 6.649 -19.815 8.480 1.00 54.33 C ATOM 0 H ALA A 599 9.020 -18.987 7.776 1.00 31.15 H new ATOM 0 HA ALA A 599 7.941 -21.479 8.898 1.00 24.53 H new ATOM 0 HB1 ALA A 599 5.736 -20.409 8.444 1.00 54.33 H new ATOM 0 HB2 ALA A 599 6.772 -19.400 9.480 1.00 54.33 H new ATOM 0 HB3 ALA A 599 6.583 -19.003 7.756 1.00 54.33 H new ATOM 298 N GLY A 600 8.324 -20.962 5.767 1.00 55.53 N ATOM 299 CA GLY A 600 8.145 -21.545 4.440 1.00 63.24 C ATOM 300 C GLY A 600 6.803 -21.161 3.836 1.00 63.35 C ATOM 301 O GLY A 600 6.198 -21.922 3.075 1.00 63.24 O ATOM 0 H GLY A 600 9.019 -20.217 5.817 1.00 55.53 H new ATOM 0 HA2 GLY A 600 8.949 -21.211 3.784 1.00 63.24 H new ATOM 0 HA3 GLY A 600 8.218 -22.631 4.506 1.00 63.24 H new ATOM 305 N PHE A 601 6.349 -19.988 4.165 1.00 63.22 N ATOM 306 CA PHE A 601 5.053 -19.513 3.740 1.00 33.33 C ATOM 307 C PHE A 601 5.223 -18.380 2.727 1.00 60.33 C ATOM 308 O PHE A 601 6.288 -17.792 2.655 1.00 3.20 O ATOM 309 CB PHE A 601 4.289 -19.035 4.975 1.00 0.10 C ATOM 310 CG PHE A 601 2.916 -18.568 4.689 1.00 54.11 C ATOM 311 CD1 PHE A 601 1.889 -19.484 4.548 1.00 61.11 C ATOM 312 CD2 PHE A 601 2.640 -17.217 4.549 1.00 73.10 C ATOM 313 CE1 PHE A 601 0.616 -19.069 4.274 1.00 31.23 C ATOM 314 CE2 PHE A 601 1.371 -16.809 4.277 1.00 14.03 C ATOM 315 CZ PHE A 601 0.355 -17.730 4.138 1.00 33.04 C ATOM 0 H PHE A 601 6.867 -19.324 4.740 1.00 63.22 H new ATOM 0 HA PHE A 601 4.492 -20.312 3.255 1.00 33.33 H new ATOM 0 HB2 PHE A 601 4.242 -19.849 5.698 1.00 0.10 H new ATOM 0 HB3 PHE A 601 4.847 -18.225 5.444 1.00 0.10 H new ATOM 0 HD1 PHE A 601 2.095 -20.539 4.656 1.00 61.11 H new ATOM 0 HD2 PHE A 601 3.431 -16.489 4.656 1.00 73.10 H new ATOM 0 HE1 PHE A 601 -0.179 -19.791 4.165 1.00 31.23 H new ATOM 0 HE2 PHE A 601 1.158 -15.756 4.169 1.00 14.03 H new ATOM 0 HZ PHE A 601 -0.649 -17.396 3.921 1.00 33.04 H new ATOM 325 N SER A 602 4.199 -18.112 1.922 1.00 22.50 N ATOM 326 CA SER A 602 4.258 -17.032 0.965 1.00 10.50 C ATOM 327 C SER A 602 2.911 -16.275 0.841 1.00 34.25 C ATOM 328 O SER A 602 1.838 -16.876 0.902 1.00 74.24 O ATOM 329 CB SER A 602 4.700 -17.577 -0.401 1.00 64.30 C ATOM 330 OG SER A 602 3.839 -18.630 -0.834 1.00 13.14 O ATOM 0 H SER A 602 3.322 -18.633 1.920 1.00 22.50 H new ATOM 0 HA SER A 602 4.990 -16.309 1.326 1.00 10.50 H new ATOM 0 HB2 SER A 602 4.695 -16.773 -1.136 1.00 64.30 H new ATOM 0 HB3 SER A 602 5.725 -17.943 -0.336 1.00 64.30 H new ATOM 0 HG SER A 602 4.139 -18.960 -1.707 1.00 13.14 H new ATOM 336 N PHE A 603 2.997 -14.967 0.704 1.00 52.31 N ATOM 337 CA PHE A 603 1.864 -14.100 0.367 1.00 3.24 C ATOM 338 C PHE A 603 2.239 -13.224 -0.803 1.00 43.45 C ATOM 339 O PHE A 603 3.406 -12.824 -0.957 1.00 70.30 O ATOM 340 CB PHE A 603 1.398 -13.159 1.507 1.00 13.53 C ATOM 341 CG PHE A 603 0.436 -13.697 2.527 1.00 2.12 C ATOM 342 CD1 PHE A 603 -0.776 -14.232 2.133 1.00 45.51 C ATOM 343 CD2 PHE A 603 0.718 -13.620 3.875 1.00 73.11 C ATOM 344 CE1 PHE A 603 -1.689 -14.687 3.066 1.00 60.30 C ATOM 345 CE2 PHE A 603 -0.196 -14.065 4.816 1.00 63.02 C ATOM 346 CZ PHE A 603 -1.399 -14.601 4.407 1.00 40.14 C ATOM 0 H PHE A 603 3.872 -14.457 0.825 1.00 52.31 H new ATOM 0 HA PHE A 603 1.041 -14.781 0.150 1.00 3.24 H new ATOM 0 HB2 PHE A 603 2.286 -12.814 2.037 1.00 13.53 H new ATOM 0 HB3 PHE A 603 0.940 -12.283 1.048 1.00 13.53 H new ATOM 0 HD1 PHE A 603 -1.013 -14.295 1.081 1.00 45.51 H new ATOM 0 HD2 PHE A 603 1.662 -13.208 4.200 1.00 73.11 H new ATOM 0 HE1 PHE A 603 -2.629 -15.109 2.742 1.00 60.30 H new ATOM 0 HE2 PHE A 603 0.033 -13.992 5.869 1.00 63.02 H new ATOM 0 HZ PHE A 603 -2.112 -14.952 5.139 1.00 40.14 H new ATOM 356 N ASP A 604 1.287 -12.954 -1.627 1.00 52.22 N ATOM 357 CA ASP A 604 1.457 -12.016 -2.718 1.00 31.33 C ATOM 358 C ASP A 604 0.333 -11.027 -2.660 1.00 24.14 C ATOM 359 O ASP A 604 -0.819 -11.407 -2.444 1.00 25.23 O ATOM 360 CB ASP A 604 1.551 -12.679 -4.117 1.00 32.42 C ATOM 361 CG ASP A 604 0.300 -13.401 -4.570 1.00 71.04 C ATOM 362 OD1 ASP A 604 -0.602 -12.756 -5.145 1.00 71.01 O ATOM 363 OD2 ASP A 604 0.215 -14.641 -4.388 1.00 51.13 O ATOM 0 H ASP A 604 0.358 -13.372 -1.576 1.00 52.22 H new ATOM 0 HA ASP A 604 2.419 -11.521 -2.587 1.00 31.33 H new ATOM 0 HB2 ASP A 604 1.794 -11.910 -4.851 1.00 32.42 H new ATOM 0 HB3 ASP A 604 2.379 -13.388 -4.111 1.00 32.42 H new ATOM 368 N LEU A 605 0.631 -9.777 -2.811 1.00 63.42 N ATOM 369 CA LEU A 605 -0.409 -8.777 -2.743 1.00 20.32 C ATOM 370 C LEU A 605 -0.459 -7.997 -4.040 1.00 13.12 C ATOM 371 O LEU A 605 -0.874 -6.845 -4.083 1.00 11.12 O ATOM 372 CB LEU A 605 -0.228 -7.857 -1.519 1.00 25.34 C ATOM 373 CG LEU A 605 -0.207 -8.559 -0.140 1.00 13.41 C ATOM 374 CD1 LEU A 605 0.002 -7.552 0.960 1.00 15.22 C ATOM 375 CD2 LEU A 605 -1.495 -9.349 0.112 1.00 24.43 C ATOM 0 H LEU A 605 1.570 -9.418 -2.981 1.00 63.42 H new ATOM 0 HA LEU A 605 -1.369 -9.277 -2.612 1.00 20.32 H new ATOM 0 HB2 LEU A 605 0.705 -7.306 -1.638 1.00 25.34 H new ATOM 0 HB3 LEU A 605 -1.034 -7.123 -1.519 1.00 25.34 H new ATOM 0 HG LEU A 605 0.624 -9.264 -0.145 1.00 13.41 H new ATOM 0 HD11 LEU A 605 0.014 -8.062 1.923 1.00 15.22 H new ATOM 0 HD12 LEU A 605 0.952 -7.040 0.809 1.00 15.22 H new ATOM 0 HD13 LEU A 605 -0.809 -6.824 0.946 1.00 15.22 H new ATOM 0 HD21 LEU A 605 -1.443 -9.828 1.090 1.00 24.43 H new ATOM 0 HD22 LEU A 605 -2.349 -8.672 0.085 1.00 24.43 H new ATOM 0 HD23 LEU A 605 -1.611 -10.111 -0.659 1.00 24.43 H new ATOM 383 N THR A 606 -0.079 -8.657 -5.100 1.00 10.41 N ATOM 384 CA THR A 606 -0.118 -8.108 -6.419 1.00 13.52 C ATOM 385 C THR A 606 -1.573 -7.623 -6.823 1.00 24.24 C ATOM 386 O THR A 606 -1.719 -6.527 -7.370 1.00 74.15 O ATOM 387 CB THR A 606 0.389 -9.145 -7.409 1.00 15.34 C ATOM 388 OG1 THR A 606 1.599 -9.718 -6.880 1.00 5.33 O ATOM 389 CG2 THR A 606 0.709 -8.481 -8.719 1.00 24.02 C ATOM 0 H THR A 606 0.274 -9.613 -5.065 1.00 10.41 H new ATOM 0 HA THR A 606 0.526 -7.229 -6.439 1.00 13.52 H new ATOM 0 HB THR A 606 -0.371 -9.911 -7.564 1.00 15.34 H new ATOM 0 HG1 THR A 606 1.942 -10.392 -7.504 1.00 5.33 H new ATOM 0 HG21 THR A 606 1.072 -9.227 -9.426 1.00 24.02 H new ATOM 0 HG22 THR A 606 -0.190 -8.010 -9.118 1.00 24.02 H new ATOM 0 HG23 THR A 606 1.477 -7.723 -8.565 1.00 24.02 H new ATOM 395 N PRO A 607 -2.682 -8.422 -6.552 1.00 33.51 N ATOM 396 CA PRO A 607 -4.071 -7.970 -6.844 1.00 31.24 C ATOM 397 C PRO A 607 -4.482 -6.750 -5.986 1.00 61.51 C ATOM 398 O PRO A 607 -5.461 -6.055 -6.280 1.00 53.03 O ATOM 399 CB PRO A 607 -4.935 -9.192 -6.489 1.00 25.11 C ATOM 400 CG PRO A 607 -4.095 -10.007 -5.565 1.00 15.04 C ATOM 401 CD PRO A 607 -2.679 -9.810 -6.013 1.00 1.40 C ATOM 0 HA PRO A 607 -4.182 -7.644 -7.878 1.00 31.24 H new ATOM 0 HB2 PRO A 607 -5.867 -8.890 -6.011 1.00 25.11 H new ATOM 0 HB3 PRO A 607 -5.203 -9.758 -7.381 1.00 25.11 H new ATOM 0 HG2 PRO A 607 -4.226 -9.685 -4.532 1.00 15.04 H new ATOM 0 HG3 PRO A 607 -4.375 -11.059 -5.609 1.00 15.04 H new ATOM 0 HD2 PRO A 607 -1.976 -9.919 -5.187 1.00 1.40 H new ATOM 0 HD3 PRO A 607 -2.393 -10.537 -6.773 1.00 1.40 H new ATOM 409 N LEU A 608 -3.718 -6.500 -4.939 1.00 13.24 N ATOM 410 CA LEU A 608 -3.930 -5.368 -4.059 1.00 41.41 C ATOM 411 C LEU A 608 -3.399 -4.101 -4.731 1.00 52.34 C ATOM 412 O LEU A 608 -3.812 -3.012 -4.413 1.00 25.52 O ATOM 413 CB LEU A 608 -3.185 -5.575 -2.710 1.00 10.43 C ATOM 414 CG LEU A 608 -3.690 -6.629 -1.681 1.00 3.24 C ATOM 415 CD1 LEU A 608 -4.931 -6.168 -1.022 1.00 23.11 C ATOM 416 CD2 LEU A 608 -3.928 -7.982 -2.298 1.00 11.52 C ATOM 0 H LEU A 608 -2.925 -7.084 -4.674 1.00 13.24 H new ATOM 0 HA LEU A 608 -4.998 -5.274 -3.862 1.00 41.41 H new ATOM 0 HB2 LEU A 608 -2.152 -5.828 -2.949 1.00 10.43 H new ATOM 0 HB3 LEU A 608 -3.168 -4.611 -2.201 1.00 10.43 H new ATOM 0 HG LEU A 608 -2.895 -6.736 -0.943 1.00 3.24 H new ATOM 0 HD11 LEU A 608 -5.265 -6.921 -0.308 1.00 23.11 H new ATOM 0 HD12 LEU A 608 -4.739 -5.231 -0.499 1.00 23.11 H new ATOM 0 HD13 LEU A 608 -5.705 -6.012 -1.773 1.00 23.11 H new ATOM 0 HD21 LEU A 608 -4.279 -8.674 -1.533 1.00 11.52 H new ATOM 0 HD22 LEU A 608 -4.680 -7.897 -3.082 1.00 11.52 H new ATOM 0 HD23 LEU A 608 -2.998 -8.355 -2.726 1.00 11.52 H new ATOM 424 N THR A 609 -2.471 -4.279 -5.654 1.00 41.11 N ATOM 425 CA THR A 609 -1.837 -3.177 -6.362 1.00 44.53 C ATOM 426 C THR A 609 -2.769 -2.616 -7.452 1.00 64.00 C ATOM 427 O THR A 609 -3.391 -3.376 -8.189 1.00 10.52 O ATOM 428 CB THR A 609 -0.530 -3.671 -7.020 1.00 24.22 C ATOM 429 OG1 THR A 609 0.307 -4.259 -6.019 1.00 3.11 O ATOM 430 CG2 THR A 609 0.222 -2.527 -7.692 1.00 35.51 C ATOM 0 H THR A 609 -2.132 -5.199 -5.937 1.00 41.11 H new ATOM 0 HA THR A 609 -1.621 -2.386 -5.644 1.00 44.53 H new ATOM 0 HB THR A 609 -0.788 -4.405 -7.783 1.00 24.22 H new ATOM 0 HG1 THR A 609 1.229 -4.305 -6.349 1.00 3.11 H new ATOM 0 HG21 THR A 609 1.137 -2.909 -8.145 1.00 35.51 H new ATOM 0 HG22 THR A 609 -0.406 -2.082 -8.463 1.00 35.51 H new ATOM 0 HG23 THR A 609 0.474 -1.771 -6.948 1.00 35.51 H new ATOM 436 N LYS A 610 -2.854 -1.300 -7.552 1.00 12.42 N ATOM 437 CA LYS A 610 -3.642 -0.651 -8.593 1.00 22.14 C ATOM 438 C LYS A 610 -2.738 0.230 -9.406 1.00 71.24 C ATOM 439 O LYS A 610 -1.772 0.741 -8.887 1.00 73.41 O ATOM 440 CB LYS A 610 -4.718 0.252 -8.002 1.00 25.30 C ATOM 441 CG LYS A 610 -5.771 -0.432 -7.168 1.00 23.33 C ATOM 442 CD LYS A 610 -6.870 0.556 -6.812 1.00 1.34 C ATOM 443 CE LYS A 610 -7.951 -0.076 -5.959 1.00 62.53 C ATOM 444 NZ LYS A 610 -8.618 -1.218 -6.622 1.00 22.44 N ATOM 0 H LYS A 610 -2.383 -0.653 -6.920 1.00 12.42 H new ATOM 0 HA LYS A 610 -4.108 -1.434 -9.191 1.00 22.14 H new ATOM 0 HB2 LYS A 610 -4.231 1.009 -7.387 1.00 25.30 H new ATOM 0 HB3 LYS A 610 -5.214 0.776 -8.819 1.00 25.30 H new ATOM 0 HG2 LYS A 610 -6.191 -1.275 -7.717 1.00 23.33 H new ATOM 0 HG3 LYS A 610 -5.323 -0.834 -6.259 1.00 23.33 H new ATOM 0 HD2 LYS A 610 -6.437 1.402 -6.279 1.00 1.34 H new ATOM 0 HD3 LYS A 610 -7.314 0.949 -7.727 1.00 1.34 H new ATOM 0 HE2 LYS A 610 -7.513 -0.414 -5.019 1.00 62.53 H new ATOM 0 HE3 LYS A 610 -8.697 0.679 -5.710 1.00 62.53 H new ATOM 0 HZ1 LYS A 610 -9.453 -1.500 -6.070 1.00 22.44 H new ATOM 0 HZ2 LYS A 610 -8.914 -0.939 -7.579 1.00 22.44 H new ATOM 0 HZ3 LYS A 610 -7.957 -2.018 -6.683 1.00 22.44 H new ATOM 458 N LYS A 611 -3.027 0.413 -10.667 1.00 12.30 N ATOM 459 CA LYS A 611 -2.241 1.354 -11.447 1.00 43.15 C ATOM 460 C LYS A 611 -2.657 2.786 -11.109 1.00 14.33 C ATOM 461 O LYS A 611 -1.883 3.727 -11.257 1.00 43.53 O ATOM 462 CB LYS A 611 -2.307 1.081 -12.952 1.00 60.04 C ATOM 463 CG LYS A 611 -3.686 1.135 -13.574 1.00 74.20 C ATOM 464 CD LYS A 611 -3.584 0.928 -15.066 1.00 23.14 C ATOM 465 CE LYS A 611 -4.935 0.965 -15.735 1.00 20.31 C ATOM 466 NZ LYS A 611 -4.821 0.834 -17.197 1.00 14.41 N ATOM 0 H LYS A 611 -3.777 -0.058 -11.172 1.00 12.30 H new ATOM 0 HA LYS A 611 -1.195 1.219 -11.172 1.00 43.15 H new ATOM 0 HB2 LYS A 611 -1.671 1.805 -13.461 1.00 60.04 H new ATOM 0 HB3 LYS A 611 -1.882 0.095 -13.142 1.00 60.04 H new ATOM 0 HG2 LYS A 611 -4.323 0.368 -13.134 1.00 74.20 H new ATOM 0 HG3 LYS A 611 -4.153 2.097 -13.362 1.00 74.20 H new ATOM 0 HD2 LYS A 611 -2.945 1.699 -15.496 1.00 23.14 H new ATOM 0 HD3 LYS A 611 -3.106 -0.031 -15.267 1.00 23.14 H new ATOM 0 HE2 LYS A 611 -5.557 0.159 -15.345 1.00 20.31 H new ATOM 0 HE3 LYS A 611 -5.437 1.902 -15.491 1.00 20.31 H new ATOM 0 HZ1 LYS A 611 -5.769 0.864 -17.623 1.00 14.41 H new ATOM 0 HZ2 LYS A 611 -4.248 1.617 -17.572 1.00 14.41 H new ATOM 0 HZ3 LYS A 611 -4.365 -0.071 -17.430 1.00 14.41 H new ATOM 480 N ASP A 612 -3.895 2.926 -10.629 1.00 15.33 N ATOM 481 CA ASP A 612 -4.445 4.231 -10.232 1.00 71.41 C ATOM 482 C ASP A 612 -3.989 4.596 -8.839 1.00 54.35 C ATOM 483 O ASP A 612 -4.079 5.764 -8.429 1.00 75.32 O ATOM 484 CB ASP A 612 -5.980 4.214 -10.236 1.00 11.13 C ATOM 485 CG ASP A 612 -6.589 3.905 -11.572 1.00 71.14 C ATOM 486 OD1 ASP A 612 -6.745 4.823 -12.398 1.00 0.30 O ATOM 487 OD2 ASP A 612 -6.947 2.731 -11.815 1.00 74.25 O ATOM 0 H ASP A 612 -4.542 2.147 -10.504 1.00 15.33 H new ATOM 0 HA ASP A 612 -4.084 4.962 -10.955 1.00 71.41 H new ATOM 0 HB2 ASP A 612 -6.326 3.476 -9.512 1.00 11.13 H new ATOM 0 HB3 ASP A 612 -6.344 5.185 -9.899 1.00 11.13 H new ATOM 492 N ALA A 613 -3.498 3.577 -8.117 1.00 73.11 N ATOM 493 CA ALA A 613 -3.055 3.680 -6.722 1.00 64.13 C ATOM 494 C ALA A 613 -4.229 3.926 -5.765 1.00 43.54 C ATOM 495 O ALA A 613 -5.379 4.035 -6.184 1.00 0.40 O ATOM 496 CB ALA A 613 -1.965 4.737 -6.549 1.00 22.14 C ATOM 0 H ALA A 613 -3.396 2.636 -8.498 1.00 73.11 H new ATOM 0 HA ALA A 613 -2.619 2.716 -6.458 1.00 64.13 H new ATOM 0 HB1 ALA A 613 -1.665 4.782 -5.502 1.00 22.14 H new ATOM 0 HB2 ALA A 613 -1.103 4.475 -7.163 1.00 22.14 H new ATOM 0 HB3 ALA A 613 -2.349 5.709 -6.858 1.00 22.14 H new ATOM 502 N TYR A 614 -3.926 3.965 -4.497 1.00 23.13 N ATOM 503 CA TYR A 614 -4.903 4.219 -3.443 1.00 1.20 C ATOM 504 C TYR A 614 -4.765 5.596 -2.882 1.00 32.20 C ATOM 505 O TYR A 614 -3.667 6.153 -2.835 1.00 35.42 O ATOM 506 CB TYR A 614 -4.730 3.219 -2.300 1.00 55.41 C ATOM 507 CG TYR A 614 -5.108 1.836 -2.668 1.00 61.03 C ATOM 508 CD1 TYR A 614 -4.305 1.091 -3.495 1.00 1.51 C ATOM 509 CD2 TYR A 614 -6.290 1.280 -2.216 1.00 32.24 C ATOM 510 CE1 TYR A 614 -4.652 -0.160 -3.861 1.00 53.35 C ATOM 511 CE2 TYR A 614 -6.656 0.019 -2.584 1.00 61.03 C ATOM 512 CZ TYR A 614 -5.836 -0.703 -3.406 1.00 63.14 C ATOM 513 OH TYR A 614 -6.201 -1.955 -3.799 1.00 15.31 O ATOM 0 H TYR A 614 -2.979 3.820 -4.148 1.00 23.13 H new ATOM 0 HA TYR A 614 -5.889 4.113 -3.895 1.00 1.20 H new ATOM 0 HB2 TYR A 614 -3.690 3.229 -1.972 1.00 55.41 H new ATOM 0 HB3 TYR A 614 -5.335 3.540 -1.452 1.00 55.41 H new ATOM 0 HD1 TYR A 614 -3.380 1.513 -3.859 1.00 1.51 H new ATOM 0 HD2 TYR A 614 -6.932 1.852 -1.563 1.00 32.24 H new ATOM 0 HE1 TYR A 614 -4.005 -0.734 -4.508 1.00 53.35 H new ATOM 0 HE2 TYR A 614 -7.584 -0.405 -2.230 1.00 61.03 H new ATOM 0 HH TYR A 614 -5.399 -2.492 -3.967 1.00 15.31 H new ATOM 523 N LYS A 615 -5.864 6.145 -2.472 1.00 75.04 N ATOM 524 CA LYS A 615 -5.893 7.384 -1.817 1.00 52.14 C ATOM 525 C LYS A 615 -6.417 7.252 -0.417 1.00 21.51 C ATOM 526 O LYS A 615 -7.297 6.446 -0.136 1.00 74.11 O ATOM 527 CB LYS A 615 -6.726 8.362 -2.543 1.00 24.55 C ATOM 528 CG LYS A 615 -8.047 7.796 -2.986 1.00 21.04 C ATOM 529 CD LYS A 615 -9.053 8.867 -3.144 1.00 14.43 C ATOM 530 CE LYS A 615 -8.509 10.028 -3.951 1.00 63.14 C ATOM 531 NZ LYS A 615 -9.508 11.117 -4.121 1.00 52.54 N ATOM 0 H LYS A 615 -6.783 5.720 -2.594 1.00 75.04 H new ATOM 0 HA LYS A 615 -4.863 7.740 -1.787 1.00 52.14 H new ATOM 0 HB2 LYS A 615 -6.904 9.226 -1.902 1.00 24.55 H new ATOM 0 HB3 LYS A 615 -6.179 8.719 -3.416 1.00 24.55 H new ATOM 0 HG2 LYS A 615 -7.922 7.267 -3.931 1.00 21.04 H new ATOM 0 HG3 LYS A 615 -8.398 7.067 -2.256 1.00 21.04 H new ATOM 0 HD2 LYS A 615 -9.939 8.465 -3.635 1.00 14.43 H new ATOM 0 HD3 LYS A 615 -9.366 9.221 -2.162 1.00 14.43 H new ATOM 0 HE2 LYS A 615 -7.622 10.426 -3.458 1.00 63.14 H new ATOM 0 HE3 LYS A 615 -8.195 9.670 -4.932 1.00 63.14 H new ATOM 0 HZ1 LYS A 615 -9.286 11.661 -4.979 1.00 52.54 H new ATOM 0 HZ2 LYS A 615 -10.459 10.705 -4.209 1.00 52.54 H new ATOM 0 HZ3 LYS A 615 -9.478 11.747 -3.294 1.00 52.54 H new ATOM 545 N VAL A 616 -5.856 8.020 0.423 1.00 23.31 N ATOM 546 CA VAL A 616 -6.249 8.130 1.804 1.00 64.33 C ATOM 547 C VAL A 616 -6.446 9.592 2.012 1.00 65.21 C ATOM 548 O VAL A 616 -5.519 10.369 1.819 1.00 53.35 O ATOM 549 CB VAL A 616 -5.143 7.650 2.780 1.00 24.43 C ATOM 550 CG1 VAL A 616 -5.647 7.652 4.220 1.00 24.13 C ATOM 551 CG2 VAL A 616 -4.587 6.294 2.389 1.00 14.11 C ATOM 0 H VAL A 616 -5.073 8.626 0.178 1.00 23.31 H new ATOM 0 HA VAL A 616 -7.128 7.517 2.000 1.00 64.33 H new ATOM 0 HB VAL A 616 -4.319 8.360 2.711 1.00 24.43 H new ATOM 0 HG11 VAL A 616 -4.853 7.311 4.884 1.00 24.13 H new ATOM 0 HG12 VAL A 616 -5.945 8.662 4.500 1.00 24.13 H new ATOM 0 HG13 VAL A 616 -6.504 6.984 4.307 1.00 24.13 H new ATOM 0 HG21 VAL A 616 -3.816 5.998 3.100 1.00 14.11 H new ATOM 0 HG22 VAL A 616 -5.389 5.556 2.396 1.00 14.11 H new ATOM 0 HG23 VAL A 616 -4.156 6.352 1.390 1.00 14.11 H new ATOM 557 N GLU A 617 -7.603 9.990 2.358 1.00 31.34 N ATOM 558 CA GLU A 617 -7.871 11.385 2.416 1.00 63.22 C ATOM 559 C GLU A 617 -8.182 11.823 3.813 1.00 14.22 C ATOM 560 O GLU A 617 -8.983 11.206 4.513 1.00 45.40 O ATOM 561 CB GLU A 617 -9.015 11.713 1.470 1.00 0.14 C ATOM 562 CG GLU A 617 -8.742 11.246 0.047 1.00 41.14 C ATOM 563 CD GLU A 617 -9.885 11.480 -0.882 1.00 20.32 C ATOM 564 OE1 GLU A 617 -10.898 10.765 -0.782 1.00 3.50 O ATOM 565 OE2 GLU A 617 -9.781 12.347 -1.756 1.00 31.02 O ATOM 0 H GLU A 617 -8.383 9.382 2.606 1.00 31.34 H new ATOM 0 HA GLU A 617 -6.980 11.931 2.104 1.00 63.22 H new ATOM 0 HB2 GLU A 617 -9.930 11.245 1.834 1.00 0.14 H new ATOM 0 HB3 GLU A 617 -9.186 12.790 1.470 1.00 0.14 H new ATOM 0 HG2 GLU A 617 -7.861 11.763 -0.335 1.00 41.14 H new ATOM 0 HG3 GLU A 617 -8.506 10.182 0.061 1.00 41.14 H new ATOM 572 N THR A 618 -7.534 12.861 4.218 1.00 50.34 N ATOM 573 CA THR A 618 -7.779 13.481 5.479 1.00 20.40 C ATOM 574 C THR A 618 -8.107 14.924 5.180 1.00 61.32 C ATOM 575 O THR A 618 -8.029 15.336 4.011 1.00 43.41 O ATOM 576 CB THR A 618 -6.531 13.401 6.424 1.00 13.25 C ATOM 577 OG1 THR A 618 -5.401 14.035 5.812 1.00 72.20 O ATOM 578 CG2 THR A 618 -6.172 11.958 6.748 1.00 62.11 C ATOM 0 H THR A 618 -6.802 13.314 3.671 1.00 50.34 H new ATOM 0 HA THR A 618 -8.592 12.972 5.998 1.00 20.40 H new ATOM 0 HB THR A 618 -6.790 13.916 7.349 1.00 13.25 H new ATOM 0 HG1 THR A 618 -5.197 13.591 4.962 1.00 72.20 H new ATOM 0 HG21 THR A 618 -5.303 11.938 7.405 1.00 62.11 H new ATOM 0 HG22 THR A 618 -7.014 11.477 7.246 1.00 62.11 H new ATOM 0 HG23 THR A 618 -5.942 11.424 5.826 1.00 62.11 H new ATOM 584 N ASP A 619 -8.458 15.694 6.176 1.00 54.33 N ATOM 585 CA ASP A 619 -8.747 17.105 5.945 1.00 4.31 C ATOM 586 C ASP A 619 -7.466 17.859 5.695 1.00 45.30 C ATOM 587 O ASP A 619 -7.462 18.926 5.077 1.00 53.35 O ATOM 588 CB ASP A 619 -9.515 17.737 7.114 1.00 73.41 C ATOM 589 CG ASP A 619 -10.891 17.151 7.290 1.00 34.22 C ATOM 590 OD1 ASP A 619 -11.822 17.574 6.573 1.00 42.05 O ATOM 591 OD2 ASP A 619 -11.071 16.252 8.146 1.00 35.40 O ATOM 0 H ASP A 619 -8.553 15.385 7.144 1.00 54.33 H new ATOM 0 HA ASP A 619 -9.386 17.170 5.065 1.00 4.31 H new ATOM 0 HB2 ASP A 619 -8.946 17.600 8.034 1.00 73.41 H new ATOM 0 HB3 ASP A 619 -9.600 18.811 6.949 1.00 73.41 H new ATOM 596 N LYS A 620 -6.380 17.272 6.155 1.00 33.13 N ATOM 597 CA LYS A 620 -5.062 17.850 6.052 1.00 45.50 C ATOM 598 C LYS A 620 -4.394 17.485 4.719 1.00 51.25 C ATOM 599 O LYS A 620 -4.051 18.366 3.916 1.00 52.31 O ATOM 600 CB LYS A 620 -4.192 17.340 7.216 1.00 11.15 C ATOM 601 CG LYS A 620 -4.755 17.643 8.599 1.00 35.22 C ATOM 602 CD LYS A 620 -3.936 16.984 9.717 1.00 44.45 C ATOM 603 CE LYS A 620 -2.512 17.510 9.804 1.00 64.15 C ATOM 604 NZ LYS A 620 -1.739 16.829 10.874 1.00 33.31 N ATOM 0 H LYS A 620 -6.392 16.364 6.619 1.00 33.13 H new ATOM 0 HA LYS A 620 -5.159 18.935 6.098 1.00 45.50 H new ATOM 0 HB2 LYS A 620 -4.067 16.262 7.116 1.00 11.15 H new ATOM 0 HB3 LYS A 620 -3.200 17.785 7.135 1.00 11.15 H new ATOM 0 HG2 LYS A 620 -4.774 18.722 8.753 1.00 35.22 H new ATOM 0 HG3 LYS A 620 -5.787 17.295 8.653 1.00 35.22 H new ATOM 0 HD2 LYS A 620 -4.437 17.149 10.671 1.00 44.45 H new ATOM 0 HD3 LYS A 620 -3.909 15.907 9.553 1.00 44.45 H new ATOM 0 HE2 LYS A 620 -2.012 17.366 8.846 1.00 64.15 H new ATOM 0 HE3 LYS A 620 -2.531 18.583 9.996 1.00 64.15 H new ATOM 0 HZ1 LYS A 620 -0.773 17.214 10.903 1.00 33.31 H new ATOM 0 HZ2 LYS A 620 -2.203 16.987 11.791 1.00 33.31 H new ATOM 0 HZ3 LYS A 620 -1.699 15.808 10.678 1.00 33.31 H new ATOM 618 N TYR A 621 -4.217 16.188 4.475 1.00 34.32 N ATOM 619 CA TYR A 621 -3.466 15.732 3.305 1.00 40.54 C ATOM 620 C TYR A 621 -4.171 14.572 2.605 1.00 62.01 C ATOM 621 O TYR A 621 -4.999 13.866 3.205 1.00 3.31 O ATOM 622 CB TYR A 621 -2.077 15.202 3.742 1.00 71.21 C ATOM 623 CG TYR A 621 -1.280 16.110 4.653 1.00 63.42 C ATOM 624 CD1 TYR A 621 -0.643 17.225 4.169 1.00 24.24 C ATOM 625 CD2 TYR A 621 -1.170 15.832 6.009 1.00 72.31 C ATOM 626 CE1 TYR A 621 0.083 18.050 4.997 1.00 13.23 C ATOM 627 CE2 TYR A 621 -0.445 16.649 6.846 1.00 73.01 C ATOM 628 CZ TYR A 621 0.180 17.762 6.328 1.00 4.34 C ATOM 629 OH TYR A 621 0.905 18.593 7.149 1.00 44.23 O ATOM 0 H TYR A 621 -4.579 15.439 5.065 1.00 34.32 H new ATOM 0 HA TYR A 621 -3.381 16.585 2.632 1.00 40.54 H new ATOM 0 HB2 TYR A 621 -2.217 14.246 4.246 1.00 71.21 H new ATOM 0 HB3 TYR A 621 -1.486 15.007 2.847 1.00 71.21 H new ATOM 0 HD1 TYR A 621 -0.713 17.460 3.117 1.00 24.24 H new ATOM 0 HD2 TYR A 621 -1.662 14.960 6.414 1.00 72.31 H new ATOM 0 HE1 TYR A 621 0.575 18.923 4.595 1.00 13.23 H new ATOM 0 HE2 TYR A 621 -0.367 16.420 7.899 1.00 73.01 H new ATOM 0 HH TYR A 621 0.877 18.252 8.067 1.00 44.23 H new ATOM 639 N GLU A 622 -3.853 14.393 1.346 1.00 60.50 N ATOM 640 CA GLU A 622 -4.230 13.212 0.620 1.00 74.34 C ATOM 641 C GLU A 622 -3.016 12.353 0.569 1.00 42.11 C ATOM 642 O GLU A 622 -1.964 12.821 0.168 1.00 21.23 O ATOM 643 CB GLU A 622 -4.571 13.507 -0.834 1.00 51.21 C ATOM 644 CG GLU A 622 -5.787 14.330 -1.110 1.00 65.34 C ATOM 645 CD GLU A 622 -5.978 14.469 -2.603 1.00 53.01 C ATOM 646 OE1 GLU A 622 -6.106 13.425 -3.292 1.00 14.12 O ATOM 647 OE2 GLU A 622 -6.000 15.607 -3.112 1.00 20.43 O ATOM 0 H GLU A 622 -3.322 15.068 0.796 1.00 60.50 H new ATOM 0 HA GLU A 622 -5.096 12.767 1.111 1.00 74.34 H new ATOM 0 HB2 GLU A 622 -3.716 14.012 -1.283 1.00 51.21 H new ATOM 0 HB3 GLU A 622 -4.687 12.554 -1.351 1.00 51.21 H new ATOM 0 HG2 GLU A 622 -6.664 13.862 -0.663 1.00 65.34 H new ATOM 0 HG3 GLU A 622 -5.683 15.314 -0.653 1.00 65.34 H new ATOM 654 N PHE A 623 -3.134 11.135 0.926 1.00 43.21 N ATOM 655 CA PHE A 623 -2.012 10.252 0.835 1.00 73.04 C ATOM 656 C PHE A 623 -2.295 9.288 -0.270 1.00 74.31 C ATOM 657 O PHE A 623 -3.343 8.672 -0.295 1.00 31.24 O ATOM 658 CB PHE A 623 -1.790 9.498 2.152 1.00 72.22 C ATOM 659 CG PHE A 623 -1.628 10.390 3.354 1.00 63.02 C ATOM 660 CD1 PHE A 623 -2.738 10.825 4.068 1.00 52.02 C ATOM 661 CD2 PHE A 623 -0.374 10.796 3.765 1.00 53.24 C ATOM 662 CE1 PHE A 623 -2.593 11.643 5.165 1.00 75.13 C ATOM 663 CE2 PHE A 623 -0.224 11.615 4.865 1.00 25.41 C ATOM 664 CZ PHE A 623 -1.334 12.041 5.564 1.00 32.41 C ATOM 0 H PHE A 623 -3.990 10.714 1.286 1.00 43.21 H new ATOM 0 HA PHE A 623 -1.104 10.821 0.635 1.00 73.04 H new ATOM 0 HB2 PHE A 623 -2.634 8.829 2.321 1.00 72.22 H new ATOM 0 HB3 PHE A 623 -0.902 8.873 2.055 1.00 72.22 H new ATOM 0 HD1 PHE A 623 -3.726 10.518 3.758 1.00 52.02 H new ATOM 0 HD2 PHE A 623 0.499 10.469 3.220 1.00 53.24 H new ATOM 0 HE1 PHE A 623 -3.463 11.973 5.713 1.00 75.13 H new ATOM 0 HE2 PHE A 623 0.763 11.923 5.179 1.00 25.41 H new ATOM 0 HZ PHE A 623 -1.218 12.685 6.423 1.00 32.41 H new ATOM 674 N HIS A 624 -1.419 9.195 -1.205 1.00 1.21 N ATOM 675 CA HIS A 624 -1.597 8.269 -2.274 1.00 44.04 C ATOM 676 C HIS A 624 -0.539 7.216 -2.178 1.00 34.13 C ATOM 677 O HIS A 624 0.658 7.515 -2.212 1.00 23.11 O ATOM 678 CB HIS A 624 -1.628 8.967 -3.644 1.00 15.15 C ATOM 679 CG HIS A 624 -2.844 9.859 -3.853 1.00 4.04 C ATOM 680 ND1 HIS A 624 -3.901 9.508 -4.662 1.00 14.14 N ATOM 681 CD2 HIS A 624 -3.161 11.095 -3.356 1.00 52.42 C ATOM 682 CE1 HIS A 624 -4.805 10.466 -4.659 1.00 52.12 C ATOM 683 NE2 HIS A 624 -4.387 11.439 -3.881 1.00 21.23 N ATOM 0 H HIS A 624 -0.565 9.751 -1.255 1.00 1.21 H new ATOM 0 HA HIS A 624 -2.572 7.790 -2.182 1.00 44.04 H new ATOM 0 HB2 HIS A 624 -0.725 9.568 -3.756 1.00 15.15 H new ATOM 0 HB3 HIS A 624 -1.606 8.210 -4.428 1.00 15.15 H new ATOM 0 HD2 HIS A 624 -2.563 11.688 -2.680 1.00 52.42 H new ATOM 0 HE1 HIS A 624 -5.736 10.454 -5.206 1.00 52.12 H new ATOM 0 HE2 HIS A 624 -4.889 12.308 -3.696 1.00 21.23 H new ATOM 692 N ILE A 625 -0.984 5.994 -2.025 1.00 32.35 N ATOM 693 CA ILE A 625 -0.116 4.865 -1.763 1.00 14.34 C ATOM 694 C ILE A 625 -0.469 3.757 -2.729 1.00 52.41 C ATOM 695 O ILE A 625 -1.599 3.678 -3.190 1.00 61.31 O ATOM 696 CB ILE A 625 -0.375 4.327 -0.327 1.00 43.33 C ATOM 697 CG1 ILE A 625 -0.325 5.460 0.689 1.00 22.20 C ATOM 698 CG2 ILE A 625 0.642 3.246 0.045 1.00 51.23 C ATOM 699 CD1 ILE A 625 -0.635 5.021 2.086 1.00 23.43 C ATOM 0 H ILE A 625 -1.972 5.748 -2.079 1.00 32.35 H new ATOM 0 HA ILE A 625 0.923 5.176 -1.871 1.00 14.34 H new ATOM 0 HB ILE A 625 -1.371 3.885 -0.312 1.00 43.33 H new ATOM 0 HG12 ILE A 625 0.667 5.912 0.670 1.00 22.20 H new ATOM 0 HG13 ILE A 625 -1.033 6.234 0.394 1.00 22.20 H new ATOM 0 HG21 ILE A 625 0.439 2.887 1.054 1.00 51.23 H new ATOM 0 HG22 ILE A 625 0.565 2.417 -0.658 1.00 51.23 H new ATOM 0 HG23 ILE A 625 1.648 3.664 0.005 1.00 51.23 H new ATOM 0 HD11 ILE A 625 -0.581 5.878 2.757 1.00 23.43 H new ATOM 0 HD12 ILE A 625 -1.638 4.596 2.120 1.00 23.43 H new ATOM 0 HD13 ILE A 625 0.088 4.269 2.400 1.00 23.43 H new ATOM 706 N ASN A 626 0.469 2.929 -3.046 1.00 23.32 N ATOM 707 CA ASN A 626 0.210 1.813 -3.896 1.00 62.11 C ATOM 708 C ASN A 626 0.996 0.656 -3.356 1.00 62.22 C ATOM 709 O ASN A 626 1.976 0.868 -2.690 1.00 63.10 O ATOM 710 CB ASN A 626 0.560 2.145 -5.343 1.00 21.23 C ATOM 711 CG ASN A 626 0.022 1.144 -6.323 1.00 13.34 C ATOM 712 OD1 ASN A 626 -0.957 0.422 -6.042 1.00 72.25 O ATOM 713 ND2 ASN A 626 0.573 1.143 -7.494 1.00 21.43 N ATOM 0 H ASN A 626 1.434 3.005 -2.725 1.00 23.32 H new ATOM 0 HA ASN A 626 -0.849 1.555 -3.904 1.00 62.11 H new ATOM 0 HB2 ASN A 626 0.168 3.132 -5.588 1.00 21.23 H new ATOM 0 HB3 ASN A 626 1.644 2.199 -5.445 1.00 21.23 H new ATOM 0 HD21 ASN A 626 0.208 0.537 -8.229 1.00 21.43 H new ATOM 0 HD22 ASN A 626 1.372 1.749 -7.682 1.00 21.43 H new ATOM 719 N VAL A 627 0.540 -0.540 -3.584 1.00 60.52 N ATOM 720 CA VAL A 627 1.168 -1.734 -3.007 1.00 31.34 C ATOM 721 C VAL A 627 2.543 -2.030 -3.625 1.00 53.13 C ATOM 722 O VAL A 627 3.461 -2.518 -2.968 1.00 33.01 O ATOM 723 CB VAL A 627 0.225 -2.953 -3.149 1.00 35.34 C ATOM 724 CG1 VAL A 627 0.850 -4.241 -2.615 1.00 33.21 C ATOM 725 CG2 VAL A 627 -1.071 -2.665 -2.437 1.00 71.42 C ATOM 0 H VAL A 627 -0.272 -0.735 -4.169 1.00 60.52 H new ATOM 0 HA VAL A 627 1.338 -1.535 -1.949 1.00 31.34 H new ATOM 0 HB VAL A 627 0.041 -3.111 -4.212 1.00 35.34 H new ATOM 0 HG11 VAL A 627 0.147 -5.065 -2.739 1.00 33.21 H new ATOM 0 HG12 VAL A 627 1.764 -4.458 -3.167 1.00 33.21 H new ATOM 0 HG13 VAL A 627 1.085 -4.120 -1.558 1.00 33.21 H new ATOM 0 HG21 VAL A 627 -1.738 -3.522 -2.535 1.00 71.42 H new ATOM 0 HG22 VAL A 627 -0.873 -2.478 -1.382 1.00 71.42 H new ATOM 0 HG23 VAL A 627 -1.541 -1.787 -2.879 1.00 71.42 H new ATOM 731 N CYS A 628 2.656 -1.706 -4.852 1.00 13.33 N ATOM 732 CA CYS A 628 3.842 -1.938 -5.628 1.00 20.31 C ATOM 733 C CYS A 628 4.019 -0.829 -6.619 1.00 14.32 C ATOM 734 O CYS A 628 3.034 -0.313 -7.158 1.00 41.14 O ATOM 735 CB CYS A 628 3.740 -3.244 -6.415 1.00 52.23 C ATOM 736 SG CYS A 628 3.620 -4.771 -5.445 1.00 13.14 S ATOM 0 H CYS A 628 1.908 -1.255 -5.378 1.00 13.33 H new ATOM 0 HA CYS A 628 4.683 -1.989 -4.937 1.00 20.31 H new ATOM 0 HB2 CYS A 628 2.866 -3.183 -7.064 1.00 52.23 H new ATOM 0 HB3 CYS A 628 4.613 -3.320 -7.063 1.00 52.23 H new ATOM 741 N GLY A 629 5.246 -0.469 -6.863 1.00 0.30 N ATOM 742 CA GLY A 629 5.542 0.485 -7.880 1.00 22.01 C ATOM 743 C GLY A 629 5.200 1.890 -7.474 1.00 4.55 C ATOM 744 O GLY A 629 5.225 2.217 -6.287 1.00 33.43 O ATOM 0 H GLY A 629 6.060 -0.828 -6.364 1.00 0.30 H new ATOM 0 HA2 GLY A 629 6.602 0.430 -8.126 1.00 22.01 H new ATOM 0 HA3 GLY A 629 4.991 0.228 -8.785 1.00 22.01 H new ATOM 748 N PRO A 630 4.894 2.752 -8.438 1.00 11.30 N ATOM 749 CA PRO A 630 4.575 4.122 -8.172 1.00 21.52 C ATOM 750 C PRO A 630 3.097 4.341 -7.937 1.00 75.21 C ATOM 751 O PRO A 630 2.258 3.435 -8.140 1.00 72.14 O ATOM 752 CB PRO A 630 5.005 4.848 -9.464 1.00 52.35 C ATOM 753 CG PRO A 630 5.273 3.768 -10.482 1.00 45.45 C ATOM 754 CD PRO A 630 4.850 2.464 -9.865 1.00 74.21 C ATOM 0 HA PRO A 630 5.070 4.478 -7.269 1.00 21.52 H new ATOM 0 HB2 PRO A 630 4.223 5.524 -9.810 1.00 52.35 H new ATOM 0 HB3 PRO A 630 5.896 5.452 -9.293 1.00 52.35 H new ATOM 0 HG2 PRO A 630 4.717 3.958 -11.400 1.00 45.45 H new ATOM 0 HG3 PRO A 630 6.330 3.743 -10.748 1.00 45.45 H new ATOM 0 HD2 PRO A 630 3.851 2.169 -10.187 1.00 74.21 H new ATOM 0 HD3 PRO A 630 5.525 1.651 -10.135 1.00 74.21 H new ATOM 762 N VAL A 631 2.777 5.531 -7.535 1.00 60.15 N ATOM 763 CA VAL A 631 1.415 5.933 -7.364 1.00 62.41 C ATOM 764 C VAL A 631 1.063 6.905 -8.447 1.00 25.24 C ATOM 765 O VAL A 631 1.881 7.752 -8.821 1.00 50.30 O ATOM 766 CB VAL A 631 1.149 6.603 -5.977 1.00 54.11 C ATOM 767 CG1 VAL A 631 1.419 5.641 -4.876 1.00 64.14 C ATOM 768 CG2 VAL A 631 1.983 7.867 -5.771 1.00 43.41 C ATOM 0 H VAL A 631 3.459 6.257 -7.314 1.00 60.15 H new ATOM 0 HA VAL A 631 0.799 5.035 -7.414 1.00 62.41 H new ATOM 0 HB VAL A 631 0.099 6.894 -5.963 1.00 54.11 H new ATOM 0 HG11 VAL A 631 1.229 6.123 -3.917 1.00 64.14 H new ATOM 0 HG12 VAL A 631 0.767 4.774 -4.982 1.00 64.14 H new ATOM 0 HG13 VAL A 631 2.460 5.320 -4.921 1.00 64.14 H new ATOM 0 HG21 VAL A 631 1.761 8.294 -4.793 1.00 43.41 H new ATOM 0 HG22 VAL A 631 3.042 7.617 -5.826 1.00 43.41 H new ATOM 0 HG23 VAL A 631 1.741 8.593 -6.547 1.00 43.41 H new ATOM 774 N SER A 632 -0.109 6.778 -8.994 1.00 3.23 N ATOM 775 CA SER A 632 -0.506 7.724 -9.984 1.00 41.44 C ATOM 776 C SER A 632 -1.162 8.890 -9.255 1.00 51.23 C ATOM 777 O SER A 632 -2.103 8.690 -8.478 1.00 45.41 O ATOM 778 CB SER A 632 -1.492 7.065 -10.960 1.00 35.14 C ATOM 779 OG SER A 632 -1.762 7.896 -12.079 1.00 52.32 O ATOM 0 H SER A 632 -0.788 6.049 -8.778 1.00 3.23 H new ATOM 0 HA SER A 632 0.348 8.076 -10.562 1.00 41.44 H new ATOM 0 HB2 SER A 632 -1.083 6.115 -11.303 1.00 35.14 H new ATOM 0 HB3 SER A 632 -2.424 6.842 -10.440 1.00 35.14 H new ATOM 0 HG SER A 632 -2.391 7.443 -12.678 1.00 52.32 H new ATOM 785 N VAL A 633 -0.665 10.098 -9.493 1.00 71.05 N ATOM 786 CA VAL A 633 -1.189 11.322 -8.871 1.00 3.24 C ATOM 787 C VAL A 633 -0.888 12.476 -9.799 1.00 33.35 C ATOM 788 O VAL A 633 0.222 12.554 -10.345 1.00 62.33 O ATOM 789 CB VAL A 633 -0.497 11.663 -7.496 1.00 4.24 C ATOM 790 CG1 VAL A 633 -1.159 12.861 -6.828 1.00 21.13 C ATOM 791 CG2 VAL A 633 -0.460 10.490 -6.544 1.00 71.53 C ATOM 0 H VAL A 633 0.118 10.264 -10.126 1.00 71.05 H new ATOM 0 HA VAL A 633 -2.253 11.165 -8.694 1.00 3.24 H new ATOM 0 HB VAL A 633 0.536 11.914 -7.735 1.00 4.24 H new ATOM 0 HG11 VAL A 633 -0.660 13.072 -5.882 1.00 21.13 H new ATOM 0 HG12 VAL A 633 -1.082 13.730 -7.481 1.00 21.13 H new ATOM 0 HG13 VAL A 633 -2.210 12.639 -6.642 1.00 21.13 H new ATOM 0 HG21 VAL A 633 0.028 10.789 -5.617 1.00 71.53 H new ATOM 0 HG22 VAL A 633 -1.478 10.164 -6.329 1.00 71.53 H new ATOM 0 HG23 VAL A 633 0.096 9.670 -6.999 1.00 71.53 H new ATOM 797 N GLY A 634 -1.821 13.387 -9.949 1.00 4.45 N ATOM 798 CA GLY A 634 -1.610 14.530 -10.809 1.00 52.02 C ATOM 799 C GLY A 634 -0.947 15.676 -10.068 1.00 55.13 C ATOM 800 O GLY A 634 -1.356 16.831 -10.209 1.00 15.42 O ATOM 0 H GLY A 634 -2.731 13.360 -9.489 1.00 4.45 H new ATOM 0 HA2 GLY A 634 -0.990 14.238 -11.657 1.00 52.02 H new ATOM 0 HA3 GLY A 634 -2.566 14.863 -11.213 1.00 52.02 H new ATOM 804 N ALA A 635 0.060 15.343 -9.259 1.00 54.43 N ATOM 805 CA ALA A 635 0.813 16.321 -8.466 1.00 40.32 C ATOM 806 C ALA A 635 2.068 15.681 -7.867 1.00 42.33 C ATOM 807 O ALA A 635 2.713 16.261 -6.999 1.00 31.54 O ATOM 808 CB ALA A 635 -0.063 16.878 -7.341 1.00 34.21 C ATOM 0 H ALA A 635 0.379 14.382 -9.134 1.00 54.43 H new ATOM 0 HA ALA A 635 1.113 17.134 -9.127 1.00 40.32 H new ATOM 0 HB1 ALA A 635 0.508 17.603 -6.760 1.00 34.21 H new ATOM 0 HB2 ALA A 635 -0.939 17.365 -7.769 1.00 34.21 H new ATOM 0 HB3 ALA A 635 -0.383 16.063 -6.691 1.00 34.21 H new ATOM 814 N CYS A 636 2.434 14.511 -8.357 1.00 74.31 N ATOM 815 CA CYS A 636 3.573 13.778 -7.814 1.00 72.34 C ATOM 816 C CYS A 636 4.384 13.185 -8.960 1.00 54.44 C ATOM 817 O CYS A 636 3.843 13.002 -10.067 1.00 43.21 O ATOM 818 CB CYS A 636 3.081 12.654 -6.878 1.00 44.14 C ATOM 819 SG CYS A 636 2.068 13.232 -5.468 1.00 65.42 S ATOM 0 H CYS A 636 1.961 14.044 -9.131 1.00 74.31 H new ATOM 0 HA CYS A 636 4.201 14.460 -7.241 1.00 72.34 H new ATOM 0 HB2 CYS A 636 2.497 11.942 -7.461 1.00 44.14 H new ATOM 0 HB3 CYS A 636 3.946 12.115 -6.491 1.00 44.14 H new ATOM 824 N PRO A 637 5.689 12.896 -8.749 1.00 0.32 N ATOM 825 CA PRO A 637 6.525 12.299 -9.781 1.00 51.33 C ATOM 826 C PRO A 637 6.061 10.864 -10.097 1.00 53.35 C ATOM 827 O PRO A 637 5.604 10.150 -9.206 1.00 43.32 O ATOM 828 CB PRO A 637 7.930 12.291 -9.154 1.00 52.41 C ATOM 829 CG PRO A 637 7.689 12.301 -7.690 1.00 64.42 C ATOM 830 CD PRO A 637 6.449 13.118 -7.488 1.00 61.41 C ATOM 0 HA PRO A 637 6.486 12.844 -10.724 1.00 51.33 H new ATOM 0 HB2 PRO A 637 8.494 11.408 -9.457 1.00 52.41 H new ATOM 0 HB3 PRO A 637 8.508 13.161 -9.466 1.00 52.41 H new ATOM 0 HG2 PRO A 637 7.557 11.289 -7.308 1.00 64.42 H new ATOM 0 HG3 PRO A 637 8.535 12.735 -7.157 1.00 64.42 H new ATOM 0 HD2 PRO A 637 5.886 12.788 -6.615 1.00 61.41 H new ATOM 0 HD3 PRO A 637 6.681 14.172 -7.337 1.00 61.41 H new ATOM 838 N PRO A 638 6.193 10.409 -11.358 1.00 55.05 N ATOM 839 CA PRO A 638 5.749 9.056 -11.782 1.00 0.41 C ATOM 840 C PRO A 638 6.608 7.918 -11.197 1.00 13.51 C ATOM 841 O PRO A 638 6.546 6.782 -11.669 1.00 60.33 O ATOM 842 CB PRO A 638 5.917 9.088 -13.315 1.00 74.32 C ATOM 843 CG PRO A 638 6.097 10.526 -13.663 1.00 71.14 C ATOM 844 CD PRO A 638 6.763 11.155 -12.484 1.00 15.21 C ATOM 0 HA PRO A 638 4.735 8.853 -11.437 1.00 0.41 H new ATOM 0 HB2 PRO A 638 6.778 8.497 -13.628 1.00 74.32 H new ATOM 0 HB3 PRO A 638 5.044 8.669 -13.815 1.00 74.32 H new ATOM 0 HG2 PRO A 638 6.706 10.637 -14.560 1.00 71.14 H new ATOM 0 HG3 PRO A 638 5.138 11.001 -13.868 1.00 71.14 H new ATOM 0 HD2 PRO A 638 7.847 11.054 -12.530 1.00 15.21 H new ATOM 0 HD3 PRO A 638 6.545 12.221 -12.416 1.00 15.21 H new ATOM 852 N ASP A 639 7.381 8.225 -10.175 1.00 21.44 N ATOM 853 CA ASP A 639 8.259 7.263 -9.540 1.00 52.41 C ATOM 854 C ASP A 639 8.080 7.276 -8.014 1.00 35.01 C ATOM 855 O ASP A 639 8.699 6.491 -7.287 1.00 74.24 O ATOM 856 CB ASP A 639 9.719 7.527 -9.943 1.00 40.23 C ATOM 857 CG ASP A 639 10.703 6.532 -9.355 1.00 75.14 C ATOM 858 OD1 ASP A 639 10.792 5.375 -9.861 1.00 11.24 O ATOM 859 OD2 ASP A 639 11.426 6.900 -8.409 1.00 70.33 O ATOM 0 H ASP A 639 7.418 9.156 -9.759 1.00 21.44 H new ATOM 0 HA ASP A 639 7.990 6.265 -9.886 1.00 52.41 H new ATOM 0 HB2 ASP A 639 9.797 7.503 -11.030 1.00 40.23 H new ATOM 0 HB3 ASP A 639 9.998 8.532 -9.626 1.00 40.23 H new ATOM 864 N SER A 640 7.227 8.147 -7.514 1.00 45.45 N ATOM 865 CA SER A 640 6.951 8.137 -6.099 1.00 44.21 C ATOM 866 C SER A 640 5.962 7.028 -5.813 1.00 33.32 C ATOM 867 O SER A 640 4.917 6.953 -6.458 1.00 23.44 O ATOM 868 CB SER A 640 6.426 9.502 -5.623 1.00 64.11 C ATOM 869 OG SER A 640 5.305 9.932 -6.380 1.00 31.32 O ATOM 0 H SER A 640 6.726 8.853 -8.053 1.00 45.45 H new ATOM 0 HA SER A 640 7.872 7.952 -5.546 1.00 44.21 H new ATOM 0 HB2 SER A 640 6.150 9.438 -4.570 1.00 64.11 H new ATOM 0 HB3 SER A 640 7.221 10.243 -5.699 1.00 64.11 H new ATOM 0 HG SER A 640 5.581 10.102 -7.305 1.00 31.32 H new ATOM 875 N GLY A 641 6.294 6.164 -4.884 1.00 20.30 N ATOM 876 CA GLY A 641 5.427 5.052 -4.579 1.00 32.31 C ATOM 877 C GLY A 641 4.528 5.348 -3.398 1.00 71.42 C ATOM 878 O GLY A 641 3.660 4.554 -3.035 1.00 34.13 O ATOM 0 H GLY A 641 7.150 6.208 -4.331 1.00 20.30 H new ATOM 0 HA2 GLY A 641 4.816 4.817 -5.451 1.00 32.31 H new ATOM 0 HA3 GLY A 641 6.030 4.169 -4.365 1.00 32.31 H new ATOM 882 N ALA A 642 4.757 6.489 -2.790 1.00 64.33 N ATOM 883 CA ALA A 642 3.917 7.019 -1.749 1.00 75.51 C ATOM 884 C ALA A 642 4.037 8.536 -1.798 1.00 33.52 C ATOM 885 O ALA A 642 5.140 9.068 -1.722 1.00 43.45 O ATOM 886 CB ALA A 642 4.351 6.489 -0.389 1.00 24.34 C ATOM 0 H ALA A 642 5.553 7.086 -3.013 1.00 64.33 H new ATOM 0 HA ALA A 642 2.882 6.713 -1.899 1.00 75.51 H new ATOM 0 HB1 ALA A 642 3.704 6.901 0.385 1.00 24.34 H new ATOM 0 HB2 ALA A 642 4.278 5.401 -0.382 1.00 24.34 H new ATOM 0 HB3 ALA A 642 5.382 6.785 -0.195 1.00 24.34 H new ATOM 892 N CYS A 643 2.935 9.232 -1.942 1.00 55.34 N ATOM 893 CA CYS A 643 2.984 10.692 -2.071 1.00 34.52 C ATOM 894 C CYS A 643 1.785 11.354 -1.397 1.00 62.23 C ATOM 895 O CYS A 643 0.656 10.879 -1.530 1.00 53.20 O ATOM 896 CB CYS A 643 3.051 11.090 -3.550 1.00 24.10 C ATOM 897 SG CYS A 643 3.237 12.883 -3.850 1.00 54.13 S ATOM 0 H CYS A 643 1.998 8.830 -1.974 1.00 55.34 H new ATOM 0 HA CYS A 643 3.884 11.043 -1.566 1.00 34.52 H new ATOM 0 HB2 CYS A 643 3.888 10.569 -4.015 1.00 24.10 H new ATOM 0 HB3 CYS A 643 2.144 10.744 -4.047 1.00 24.10 H new ATOM 902 N GLN A 644 2.034 12.428 -0.662 1.00 34.15 N ATOM 903 CA GLN A 644 0.978 13.150 0.006 1.00 33.43 C ATOM 904 C GLN A 644 0.821 14.538 -0.576 1.00 71.02 C ATOM 905 O GLN A 644 1.803 15.275 -0.754 1.00 54.13 O ATOM 906 CB GLN A 644 1.160 13.221 1.543 1.00 72.24 C ATOM 907 CG GLN A 644 2.446 13.880 2.021 1.00 62.12 C ATOM 908 CD GLN A 644 2.498 14.034 3.536 1.00 61.44 C ATOM 909 OE1 GLN A 644 1.481 14.181 4.190 1.00 62.23 O ATOM 910 NE2 GLN A 644 3.682 14.014 4.099 1.00 25.02 N ATOM 0 H GLN A 644 2.966 12.815 -0.517 1.00 34.15 H new ATOM 0 HA GLN A 644 0.064 12.583 -0.171 1.00 33.43 H new ATOM 0 HB2 GLN A 644 0.315 13.764 1.967 1.00 72.24 H new ATOM 0 HB3 GLN A 644 1.121 12.208 1.943 1.00 72.24 H new ATOM 0 HG2 GLN A 644 3.298 13.287 1.690 1.00 62.12 H new ATOM 0 HG3 GLN A 644 2.541 14.861 1.556 1.00 62.12 H new ATOM 0 HE21 GLN A 644 4.517 13.889 3.526 1.00 25.02 H new ATOM 0 HE22 GLN A 644 3.768 14.123 5.109 1.00 25.02 H new ATOM 918 N VAL A 645 -0.393 14.877 -0.884 1.00 24.05 N ATOM 919 CA VAL A 645 -0.724 16.168 -1.417 1.00 73.11 C ATOM 920 C VAL A 645 -1.564 16.884 -0.381 1.00 30.13 C ATOM 921 O VAL A 645 -2.634 16.407 -0.002 1.00 42.51 O ATOM 922 CB VAL A 645 -1.519 16.060 -2.748 1.00 5.22 C ATOM 923 CG1 VAL A 645 -1.789 17.443 -3.332 1.00 50.31 C ATOM 924 CG2 VAL A 645 -0.775 15.191 -3.754 1.00 73.14 C ATOM 0 H VAL A 645 -1.195 14.257 -0.772 1.00 24.05 H new ATOM 0 HA VAL A 645 0.194 16.713 -1.636 1.00 73.11 H new ATOM 0 HB VAL A 645 -2.477 15.588 -2.531 1.00 5.22 H new ATOM 0 HG11 VAL A 645 -2.347 17.342 -4.263 1.00 50.31 H new ATOM 0 HG12 VAL A 645 -2.371 18.030 -2.622 1.00 50.31 H new ATOM 0 HG13 VAL A 645 -0.842 17.946 -3.529 1.00 50.31 H new ATOM 0 HG21 VAL A 645 -1.350 15.130 -4.678 1.00 73.14 H new ATOM 0 HG22 VAL A 645 0.201 15.630 -3.963 1.00 73.14 H new ATOM 0 HG23 VAL A 645 -0.642 14.190 -3.342 1.00 73.14 H new ATOM 930 N SER A 646 -1.085 17.994 0.084 1.00 55.33 N ATOM 931 CA SER A 646 -1.742 18.719 1.128 1.00 3.45 C ATOM 932 C SER A 646 -2.947 19.483 0.604 1.00 11.20 C ATOM 933 O SER A 646 -2.913 20.061 -0.485 1.00 74.41 O ATOM 934 CB SER A 646 -0.751 19.676 1.796 1.00 32.33 C ATOM 935 OG SER A 646 -1.354 20.392 2.860 1.00 72.53 O ATOM 0 H SER A 646 -0.224 18.426 -0.250 1.00 55.33 H new ATOM 0 HA SER A 646 -2.104 18.002 1.865 1.00 3.45 H new ATOM 0 HB2 SER A 646 0.102 19.112 2.173 1.00 32.33 H new ATOM 0 HB3 SER A 646 -0.367 20.378 1.056 1.00 32.33 H new ATOM 0 HG SER A 646 -1.121 19.969 3.713 1.00 72.53 H new ATOM 941 N ARG A 647 -3.993 19.482 1.384 1.00 21.43 N ATOM 942 CA ARG A 647 -5.184 20.211 1.061 1.00 44.31 C ATOM 943 C ARG A 647 -5.196 21.492 1.883 1.00 13.32 C ATOM 944 O ARG A 647 -5.749 22.506 1.477 1.00 61.43 O ATOM 945 CB ARG A 647 -6.431 19.353 1.349 1.00 72.34 C ATOM 946 CG ARG A 647 -6.429 18.018 0.604 1.00 14.03 C ATOM 947 CD ARG A 647 -7.688 17.201 0.859 1.00 54.22 C ATOM 948 NE ARG A 647 -8.897 17.866 0.357 1.00 63.42 N ATOM 949 CZ ARG A 647 -10.017 17.243 -0.024 1.00 2.24 C ATOM 950 NH1 ARG A 647 -10.090 15.914 0.006 1.00 60.21 N ATOM 951 NH2 ARG A 647 -11.057 17.953 -0.439 1.00 41.10 N ATOM 0 H ARG A 647 -4.041 18.972 2.266 1.00 21.43 H new ATOM 0 HA ARG A 647 -5.199 20.460 0.000 1.00 44.31 H new ATOM 0 HB2 ARG A 647 -6.494 19.164 2.421 1.00 72.34 H new ATOM 0 HB3 ARG A 647 -7.323 19.915 1.072 1.00 72.34 H new ATOM 0 HG2 ARG A 647 -6.332 18.204 -0.466 1.00 14.03 H new ATOM 0 HG3 ARG A 647 -5.557 17.439 0.907 1.00 14.03 H new ATOM 0 HD2 ARG A 647 -7.588 16.226 0.382 1.00 54.22 H new ATOM 0 HD3 ARG A 647 -7.792 17.023 1.929 1.00 54.22 H new ATOM 0 HE ARG A 647 -8.881 18.884 0.294 1.00 63.42 H new ATOM 0 HH11 ARG A 647 -9.289 15.366 0.321 1.00 60.21 H new ATOM 0 HH12 ARG A 647 -10.947 15.444 -0.286 1.00 60.21 H new ATOM 0 HH21 ARG A 647 -11.001 18.971 -0.467 1.00 41.10 H new ATOM 0 HH22 ARG A 647 -11.913 17.481 -0.730 1.00 41.10 H new ATOM 963 N SER A 648 -4.552 21.435 3.040 1.00 11.41 N ATOM 964 CA SER A 648 -4.456 22.576 3.925 1.00 65.44 C ATOM 965 C SER A 648 -3.314 23.526 3.519 1.00 23.55 C ATOM 966 O SER A 648 -3.475 24.742 3.539 1.00 21.12 O ATOM 967 CB SER A 648 -4.239 22.086 5.353 1.00 34.45 C ATOM 968 OG SER A 648 -5.262 21.179 5.728 1.00 50.54 O ATOM 0 H SER A 648 -4.084 20.597 3.386 1.00 11.41 H new ATOM 0 HA SER A 648 -5.388 23.138 3.855 1.00 65.44 H new ATOM 0 HB2 SER A 648 -3.267 21.600 5.433 1.00 34.45 H new ATOM 0 HB3 SER A 648 -4.228 22.934 6.037 1.00 34.45 H new ATOM 0 HG SER A 648 -5.201 20.996 6.689 1.00 50.54 H new ATOM 974 N ASP A 649 -2.175 22.970 3.133 1.00 12.23 N ATOM 975 CA ASP A 649 -0.998 23.791 2.797 1.00 21.23 C ATOM 976 C ASP A 649 -0.773 23.816 1.309 1.00 74.32 C ATOM 977 O ASP A 649 0.054 24.576 0.811 1.00 32.13 O ATOM 978 CB ASP A 649 0.271 23.214 3.441 1.00 34.22 C ATOM 979 CG ASP A 649 0.193 23.069 4.936 1.00 12.15 C ATOM 980 OD1 ASP A 649 0.479 24.040 5.655 1.00 23.13 O ATOM 981 OD2 ASP A 649 -0.124 21.966 5.409 1.00 44.21 O ATOM 0 H ASP A 649 -2.031 21.964 3.042 1.00 12.23 H new ATOM 0 HA ASP A 649 -1.192 24.796 3.171 1.00 21.23 H new ATOM 0 HB2 ASP A 649 0.475 22.237 3.003 1.00 34.22 H new ATOM 0 HB3 ASP A 649 1.115 23.857 3.193 1.00 34.22 H new ATOM 986 N ARG A 650 -1.503 22.953 0.604 1.00 43.11 N ATOM 987 CA ARG A 650 -1.414 22.808 -0.868 1.00 32.25 C ATOM 988 C ARG A 650 0.012 22.473 -1.354 1.00 22.22 C ATOM 989 O ARG A 650 0.364 22.709 -2.518 1.00 23.32 O ATOM 990 CB ARG A 650 -1.960 24.053 -1.575 1.00 44.32 C ATOM 991 CG ARG A 650 -3.442 24.292 -1.337 1.00 33.41 C ATOM 992 CD ARG A 650 -4.272 23.117 -1.826 1.00 34.42 C ATOM 993 NE ARG A 650 -5.706 23.351 -1.669 1.00 52.13 N ATOM 994 CZ ARG A 650 -6.662 22.462 -1.967 1.00 23.35 C ATOM 995 NH1 ARG A 650 -6.338 21.238 -2.388 1.00 21.32 N ATOM 996 NH2 ARG A 650 -7.931 22.790 -1.832 1.00 3.13 N ATOM 0 H ARG A 650 -2.182 22.324 1.032 1.00 43.11 H new ATOM 0 HA ARG A 650 -2.038 21.955 -1.135 1.00 32.25 H new ATOM 0 HB2 ARG A 650 -1.402 24.926 -1.237 1.00 44.32 H new ATOM 0 HB3 ARG A 650 -1.784 23.958 -2.646 1.00 44.32 H new ATOM 0 HG2 ARG A 650 -3.622 24.450 -0.274 1.00 33.41 H new ATOM 0 HG3 ARG A 650 -3.754 25.201 -1.852 1.00 33.41 H new ATOM 0 HD2 ARG A 650 -4.049 22.929 -2.876 1.00 34.42 H new ATOM 0 HD3 ARG A 650 -3.989 22.220 -1.275 1.00 34.42 H new ATOM 0 HE ARG A 650 -6.000 24.258 -1.306 1.00 52.13 H new ATOM 0 HH11 ARG A 650 -5.357 20.975 -2.484 1.00 21.32 H new ATOM 0 HH12 ARG A 650 -7.071 20.566 -2.613 1.00 21.32 H new ATOM 0 HH21 ARG A 650 -8.185 23.721 -1.501 1.00 3.13 H new ATOM 0 HH22 ARG A 650 -8.660 22.113 -2.059 1.00 3.13 H new ATOM 1008 N LYS A 651 0.791 21.878 -0.475 1.00 24.03 N ATOM 1009 CA LYS A 651 2.129 21.425 -0.801 1.00 13.11 C ATOM 1010 C LYS A 651 2.085 19.951 -1.107 1.00 74.23 C ATOM 1011 O LYS A 651 1.057 19.304 -0.908 1.00 30.14 O ATOM 1012 CB LYS A 651 3.076 21.665 0.369 1.00 52.45 C ATOM 1013 CG LYS A 651 3.230 23.112 0.752 1.00 23.43 C ATOM 1014 CD LYS A 651 4.109 23.271 1.982 1.00 44.14 C ATOM 1015 CE LYS A 651 4.302 24.728 2.351 1.00 1.42 C ATOM 1016 NZ LYS A 651 5.168 24.898 3.537 1.00 62.23 N ATOM 0 H LYS A 651 0.514 21.694 0.489 1.00 24.03 H new ATOM 0 HA LYS A 651 2.491 21.982 -1.665 1.00 13.11 H new ATOM 0 HB2 LYS A 651 2.715 21.108 1.234 1.00 52.45 H new ATOM 0 HB3 LYS A 651 4.057 21.261 0.117 1.00 52.45 H new ATOM 0 HG2 LYS A 651 3.664 23.666 -0.081 1.00 23.43 H new ATOM 0 HG3 LYS A 651 2.249 23.545 0.946 1.00 23.43 H new ATOM 0 HD2 LYS A 651 3.660 22.740 2.821 1.00 44.14 H new ATOM 0 HD3 LYS A 651 5.080 22.811 1.797 1.00 44.14 H new ATOM 0 HE2 LYS A 651 4.739 25.259 1.506 1.00 1.42 H new ATOM 0 HE3 LYS A 651 3.331 25.183 2.545 1.00 1.42 H new ATOM 0 HZ1 LYS A 651 5.270 25.911 3.750 1.00 62.23 H new ATOM 0 HZ2 LYS A 651 4.740 24.414 4.352 1.00 62.23 H new ATOM 0 HZ3 LYS A 651 6.104 24.489 3.345 1.00 62.23 H new ATOM 1030 N SER A 652 3.166 19.425 -1.559 1.00 40.44 N ATOM 1031 CA SER A 652 3.236 18.016 -1.874 1.00 4.52 C ATOM 1032 C SER A 652 4.568 17.419 -1.428 1.00 52.31 C ATOM 1033 O SER A 652 5.618 18.082 -1.497 1.00 1.31 O ATOM 1034 CB SER A 652 2.955 17.789 -3.373 1.00 13.11 C ATOM 1035 OG SER A 652 3.762 18.637 -4.182 1.00 50.11 O ATOM 0 H SER A 652 4.030 19.942 -1.725 1.00 40.44 H new ATOM 0 HA SER A 652 2.461 17.489 -1.317 1.00 4.52 H new ATOM 0 HB2 SER A 652 3.148 16.747 -3.628 1.00 13.11 H new ATOM 0 HB3 SER A 652 1.902 17.978 -3.581 1.00 13.11 H new ATOM 0 HG SER A 652 3.565 18.471 -5.128 1.00 50.11 H new ATOM 1041 N TRP A 653 4.524 16.187 -0.940 1.00 41.32 N ATOM 1042 CA TRP A 653 5.714 15.501 -0.441 1.00 63.01 C ATOM 1043 C TRP A 653 5.663 14.057 -0.782 1.00 54.44 C ATOM 1044 O TRP A 653 4.601 13.468 -0.950 1.00 34.04 O ATOM 1045 CB TRP A 653 5.858 15.613 1.077 1.00 2.45 C ATOM 1046 CG TRP A 653 5.930 16.994 1.621 1.00 74.11 C ATOM 1047 CD1 TRP A 653 7.028 17.780 1.712 1.00 65.44 C ATOM 1048 CD2 TRP A 653 4.853 17.740 2.172 1.00 14.51 C ATOM 1049 NE1 TRP A 653 6.698 18.976 2.287 1.00 42.23 N ATOM 1050 CE2 TRP A 653 5.365 18.976 2.576 1.00 74.21 C ATOM 1051 CE3 TRP A 653 3.504 17.479 2.357 1.00 1.42 C ATOM 1052 CZ2 TRP A 653 4.569 19.949 3.159 1.00 21.44 C ATOM 1053 CZ3 TRP A 653 2.717 18.435 2.930 1.00 64.52 C ATOM 1054 CH2 TRP A 653 3.246 19.662 3.328 1.00 5.13 C ATOM 0 H TRP A 653 3.669 15.635 -0.878 1.00 41.32 H new ATOM 0 HA TRP A 653 6.566 15.987 -0.917 1.00 63.01 H new ATOM 0 HB2 TRP A 653 5.014 15.104 1.541 1.00 2.45 H new ATOM 0 HB3 TRP A 653 6.758 15.077 1.378 1.00 2.45 H new ATOM 0 HD1 TRP A 653 8.018 17.504 1.380 1.00 65.44 H new ATOM 0 HE1 TRP A 653 7.344 19.744 2.470 1.00 42.23 H new ATOM 0 HE3 TRP A 653 3.082 16.533 2.052 1.00 1.42 H new ATOM 0 HZ2 TRP A 653 4.980 20.899 3.468 1.00 21.44 H new ATOM 0 HZ3 TRP A 653 1.666 18.238 3.078 1.00 64.52 H new ATOM 0 HH2 TRP A 653 2.597 20.398 3.778 1.00 5.13 H new ATOM 1065 N ASN A 654 6.805 13.496 -0.826 1.00 4.40 N ATOM 1066 CA ASN A 654 6.997 12.138 -1.166 1.00 5.10 C ATOM 1067 C ASN A 654 7.209 11.374 0.138 1.00 64.10 C ATOM 1068 O ASN A 654 7.903 11.871 1.039 1.00 0.51 O ATOM 1069 CB ASN A 654 8.239 12.104 -2.039 1.00 74.32 C ATOM 1070 CG ASN A 654 8.506 10.821 -2.744 1.00 33.12 C ATOM 1071 OD1 ASN A 654 8.192 9.741 -2.274 1.00 72.35 O ATOM 1072 ND2 ASN A 654 9.072 10.958 -3.905 1.00 54.13 N ATOM 0 H ASN A 654 7.673 13.989 -0.617 1.00 4.40 H new ATOM 0 HA ASN A 654 6.158 11.690 -1.698 1.00 5.10 H new ATOM 0 HB2 ASN A 654 8.157 12.895 -2.784 1.00 74.32 H new ATOM 0 HB3 ASN A 654 9.103 12.341 -1.417 1.00 74.32 H new ATOM 0 HD21 ASN A 654 9.275 10.136 -4.473 1.00 54.13 H new ATOM 0 HD22 ASN A 654 9.313 11.888 -4.248 1.00 54.13 H new ATOM 1078 N LEU A 655 6.590 10.222 0.283 1.00 74.50 N ATOM 1079 CA LEU A 655 6.748 9.444 1.509 1.00 51.40 C ATOM 1080 C LEU A 655 7.473 8.166 1.223 1.00 41.42 C ATOM 1081 O LEU A 655 7.595 7.301 2.089 1.00 41.24 O ATOM 1082 CB LEU A 655 5.425 9.093 2.197 1.00 75.01 C ATOM 1083 CG LEU A 655 4.453 10.207 2.521 1.00 11.55 C ATOM 1084 CD1 LEU A 655 3.584 10.519 1.375 1.00 40.40 C ATOM 1085 CD2 LEU A 655 3.644 9.901 3.740 1.00 14.04 C ATOM 0 H LEU A 655 5.979 9.802 -0.418 1.00 74.50 H new ATOM 0 HA LEU A 655 7.315 10.084 2.185 1.00 51.40 H new ATOM 0 HB2 LEU A 655 4.904 8.375 1.564 1.00 75.01 H new ATOM 0 HB3 LEU A 655 5.664 8.582 3.130 1.00 75.01 H new ATOM 0 HG LEU A 655 5.049 11.094 2.737 1.00 11.55 H new ATOM 0 HD11 LEU A 655 2.900 11.323 1.646 1.00 40.40 H new ATOM 0 HD12 LEU A 655 4.196 10.832 0.529 1.00 40.40 H new ATOM 0 HD13 LEU A 655 3.012 9.633 1.100 1.00 40.40 H new ATOM 0 HD21 LEU A 655 2.959 10.725 3.938 1.00 14.04 H new ATOM 0 HD22 LEU A 655 3.074 8.986 3.578 1.00 14.04 H new ATOM 0 HD23 LEU A 655 4.308 9.768 4.594 1.00 14.04 H new ATOM 1093 N GLY A 656 7.935 8.029 0.021 1.00 33.34 N ATOM 1094 CA GLY A 656 8.652 6.871 -0.319 1.00 63.41 C ATOM 1095 C GLY A 656 8.655 6.621 -1.782 1.00 43.34 C ATOM 1096 O GLY A 656 7.661 6.859 -2.480 1.00 12.05 O ATOM 0 H GLY A 656 7.822 8.710 -0.730 1.00 33.34 H new ATOM 0 HA2 GLY A 656 9.679 6.965 0.034 1.00 63.41 H new ATOM 0 HA3 GLY A 656 8.217 6.013 0.193 1.00 63.41 H new ATOM 1100 N ARG A 657 9.744 6.139 -2.246 1.00 24.41 N ATOM 1101 CA ARG A 657 9.940 5.887 -3.626 1.00 13.12 C ATOM 1102 C ARG A 657 9.496 4.468 -3.947 1.00 62.45 C ATOM 1103 O ARG A 657 9.574 3.594 -3.089 1.00 2.21 O ATOM 1104 CB ARG A 657 11.396 6.129 -3.963 1.00 20.22 C ATOM 1105 CG ARG A 657 11.751 5.996 -5.418 1.00 32.34 C ATOM 1106 CD ARG A 657 13.146 6.507 -5.649 1.00 64.30 C ATOM 1107 NE ARG A 657 13.258 7.914 -5.226 1.00 24.10 N ATOM 1108 CZ ARG A 657 14.341 8.472 -4.680 1.00 22.32 C ATOM 1109 NH1 ARG A 657 15.467 7.778 -4.568 1.00 3.42 N ATOM 1110 NH2 ARG A 657 14.303 9.732 -4.276 1.00 44.43 N ATOM 0 H ARG A 657 10.547 5.901 -1.664 1.00 24.41 H new ATOM 0 HA ARG A 657 9.339 6.560 -4.237 1.00 13.12 H new ATOM 0 HB2 ARG A 657 11.667 7.131 -3.630 1.00 20.22 H new ATOM 0 HB3 ARG A 657 12.005 5.428 -3.392 1.00 20.22 H new ATOM 0 HG2 ARG A 657 11.680 4.953 -5.725 1.00 32.34 H new ATOM 0 HG3 ARG A 657 11.043 6.557 -6.028 1.00 32.34 H new ATOM 0 HD2 ARG A 657 13.859 5.897 -5.095 1.00 64.30 H new ATOM 0 HD3 ARG A 657 13.402 6.417 -6.705 1.00 64.30 H new ATOM 0 HE ARG A 657 12.442 8.510 -5.361 1.00 24.10 H new ATOM 0 HH11 ARG A 657 15.507 6.814 -4.900 1.00 3.42 H new ATOM 0 HH12 ARG A 657 16.292 8.208 -4.150 1.00 3.42 H new ATOM 0 HH21 ARG A 657 13.447 10.276 -4.382 1.00 44.43 H new ATOM 0 HH22 ARG A 657 15.130 10.159 -3.859 1.00 44.43 H new ATOM 1122 N SER A 658 9.006 4.283 -5.166 1.00 34.54 N ATOM 1123 CA SER A 658 8.451 3.023 -5.659 1.00 21.45 C ATOM 1124 C SER A 658 9.261 1.791 -5.264 1.00 41.35 C ATOM 1125 O SER A 658 10.425 1.618 -5.672 1.00 10.14 O ATOM 1126 CB SER A 658 8.375 3.095 -7.153 1.00 3.42 C ATOM 1127 OG SER A 658 7.578 4.169 -7.568 1.00 62.32 O ATOM 0 H SER A 658 8.982 5.027 -5.863 1.00 34.54 H new ATOM 0 HA SER A 658 7.469 2.906 -5.200 1.00 21.45 H new ATOM 0 HB2 SER A 658 9.378 3.202 -7.566 1.00 3.42 H new ATOM 0 HB3 SER A 658 7.967 2.163 -7.544 1.00 3.42 H new ATOM 0 HG SER A 658 8.111 4.991 -7.567 1.00 62.32 H new ATOM 1133 N ASN A 659 8.639 0.945 -4.488 1.00 54.25 N ATOM 1134 CA ASN A 659 9.216 -0.292 -4.047 1.00 73.40 C ATOM 1135 C ASN A 659 8.111 -1.274 -3.761 1.00 44.13 C ATOM 1136 O ASN A 659 7.066 -0.899 -3.276 1.00 60.23 O ATOM 1137 CB ASN A 659 10.194 -0.118 -2.828 1.00 21.44 C ATOM 1138 CG ASN A 659 9.604 0.440 -1.492 1.00 52.53 C ATOM 1139 OD1 ASN A 659 10.305 1.127 -0.743 1.00 12.02 O ATOM 1140 ND2 ASN A 659 8.364 0.147 -1.175 1.00 24.00 N ATOM 0 H ASN A 659 7.694 1.102 -4.138 1.00 54.25 H new ATOM 0 HA ASN A 659 9.843 -0.683 -4.849 1.00 73.40 H new ATOM 0 HB2 ASN A 659 10.641 -1.089 -2.616 1.00 21.44 H new ATOM 0 HB3 ASN A 659 11.002 0.544 -3.139 1.00 21.44 H new ATOM 0 HD21 ASN A 659 7.967 0.488 -0.299 1.00 24.00 H new ATOM 0 HD22 ASN A 659 7.797 -0.422 -1.804 1.00 24.00 H new ATOM 1146 N ALA A 660 8.328 -2.499 -4.061 1.00 41.02 N ATOM 1147 CA ALA A 660 7.317 -3.515 -3.874 1.00 1.10 C ATOM 1148 C ALA A 660 7.691 -4.413 -2.700 1.00 30.21 C ATOM 1149 O ALA A 660 7.393 -5.617 -2.693 1.00 24.21 O ATOM 1150 CB ALA A 660 7.207 -4.317 -5.151 1.00 61.32 C ATOM 0 H ALA A 660 9.207 -2.845 -4.445 1.00 41.02 H new ATOM 0 HA ALA A 660 6.355 -3.055 -3.649 1.00 1.10 H new ATOM 0 HB1 ALA A 660 6.448 -5.090 -5.031 1.00 61.32 H new ATOM 0 HB2 ALA A 660 6.926 -3.657 -5.972 1.00 61.32 H new ATOM 0 HB3 ALA A 660 8.167 -4.782 -5.372 1.00 61.32 H new ATOM 1156 N LYS A 661 8.313 -3.821 -1.696 1.00 51.43 N ATOM 1157 CA LYS A 661 8.759 -4.554 -0.542 1.00 55.42 C ATOM 1158 C LYS A 661 7.652 -4.886 0.417 1.00 21.41 C ATOM 1159 O LYS A 661 7.185 -4.025 1.178 1.00 62.44 O ATOM 1160 CB LYS A 661 9.849 -3.806 0.196 1.00 31.23 C ATOM 1161 CG LYS A 661 11.119 -3.657 -0.579 1.00 50.15 C ATOM 1162 CD LYS A 661 12.157 -2.936 0.234 1.00 75.31 C ATOM 1163 CE LYS A 661 13.497 -2.921 -0.471 1.00 63.24 C ATOM 1164 NZ LYS A 661 13.975 -4.299 -0.762 1.00 34.12 N ATOM 0 H LYS A 661 8.519 -2.822 -1.665 1.00 51.43 H new ATOM 0 HA LYS A 661 9.152 -5.494 -0.930 1.00 55.42 H new ATOM 0 HB2 LYS A 661 9.479 -2.815 0.461 1.00 31.23 H new ATOM 0 HB3 LYS A 661 10.064 -4.326 1.129 1.00 31.23 H new ATOM 0 HG2 LYS A 661 11.493 -4.640 -0.866 1.00 50.15 H new ATOM 0 HG3 LYS A 661 10.926 -3.108 -1.501 1.00 50.15 H new ATOM 0 HD2 LYS A 661 11.830 -1.913 0.420 1.00 75.31 H new ATOM 0 HD3 LYS A 661 12.261 -3.419 1.206 1.00 75.31 H new ATOM 0 HE2 LYS A 661 13.413 -2.360 -1.402 1.00 63.24 H new ATOM 0 HE3 LYS A 661 14.230 -2.404 0.149 1.00 63.24 H new ATOM 0 HZ1 LYS A 661 15.002 -4.283 -0.923 1.00 34.12 H new ATOM 0 HZ2 LYS A 661 13.761 -4.919 0.045 1.00 34.12 H new ATOM 0 HZ3 LYS A 661 13.497 -4.660 -1.612 1.00 34.12 H new ATOM 1178 N LEU A 662 7.223 -6.121 0.387 1.00 62.52 N ATOM 1179 CA LEU A 662 6.320 -6.590 1.379 1.00 23.20 C ATOM 1180 C LEU A 662 7.152 -7.231 2.455 1.00 12.01 C ATOM 1181 O LEU A 662 8.033 -8.052 2.163 1.00 63.23 O ATOM 1182 CB LEU A 662 5.343 -7.643 0.831 1.00 10.04 C ATOM 1183 CG LEU A 662 4.418 -7.246 -0.310 1.00 34.13 C ATOM 1184 CD1 LEU A 662 3.453 -8.373 -0.600 1.00 10.40 C ATOM 1185 CD2 LEU A 662 3.671 -5.981 0.011 1.00 21.43 C ATOM 0 H LEU A 662 7.489 -6.811 -0.316 1.00 62.52 H new ATOM 0 HA LEU A 662 5.726 -5.752 1.743 1.00 23.20 H new ATOM 0 HB2 LEU A 662 5.930 -8.500 0.500 1.00 10.04 H new ATOM 0 HB3 LEU A 662 4.722 -7.983 1.660 1.00 10.04 H new ATOM 0 HG LEU A 662 5.024 -7.056 -1.196 1.00 34.13 H new ATOM 0 HD11 LEU A 662 2.792 -8.085 -1.418 1.00 10.40 H new ATOM 0 HD12 LEU A 662 4.011 -9.266 -0.882 1.00 10.40 H new ATOM 0 HD13 LEU A 662 2.859 -8.582 0.290 1.00 10.40 H new ATOM 0 HD21 LEU A 662 3.018 -5.722 -0.823 1.00 21.43 H new ATOM 0 HD22 LEU A 662 3.071 -6.131 0.909 1.00 21.43 H new ATOM 0 HD23 LEU A 662 4.381 -5.172 0.180 1.00 21.43 H new ATOM 1193 N SER A 663 6.903 -6.864 3.656 1.00 71.12 N ATOM 1194 CA SER A 663 7.580 -7.416 4.776 1.00 61.24 C ATOM 1195 C SER A 663 6.571 -8.132 5.624 1.00 42.32 C ATOM 1196 O SER A 663 5.441 -7.707 5.715 1.00 14.41 O ATOM 1197 CB SER A 663 8.240 -6.301 5.570 1.00 22.10 C ATOM 1198 OG SER A 663 9.143 -5.568 4.756 1.00 24.35 O ATOM 0 H SER A 663 6.209 -6.157 3.897 1.00 71.12 H new ATOM 0 HA SER A 663 8.353 -8.113 4.452 1.00 61.24 H new ATOM 0 HB2 SER A 663 7.477 -5.632 5.968 1.00 22.10 H new ATOM 0 HB3 SER A 663 8.772 -6.722 6.423 1.00 22.10 H new ATOM 0 HG SER A 663 9.187 -4.640 5.069 1.00 24.35 H new ATOM 1204 N TYR A 664 6.942 -9.210 6.195 1.00 43.21 N ATOM 1205 CA TYR A 664 6.042 -9.935 7.016 1.00 64.11 C ATOM 1206 C TYR A 664 6.469 -9.753 8.423 1.00 62.03 C ATOM 1207 O TYR A 664 7.620 -9.982 8.743 1.00 11.13 O ATOM 1208 CB TYR A 664 6.099 -11.398 6.662 1.00 4.52 C ATOM 1209 CG TYR A 664 4.867 -12.169 7.009 1.00 20.31 C ATOM 1210 CD1 TYR A 664 3.641 -11.791 6.491 1.00 65.43 C ATOM 1211 CD2 TYR A 664 4.926 -13.279 7.802 1.00 22.44 C ATOM 1212 CE1 TYR A 664 2.504 -12.494 6.760 1.00 30.23 C ATOM 1213 CE2 TYR A 664 3.806 -14.016 8.080 1.00 30.11 C ATOM 1214 CZ TYR A 664 2.585 -13.623 7.560 1.00 62.34 C ATOM 1215 OH TYR A 664 1.447 -14.363 7.839 1.00 32.14 O ATOM 0 H TYR A 664 7.873 -9.619 6.111 1.00 43.21 H new ATOM 0 HA TYR A 664 5.022 -9.577 6.872 1.00 64.11 H new ATOM 0 HB2 TYR A 664 6.282 -11.493 5.592 1.00 4.52 H new ATOM 0 HB3 TYR A 664 6.950 -11.849 7.172 1.00 4.52 H new ATOM 0 HD1 TYR A 664 3.583 -10.918 5.858 1.00 65.43 H new ATOM 0 HD2 TYR A 664 5.875 -13.582 8.218 1.00 22.44 H new ATOM 0 HE1 TYR A 664 1.554 -12.176 6.356 1.00 30.23 H new ATOM 0 HE2 TYR A 664 3.875 -14.897 8.700 1.00 30.11 H new ATOM 0 HH TYR A 664 0.801 -13.802 8.317 1.00 32.14 H new ATOM 1225 N TYR A 665 5.580 -9.296 9.233 1.00 60.12 N ATOM 1226 CA TYR A 665 5.838 -9.127 10.632 1.00 0.50 C ATOM 1227 C TYR A 665 5.336 -10.420 11.306 1.00 72.03 C ATOM 1228 O TYR A 665 5.340 -11.460 10.666 1.00 20.14 O ATOM 1229 CB TYR A 665 5.075 -7.860 11.096 1.00 5.12 C ATOM 1230 CG TYR A 665 5.398 -7.380 12.496 1.00 71.20 C ATOM 1231 CD1 TYR A 665 6.683 -6.978 12.828 1.00 13.11 C ATOM 1232 CD2 TYR A 665 4.418 -7.313 13.470 1.00 45.43 C ATOM 1233 CE1 TYR A 665 6.977 -6.529 14.097 1.00 62.41 C ATOM 1234 CE2 TYR A 665 4.704 -6.868 14.734 1.00 42.22 C ATOM 1235 CZ TYR A 665 5.983 -6.479 15.046 1.00 34.43 C ATOM 1236 OH TYR A 665 6.267 -6.034 16.318 1.00 2.12 O ATOM 0 H TYR A 665 4.640 -9.024 8.946 1.00 60.12 H new ATOM 0 HA TYR A 665 6.888 -8.981 10.885 1.00 0.50 H new ATOM 0 HB2 TYR A 665 5.288 -7.052 10.396 1.00 5.12 H new ATOM 0 HB3 TYR A 665 4.005 -8.060 11.037 1.00 5.12 H new ATOM 0 HD1 TYR A 665 7.463 -7.017 12.082 1.00 13.11 H new ATOM 0 HD2 TYR A 665 3.410 -7.617 13.230 1.00 45.43 H new ATOM 0 HE1 TYR A 665 7.981 -6.218 14.345 1.00 62.41 H new ATOM 0 HE2 TYR A 665 3.926 -6.823 15.482 1.00 42.22 H new ATOM 0 HH TYR A 665 5.453 -6.061 16.863 1.00 2.12 H new ATOM 1246 N ASP A 666 4.899 -10.362 12.556 1.00 52.31 N ATOM 1247 CA ASP A 666 4.364 -11.541 13.310 1.00 10.11 C ATOM 1248 C ASP A 666 3.069 -12.147 12.699 1.00 25.24 C ATOM 1249 O ASP A 666 2.234 -12.691 13.426 1.00 41.31 O ATOM 1250 CB ASP A 666 4.073 -11.143 14.763 1.00 54.22 C ATOM 1251 CG ASP A 666 5.303 -10.873 15.587 1.00 31.25 C ATOM 1252 OD1 ASP A 666 5.820 -9.754 15.560 1.00 62.42 O ATOM 1253 OD2 ASP A 666 5.751 -11.785 16.313 1.00 4.42 O ATOM 0 H ASP A 666 4.896 -9.499 13.100 1.00 52.31 H new ATOM 0 HA ASP A 666 5.139 -12.305 13.251 1.00 10.11 H new ATOM 0 HB2 ASP A 666 3.445 -10.252 14.765 1.00 54.22 H new ATOM 0 HB3 ASP A 666 3.499 -11.939 15.238 1.00 54.22 H new ATOM 1258 N GLY A 667 2.942 -12.109 11.391 1.00 60.44 N ATOM 1259 CA GLY A 667 1.790 -12.655 10.721 1.00 72.33 C ATOM 1260 C GLY A 667 1.005 -11.622 9.953 1.00 71.54 C ATOM 1261 O GLY A 667 0.042 -11.947 9.264 1.00 61.55 O ATOM 0 H GLY A 667 3.635 -11.699 10.765 1.00 60.44 H new ATOM 0 HA2 GLY A 667 2.114 -13.439 10.036 1.00 72.33 H new ATOM 0 HA3 GLY A 667 1.138 -13.124 11.458 1.00 72.33 H new ATOM 1265 N MET A 668 1.407 -10.389 10.069 1.00 72.21 N ATOM 1266 CA MET A 668 0.781 -9.310 9.339 1.00 42.10 C ATOM 1267 C MET A 668 1.754 -8.794 8.322 1.00 4.32 C ATOM 1268 O MET A 668 2.960 -8.736 8.595 1.00 73.54 O ATOM 1269 CB MET A 668 0.359 -8.151 10.267 1.00 23.34 C ATOM 1270 CG MET A 668 -0.739 -8.469 11.289 1.00 22.34 C ATOM 1271 SD MET A 668 -0.291 -9.734 12.513 1.00 5.05 S ATOM 1272 CE MET A 668 1.129 -8.983 13.298 1.00 43.31 C ATOM 0 H MET A 668 2.177 -10.097 10.671 1.00 72.21 H new ATOM 0 HA MET A 668 -0.119 -9.698 8.863 1.00 42.10 H new ATOM 0 HB2 MET A 668 1.241 -7.806 10.807 1.00 23.34 H new ATOM 0 HB3 MET A 668 0.020 -7.321 9.647 1.00 23.34 H new ATOM 0 HG2 MET A 668 -1.004 -7.552 11.815 1.00 22.34 H new ATOM 0 HG3 MET A 668 -1.630 -8.799 10.754 1.00 22.34 H new ATOM 0 HE1 MET A 668 1.241 -9.382 14.306 1.00 43.31 H new ATOM 0 HE2 MET A 668 2.025 -9.205 12.718 1.00 43.31 H new ATOM 0 HE3 MET A 668 0.988 -7.903 13.349 1.00 43.31 H new ATOM 1282 N ILE A 669 1.273 -8.445 7.159 1.00 51.14 N ATOM 1283 CA ILE A 669 2.141 -7.900 6.146 1.00 63.32 C ATOM 1284 C ILE A 669 2.338 -6.408 6.394 1.00 13.42 C ATOM 1285 O ILE A 669 1.387 -5.683 6.682 1.00 53.41 O ATOM 1286 CB ILE A 669 1.627 -8.094 4.673 1.00 24.54 C ATOM 1287 CG1 ILE A 669 1.529 -9.548 4.225 1.00 71.31 C ATOM 1288 CG2 ILE A 669 2.469 -7.322 3.664 1.00 13.44 C ATOM 1289 CD1 ILE A 669 0.360 -10.330 4.774 1.00 71.42 C ATOM 0 H ILE A 669 0.293 -8.527 6.889 1.00 51.14 H new ATOM 0 HA ILE A 669 3.075 -8.456 6.229 1.00 63.32 H new ATOM 0 HB ILE A 669 0.614 -7.692 4.696 1.00 24.54 H new ATOM 0 HG12 ILE A 669 1.477 -9.570 3.136 1.00 71.31 H new ATOM 0 HG13 ILE A 669 2.449 -10.059 4.510 1.00 71.31 H new ATOM 0 HG21 ILE A 669 2.076 -7.487 2.661 1.00 13.44 H new ATOM 0 HG22 ILE A 669 2.433 -6.258 3.898 1.00 13.44 H new ATOM 0 HG23 ILE A 669 3.501 -7.669 3.711 1.00 13.44 H new ATOM 0 HD11 ILE A 669 0.391 -11.349 4.389 1.00 71.42 H new ATOM 0 HD12 ILE A 669 0.415 -10.351 5.862 1.00 71.42 H new ATOM 0 HD13 ILE A 669 -0.572 -9.855 4.467 1.00 71.42 H new ATOM 1296 N GLN A 670 3.556 -5.986 6.313 1.00 21.44 N ATOM 1297 CA GLN A 670 3.925 -4.614 6.391 1.00 63.14 C ATOM 1298 C GLN A 670 4.608 -4.188 5.133 1.00 63.15 C ATOM 1299 O GLN A 670 5.610 -4.752 4.733 1.00 33.33 O ATOM 1300 CB GLN A 670 4.744 -4.314 7.610 1.00 2.44 C ATOM 1301 CG GLN A 670 3.869 -4.207 8.813 1.00 64.04 C ATOM 1302 CD GLN A 670 4.603 -3.922 10.060 1.00 13.15 C ATOM 1303 OE1 GLN A 670 5.666 -3.316 10.070 1.00 53.03 O ATOM 1304 NE2 GLN A 670 4.030 -4.285 11.116 1.00 44.41 N ATOM 0 H GLN A 670 4.351 -6.612 6.186 1.00 21.44 H new ATOM 0 HA GLN A 670 3.012 -4.027 6.494 1.00 63.14 H new ATOM 0 HB2 GLN A 670 5.485 -5.100 7.760 1.00 2.44 H new ATOM 0 HB3 GLN A 670 5.292 -3.383 7.467 1.00 2.44 H new ATOM 0 HG2 GLN A 670 3.134 -3.419 8.647 1.00 64.04 H new ATOM 0 HG3 GLN A 670 3.316 -5.139 8.933 1.00 64.04 H new ATOM 0 HE21 GLN A 670 3.144 -4.789 11.068 1.00 44.41 H new ATOM 0 HE22 GLN A 670 4.450 -4.076 12.022 1.00 44.41 H new ATOM 1312 N LEU A 671 4.059 -3.218 4.508 1.00 64.02 N ATOM 1313 CA LEU A 671 4.538 -2.759 3.233 1.00 13.12 C ATOM 1314 C LEU A 671 5.210 -1.450 3.500 1.00 32.21 C ATOM 1315 O LEU A 671 4.575 -0.511 3.968 1.00 0.15 O ATOM 1316 CB LEU A 671 3.329 -2.623 2.310 1.00 71.34 C ATOM 1317 CG LEU A 671 3.520 -2.544 0.789 1.00 11.21 C ATOM 1318 CD1 LEU A 671 2.184 -2.578 0.136 1.00 52.51 C ATOM 1319 CD2 LEU A 671 4.251 -1.311 0.324 1.00 54.44 C ATOM 0 H LEU A 671 3.252 -2.703 4.860 1.00 64.02 H new ATOM 0 HA LEU A 671 5.245 -3.434 2.750 1.00 13.12 H new ATOM 0 HB2 LEU A 671 2.674 -3.471 2.509 1.00 71.34 H new ATOM 0 HB3 LEU A 671 2.790 -1.726 2.614 1.00 71.34 H new ATOM 0 HG LEU A 671 4.137 -3.398 0.510 1.00 11.21 H new ATOM 0 HD11 LEU A 671 2.306 -2.522 -0.946 1.00 52.51 H new ATOM 0 HD12 LEU A 671 1.675 -3.506 0.397 1.00 52.51 H new ATOM 0 HD13 LEU A 671 1.590 -1.730 0.478 1.00 52.51 H new ATOM 0 HD21 LEU A 671 4.345 -1.331 -0.762 1.00 54.44 H new ATOM 0 HD22 LEU A 671 3.694 -0.423 0.624 1.00 54.44 H new ATOM 0 HD23 LEU A 671 5.244 -1.285 0.773 1.00 54.44 H new ATOM 1327 N THR A 672 6.474 -1.394 3.254 1.00 14.41 N ATOM 1328 CA THR A 672 7.250 -0.254 3.666 1.00 41.55 C ATOM 1329 C THR A 672 7.873 0.509 2.487 1.00 75.34 C ATOM 1330 O THR A 672 8.660 -0.037 1.720 1.00 34.35 O ATOM 1331 CB THR A 672 8.365 -0.713 4.628 1.00 32.33 C ATOM 1332 OG1 THR A 672 7.770 -1.510 5.664 1.00 13.23 O ATOM 1333 CG2 THR A 672 9.064 0.484 5.266 1.00 32.12 C ATOM 0 H THR A 672 7.001 -2.121 2.770 1.00 14.41 H new ATOM 0 HA THR A 672 6.567 0.434 4.165 1.00 41.55 H new ATOM 0 HB THR A 672 9.103 -1.286 4.067 1.00 32.33 H new ATOM 0 HG1 THR A 672 8.466 -1.812 6.285 1.00 13.23 H new ATOM 0 HG21 THR A 672 9.846 0.132 5.940 1.00 32.12 H new ATOM 0 HG22 THR A 672 9.508 1.104 4.487 1.00 32.12 H new ATOM 0 HG23 THR A 672 8.338 1.072 5.828 1.00 32.12 H new ATOM 1339 N TYR A 673 7.497 1.758 2.357 1.00 45.12 N ATOM 1340 CA TYR A 673 8.074 2.679 1.397 1.00 24.35 C ATOM 1341 C TYR A 673 9.053 3.583 2.079 1.00 32.41 C ATOM 1342 O TYR A 673 8.734 4.166 3.111 1.00 51.03 O ATOM 1343 CB TYR A 673 7.012 3.542 0.728 1.00 25.22 C ATOM 1344 CG TYR A 673 6.297 2.864 -0.361 1.00 4.33 C ATOM 1345 CD1 TYR A 673 6.828 2.890 -1.623 1.00 42.22 C ATOM 1346 CD2 TYR A 673 5.123 2.194 -0.155 1.00 11.02 C ATOM 1347 CE1 TYR A 673 6.223 2.264 -2.653 1.00 62.22 C ATOM 1348 CE2 TYR A 673 4.499 1.563 -1.196 1.00 44.44 C ATOM 1349 CZ TYR A 673 5.063 1.602 -2.450 1.00 14.02 C ATOM 1350 OH TYR A 673 4.471 0.950 -3.488 1.00 71.11 O ATOM 0 H TYR A 673 6.763 2.177 2.928 1.00 45.12 H new ATOM 0 HA TYR A 673 8.570 2.078 0.635 1.00 24.35 H new ATOM 0 HB2 TYR A 673 6.291 3.862 1.480 1.00 25.22 H new ATOM 0 HB3 TYR A 673 7.484 4.443 0.335 1.00 25.22 H new ATOM 0 HD1 TYR A 673 7.751 3.423 -1.797 1.00 42.22 H new ATOM 0 HD2 TYR A 673 4.687 2.163 0.833 1.00 11.02 H new ATOM 0 HE1 TYR A 673 6.665 2.292 -3.638 1.00 62.22 H new ATOM 0 HE2 TYR A 673 3.569 1.038 -1.034 1.00 44.44 H new ATOM 0 HH TYR A 673 3.562 0.688 -3.234 1.00 71.11 H new ATOM 1360 N ARG A 674 10.236 3.692 1.528 1.00 63.41 N ATOM 1361 CA ARG A 674 11.246 4.585 2.067 1.00 72.14 C ATOM 1362 C ARG A 674 11.816 5.447 0.958 1.00 53.24 C ATOM 1363 O ARG A 674 11.408 5.299 -0.201 1.00 40.35 O ATOM 1364 CB ARG A 674 12.359 3.824 2.799 1.00 0.33 C ATOM 1365 CG ARG A 674 11.873 3.020 3.993 1.00 34.12 C ATOM 1366 CD ARG A 674 13.027 2.415 4.767 1.00 33.43 C ATOM 1367 NE ARG A 674 13.856 1.516 3.958 1.00 32.34 N ATOM 1368 CZ ARG A 674 15.067 1.076 4.328 1.00 63.54 C ATOM 1369 NH1 ARG A 674 15.596 1.465 5.481 1.00 62.42 N ATOM 1370 NH2 ARG A 674 15.745 0.253 3.545 1.00 10.42 N ATOM 0 H ARG A 674 10.530 3.172 0.701 1.00 63.41 H new ATOM 0 HA ARG A 674 10.766 5.226 2.807 1.00 72.14 H new ATOM 0 HB2 ARG A 674 12.849 3.151 2.095 1.00 0.33 H new ATOM 0 HB3 ARG A 674 13.112 4.536 3.136 1.00 0.33 H new ATOM 0 HG2 ARG A 674 11.290 3.663 4.652 1.00 34.12 H new ATOM 0 HG3 ARG A 674 11.208 2.227 3.652 1.00 34.12 H new ATOM 0 HD2 ARG A 674 13.651 3.217 5.163 1.00 33.43 H new ATOM 0 HD3 ARG A 674 12.634 1.865 5.622 1.00 33.43 H new ATOM 0 HE ARG A 674 13.489 1.206 3.058 1.00 32.34 H new ATOM 0 HH11 ARG A 674 15.081 2.101 6.090 1.00 62.42 H new ATOM 0 HH12 ARG A 674 16.518 1.128 5.759 1.00 62.42 H new ATOM 0 HH21 ARG A 674 15.347 -0.049 2.656 1.00 10.42 H new ATOM 0 HH22 ARG A 674 16.666 -0.079 3.830 1.00 10.42 H new ATOM 1382 N ASP A 675 12.759 6.336 1.314 1.00 44.32 N ATOM 1383 CA ASP A 675 13.388 7.315 0.379 1.00 3.21 C ATOM 1384 C ASP A 675 12.498 8.495 0.115 1.00 74.15 C ATOM 1385 O ASP A 675 12.694 9.237 -0.856 1.00 54.14 O ATOM 1386 CB ASP A 675 13.889 6.692 -0.944 1.00 50.13 C ATOM 1387 CG ASP A 675 15.101 5.831 -0.765 1.00 12.15 C ATOM 1388 OD1 ASP A 675 16.219 6.377 -0.761 1.00 54.34 O ATOM 1389 OD2 ASP A 675 14.963 4.597 -0.636 1.00 63.00 O ATOM 0 H ASP A 675 13.117 6.405 2.267 1.00 44.32 H new ATOM 0 HA ASP A 675 14.278 7.667 0.902 1.00 3.21 H new ATOM 0 HB2 ASP A 675 13.089 6.096 -1.384 1.00 50.13 H new ATOM 0 HB3 ASP A 675 14.118 7.490 -1.651 1.00 50.13 H new ATOM 1394 N GLY A 676 11.549 8.706 1.010 1.00 31.42 N ATOM 1395 CA GLY A 676 10.668 9.834 0.908 1.00 71.23 C ATOM 1396 C GLY A 676 11.376 11.135 1.220 1.00 64.12 C ATOM 1397 O GLY A 676 12.597 11.164 1.411 1.00 13.30 O ATOM 0 H GLY A 676 11.376 8.103 1.815 1.00 31.42 H new ATOM 0 HA2 GLY A 676 10.252 9.880 -0.099 1.00 71.23 H new ATOM 0 HA3 GLY A 676 9.831 9.703 1.593 1.00 71.23 H new ATOM 1401 N THR A 677 10.628 12.187 1.289 1.00 3.10 N ATOM 1402 CA THR A 677 11.171 13.494 1.533 1.00 73.43 C ATOM 1403 C THR A 677 11.544 13.631 3.018 1.00 55.15 C ATOM 1404 O THR A 677 10.692 13.469 3.887 1.00 63.13 O ATOM 1405 CB THR A 677 10.128 14.565 1.151 1.00 40.13 C ATOM 1406 OG1 THR A 677 9.626 14.286 -0.171 1.00 65.40 O ATOM 1407 CG2 THR A 677 10.740 15.961 1.162 1.00 33.03 C ATOM 0 H THR A 677 9.614 12.169 1.178 1.00 3.10 H new ATOM 0 HA THR A 677 12.067 13.634 0.928 1.00 73.43 H new ATOM 0 HB THR A 677 9.322 14.534 1.884 1.00 40.13 H new ATOM 0 HG1 THR A 677 9.369 15.125 -0.607 1.00 65.40 H new ATOM 0 HG21 THR A 677 9.980 16.693 0.889 1.00 33.03 H new ATOM 0 HG22 THR A 677 11.118 16.185 2.160 1.00 33.03 H new ATOM 0 HG23 THR A 677 11.560 16.004 0.445 1.00 33.03 H new ATOM 1413 N PRO A 678 12.818 13.892 3.322 1.00 43.34 N ATOM 1414 CA PRO A 678 13.268 14.061 4.692 1.00 40.33 C ATOM 1415 C PRO A 678 12.828 15.390 5.260 1.00 24.53 C ATOM 1416 O PRO A 678 12.778 16.406 4.550 1.00 74.15 O ATOM 1417 CB PRO A 678 14.791 13.993 4.585 1.00 35.42 C ATOM 1418 CG PRO A 678 15.094 14.462 3.206 1.00 73.02 C ATOM 1419 CD PRO A 678 13.923 14.054 2.351 1.00 60.24 C ATOM 0 HA PRO A 678 12.853 13.307 5.361 1.00 40.33 H new ATOM 0 HB2 PRO A 678 15.269 14.626 5.333 1.00 35.42 H new ATOM 0 HB3 PRO A 678 15.154 12.978 4.747 1.00 35.42 H new ATOM 0 HG2 PRO A 678 15.232 15.543 3.185 1.00 73.02 H new ATOM 0 HG3 PRO A 678 16.018 14.015 2.838 1.00 73.02 H new ATOM 0 HD2 PRO A 678 13.690 14.812 1.603 1.00 60.24 H new ATOM 0 HD3 PRO A 678 14.123 13.127 1.814 1.00 60.24 H new ATOM 1427 N TYR A 679 12.491 15.391 6.519 1.00 14.53 N ATOM 1428 CA TYR A 679 12.061 16.591 7.157 1.00 62.43 C ATOM 1429 C TYR A 679 12.851 16.938 8.393 1.00 23.13 C ATOM 1430 O TYR A 679 13.811 16.235 8.728 1.00 45.43 O ATOM 1431 CB TYR A 679 10.559 16.645 7.368 1.00 4.23 C ATOM 1432 CG TYR A 679 9.904 15.450 7.992 1.00 35.44 C ATOM 1433 CD1 TYR A 679 9.911 15.238 9.348 1.00 5.03 C ATOM 1434 CD2 TYR A 679 9.205 14.586 7.202 1.00 54.32 C ATOM 1435 CE1 TYR A 679 9.221 14.182 9.900 1.00 63.22 C ATOM 1436 CE2 TYR A 679 8.520 13.517 7.724 1.00 60.00 C ATOM 1437 CZ TYR A 679 8.525 13.325 9.076 1.00 45.41 C ATOM 1438 OH TYR A 679 7.819 12.295 9.609 1.00 55.04 O ATOM 0 H TYR A 679 12.508 14.568 7.121 1.00 14.53 H new ATOM 0 HA TYR A 679 12.288 17.388 6.449 1.00 62.43 H new ATOM 0 HB2 TYR A 679 10.338 17.513 7.990 1.00 4.23 H new ATOM 0 HB3 TYR A 679 10.089 16.819 6.400 1.00 4.23 H new ATOM 0 HD1 TYR A 679 10.464 15.908 9.990 1.00 5.03 H new ATOM 0 HD2 TYR A 679 9.190 14.747 6.134 1.00 54.32 H new ATOM 0 HE1 TYR A 679 9.225 14.027 10.969 1.00 63.22 H new ATOM 0 HE2 TYR A 679 7.986 12.839 7.076 1.00 60.00 H new ATOM 0 HH TYR A 679 7.894 12.318 10.586 1.00 55.04 H new ATOM 1448 N ASN A 680 12.435 18.039 9.047 1.00 14.11 N ATOM 1449 CA ASN A 680 13.100 18.641 10.223 1.00 41.14 C ATOM 1450 C ASN A 680 13.539 17.586 11.236 1.00 5.05 C ATOM 1451 O ASN A 680 12.716 17.016 11.974 1.00 12.30 O ATOM 1452 CB ASN A 680 12.151 19.673 10.888 1.00 12.33 C ATOM 1453 CG ASN A 680 12.774 20.494 12.034 1.00 71.54 C ATOM 1454 OD1 ASN A 680 13.688 20.061 12.734 1.00 2.41 O ATOM 1455 ND2 ASN A 680 12.258 21.678 12.241 1.00 24.54 N ATOM 0 H ASN A 680 11.600 18.552 8.764 1.00 14.11 H new ATOM 0 HA ASN A 680 14.002 19.146 9.877 1.00 41.14 H new ATOM 0 HB2 ASN A 680 11.794 20.361 10.122 1.00 12.33 H new ATOM 0 HB3 ASN A 680 11.279 19.145 11.273 1.00 12.33 H new ATOM 0 HD21 ASN A 680 12.613 22.264 12.996 1.00 24.54 H new ATOM 0 HD22 ASN A 680 11.501 22.015 11.647 1.00 24.54 H new ATOM 1461 N ASN A 681 14.826 17.328 11.231 1.00 14.40 N ATOM 1462 CA ASN A 681 15.490 16.370 12.102 1.00 32.43 C ATOM 1463 C ASN A 681 16.978 16.542 11.894 1.00 62.21 C ATOM 1464 O ASN A 681 17.414 16.752 10.763 1.00 52.22 O ATOM 1465 CB ASN A 681 15.007 14.915 11.790 1.00 40.05 C ATOM 1466 CG ASN A 681 15.688 13.791 12.603 1.00 21.50 C ATOM 1467 OD1 ASN A 681 16.875 13.826 12.901 1.00 71.02 O ATOM 1468 ND2 ASN A 681 14.916 12.812 12.992 1.00 72.33 N ATOM 0 H ASN A 681 15.471 17.797 10.595 1.00 14.40 H new ATOM 0 HA ASN A 681 15.245 16.547 13.149 1.00 32.43 H new ATOM 0 HB2 ASN A 681 13.932 14.864 11.965 1.00 40.05 H new ATOM 0 HB3 ASN A 681 15.167 14.719 10.730 1.00 40.05 H new ATOM 0 HD21 ASN A 681 15.299 12.054 13.557 1.00 72.33 H new ATOM 0 HD22 ASN A 681 13.930 12.805 12.731 1.00 72.33 H new ATOM 1474 N GLU A 682 17.745 16.478 12.966 1.00 52.10 N ATOM 1475 CA GLU A 682 19.190 16.701 12.923 1.00 70.41 C ATOM 1476 C GLU A 682 19.928 15.719 11.996 1.00 54.02 C ATOM 1477 O GLU A 682 20.980 16.049 11.451 1.00 73.35 O ATOM 1478 CB GLU A 682 19.791 16.657 14.327 1.00 65.34 C ATOM 1479 CG GLU A 682 19.222 17.699 15.288 1.00 12.21 C ATOM 1480 CD GLU A 682 19.348 19.108 14.768 1.00 51.43 C ATOM 1481 OE1 GLU A 682 20.477 19.616 14.676 1.00 42.24 O ATOM 1482 OE2 GLU A 682 18.307 19.730 14.429 1.00 5.22 O ATOM 0 H GLU A 682 17.388 16.269 13.898 1.00 52.10 H new ATOM 0 HA GLU A 682 19.330 17.697 12.503 1.00 70.41 H new ATOM 0 HB2 GLU A 682 19.629 15.665 14.748 1.00 65.34 H new ATOM 0 HB3 GLU A 682 20.869 16.799 14.253 1.00 65.34 H new ATOM 0 HG2 GLU A 682 18.171 17.479 15.474 1.00 12.21 H new ATOM 0 HG3 GLU A 682 19.738 17.623 16.245 1.00 12.21 H new ATOM 1489 N LYS A 683 19.384 14.527 11.822 1.00 11.33 N ATOM 1490 CA LYS A 683 19.990 13.533 10.926 1.00 41.40 C ATOM 1491 C LYS A 683 19.314 13.571 9.560 1.00 32.12 C ATOM 1492 O LYS A 683 19.812 12.992 8.596 1.00 21.40 O ATOM 1493 CB LYS A 683 19.836 12.114 11.493 1.00 31.22 C ATOM 1494 CG LYS A 683 20.465 11.879 12.860 1.00 13.35 C ATOM 1495 CD LYS A 683 20.300 10.418 13.304 1.00 14.31 C ATOM 1496 CE LYS A 683 18.830 10.007 13.378 1.00 72.31 C ATOM 1497 NZ LYS A 683 18.656 8.598 13.817 1.00 65.00 N ATOM 0 H LYS A 683 18.528 14.216 12.282 1.00 11.33 H new ATOM 0 HA LYS A 683 21.048 13.779 10.834 1.00 41.40 H new ATOM 0 HB2 LYS A 683 18.773 11.881 11.557 1.00 31.22 H new ATOM 0 HB3 LYS A 683 20.274 11.410 10.786 1.00 31.22 H new ATOM 0 HG2 LYS A 683 21.524 12.133 12.824 1.00 13.35 H new ATOM 0 HG3 LYS A 683 20.003 12.539 13.594 1.00 13.35 H new ATOM 0 HD2 LYS A 683 20.825 9.765 12.606 1.00 14.31 H new ATOM 0 HD3 LYS A 683 20.765 10.281 14.280 1.00 14.31 H new ATOM 0 HE2 LYS A 683 18.306 10.667 14.069 1.00 72.31 H new ATOM 0 HE3 LYS A 683 18.369 10.139 12.399 1.00 72.31 H new ATOM 0 HZ1 LYS A 683 17.642 8.368 13.851 1.00 65.00 H new ATOM 0 HZ2 LYS A 683 19.133 7.964 13.145 1.00 65.00 H new ATOM 0 HZ3 LYS A 683 19.071 8.475 14.763 1.00 65.00 H new ATOM 1511 N ARG A 684 18.192 14.286 9.502 1.00 70.32 N ATOM 1512 CA ARG A 684 17.289 14.319 8.343 1.00 43.23 C ATOM 1513 C ARG A 684 16.820 12.940 7.964 1.00 30.45 C ATOM 1514 O ARG A 684 17.449 12.236 7.176 1.00 41.53 O ATOM 1515 CB ARG A 684 17.803 15.077 7.105 1.00 53.51 C ATOM 1516 CG ARG A 684 18.010 16.564 7.294 1.00 41.34 C ATOM 1517 CD ARG A 684 19.265 16.873 8.079 1.00 54.15 C ATOM 1518 NE ARG A 684 20.461 16.404 7.374 1.00 24.41 N ATOM 1519 CZ ARG A 684 21.719 16.587 7.778 1.00 74.35 C ATOM 1520 NH1 ARG A 684 21.979 17.188 8.937 1.00 23.01 N ATOM 1521 NH2 ARG A 684 22.719 16.158 7.023 1.00 61.02 N ATOM 0 H ARG A 684 17.875 14.873 10.274 1.00 70.32 H new ATOM 0 HA ARG A 684 16.445 14.911 8.697 1.00 43.23 H new ATOM 0 HB2 ARG A 684 18.748 14.632 6.794 1.00 53.51 H new ATOM 0 HB3 ARG A 684 17.097 14.927 6.289 1.00 53.51 H new ATOM 0 HG2 ARG A 684 18.066 17.048 6.319 1.00 41.34 H new ATOM 0 HG3 ARG A 684 17.148 16.986 7.810 1.00 41.34 H new ATOM 0 HD2 ARG A 684 19.337 17.948 8.247 1.00 54.15 H new ATOM 0 HD3 ARG A 684 19.209 16.400 9.060 1.00 54.15 H new ATOM 0 HE ARG A 684 20.320 15.895 6.501 1.00 24.41 H new ATOM 0 HH11 ARG A 684 21.212 17.514 9.526 1.00 23.01 H new ATOM 0 HH12 ARG A 684 22.945 17.323 9.236 1.00 23.01 H new ATOM 0 HH21 ARG A 684 22.525 15.690 6.137 1.00 61.02 H new ATOM 0 HH22 ARG A 684 23.683 16.295 7.327 1.00 61.02 H new ATOM 1533 N THR A 685 15.736 12.556 8.540 1.00 33.33 N ATOM 1534 CA THR A 685 15.185 11.263 8.292 1.00 70.50 C ATOM 1535 C THR A 685 14.147 11.360 7.160 1.00 64.33 C ATOM 1536 O THR A 685 13.223 12.203 7.213 1.00 25.52 O ATOM 1537 CB THR A 685 14.571 10.647 9.600 1.00 4.23 C ATOM 1538 OG1 THR A 685 14.035 9.330 9.366 1.00 43.14 O ATOM 1539 CG2 THR A 685 13.496 11.545 10.193 1.00 4.04 C ATOM 0 H THR A 685 15.203 13.126 9.197 1.00 33.33 H new ATOM 0 HA THR A 685 15.980 10.588 7.975 1.00 70.50 H new ATOM 0 HB THR A 685 15.387 10.566 10.318 1.00 4.23 H new ATOM 0 HG1 THR A 685 13.115 9.287 9.700 1.00 43.14 H new ATOM 0 HG21 THR A 685 13.095 11.085 11.096 1.00 4.04 H new ATOM 0 HG22 THR A 685 13.928 12.515 10.440 1.00 4.04 H new ATOM 0 HG23 THR A 685 12.694 11.680 9.468 1.00 4.04 H new ATOM 1545 N PRO A 686 14.319 10.568 6.089 1.00 61.01 N ATOM 1546 CA PRO A 686 13.383 10.546 4.983 1.00 71.11 C ATOM 1547 C PRO A 686 12.048 9.977 5.409 1.00 53.43 C ATOM 1548 O PRO A 686 11.989 8.924 6.067 1.00 31.11 O ATOM 1549 CB PRO A 686 14.038 9.632 3.936 1.00 40.22 C ATOM 1550 CG PRO A 686 15.450 9.470 4.382 1.00 64.32 C ATOM 1551 CD PRO A 686 15.444 9.648 5.870 1.00 44.23 C ATOM 0 HA PRO A 686 13.184 11.548 4.602 1.00 71.11 H new ATOM 0 HB2 PRO A 686 13.530 8.669 3.882 1.00 40.22 H new ATOM 0 HB3 PRO A 686 13.988 10.075 2.941 1.00 40.22 H new ATOM 0 HG2 PRO A 686 15.833 8.487 4.110 1.00 64.32 H new ATOM 0 HG3 PRO A 686 16.096 10.207 3.905 1.00 64.32 H new ATOM 0 HD2 PRO A 686 15.298 8.701 6.389 1.00 44.23 H new ATOM 0 HD3 PRO A 686 16.384 10.067 6.230 1.00 44.23 H new ATOM 1559 N ARG A 687 10.998 10.687 5.070 1.00 72.11 N ATOM 1560 CA ARG A 687 9.647 10.279 5.344 1.00 45.14 C ATOM 1561 C ARG A 687 9.381 8.895 4.736 1.00 42.24 C ATOM 1562 O ARG A 687 9.805 8.613 3.612 1.00 25.54 O ATOM 1563 CB ARG A 687 8.720 11.337 4.765 1.00 35.11 C ATOM 1564 CG ARG A 687 7.263 11.063 4.897 1.00 3.31 C ATOM 1565 CD ARG A 687 6.450 12.220 4.342 1.00 52.34 C ATOM 1566 NE ARG A 687 6.524 13.429 5.173 1.00 62.21 N ATOM 1567 CZ ARG A 687 6.975 14.627 4.787 1.00 14.11 C ATOM 1568 NH1 ARG A 687 7.629 14.764 3.644 1.00 71.33 N ATOM 1569 NH2 ARG A 687 6.813 15.673 5.582 1.00 23.44 N ATOM 0 H ARG A 687 11.064 11.582 4.586 1.00 72.11 H new ATOM 0 HA ARG A 687 9.473 10.193 6.417 1.00 45.14 H new ATOM 0 HB2 ARG A 687 8.937 12.288 5.250 1.00 35.11 H new ATOM 0 HB3 ARG A 687 8.953 11.458 3.707 1.00 35.11 H new ATOM 0 HG2 ARG A 687 7.010 10.146 4.365 1.00 3.31 H new ATOM 0 HG3 ARG A 687 7.011 10.904 5.945 1.00 3.31 H new ATOM 0 HD2 ARG A 687 6.803 12.455 3.338 1.00 52.34 H new ATOM 0 HD3 ARG A 687 5.408 11.913 4.250 1.00 52.34 H new ATOM 0 HE ARG A 687 6.200 13.347 6.137 1.00 62.21 H new ATOM 0 HH11 ARG A 687 7.793 13.951 3.049 1.00 71.33 H new ATOM 0 HH12 ARG A 687 7.969 15.682 3.358 1.00 71.33 H new ATOM 0 HH21 ARG A 687 6.347 15.562 6.482 1.00 23.44 H new ATOM 0 HH22 ARG A 687 7.154 16.590 5.294 1.00 23.44 H new ATOM 1581 N ALA A 688 8.715 8.051 5.482 1.00 54.41 N ATOM 1582 CA ALA A 688 8.458 6.694 5.066 1.00 72.00 C ATOM 1583 C ALA A 688 6.995 6.332 5.273 1.00 53.44 C ATOM 1584 O ALA A 688 6.287 6.997 6.021 1.00 52.34 O ATOM 1585 CB ALA A 688 9.354 5.738 5.845 1.00 3.11 C ATOM 0 H ALA A 688 8.334 8.286 6.399 1.00 54.41 H new ATOM 0 HA ALA A 688 8.681 6.608 4.002 1.00 72.00 H new ATOM 0 HB1 ALA A 688 9.157 4.714 5.528 1.00 3.11 H new ATOM 0 HB2 ALA A 688 10.399 5.982 5.654 1.00 3.11 H new ATOM 0 HB3 ALA A 688 9.148 5.833 6.911 1.00 3.11 H new ATOM 1591 N THR A 689 6.556 5.292 4.609 1.00 33.42 N ATOM 1592 CA THR A 689 5.190 4.804 4.712 1.00 62.23 C ATOM 1593 C THR A 689 5.198 3.305 4.986 1.00 61.15 C ATOM 1594 O THR A 689 5.880 2.560 4.303 1.00 65.44 O ATOM 1595 CB THR A 689 4.433 5.063 3.394 1.00 34.42 C ATOM 1596 OG1 THR A 689 4.449 6.444 3.113 1.00 75.13 O ATOM 1597 CG2 THR A 689 2.997 4.577 3.458 1.00 43.42 C ATOM 0 H THR A 689 7.139 4.749 3.972 1.00 33.42 H new ATOM 0 HA THR A 689 4.694 5.329 5.528 1.00 62.23 H new ATOM 0 HB THR A 689 4.936 4.506 2.604 1.00 34.42 H new ATOM 0 HG1 THR A 689 3.641 6.686 2.614 1.00 75.13 H new ATOM 0 HG21 THR A 689 2.502 4.780 2.508 1.00 43.42 H new ATOM 0 HG22 THR A 689 2.984 3.505 3.652 1.00 43.42 H new ATOM 0 HG23 THR A 689 2.472 5.097 4.259 1.00 43.42 H new ATOM 1603 N LEU A 690 4.469 2.873 5.982 1.00 63.12 N ATOM 1604 CA LEU A 690 4.369 1.498 6.293 1.00 31.23 C ATOM 1605 C LEU A 690 2.913 1.110 6.483 1.00 63.52 C ATOM 1606 O LEU A 690 2.224 1.608 7.385 1.00 73.41 O ATOM 1607 CB LEU A 690 5.262 1.158 7.506 1.00 34.40 C ATOM 1608 CG LEU A 690 5.169 -0.252 8.093 1.00 4.10 C ATOM 1609 CD1 LEU A 690 6.463 -0.599 8.768 1.00 13.14 C ATOM 1610 CD2 LEU A 690 4.064 -0.317 9.129 1.00 4.32 C ATOM 0 H LEU A 690 3.929 3.482 6.596 1.00 63.12 H new ATOM 0 HA LEU A 690 4.742 0.899 5.462 1.00 31.23 H new ATOM 0 HB2 LEU A 690 6.298 1.332 7.217 1.00 34.40 H new ATOM 0 HB3 LEU A 690 5.030 1.867 8.301 1.00 34.40 H new ATOM 0 HG LEU A 690 4.959 -0.951 7.283 1.00 4.10 H new ATOM 0 HD11 LEU A 690 6.397 -1.603 9.186 1.00 13.14 H new ATOM 0 HD12 LEU A 690 7.274 -0.561 8.041 1.00 13.14 H new ATOM 0 HD13 LEU A 690 6.659 0.115 9.568 1.00 13.14 H new ATOM 0 HD21 LEU A 690 4.008 -1.325 9.539 1.00 4.32 H new ATOM 0 HD22 LEU A 690 4.276 0.390 9.931 1.00 4.32 H new ATOM 0 HD23 LEU A 690 3.112 -0.062 8.663 1.00 4.32 H new ATOM 1618 N ILE A 691 2.449 0.245 5.625 1.00 43.21 N ATOM 1619 CA ILE A 691 1.093 -0.238 5.675 1.00 24.10 C ATOM 1620 C ILE A 691 1.077 -1.522 6.469 1.00 24.11 C ATOM 1621 O ILE A 691 1.947 -2.364 6.289 1.00 31.21 O ATOM 1622 CB ILE A 691 0.482 -0.564 4.257 1.00 15.22 C ATOM 1623 CG1 ILE A 691 0.484 0.623 3.280 1.00 62.40 C ATOM 1624 CG2 ILE A 691 -0.921 -1.103 4.389 1.00 51.21 C ATOM 1625 CD1 ILE A 691 1.840 1.010 2.748 1.00 2.40 C ATOM 0 H ILE A 691 3.003 -0.149 4.865 1.00 43.21 H new ATOM 0 HA ILE A 691 0.495 0.556 6.123 1.00 24.10 H new ATOM 0 HB ILE A 691 1.141 -1.320 3.830 1.00 15.22 H new ATOM 0 HG12 ILE A 691 -0.164 0.382 2.438 1.00 62.40 H new ATOM 0 HG13 ILE A 691 0.047 1.487 3.781 1.00 62.40 H new ATOM 0 HG21 ILE A 691 -1.322 -1.321 3.399 1.00 51.21 H new ATOM 0 HG22 ILE A 691 -0.905 -2.017 4.983 1.00 51.21 H new ATOM 0 HG23 ILE A 691 -1.551 -0.362 4.881 1.00 51.21 H new ATOM 0 HD11 ILE A 691 1.736 1.856 2.068 1.00 2.40 H new ATOM 0 HD12 ILE A 691 2.490 1.288 3.577 1.00 2.40 H new ATOM 0 HD13 ILE A 691 2.275 0.166 2.213 1.00 2.40 H new ATOM 1632 N THR A 692 0.135 -1.656 7.344 1.00 53.30 N ATOM 1633 CA THR A 692 -0.040 -2.862 8.078 1.00 34.25 C ATOM 1634 C THR A 692 -1.320 -3.549 7.584 1.00 70.41 C ATOM 1635 O THR A 692 -2.414 -2.979 7.685 1.00 72.03 O ATOM 1636 CB THR A 692 -0.136 -2.560 9.584 1.00 23.12 C ATOM 1637 OG1 THR A 692 1.046 -1.833 9.984 1.00 75.21 O ATOM 1638 CG2 THR A 692 -0.226 -3.847 10.388 1.00 73.52 C ATOM 0 H THR A 692 -0.539 -0.925 7.570 1.00 53.30 H new ATOM 0 HA THR A 692 0.814 -3.521 7.923 1.00 34.25 H new ATOM 0 HB THR A 692 -1.033 -1.971 9.773 1.00 23.12 H new ATOM 0 HG1 THR A 692 1.028 -1.688 10.953 1.00 75.21 H new ATOM 0 HG21 THR A 692 -0.293 -3.609 11.450 1.00 73.52 H new ATOM 0 HG22 THR A 692 -1.112 -4.404 10.085 1.00 73.52 H new ATOM 0 HG23 THR A 692 0.663 -4.452 10.207 1.00 73.52 H new ATOM 1644 N PHE A 693 -1.172 -4.730 7.021 1.00 55.53 N ATOM 1645 CA PHE A 693 -2.301 -5.483 6.506 1.00 25.21 C ATOM 1646 C PHE A 693 -2.891 -6.376 7.574 1.00 42.11 C ATOM 1647 O PHE A 693 -2.234 -7.299 8.068 1.00 44.42 O ATOM 1648 CB PHE A 693 -1.903 -6.338 5.280 1.00 14.30 C ATOM 1649 CG PHE A 693 -1.543 -5.549 4.043 1.00 62.02 C ATOM 1650 CD1 PHE A 693 -0.313 -4.942 3.915 1.00 41.22 C ATOM 1651 CD2 PHE A 693 -2.453 -5.414 3.012 1.00 53.31 C ATOM 1652 CE1 PHE A 693 -0.003 -4.212 2.783 1.00 53.42 C ATOM 1653 CE2 PHE A 693 -2.145 -4.692 1.880 1.00 12.23 C ATOM 1654 CZ PHE A 693 -0.921 -4.088 1.767 1.00 25.13 C ATOM 0 H PHE A 693 -0.271 -5.195 6.907 1.00 55.53 H new ATOM 0 HA PHE A 693 -3.051 -4.756 6.194 1.00 25.21 H new ATOM 0 HB2 PHE A 693 -1.054 -6.965 5.553 1.00 14.30 H new ATOM 0 HB3 PHE A 693 -2.729 -7.007 5.039 1.00 14.30 H new ATOM 0 HD1 PHE A 693 0.416 -5.037 4.706 1.00 41.22 H new ATOM 0 HD2 PHE A 693 -3.422 -5.883 3.095 1.00 53.31 H new ATOM 0 HE1 PHE A 693 0.963 -3.738 2.696 1.00 53.42 H new ATOM 0 HE2 PHE A 693 -2.868 -4.602 1.083 1.00 12.23 H new ATOM 0 HZ PHE A 693 -0.678 -3.517 0.883 1.00 25.13 H new ATOM 1664 N LEU A 694 -4.108 -6.080 7.932 1.00 23.32 N ATOM 1665 CA LEU A 694 -4.876 -6.873 8.859 1.00 73.14 C ATOM 1666 C LEU A 694 -5.909 -7.603 8.055 1.00 65.42 C ATOM 1667 O LEU A 694 -6.240 -7.165 6.951 1.00 34.44 O ATOM 1668 CB LEU A 694 -5.577 -6.005 9.933 1.00 2.05 C ATOM 1669 CG LEU A 694 -4.696 -5.222 10.930 1.00 3.01 C ATOM 1670 CD1 LEU A 694 -3.722 -6.136 11.646 1.00 3.12 C ATOM 1671 CD2 LEU A 694 -3.986 -4.052 10.273 1.00 64.13 C ATOM 0 H LEU A 694 -4.608 -5.263 7.582 1.00 23.32 H new ATOM 0 HA LEU A 694 -4.211 -7.554 9.390 1.00 73.14 H new ATOM 0 HB2 LEU A 694 -6.214 -5.287 9.416 1.00 2.05 H new ATOM 0 HB3 LEU A 694 -6.234 -6.656 10.510 1.00 2.05 H new ATOM 0 HG LEU A 694 -5.365 -4.801 11.681 1.00 3.01 H new ATOM 0 HD11 LEU A 694 -3.118 -5.552 12.340 1.00 3.12 H new ATOM 0 HD12 LEU A 694 -4.275 -6.896 12.198 1.00 3.12 H new ATOM 0 HD13 LEU A 694 -3.072 -6.618 10.916 1.00 3.12 H new ATOM 0 HD21 LEU A 694 -3.379 -3.532 11.014 1.00 64.13 H new ATOM 0 HD22 LEU A 694 -3.345 -4.419 9.471 1.00 64.13 H new ATOM 0 HD23 LEU A 694 -4.724 -3.364 9.861 1.00 64.13 H new ATOM 1679 N CYS A 695 -6.433 -8.680 8.573 1.00 21.42 N ATOM 1680 CA CYS A 695 -7.380 -9.462 7.806 1.00 32.22 C ATOM 1681 C CYS A 695 -8.807 -9.273 8.324 1.00 0.40 C ATOM 1682 O CYS A 695 -9.727 -10.020 7.971 1.00 72.45 O ATOM 1683 CB CYS A 695 -6.975 -10.936 7.807 1.00 50.00 C ATOM 1684 SG CYS A 695 -7.928 -11.992 6.670 1.00 1.53 S ATOM 0 H CYS A 695 -6.229 -9.037 9.507 1.00 21.42 H new ATOM 0 HA CYS A 695 -7.364 -9.106 6.776 1.00 32.22 H new ATOM 0 HB2 CYS A 695 -5.919 -11.008 7.548 1.00 50.00 H new ATOM 0 HB3 CYS A 695 -7.082 -11.327 8.819 1.00 50.00 H new ATOM 1689 N ASP A 696 -8.996 -8.250 9.146 1.00 12.35 N ATOM 1690 CA ASP A 696 -10.329 -7.909 9.630 1.00 32.42 C ATOM 1691 C ASP A 696 -11.213 -7.509 8.462 1.00 11.13 C ATOM 1692 O ASP A 696 -10.744 -6.826 7.532 1.00 11.20 O ATOM 1693 CB ASP A 696 -10.294 -6.771 10.666 1.00 13.14 C ATOM 1694 CG ASP A 696 -9.681 -7.152 11.998 1.00 53.40 C ATOM 1695 OD1 ASP A 696 -8.435 -7.159 12.134 1.00 44.13 O ATOM 1696 OD2 ASP A 696 -10.445 -7.415 12.949 1.00 32.14 O ATOM 0 H ASP A 696 -8.250 -7.645 9.490 1.00 12.35 H new ATOM 0 HA ASP A 696 -10.736 -8.792 10.122 1.00 32.42 H new ATOM 0 HB2 ASP A 696 -9.734 -5.934 10.249 1.00 13.14 H new ATOM 0 HB3 ASP A 696 -11.312 -6.420 10.836 1.00 13.14 H new ATOM 1745 N GLY A 700 -13.237 -7.627 0.430 1.00 41.51 N ATOM 1746 CA GLY A 700 -12.761 -6.307 0.181 1.00 72.13 C ATOM 1747 C GLY A 700 -11.282 -6.327 -0.048 1.00 13.33 C ATOM 1748 O GLY A 700 -10.574 -7.155 0.538 1.00 10.44 O ATOM 0 HA2 GLY A 700 -13.266 -5.888 -0.690 1.00 72.13 H new ATOM 0 HA3 GLY A 700 -12.997 -5.662 1.027 1.00 72.13 H new ATOM 1752 N VAL A 701 -10.805 -5.448 -0.899 1.00 14.10 N ATOM 1753 CA VAL A 701 -9.384 -5.386 -1.211 1.00 43.43 C ATOM 1754 C VAL A 701 -8.641 -4.704 -0.066 1.00 23.34 C ATOM 1755 O VAL A 701 -7.488 -4.998 0.215 1.00 64.14 O ATOM 1756 CB VAL A 701 -9.130 -4.617 -2.534 1.00 12.22 C ATOM 1757 CG1 VAL A 701 -7.663 -4.652 -2.925 1.00 61.30 C ATOM 1758 CG2 VAL A 701 -9.985 -5.169 -3.653 1.00 41.31 C ATOM 0 H VAL A 701 -11.377 -4.762 -1.392 1.00 14.10 H new ATOM 0 HA VAL A 701 -9.016 -6.404 -1.337 1.00 43.43 H new ATOM 0 HB VAL A 701 -9.409 -3.577 -2.364 1.00 12.22 H new ATOM 0 HG11 VAL A 701 -7.522 -4.104 -3.856 1.00 61.30 H new ATOM 0 HG12 VAL A 701 -7.066 -4.191 -2.138 1.00 61.30 H new ATOM 0 HG13 VAL A 701 -7.347 -5.686 -3.061 1.00 61.30 H new ATOM 0 HG21 VAL A 701 -9.788 -4.613 -4.570 1.00 41.31 H new ATOM 0 HG22 VAL A 701 -9.746 -6.221 -3.809 1.00 41.31 H new ATOM 0 HG23 VAL A 701 -11.038 -5.071 -3.388 1.00 41.31 H new ATOM 1764 N GLY A 702 -9.322 -3.840 0.610 1.00 64.51 N ATOM 1765 CA GLY A 702 -8.741 -3.143 1.700 1.00 74.54 C ATOM 1766 C GLY A 702 -8.510 -1.703 1.384 1.00 62.55 C ATOM 1767 O GLY A 702 -8.109 -1.354 0.278 1.00 33.11 O ATOM 0 H GLY A 702 -10.295 -3.600 0.420 1.00 64.51 H new ATOM 0 HA2 GLY A 702 -9.393 -3.223 2.570 1.00 74.54 H new ATOM 0 HA3 GLY A 702 -7.794 -3.612 1.967 1.00 74.54 H new ATOM 1771 N PHE A 703 -8.785 -0.876 2.338 1.00 54.01 N ATOM 1772 CA PHE A 703 -8.600 0.539 2.202 1.00 70.32 C ATOM 1773 C PHE A 703 -7.568 0.989 3.222 1.00 61.13 C ATOM 1774 O PHE A 703 -7.709 0.689 4.411 1.00 13.54 O ATOM 1775 CB PHE A 703 -9.945 1.269 2.415 1.00 53.10 C ATOM 1776 CG PHE A 703 -9.869 2.767 2.297 1.00 52.13 C ATOM 1777 CD1 PHE A 703 -9.815 3.371 1.058 1.00 74.01 C ATOM 1778 CD2 PHE A 703 -9.861 3.567 3.426 1.00 24.45 C ATOM 1779 CE1 PHE A 703 -9.750 4.742 0.942 1.00 10.24 C ATOM 1780 CE2 PHE A 703 -9.796 4.941 3.317 1.00 12.12 C ATOM 1781 CZ PHE A 703 -9.739 5.529 2.072 1.00 74.41 C ATOM 0 H PHE A 703 -9.149 -1.163 3.247 1.00 54.01 H new ATOM 0 HA PHE A 703 -8.245 0.781 1.200 1.00 70.32 H new ATOM 0 HB2 PHE A 703 -10.665 0.896 1.687 1.00 53.10 H new ATOM 0 HB3 PHE A 703 -10.329 1.014 3.403 1.00 53.10 H new ATOM 0 HD1 PHE A 703 -9.824 2.761 0.167 1.00 74.01 H new ATOM 0 HD2 PHE A 703 -9.906 3.111 4.404 1.00 24.45 H new ATOM 0 HE1 PHE A 703 -9.708 5.200 -0.035 1.00 10.24 H new ATOM 0 HE2 PHE A 703 -9.790 5.554 4.206 1.00 12.12 H new ATOM 0 HZ PHE A 703 -9.686 6.604 1.983 1.00 74.41 H new ATOM 1791 N PRO A 704 -6.499 1.653 2.787 1.00 53.12 N ATOM 1792 CA PRO A 704 -5.492 2.155 3.702 1.00 20.44 C ATOM 1793 C PRO A 704 -5.988 3.393 4.449 1.00 60.24 C ATOM 1794 O PRO A 704 -6.602 4.283 3.863 1.00 11.23 O ATOM 1795 CB PRO A 704 -4.310 2.507 2.794 1.00 14.43 C ATOM 1796 CG PRO A 704 -4.905 2.740 1.441 1.00 74.22 C ATOM 1797 CD PRO A 704 -6.186 1.953 1.377 1.00 30.04 C ATOM 0 HA PRO A 704 -5.233 1.428 4.472 1.00 20.44 H new ATOM 0 HB2 PRO A 704 -3.790 3.395 3.153 1.00 14.43 H new ATOM 0 HB3 PRO A 704 -3.580 1.698 2.768 1.00 14.43 H new ATOM 0 HG2 PRO A 704 -5.097 3.801 1.283 1.00 74.22 H new ATOM 0 HG3 PRO A 704 -4.217 2.420 0.658 1.00 74.22 H new ATOM 0 HD2 PRO A 704 -6.983 2.528 0.906 1.00 30.04 H new ATOM 0 HD3 PRO A 704 -6.064 1.040 0.794 1.00 30.04 H new ATOM 1805 N GLU A 705 -5.726 3.435 5.727 1.00 64.42 N ATOM 1806 CA GLU A 705 -6.126 4.540 6.557 1.00 63.12 C ATOM 1807 C GLU A 705 -4.951 5.088 7.332 1.00 42.53 C ATOM 1808 O GLU A 705 -4.036 4.356 7.679 1.00 70.01 O ATOM 1809 CB GLU A 705 -7.255 4.131 7.489 1.00 72.41 C ATOM 1810 CG GLU A 705 -8.530 3.771 6.750 1.00 62.13 C ATOM 1811 CD GLU A 705 -9.680 3.514 7.661 1.00 51.31 C ATOM 1812 OE1 GLU A 705 -9.747 2.426 8.263 1.00 32.34 O ATOM 1813 OE2 GLU A 705 -10.558 4.397 7.787 1.00 12.24 O ATOM 0 H GLU A 705 -5.226 2.699 6.226 1.00 64.42 H new ATOM 0 HA GLU A 705 -6.495 5.335 5.909 1.00 63.12 H new ATOM 0 HB2 GLU A 705 -6.935 3.278 8.087 1.00 72.41 H new ATOM 0 HB3 GLU A 705 -7.461 4.947 8.182 1.00 72.41 H new ATOM 0 HG2 GLU A 705 -8.788 4.581 6.068 1.00 62.13 H new ATOM 0 HG3 GLU A 705 -8.352 2.885 6.140 1.00 62.13 H new ATOM 1820 N TYR A 706 -4.991 6.355 7.605 1.00 13.03 N ATOM 1821 CA TYR A 706 -3.906 7.061 8.249 1.00 53.21 C ATOM 1822 C TYR A 706 -4.075 7.004 9.763 1.00 23.24 C ATOM 1823 O TYR A 706 -5.059 7.523 10.293 1.00 32.02 O ATOM 1824 CB TYR A 706 -3.938 8.506 7.739 1.00 74.43 C ATOM 1825 CG TYR A 706 -2.833 9.413 8.213 1.00 52.15 C ATOM 1826 CD1 TYR A 706 -1.508 9.105 7.968 1.00 3.53 C ATOM 1827 CD2 TYR A 706 -3.123 10.609 8.856 1.00 33.42 C ATOM 1828 CE1 TYR A 706 -0.503 9.957 8.348 1.00 53.35 C ATOM 1829 CE2 TYR A 706 -2.122 11.466 9.248 1.00 2.13 C ATOM 1830 CZ TYR A 706 -0.813 11.136 8.988 1.00 24.44 C ATOM 1831 OH TYR A 706 0.190 11.995 9.349 1.00 24.33 O ATOM 0 H TYR A 706 -5.792 6.948 7.385 1.00 13.03 H new ATOM 0 HA TYR A 706 -2.944 6.606 8.015 1.00 53.21 H new ATOM 0 HB2 TYR A 706 -3.916 8.483 6.649 1.00 74.43 H new ATOM 0 HB3 TYR A 706 -4.891 8.949 8.030 1.00 74.43 H new ATOM 0 HD1 TYR A 706 -1.261 8.179 7.470 1.00 3.53 H new ATOM 0 HD2 TYR A 706 -4.152 10.870 9.052 1.00 33.42 H new ATOM 0 HE1 TYR A 706 0.527 9.704 8.146 1.00 53.35 H new ATOM 0 HE2 TYR A 706 -2.362 12.389 9.755 1.00 2.13 H new ATOM 0 HH TYR A 706 -0.195 12.781 9.790 1.00 24.33 H new ATOM 1841 N GLN A 707 -3.130 6.361 10.468 1.00 51.22 N ATOM 1842 CA GLN A 707 -3.269 6.244 11.917 1.00 21.35 C ATOM 1843 C GLN A 707 -2.907 7.582 12.571 1.00 25.41 C ATOM 1844 O GLN A 707 -3.678 8.117 13.379 1.00 33.44 O ATOM 1845 CB GLN A 707 -2.459 5.007 12.507 1.00 32.02 C ATOM 1846 CG GLN A 707 -0.952 5.158 12.763 1.00 54.50 C ATOM 1847 CD GLN A 707 -0.609 5.924 14.034 1.00 24.53 C ATOM 1848 OE1 GLN A 707 -1.351 5.906 15.006 1.00 15.41 O ATOM 1849 NE2 GLN A 707 0.512 6.595 14.037 1.00 74.23 N ATOM 0 H GLN A 707 -2.294 5.931 10.072 1.00 51.22 H new ATOM 0 HA GLN A 707 -4.309 6.026 12.158 1.00 21.35 H new ATOM 0 HB2 GLN A 707 -2.927 4.727 13.451 1.00 32.02 H new ATOM 0 HB3 GLN A 707 -2.594 4.169 11.824 1.00 32.02 H new ATOM 0 HG2 GLN A 707 -0.503 4.166 12.817 1.00 54.50 H new ATOM 0 HG3 GLN A 707 -0.499 5.667 11.912 1.00 54.50 H new ATOM 0 HE21 GLN A 707 1.111 6.591 13.211 1.00 74.23 H new ATOM 0 HE22 GLN A 707 0.788 7.122 14.865 1.00 74.23 H new ATOM 1912 N SER A 712 8.741 9.550 11.561 1.00 64.44 N ATOM 1913 CA SER A 712 8.910 9.712 10.112 1.00 64.24 C ATOM 1914 C SER A 712 8.239 8.595 9.309 1.00 0.01 C ATOM 1915 O SER A 712 8.034 8.721 8.106 1.00 55.21 O ATOM 1916 CB SER A 712 10.383 9.916 9.715 1.00 43.40 C ATOM 1917 OG SER A 712 11.210 8.904 10.290 1.00 22.14 O ATOM 0 HA SER A 712 8.386 10.630 9.846 1.00 64.24 H new ATOM 0 HB2 SER A 712 10.478 9.895 8.629 1.00 43.40 H new ATOM 0 HB3 SER A 712 10.720 10.898 10.046 1.00 43.40 H new ATOM 0 HG SER A 712 10.830 8.619 11.147 1.00 22.14 H new ATOM 1923 N THR A 713 7.900 7.513 9.972 1.00 54.13 N ATOM 1924 CA THR A 713 7.225 6.422 9.331 1.00 13.53 C ATOM 1925 C THR A 713 5.711 6.588 9.502 1.00 23.23 C ATOM 1926 O THR A 713 5.200 6.606 10.615 1.00 24.31 O ATOM 1927 CB THR A 713 7.678 5.083 9.942 1.00 14.31 C ATOM 1928 OG1 THR A 713 9.113 5.002 9.875 1.00 32.44 O ATOM 1929 CG2 THR A 713 7.084 3.906 9.180 1.00 12.42 C ATOM 0 H THR A 713 8.086 7.370 10.965 1.00 54.13 H new ATOM 0 HA THR A 713 7.473 6.423 8.270 1.00 13.53 H new ATOM 0 HB THR A 713 7.335 5.039 10.976 1.00 14.31 H new ATOM 0 HG1 THR A 713 9.411 4.153 10.263 1.00 32.44 H new ATOM 0 HG21 THR A 713 7.420 2.973 9.632 1.00 12.42 H new ATOM 0 HG22 THR A 713 5.996 3.958 9.221 1.00 12.42 H new ATOM 0 HG23 THR A 713 7.410 3.943 8.141 1.00 12.42 H new ATOM 1935 N TYR A 714 5.021 6.750 8.412 1.00 71.05 N ATOM 1936 CA TYR A 714 3.585 6.910 8.426 1.00 23.32 C ATOM 1937 C TYR A 714 2.930 5.538 8.399 1.00 13.44 C ATOM 1938 O TYR A 714 3.104 4.782 7.445 1.00 21.31 O ATOM 1939 CB TYR A 714 3.124 7.769 7.222 1.00 23.23 C ATOM 1940 CG TYR A 714 3.580 9.237 7.247 1.00 32.55 C ATOM 1941 CD1 TYR A 714 4.866 9.592 7.634 1.00 14.30 C ATOM 1942 CD2 TYR A 714 2.710 10.265 6.893 1.00 34.04 C ATOM 1943 CE1 TYR A 714 5.271 10.900 7.665 1.00 2.43 C ATOM 1944 CE2 TYR A 714 3.116 11.584 6.921 1.00 12.34 C ATOM 1945 CZ TYR A 714 4.397 11.892 7.309 1.00 45.50 C ATOM 1946 OH TYR A 714 4.813 13.199 7.320 1.00 72.43 O ATOM 0 H TYR A 714 5.434 6.776 7.480 1.00 71.05 H new ATOM 0 HA TYR A 714 3.285 7.429 9.336 1.00 23.32 H new ATOM 0 HB2 TYR A 714 3.492 7.307 6.306 1.00 23.23 H new ATOM 0 HB3 TYR A 714 2.035 7.745 7.176 1.00 23.23 H new ATOM 0 HD1 TYR A 714 5.564 8.818 7.917 1.00 14.30 H new ATOM 0 HD2 TYR A 714 1.701 10.026 6.592 1.00 34.04 H new ATOM 0 HE1 TYR A 714 6.277 11.148 7.969 1.00 2.43 H new ATOM 0 HE2 TYR A 714 2.430 12.369 6.639 1.00 12.34 H new ATOM 0 HH TYR A 714 5.502 13.317 8.006 1.00 72.43 H new ATOM 1956 N ASN A 715 2.216 5.204 9.457 1.00 75.11 N ATOM 1957 CA ASN A 715 1.555 3.904 9.550 1.00 72.32 C ATOM 1958 C ASN A 715 0.183 3.978 8.930 1.00 73.03 C ATOM 1959 O ASN A 715 -0.612 4.888 9.242 1.00 60.03 O ATOM 1960 CB ASN A 715 1.381 3.453 11.000 1.00 42.31 C ATOM 1961 CG ASN A 715 0.816 2.025 11.145 1.00 11.11 C ATOM 1962 OD1 ASN A 715 0.078 1.736 12.081 1.00 72.13 O ATOM 1963 ND2 ASN A 715 1.185 1.125 10.250 1.00 71.13 N ATOM 0 H ASN A 715 2.075 5.809 10.266 1.00 75.11 H new ATOM 0 HA ASN A 715 2.189 3.190 9.024 1.00 72.32 H new ATOM 0 HB2 ASN A 715 2.346 3.505 11.505 1.00 42.31 H new ATOM 0 HB3 ASN A 715 0.716 4.150 11.510 1.00 42.31 H new ATOM 0 HD21 ASN A 715 0.855 0.163 10.328 1.00 71.13 H new ATOM 0 HD22 ASN A 715 1.800 1.392 9.481 1.00 71.13 H new ATOM 1969 N PHE A 716 -0.089 3.056 8.064 1.00 73.34 N ATOM 1970 CA PHE A 716 -1.365 2.951 7.447 1.00 25.21 C ATOM 1971 C PHE A 716 -2.053 1.661 7.822 1.00 44.54 C ATOM 1972 O PHE A 716 -1.464 0.574 7.761 1.00 44.14 O ATOM 1973 CB PHE A 716 -1.277 3.171 5.938 1.00 44.23 C ATOM 1974 CG PHE A 716 -1.011 4.613 5.594 1.00 52.55 C ATOM 1975 CD1 PHE A 716 0.279 5.111 5.560 1.00 52.10 C ATOM 1976 CD2 PHE A 716 -2.060 5.475 5.324 1.00 3.13 C ATOM 1977 CE1 PHE A 716 0.517 6.438 5.259 1.00 14.31 C ATOM 1978 CE2 PHE A 716 -1.827 6.803 5.024 1.00 35.44 C ATOM 1979 CZ PHE A 716 -0.535 7.282 4.993 1.00 30.14 C ATOM 0 H PHE A 716 0.580 2.347 7.764 1.00 73.34 H new ATOM 0 HA PHE A 716 -1.995 3.753 7.832 1.00 25.21 H new ATOM 0 HB2 PHE A 716 -0.483 2.547 5.526 1.00 44.23 H new ATOM 0 HB3 PHE A 716 -2.208 2.852 5.470 1.00 44.23 H new ATOM 0 HD1 PHE A 716 1.110 4.454 5.771 1.00 52.10 H new ATOM 0 HD2 PHE A 716 -3.074 5.104 5.348 1.00 3.13 H new ATOM 0 HE1 PHE A 716 1.530 6.812 5.233 1.00 14.31 H new ATOM 0 HE2 PHE A 716 -2.655 7.464 4.814 1.00 35.44 H new ATOM 0 HZ PHE A 716 -0.349 8.320 4.760 1.00 30.14 H new ATOM 1989 N ARG A 717 -3.288 1.799 8.220 1.00 62.23 N ATOM 1990 CA ARG A 717 -4.104 0.709 8.689 1.00 21.14 C ATOM 1991 C ARG A 717 -4.903 0.191 7.492 1.00 25.22 C ATOM 1992 O ARG A 717 -5.665 0.931 6.892 1.00 20.54 O ATOM 1993 CB ARG A 717 -5.064 1.263 9.765 1.00 61.44 C ATOM 1994 CG ARG A 717 -5.815 0.226 10.587 1.00 5.10 C ATOM 1995 CD ARG A 717 -4.868 -0.548 11.499 1.00 61.11 C ATOM 1996 NE ARG A 717 -5.577 -1.520 12.351 1.00 11.10 N ATOM 1997 CZ ARG A 717 -4.976 -2.375 13.200 1.00 33.33 C ATOM 1998 NH1 ARG A 717 -3.654 -2.325 13.386 1.00 41.34 N ATOM 1999 NH2 ARG A 717 -5.697 -3.267 13.876 1.00 34.42 N ATOM 0 H ARG A 717 -3.770 2.698 8.228 1.00 62.23 H new ATOM 0 HA ARG A 717 -3.506 -0.096 9.116 1.00 21.14 H new ATOM 0 HB2 ARG A 717 -4.490 1.892 10.446 1.00 61.44 H new ATOM 0 HB3 ARG A 717 -5.794 1.907 9.275 1.00 61.44 H new ATOM 0 HG2 ARG A 717 -6.580 0.719 11.187 1.00 5.10 H new ATOM 0 HG3 ARG A 717 -6.329 -0.467 9.921 1.00 5.10 H new ATOM 0 HD2 ARG A 717 -4.130 -1.072 10.891 1.00 61.11 H new ATOM 0 HD3 ARG A 717 -4.322 0.153 12.130 1.00 61.11 H new ATOM 0 HE ARG A 717 -6.595 -1.547 12.293 1.00 11.10 H new ATOM 0 HH11 ARG A 717 -3.094 -1.636 12.883 1.00 41.34 H new ATOM 0 HH12 ARG A 717 -3.205 -2.975 14.031 1.00 41.34 H new ATOM 0 HH21 ARG A 717 -6.709 -3.305 13.752 1.00 34.42 H new ATOM 0 HH22 ARG A 717 -5.238 -3.913 14.518 1.00 34.42 H new ATOM 2011 N TRP A 718 -4.689 -1.041 7.136 1.00 2.22 N ATOM 2012 CA TRP A 718 -5.329 -1.638 5.967 1.00 24.33 C ATOM 2013 C TRP A 718 -6.035 -2.943 6.388 1.00 2.33 C ATOM 2014 O TRP A 718 -5.400 -3.840 6.934 1.00 3.55 O ATOM 2015 CB TRP A 718 -4.220 -1.935 4.923 1.00 44.21 C ATOM 2016 CG TRP A 718 -4.661 -2.381 3.548 1.00 44.54 C ATOM 2017 CD1 TRP A 718 -5.514 -3.398 3.242 1.00 64.03 C ATOM 2018 CD2 TRP A 718 -4.200 -1.857 2.279 1.00 31.42 C ATOM 2019 NE1 TRP A 718 -5.642 -3.514 1.880 1.00 31.41 N ATOM 2020 CE2 TRP A 718 -4.853 -2.593 1.270 1.00 71.45 C ATOM 2021 CE3 TRP A 718 -3.311 -0.830 1.894 1.00 32.41 C ATOM 2022 CZ2 TRP A 718 -4.655 -2.348 -0.085 1.00 71.22 C ATOM 2023 CZ3 TRP A 718 -3.118 -0.595 0.546 1.00 31.43 C ATOM 2024 CH2 TRP A 718 -3.787 -1.349 -0.424 1.00 30.22 C ATOM 0 H TRP A 718 -4.067 -1.674 7.639 1.00 2.22 H new ATOM 0 HA TRP A 718 -6.072 -0.966 5.539 1.00 24.33 H new ATOM 0 HB2 TRP A 718 -3.616 -1.035 4.808 1.00 44.21 H new ATOM 0 HB3 TRP A 718 -3.568 -2.706 5.334 1.00 44.21 H new ATOM 0 HD1 TRP A 718 -6.017 -4.022 3.966 1.00 64.03 H new ATOM 0 HE1 TRP A 718 -6.238 -4.188 1.400 1.00 31.41 H new ATOM 0 HE3 TRP A 718 -2.793 -0.241 2.637 1.00 32.41 H new ATOM 0 HZ2 TRP A 718 -5.168 -2.925 -0.840 1.00 71.22 H new ATOM 0 HZ3 TRP A 718 -2.438 0.185 0.236 1.00 31.43 H new ATOM 0 HH2 TRP A 718 -3.613 -1.136 -1.468 1.00 30.22 H new ATOM 2035 N TYR A 719 -7.338 -3.036 6.158 1.00 24.53 N ATOM 2036 CA TYR A 719 -8.077 -4.264 6.482 1.00 32.51 C ATOM 2037 C TYR A 719 -8.468 -4.997 5.211 1.00 12.25 C ATOM 2038 O TYR A 719 -9.341 -4.530 4.457 1.00 5.44 O ATOM 2039 CB TYR A 719 -9.339 -3.964 7.301 1.00 4.43 C ATOM 2040 CG TYR A 719 -9.083 -3.275 8.615 1.00 64.32 C ATOM 2041 CD1 TYR A 719 -8.456 -3.935 9.651 1.00 20.32 C ATOM 2042 CD2 TYR A 719 -9.480 -1.969 8.819 1.00 24.30 C ATOM 2043 CE1 TYR A 719 -8.228 -3.314 10.855 1.00 72.43 C ATOM 2044 CE2 TYR A 719 -9.256 -1.336 10.019 1.00 1.03 C ATOM 2045 CZ TYR A 719 -8.630 -2.012 11.034 1.00 42.34 C ATOM 2046 OH TYR A 719 -8.392 -1.383 12.235 1.00 62.44 O ATOM 0 H TYR A 719 -7.905 -2.291 5.754 1.00 24.53 H new ATOM 0 HA TYR A 719 -7.417 -4.891 7.081 1.00 32.51 H new ATOM 0 HB2 TYR A 719 -10.005 -3.342 6.703 1.00 4.43 H new ATOM 0 HB3 TYR A 719 -9.863 -4.900 7.492 1.00 4.43 H new ATOM 0 HD1 TYR A 719 -8.139 -4.958 9.513 1.00 20.32 H new ATOM 0 HD2 TYR A 719 -9.975 -1.435 8.022 1.00 24.30 H new ATOM 0 HE1 TYR A 719 -7.736 -3.846 11.656 1.00 72.43 H new ATOM 0 HE2 TYR A 719 -9.571 -0.313 10.161 1.00 1.03 H new ATOM 0 HH TYR A 719 -8.737 -0.466 12.198 1.00 62.44 H new ATOM 2056 N THR A 720 -7.833 -6.112 4.957 1.00 71.31 N ATOM 2057 CA THR A 720 -8.099 -6.876 3.774 1.00 54.42 C ATOM 2058 C THR A 720 -8.238 -8.368 4.079 1.00 5.35 C ATOM 2059 O THR A 720 -7.518 -8.914 4.906 1.00 2.13 O ATOM 2060 CB THR A 720 -7.020 -6.648 2.690 1.00 40.33 C ATOM 2061 OG1 THR A 720 -7.333 -7.378 1.515 1.00 22.22 O ATOM 2062 CG2 THR A 720 -5.643 -7.044 3.166 1.00 33.31 C ATOM 0 H THR A 720 -7.119 -6.512 5.566 1.00 71.31 H new ATOM 0 HA THR A 720 -9.053 -6.521 3.384 1.00 54.42 H new ATOM 0 HB THR A 720 -7.013 -5.580 2.473 1.00 40.33 H new ATOM 0 HG1 THR A 720 -7.421 -6.760 0.760 1.00 22.22 H new ATOM 0 HG21 THR A 720 -4.918 -6.866 2.371 1.00 33.31 H new ATOM 0 HG22 THR A 720 -5.376 -6.451 4.040 1.00 33.31 H new ATOM 0 HG23 THR A 720 -5.640 -8.101 3.430 1.00 33.31 H new ATOM 2068 N SER A 721 -9.149 -9.007 3.391 1.00 41.02 N ATOM 2069 CA SER A 721 -9.401 -10.426 3.535 1.00 44.01 C ATOM 2070 C SER A 721 -8.204 -11.253 3.011 1.00 54.21 C ATOM 2071 O SER A 721 -7.984 -12.396 3.417 1.00 64.53 O ATOM 2072 CB SER A 721 -10.653 -10.759 2.765 1.00 52.22 C ATOM 2073 OG SER A 721 -11.711 -9.907 3.172 1.00 21.31 O ATOM 0 H SER A 721 -9.749 -8.552 2.702 1.00 41.02 H new ATOM 0 HA SER A 721 -9.531 -10.675 4.588 1.00 44.01 H new ATOM 0 HB2 SER A 721 -10.474 -10.645 1.696 1.00 52.22 H new ATOM 0 HB3 SER A 721 -10.928 -11.800 2.933 1.00 52.22 H new ATOM 0 HG SER A 721 -12.521 -10.127 2.667 1.00 21.31 H new ATOM 2079 N TYR A 722 -7.437 -10.648 2.114 1.00 41.44 N ATOM 2080 CA TYR A 722 -6.284 -11.292 1.485 1.00 3.10 C ATOM 2081 C TYR A 722 -5.144 -11.576 2.480 1.00 2.43 C ATOM 2082 O TYR A 722 -4.199 -12.292 2.156 1.00 25.54 O ATOM 2083 CB TYR A 722 -5.766 -10.444 0.315 1.00 72.24 C ATOM 2084 CG TYR A 722 -6.758 -10.282 -0.819 1.00 34.22 C ATOM 2085 CD1 TYR A 722 -7.672 -9.242 -0.832 1.00 11.41 C ATOM 2086 CD2 TYR A 722 -6.770 -11.169 -1.876 1.00 52.40 C ATOM 2087 CE1 TYR A 722 -8.570 -9.095 -1.863 1.00 70.54 C ATOM 2088 CE2 TYR A 722 -7.666 -11.031 -2.911 1.00 3.13 C ATOM 2089 CZ TYR A 722 -8.563 -9.989 -2.900 1.00 50.12 C ATOM 2090 OH TYR A 722 -9.458 -9.840 -3.929 1.00 30.32 O ATOM 0 H TYR A 722 -7.595 -9.691 1.798 1.00 41.44 H new ATOM 0 HA TYR A 722 -6.629 -12.256 1.111 1.00 3.10 H new ATOM 0 HB2 TYR A 722 -5.493 -9.457 0.689 1.00 72.24 H new ATOM 0 HB3 TYR A 722 -4.856 -10.900 -0.075 1.00 72.24 H new ATOM 0 HD1 TYR A 722 -7.680 -8.533 -0.017 1.00 11.41 H new ATOM 0 HD2 TYR A 722 -6.064 -11.986 -1.891 1.00 52.40 H new ATOM 0 HE1 TYR A 722 -9.277 -8.279 -1.855 1.00 70.54 H new ATOM 0 HE2 TYR A 722 -7.665 -11.738 -3.728 1.00 3.13 H new ATOM 0 HH TYR A 722 -9.323 -10.554 -4.586 1.00 30.32 H new ATOM 2100 N ALA A 723 -5.241 -11.022 3.683 1.00 71.01 N ATOM 2101 CA ALA A 723 -4.199 -11.183 4.694 1.00 0.44 C ATOM 2102 C ALA A 723 -4.384 -12.463 5.535 1.00 12.40 C ATOM 2103 O ALA A 723 -3.670 -12.678 6.521 1.00 0.11 O ATOM 2104 CB ALA A 723 -4.133 -9.950 5.583 1.00 33.52 C ATOM 0 H ALA A 723 -6.033 -10.455 3.984 1.00 71.01 H new ATOM 0 HA ALA A 723 -3.250 -11.292 4.169 1.00 0.44 H new ATOM 0 HB1 ALA A 723 -3.352 -10.083 6.332 1.00 33.52 H new ATOM 0 HB2 ALA A 723 -3.907 -9.074 4.975 1.00 33.52 H new ATOM 0 HB3 ALA A 723 -5.093 -9.808 6.080 1.00 33.52 H new ATOM 2110 N CYS A 724 -5.314 -13.304 5.138 1.00 55.54 N ATOM 2111 CA CYS A 724 -5.533 -14.579 5.814 1.00 25.11 C ATOM 2112 C CYS A 724 -4.999 -15.720 4.977 1.00 3.15 C ATOM 2113 O CYS A 724 -5.341 -15.832 3.804 1.00 44.53 O ATOM 2114 CB CYS A 724 -7.020 -14.835 6.128 1.00 51.33 C ATOM 2115 SG CYS A 724 -7.729 -13.821 7.469 1.00 22.34 S ATOM 0 H CYS A 724 -5.936 -13.133 4.348 1.00 55.54 H new ATOM 0 HA CYS A 724 -4.995 -14.524 6.761 1.00 25.11 H new ATOM 0 HB2 CYS A 724 -7.599 -14.662 5.221 1.00 51.33 H new ATOM 0 HB3 CYS A 724 -7.142 -15.886 6.389 1.00 51.33 H new ATOM 2120 N PRO A 725 -4.124 -16.561 5.558 1.00 72.22 N ATOM 2121 CA PRO A 725 -3.569 -17.738 4.873 1.00 4.02 C ATOM 2122 C PRO A 725 -4.660 -18.747 4.535 1.00 23.14 C ATOM 2123 O PRO A 725 -5.039 -18.876 3.357 1.00 38.71 O ATOM 2124 CB PRO A 725 -2.601 -18.346 5.905 1.00 24.04 C ATOM 2125 CG PRO A 725 -2.347 -17.265 6.896 1.00 41.32 C ATOM 2126 CD PRO A 725 -3.593 -16.434 6.932 1.00 4.10 C ATOM 2127 OXT PRO A 725 -5.131 -19.435 5.455 1.00 38.71 O ATOM 0 HA PRO A 725 -3.090 -17.474 3.930 1.00 4.02 H new ATOM 0 HB2 PRO A 725 -3.037 -19.223 6.384 1.00 24.04 H new ATOM 0 HB3 PRO A 725 -1.674 -18.670 5.431 1.00 24.04 H new ATOM 0 HG2 PRO A 725 -2.128 -17.681 7.879 1.00 41.32 H new ATOM 0 HG3 PRO A 725 -1.486 -16.664 6.605 1.00 41.32 H new ATOM 0 HD2 PRO A 725 -4.302 -16.803 7.673 1.00 4.10 H new ATOM 0 HD3 PRO A 725 -3.378 -15.396 7.186 1.00 4.10 H new