USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 968 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 653 LYS NZ :NH3+ -178:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 661 THR OG1 : rot 70:sc= 2.14 USER MOD Single : A 580 SER OG : rot 36:sc= 0.0674 USER MOD Single : A 583 THR OG1 : rot 180:sc= 0 USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.4!) USER MOD Single : A 596 SER OG : rot 20:sc= -0.285 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN :FLIP amide:sc= -2! C(o=-6.6!,f=-2!) USER MOD Single : A 610 SER OG : rot -130:sc= -0.246 USER MOD Single : A 611 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.93) USER MOD Single : A 613 ASN :FLIP amide:sc= -1.4 F(o=-2.8!,f=-1.4) USER MOD Single : A 614 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.24) USER MOD Single : A 622 LYS NZ :NH3+ 172:sc= 1.14 (180deg=0.921) USER MOD Single : A 623 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 631 SER OG : rot 158:sc= 0.0348 USER MOD Single : A 632 LYS NZ :NH3+ -107:sc= 0.653 (180deg=-0.146) USER MOD Single : A 639 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.65) USER MOD Single : A 641 GLN :FLIP amide:sc= 0.811 F(o=-0.2,f=0.81) USER MOD Single : A 646 ASN : amide:sc= -3.91! C(o=-3.9!,f=-7.4!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 655 ASN : amide:sc= -1.8 X(o=-1.8,f=-2.2) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 MET CE :methyl -143:sc= -1.92 (180deg=-4.29!) USER MOD Single : A 665 SER OG : rot 68:sc= 1.25 USER MOD Single : A 666 MET CE :methyl 145:sc= -3.06! (180deg=-5.42!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 84:sc= 0.0325 USER MOD Single : A 671 ASN : amide:sc= -0.527 K(o=-0.53,f=-3!) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 159:sc= -0.2 (180deg=-0.716) USER MOD Single : A 677 GLN : amide:sc= -1.32! C(o=-1.3!,f=-2.2!) USER MOD Single : A 685 SER OG : rot 180:sc= 0 USER MOD Single : A 687 CYS SG : rot 180:sc= 0 USER MOD Single : A 688 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 769 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 774 TYR OH : rot 180:sc= 0 USER MOD Single : B 776 SER OG : rot -130:sc= 0.00124 USER MOD Single : B 779 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 579 -13.943 -18.056 3.695 1.00 31.51 N ATOM 2 CA GLY A 579 -13.992 -18.436 2.285 1.00 45.52 C ATOM 3 C GLY A 579 -12.724 -18.045 1.585 1.00 70.11 C ATOM 4 O GLY A 579 -11.663 -18.039 2.199 1.00 44.52 O ATOM 0 HA2 GLY A 579 -14.144 -19.512 2.198 1.00 45.52 H new ATOM 0 HA3 GLY A 579 -14.843 -17.954 1.803 1.00 45.52 H new ATOM 10 N SER A 580 -12.821 -17.701 0.324 1.00 62.02 N ATOM 11 CA SER A 580 -11.663 -17.342 -0.450 1.00 64.10 C ATOM 12 C SER A 580 -11.529 -15.823 -0.564 1.00 25.44 C ATOM 13 O SER A 580 -12.462 -15.141 -1.007 1.00 10.33 O ATOM 14 CB SER A 580 -11.748 -18.004 -1.825 1.00 21.25 C ATOM 15 OG SER A 580 -12.987 -17.702 -2.461 1.00 55.15 O ATOM 0 H SER A 580 -13.701 -17.663 -0.190 1.00 62.02 H new ATOM 0 HA SER A 580 -10.767 -17.702 0.055 1.00 64.10 H new ATOM 0 HB2 SER A 580 -10.922 -17.662 -2.449 1.00 21.25 H new ATOM 0 HB3 SER A 580 -11.643 -19.084 -1.720 1.00 21.25 H new ATOM 0 HG SER A 580 -13.253 -16.785 -2.240 1.00 55.15 H new ATOM 21 N ASP A 581 -10.380 -15.303 -0.112 1.00 75.10 N ATOM 22 CA ASP A 581 -10.027 -13.853 -0.141 1.00 62.11 C ATOM 23 C ASP A 581 -10.788 -13.052 0.915 1.00 53.01 C ATOM 24 O ASP A 581 -10.193 -12.248 1.658 1.00 3.32 O ATOM 25 CB ASP A 581 -10.171 -13.234 -1.554 1.00 20.40 C ATOM 26 CG ASP A 581 -9.814 -11.750 -1.609 1.00 3.43 C ATOM 27 OD1 ASP A 581 -8.608 -11.407 -1.498 1.00 41.24 O ATOM 28 OD2 ASP A 581 -10.730 -10.907 -1.793 1.00 43.40 O ATOM 0 H ASP A 581 -9.645 -15.881 0.296 1.00 75.10 H new ATOM 0 HA ASP A 581 -8.970 -13.792 0.117 1.00 62.11 H new ATOM 0 HB2 ASP A 581 -9.531 -13.779 -2.248 1.00 20.40 H new ATOM 0 HB3 ASP A 581 -11.197 -13.365 -1.897 1.00 20.40 H new ATOM 33 N GLY A 582 -12.063 -13.305 1.013 1.00 53.15 N ATOM 34 CA GLY A 582 -12.885 -12.639 1.966 1.00 4.44 C ATOM 35 C GLY A 582 -13.751 -11.624 1.299 1.00 4.23 C ATOM 36 O GLY A 582 -13.363 -11.037 0.286 1.00 13.21 O ATOM 0 H GLY A 582 -12.556 -13.981 0.430 1.00 53.15 H new ATOM 0 HA2 GLY A 582 -13.506 -13.366 2.489 1.00 4.44 H new ATOM 0 HA3 GLY A 582 -12.260 -12.154 2.717 1.00 4.44 H new ATOM 40 N THR A 583 -14.926 -11.423 1.830 1.00 53.25 N ATOM 41 CA THR A 583 -15.822 -10.443 1.303 1.00 72.42 C ATOM 42 C THR A 583 -15.313 -9.068 1.683 1.00 21.24 C ATOM 43 O THR A 583 -15.503 -8.596 2.806 1.00 13.45 O ATOM 44 CB THR A 583 -17.222 -10.659 1.849 1.00 12.11 C ATOM 45 OG1 THR A 583 -17.590 -12.026 1.606 1.00 12.34 O ATOM 46 CG2 THR A 583 -18.223 -9.747 1.158 1.00 65.53 C ATOM 0 H THR A 583 -15.284 -11.934 2.637 1.00 53.25 H new ATOM 0 HA THR A 583 -15.868 -10.531 0.218 1.00 72.42 H new ATOM 0 HB THR A 583 -17.230 -10.432 2.915 1.00 12.11 H new ATOM 0 HG1 THR A 583 -18.492 -12.189 1.953 1.00 12.34 H new ATOM 0 HG21 THR A 583 -19.218 -9.922 1.568 1.00 65.53 H new ATOM 0 HG22 THR A 583 -17.941 -8.707 1.322 1.00 65.53 H new ATOM 0 HG23 THR A 583 -18.229 -9.957 0.089 1.00 65.53 H new ATOM 54 N ARG A 584 -14.626 -8.466 0.773 1.00 33.11 N ATOM 55 CA ARG A 584 -13.988 -7.212 1.000 1.00 4.21 C ATOM 56 C ARG A 584 -14.044 -6.390 -0.270 1.00 43.44 C ATOM 57 O ARG A 584 -14.335 -6.923 -1.345 1.00 10.34 O ATOM 58 CB ARG A 584 -12.534 -7.476 1.465 1.00 40.44 C ATOM 59 CG ARG A 584 -11.666 -8.164 0.425 1.00 40.20 C ATOM 60 CD ARG A 584 -10.463 -8.868 1.040 1.00 34.44 C ATOM 61 NE ARG A 584 -9.606 -8.003 1.868 1.00 53.41 N ATOM 62 CZ ARG A 584 -8.338 -8.311 2.197 1.00 11.21 C ATOM 63 NH1 ARG A 584 -7.748 -9.380 1.661 1.00 71.31 N ATOM 64 NH2 ARG A 584 -7.662 -7.547 3.048 1.00 20.11 N ATOM 0 H ARG A 584 -14.489 -8.837 -0.167 1.00 33.11 H new ATOM 0 HA ARG A 584 -14.495 -6.645 1.780 1.00 4.21 H new ATOM 0 HB2 ARG A 584 -12.073 -6.527 1.737 1.00 40.44 H new ATOM 0 HB3 ARG A 584 -12.558 -8.089 2.366 1.00 40.44 H new ATOM 0 HG2 ARG A 584 -12.267 -8.890 -0.122 1.00 40.20 H new ATOM 0 HG3 ARG A 584 -11.320 -7.427 -0.299 1.00 40.20 H new ATOM 0 HD2 ARG A 584 -10.817 -9.698 1.651 1.00 34.44 H new ATOM 0 HD3 ARG A 584 -9.860 -9.296 0.239 1.00 34.44 H new ATOM 0 HE ARG A 584 -9.994 -7.124 2.210 1.00 53.41 H new ATOM 0 HH11 ARG A 584 -8.258 -9.966 1.000 1.00 71.31 H new ATOM 0 HH12 ARG A 584 -6.787 -9.611 1.912 1.00 71.31 H new ATOM 0 HH21 ARG A 584 -8.104 -6.723 3.455 1.00 20.11 H new ATOM 0 HH22 ARG A 584 -6.701 -7.785 3.294 1.00 20.11 H new ATOM 78 N GLU A 585 -13.821 -5.121 -0.146 1.00 55.35 N ATOM 79 CA GLU A 585 -13.837 -4.218 -1.275 1.00 12.34 C ATOM 80 C GLU A 585 -12.789 -3.155 -1.076 1.00 73.24 C ATOM 81 O GLU A 585 -12.459 -2.807 0.072 1.00 45.44 O ATOM 82 CB GLU A 585 -15.224 -3.594 -1.443 1.00 10.44 C ATOM 83 CG GLU A 585 -15.725 -2.914 -0.196 1.00 71.54 C ATOM 84 CD GLU A 585 -17.091 -2.328 -0.355 1.00 32.21 C ATOM 85 OE1 GLU A 585 -18.057 -3.089 -0.524 1.00 71.11 O ATOM 86 OE2 GLU A 585 -17.230 -1.101 -0.264 1.00 30.35 O ATOM 0 H GLU A 585 -13.620 -4.668 0.746 1.00 55.35 H new ATOM 0 HA GLU A 585 -13.611 -4.773 -2.186 1.00 12.34 H new ATOM 0 HB2 GLU A 585 -15.193 -2.869 -2.256 1.00 10.44 H new ATOM 0 HB3 GLU A 585 -15.931 -4.370 -1.735 1.00 10.44 H new ATOM 0 HG2 GLU A 585 -15.738 -3.634 0.623 1.00 71.54 H new ATOM 0 HG3 GLU A 585 -15.028 -2.124 0.085 1.00 71.54 H new ATOM 93 N PHE A 586 -12.256 -2.653 -2.160 1.00 22.14 N ATOM 94 CA PHE A 586 -11.194 -1.670 -2.104 1.00 31.13 C ATOM 95 C PHE A 586 -11.728 -0.296 -2.383 1.00 53.42 C ATOM 96 O PHE A 586 -12.307 -0.048 -3.449 1.00 62.00 O ATOM 97 CB PHE A 586 -10.091 -1.991 -3.123 1.00 0.14 C ATOM 98 CG PHE A 586 -9.256 -3.204 -2.818 1.00 0.44 C ATOM 99 CD1 PHE A 586 -9.720 -4.211 -1.998 1.00 52.42 C ATOM 100 CD2 PHE A 586 -8.002 -3.326 -3.363 1.00 74.11 C ATOM 101 CE1 PHE A 586 -8.960 -5.308 -1.723 1.00 60.32 C ATOM 102 CE2 PHE A 586 -7.227 -4.427 -3.099 1.00 74.21 C ATOM 103 CZ PHE A 586 -7.705 -5.426 -2.276 1.00 52.55 C ATOM 0 H PHE A 586 -12.541 -2.910 -3.105 1.00 22.14 H new ATOM 0 HA PHE A 586 -10.774 -1.702 -1.099 1.00 31.13 H new ATOM 0 HB2 PHE A 586 -10.553 -2.127 -4.101 1.00 0.14 H new ATOM 0 HB3 PHE A 586 -9.430 -1.128 -3.200 1.00 0.14 H new ATOM 0 HD1 PHE A 586 -10.706 -4.128 -1.565 1.00 52.42 H new ATOM 0 HD2 PHE A 586 -7.621 -2.547 -4.007 1.00 74.11 H new ATOM 0 HE1 PHE A 586 -9.341 -6.082 -1.073 1.00 60.32 H new ATOM 0 HE2 PHE A 586 -6.243 -4.512 -3.535 1.00 74.21 H new ATOM 0 HZ PHE A 586 -7.098 -6.295 -2.067 1.00 52.55 H new ATOM 113 N LEU A 587 -11.532 0.596 -1.463 1.00 20.33 N ATOM 114 CA LEU A 587 -11.962 1.955 -1.626 1.00 44.43 C ATOM 115 C LEU A 587 -10.770 2.823 -1.848 1.00 54.13 C ATOM 116 O LEU A 587 -9.689 2.561 -1.308 1.00 23.04 O ATOM 117 CB LEU A 587 -12.760 2.483 -0.421 1.00 61.12 C ATOM 118 CG LEU A 587 -14.110 1.820 -0.103 1.00 34.22 C ATOM 119 CD1 LEU A 587 -15.029 1.811 -1.310 1.00 41.21 C ATOM 120 CD2 LEU A 587 -13.949 0.433 0.491 1.00 62.54 C ATOM 0 H LEU A 587 -11.069 0.405 -0.575 1.00 20.33 H new ATOM 0 HA LEU A 587 -12.630 1.980 -2.487 1.00 44.43 H new ATOM 0 HB2 LEU A 587 -12.128 2.394 0.463 1.00 61.12 H new ATOM 0 HB3 LEU A 587 -12.939 3.546 -0.579 1.00 61.12 H new ATOM 0 HG LEU A 587 -14.585 2.433 0.663 1.00 34.22 H new ATOM 0 HD11 LEU A 587 -15.973 1.334 -1.045 1.00 41.21 H new ATOM 0 HD12 LEU A 587 -15.218 2.835 -1.631 1.00 41.21 H new ATOM 0 HD13 LEU A 587 -14.558 1.257 -2.122 1.00 41.21 H new ATOM 0 HD21 LEU A 587 -14.932 0.009 0.697 1.00 62.54 H new ATOM 0 HD22 LEU A 587 -13.419 -0.206 -0.215 1.00 62.54 H new ATOM 0 HD23 LEU A 587 -13.380 0.498 1.419 1.00 62.54 H new ATOM 132 N THR A 588 -10.940 3.826 -2.627 1.00 33.51 N ATOM 133 CA THR A 588 -9.878 4.722 -2.910 1.00 64.15 C ATOM 134 C THR A 588 -10.184 6.055 -2.252 1.00 51.20 C ATOM 135 O THR A 588 -11.225 6.667 -2.520 1.00 64.41 O ATOM 136 CB THR A 588 -9.760 4.931 -4.430 1.00 4.12 C ATOM 137 OG1 THR A 588 -9.710 3.649 -5.091 1.00 12.02 O ATOM 138 CG2 THR A 588 -8.499 5.715 -4.773 1.00 1.15 C ATOM 0 H THR A 588 -11.821 4.051 -3.089 1.00 33.51 H new ATOM 0 HA THR A 588 -8.942 4.313 -2.530 1.00 64.15 H new ATOM 0 HB THR A 588 -10.629 5.495 -4.767 1.00 4.12 H new ATOM 0 HG1 THR A 588 -9.637 3.783 -6.059 1.00 12.02 H new ATOM 0 HG21 THR A 588 -8.437 5.850 -5.853 1.00 1.15 H new ATOM 0 HG22 THR A 588 -8.533 6.690 -4.286 1.00 1.15 H new ATOM 0 HG23 THR A 588 -7.624 5.166 -4.425 1.00 1.15 H new ATOM 146 N PHE A 589 -9.310 6.489 -1.392 1.00 61.22 N ATOM 147 CA PHE A 589 -9.458 7.761 -0.756 1.00 20.23 C ATOM 148 C PHE A 589 -8.304 8.646 -1.105 1.00 62.44 C ATOM 149 O PHE A 589 -7.159 8.246 -0.980 1.00 41.54 O ATOM 150 CB PHE A 589 -9.591 7.616 0.761 1.00 25.41 C ATOM 151 CG PHE A 589 -10.841 6.913 1.134 1.00 54.02 C ATOM 152 CD1 PHE A 589 -12.049 7.451 0.767 1.00 54.23 C ATOM 153 CD2 PHE A 589 -10.822 5.723 1.832 1.00 23.30 C ATOM 154 CE1 PHE A 589 -13.217 6.835 1.075 1.00 40.52 C ATOM 155 CE2 PHE A 589 -12.000 5.087 2.156 1.00 2.01 C ATOM 156 CZ PHE A 589 -13.204 5.646 1.775 1.00 20.31 C ATOM 0 H PHE A 589 -8.477 5.971 -1.113 1.00 61.22 H new ATOM 0 HA PHE A 589 -10.377 8.219 -1.122 1.00 20.23 H new ATOM 0 HB2 PHE A 589 -8.734 7.067 1.151 1.00 25.41 H new ATOM 0 HB3 PHE A 589 -9.576 8.603 1.224 1.00 25.41 H new ATOM 0 HD1 PHE A 589 -12.070 8.383 0.222 1.00 54.23 H new ATOM 0 HD2 PHE A 589 -9.878 5.288 2.126 1.00 23.30 H new ATOM 0 HE1 PHE A 589 -14.156 7.274 0.773 1.00 40.52 H new ATOM 0 HE2 PHE A 589 -11.982 4.157 2.705 1.00 2.01 H new ATOM 0 HZ PHE A 589 -14.133 5.154 2.024 1.00 20.31 H new ATOM 166 N GLU A 590 -8.595 9.812 -1.573 1.00 62.11 N ATOM 167 CA GLU A 590 -7.578 10.760 -1.924 1.00 22.23 C ATOM 168 C GLU A 590 -7.636 11.902 -0.948 1.00 61.11 C ATOM 169 O GLU A 590 -8.643 12.578 -0.829 1.00 5.54 O ATOM 170 CB GLU A 590 -7.750 11.219 -3.361 1.00 31.43 C ATOM 171 CG GLU A 590 -7.603 10.073 -4.365 1.00 63.52 C ATOM 172 CD GLU A 590 -7.851 10.480 -5.790 1.00 53.22 C ATOM 173 OE1 GLU A 590 -6.987 11.154 -6.387 1.00 44.21 O ATOM 174 OE2 GLU A 590 -8.924 10.142 -6.337 1.00 40.51 O ATOM 0 H GLU A 590 -9.548 10.142 -1.726 1.00 62.11 H new ATOM 0 HA GLU A 590 -6.591 10.301 -1.864 1.00 22.23 H new ATOM 0 HB2 GLU A 590 -8.733 11.676 -3.478 1.00 31.43 H new ATOM 0 HB3 GLU A 590 -7.012 11.989 -3.584 1.00 31.43 H new ATOM 0 HG2 GLU A 590 -6.598 9.659 -4.285 1.00 63.52 H new ATOM 0 HG3 GLU A 590 -8.298 9.277 -4.098 1.00 63.52 H new ATOM 181 N VAL A 591 -6.569 12.089 -0.260 1.00 62.34 N ATOM 182 CA VAL A 591 -6.488 13.009 0.836 1.00 41.22 C ATOM 183 C VAL A 591 -5.489 14.093 0.517 1.00 33.31 C ATOM 184 O VAL A 591 -4.323 13.816 0.327 1.00 74.52 O ATOM 185 CB VAL A 591 -6.019 12.250 2.116 1.00 1.21 C ATOM 186 CG1 VAL A 591 -5.888 13.184 3.310 1.00 64.01 C ATOM 187 CG2 VAL A 591 -6.976 11.122 2.444 1.00 71.55 C ATOM 0 H VAL A 591 -5.696 11.595 -0.443 1.00 62.34 H new ATOM 0 HA VAL A 591 -7.469 13.452 1.005 1.00 41.22 H new ATOM 0 HB VAL A 591 -5.033 11.835 1.905 1.00 1.21 H new ATOM 0 HG11 VAL A 591 -5.559 12.617 4.181 1.00 64.01 H new ATOM 0 HG12 VAL A 591 -5.157 13.961 3.086 1.00 64.01 H new ATOM 0 HG13 VAL A 591 -6.854 13.644 3.520 1.00 64.01 H new ATOM 0 HG21 VAL A 591 -6.634 10.603 3.339 1.00 71.55 H new ATOM 0 HG22 VAL A 591 -7.972 11.529 2.619 1.00 71.55 H new ATOM 0 HG23 VAL A 591 -7.012 10.421 1.610 1.00 71.55 H new ATOM 197 N PRO A 592 -5.916 15.330 0.434 1.00 31.05 N ATOM 198 CA PRO A 592 -5.012 16.422 0.201 1.00 61.15 C ATOM 199 C PRO A 592 -4.283 16.788 1.478 1.00 64.03 C ATOM 200 O PRO A 592 -4.825 16.625 2.590 1.00 40.54 O ATOM 201 CB PRO A 592 -5.926 17.552 -0.247 1.00 15.14 C ATOM 202 CG PRO A 592 -7.218 17.272 0.424 1.00 12.34 C ATOM 203 CD PRO A 592 -7.318 15.776 0.551 1.00 44.21 C ATOM 0 HA PRO A 592 -4.239 16.190 -0.532 1.00 61.15 H new ATOM 0 HB2 PRO A 592 -5.529 18.524 0.046 1.00 15.14 H new ATOM 0 HB3 PRO A 592 -6.037 17.567 -1.331 1.00 15.14 H new ATOM 0 HG2 PRO A 592 -7.257 17.748 1.404 1.00 12.34 H new ATOM 0 HG3 PRO A 592 -8.051 17.669 -0.157 1.00 12.34 H new ATOM 0 HD2 PRO A 592 -7.755 15.482 1.505 1.00 44.21 H new ATOM 0 HD3 PRO A 592 -7.943 15.347 -0.232 1.00 44.21 H new ATOM 211 N LEU A 593 -3.067 17.251 1.347 1.00 21.53 N ATOM 212 CA LEU A 593 -2.313 17.683 2.497 1.00 42.21 C ATOM 213 C LEU A 593 -2.797 19.038 2.957 1.00 14.40 C ATOM 214 O LEU A 593 -2.202 20.079 2.689 1.00 61.31 O ATOM 215 CB LEU A 593 -0.771 17.630 2.304 1.00 24.42 C ATOM 216 CG LEU A 593 -0.088 16.231 2.301 1.00 33.23 C ATOM 217 CD1 LEU A 593 -0.316 15.512 3.621 1.00 13.12 C ATOM 218 CD2 LEU A 593 -0.546 15.362 1.135 1.00 42.52 C ATOM 0 H LEU A 593 -2.577 17.339 0.457 1.00 21.53 H new ATOM 0 HA LEU A 593 -2.503 16.960 3.290 1.00 42.21 H new ATOM 0 HB2 LEU A 593 -0.535 18.120 1.360 1.00 24.42 H new ATOM 0 HB3 LEU A 593 -0.314 18.224 3.095 1.00 24.42 H new ATOM 0 HG LEU A 593 0.981 16.404 2.174 1.00 33.23 H new ATOM 0 HD11 LEU A 593 0.171 14.537 3.593 1.00 13.12 H new ATOM 0 HD12 LEU A 593 0.103 16.104 4.435 1.00 13.12 H new ATOM 0 HD13 LEU A 593 -1.386 15.379 3.783 1.00 13.12 H new ATOM 0 HD21 LEU A 593 -0.040 14.398 1.179 1.00 42.52 H new ATOM 0 HD22 LEU A 593 -1.624 15.210 1.196 1.00 42.52 H new ATOM 0 HD23 LEU A 593 -0.302 15.857 0.195 1.00 42.52 H new ATOM 230 N ASN A 594 -3.949 19.005 3.546 1.00 44.44 N ATOM 231 CA ASN A 594 -4.588 20.196 4.080 1.00 42.31 C ATOM 232 C ASN A 594 -4.517 20.126 5.579 1.00 54.33 C ATOM 233 O ASN A 594 -3.796 20.898 6.222 1.00 44.45 O ATOM 234 CB ASN A 594 -6.050 20.290 3.593 1.00 51.25 C ATOM 235 CG ASN A 594 -6.785 21.558 4.043 1.00 74.34 C ATOM 236 OD1 ASN A 594 -6.517 22.125 5.090 1.00 31.34 O ATOM 237 ND2 ASN A 594 -7.728 21.992 3.253 1.00 1.54 N ATOM 0 H ASN A 594 -4.489 18.150 3.678 1.00 44.44 H new ATOM 0 HA ASN A 594 -4.076 21.092 3.730 1.00 42.31 H new ATOM 0 HB2 ASN A 594 -6.061 20.245 2.504 1.00 51.25 H new ATOM 0 HB3 ASN A 594 -6.598 19.419 3.954 1.00 51.25 H new ATOM 0 HD21 ASN A 594 -8.262 22.824 3.505 1.00 1.54 H new ATOM 0 HD22 ASN A 594 -7.932 21.499 2.383 1.00 1.54 H new ATOM 244 N ASP A 595 -5.231 19.175 6.145 1.00 21.23 N ATOM 245 CA ASP A 595 -5.163 18.932 7.568 1.00 33.31 C ATOM 246 C ASP A 595 -4.033 18.019 7.829 1.00 64.23 C ATOM 247 O ASP A 595 -4.189 16.812 8.036 1.00 51.33 O ATOM 248 CB ASP A 595 -6.473 18.401 8.163 1.00 61.10 C ATOM 249 CG ASP A 595 -7.623 19.368 8.056 1.00 65.45 C ATOM 250 OD1 ASP A 595 -8.249 19.465 6.988 1.00 32.14 O ATOM 251 OD2 ASP A 595 -7.929 20.050 9.047 1.00 73.45 O ATOM 0 H ASP A 595 -5.866 18.558 5.639 1.00 21.23 H new ATOM 0 HA ASP A 595 -5.001 19.886 8.071 1.00 33.31 H new ATOM 0 HB2 ASP A 595 -6.742 17.474 7.657 1.00 61.10 H new ATOM 0 HB3 ASP A 595 -6.312 18.157 9.213 1.00 61.10 H new ATOM 256 N SER A 596 -2.897 18.592 7.705 1.00 30.45 N ATOM 257 CA SER A 596 -1.681 17.961 7.900 1.00 11.13 C ATOM 258 C SER A 596 -0.779 18.952 8.540 1.00 62.13 C ATOM 259 O SER A 596 -0.750 20.139 8.167 1.00 43.25 O ATOM 260 CB SER A 596 -1.094 17.482 6.571 1.00 73.33 C ATOM 261 OG SER A 596 0.145 16.803 6.763 1.00 4.21 O ATOM 0 H SER A 596 -2.802 19.575 7.448 1.00 30.45 H new ATOM 0 HA SER A 596 -1.803 17.080 8.530 1.00 11.13 H new ATOM 0 HB2 SER A 596 -1.802 16.817 6.078 1.00 73.33 H new ATOM 0 HB3 SER A 596 -0.944 18.335 5.909 1.00 73.33 H new ATOM 0 HG SER A 596 0.217 16.511 7.696 1.00 4.21 H new ATOM 267 N GLY A 597 -0.118 18.501 9.500 1.00 32.12 N ATOM 268 CA GLY A 597 0.820 19.286 10.207 1.00 5.31 C ATOM 269 C GLY A 597 1.159 18.620 11.489 1.00 43.21 C ATOM 270 O GLY A 597 2.331 18.505 11.852 1.00 60.04 O ATOM 0 H GLY A 597 -0.203 17.544 9.843 1.00 32.12 H new ATOM 0 HA2 GLY A 597 1.720 19.423 9.608 1.00 5.31 H new ATOM 0 HA3 GLY A 597 0.410 20.278 10.398 1.00 5.31 H new ATOM 274 N SER A 598 0.137 18.163 12.178 1.00 71.24 N ATOM 275 CA SER A 598 0.326 17.407 13.382 1.00 31.30 C ATOM 276 C SER A 598 0.629 15.973 12.991 1.00 25.31 C ATOM 277 O SER A 598 1.392 15.264 13.652 1.00 13.54 O ATOM 278 CB SER A 598 -0.908 17.512 14.296 1.00 41.31 C ATOM 279 OG SER A 598 -0.693 16.864 15.546 1.00 64.14 O ATOM 0 H SER A 598 -0.838 18.307 11.917 1.00 71.24 H new ATOM 0 HA SER A 598 1.162 17.806 13.956 1.00 31.30 H new ATOM 0 HB2 SER A 598 -1.147 18.562 14.466 1.00 41.31 H new ATOM 0 HB3 SER A 598 -1.769 17.066 13.798 1.00 41.31 H new ATOM 0 HG SER A 598 -1.495 16.951 16.102 1.00 64.14 H new ATOM 285 N ALA A 599 0.047 15.591 11.900 1.00 12.13 N ATOM 286 CA ALA A 599 0.244 14.337 11.288 1.00 64.01 C ATOM 287 C ALA A 599 0.082 14.561 9.803 1.00 44.24 C ATOM 288 O ALA A 599 -0.087 15.708 9.359 1.00 72.31 O ATOM 289 CB ALA A 599 -0.778 13.327 11.803 1.00 12.35 C ATOM 0 H ALA A 599 -0.611 16.184 11.394 1.00 12.13 H new ATOM 0 HA ALA A 599 1.230 13.932 11.515 1.00 64.01 H new ATOM 0 HB1 ALA A 599 -0.612 12.364 11.321 1.00 12.35 H new ATOM 0 HB2 ALA A 599 -0.668 13.216 12.882 1.00 12.35 H new ATOM 0 HB3 ALA A 599 -1.784 13.679 11.575 1.00 12.35 H new ATOM 295 N GLY A 600 0.130 13.534 9.062 1.00 14.02 N ATOM 296 CA GLY A 600 -0.030 13.638 7.639 1.00 1.11 C ATOM 297 C GLY A 600 -1.463 13.464 7.277 1.00 0.45 C ATOM 298 O GLY A 600 -2.095 14.355 6.715 1.00 73.23 O ATOM 0 H GLY A 600 0.281 12.585 9.405 1.00 14.02 H new ATOM 0 HA2 GLY A 600 0.326 14.609 7.294 1.00 1.11 H new ATOM 0 HA3 GLY A 600 0.575 12.881 7.140 1.00 1.11 H new ATOM 302 N LEU A 601 -1.983 12.326 7.614 1.00 32.50 N ATOM 303 CA LEU A 601 -3.363 12.015 7.372 1.00 34.34 C ATOM 304 C LEU A 601 -4.094 12.010 8.660 1.00 42.50 C ATOM 305 O LEU A 601 -5.301 12.275 8.710 1.00 22.03 O ATOM 306 CB LEU A 601 -3.525 10.649 6.693 1.00 14.02 C ATOM 307 CG LEU A 601 -3.052 10.538 5.239 1.00 1.04 C ATOM 308 CD1 LEU A 601 -1.572 10.672 5.120 1.00 60.50 C ATOM 309 CD2 LEU A 601 -3.518 9.251 4.621 1.00 51.53 C ATOM 0 H LEU A 601 -1.460 11.578 8.069 1.00 32.50 H new ATOM 0 HA LEU A 601 -3.769 12.774 6.704 1.00 34.34 H new ATOM 0 HB2 LEU A 601 -2.983 9.910 7.284 1.00 14.02 H new ATOM 0 HB3 LEU A 601 -4.579 10.375 6.729 1.00 14.02 H new ATOM 0 HG LEU A 601 -3.499 11.368 4.693 1.00 1.04 H new ATOM 0 HD11 LEU A 601 -1.282 10.587 4.073 1.00 60.50 H new ATOM 0 HD12 LEU A 601 -1.263 11.644 5.504 1.00 60.50 H new ATOM 0 HD13 LEU A 601 -1.088 9.883 5.696 1.00 60.50 H new ATOM 0 HD21 LEU A 601 -3.170 9.196 3.590 1.00 51.53 H new ATOM 0 HD22 LEU A 601 -3.116 8.410 5.185 1.00 51.53 H new ATOM 0 HD23 LEU A 601 -4.607 9.212 4.639 1.00 51.53 H new ATOM 321 N GLY A 602 -3.362 11.703 9.702 1.00 30.33 N ATOM 322 CA GLY A 602 -3.906 11.627 10.980 1.00 24.23 C ATOM 323 C GLY A 602 -4.539 10.305 11.163 1.00 2.24 C ATOM 324 O GLY A 602 -5.699 10.199 11.531 1.00 0.03 O ATOM 0 H GLY A 602 -2.363 11.502 9.657 1.00 30.33 H new ATOM 0 HA2 GLY A 602 -3.128 11.777 11.728 1.00 24.23 H new ATOM 0 HA3 GLY A 602 -4.642 12.418 11.122 1.00 24.23 H new ATOM 328 N VAL A 603 -3.812 9.277 10.843 1.00 41.02 N ATOM 329 CA VAL A 603 -4.290 7.965 11.083 1.00 20.25 C ATOM 330 C VAL A 603 -3.175 7.208 11.758 1.00 14.35 C ATOM 331 O VAL A 603 -1.996 7.522 11.562 1.00 74.01 O ATOM 332 CB VAL A 603 -4.669 7.227 9.746 1.00 60.21 C ATOM 333 CG1 VAL A 603 -5.354 5.906 10.015 1.00 32.21 C ATOM 334 CG2 VAL A 603 -5.514 8.093 8.825 1.00 75.43 C ATOM 0 H VAL A 603 -2.887 9.330 10.416 1.00 41.02 H new ATOM 0 HA VAL A 603 -5.189 8.014 11.697 1.00 20.25 H new ATOM 0 HB VAL A 603 -3.730 7.025 9.230 1.00 60.21 H new ATOM 0 HG11 VAL A 603 -5.601 5.425 9.069 1.00 32.21 H new ATOM 0 HG12 VAL A 603 -4.688 5.261 10.587 1.00 32.21 H new ATOM 0 HG13 VAL A 603 -6.268 6.079 10.583 1.00 32.21 H new ATOM 0 HG21 VAL A 603 -5.748 7.537 7.917 1.00 75.43 H new ATOM 0 HG22 VAL A 603 -6.439 8.368 9.331 1.00 75.43 H new ATOM 0 HG23 VAL A 603 -4.961 8.996 8.566 1.00 75.43 H new ATOM 344 N SER A 604 -3.514 6.257 12.543 1.00 5.00 N ATOM 345 CA SER A 604 -2.553 5.407 13.112 1.00 13.44 C ATOM 346 C SER A 604 -2.785 4.053 12.562 1.00 14.11 C ATOM 347 O SER A 604 -3.933 3.572 12.515 1.00 31.13 O ATOM 348 CB SER A 604 -2.643 5.391 14.635 1.00 45.11 C ATOM 349 OG SER A 604 -2.489 6.700 15.154 1.00 22.41 O ATOM 0 H SER A 604 -4.477 6.048 12.808 1.00 5.00 H new ATOM 0 HA SER A 604 -1.552 5.762 12.866 1.00 13.44 H new ATOM 0 HB2 SER A 604 -3.605 4.981 14.944 1.00 45.11 H new ATOM 0 HB3 SER A 604 -1.872 4.738 15.044 1.00 45.11 H new ATOM 0 HG SER A 604 -2.551 6.674 16.132 1.00 22.41 H new ATOM 355 N VAL A 605 -1.756 3.451 12.141 1.00 52.52 N ATOM 356 CA VAL A 605 -1.806 2.150 11.619 1.00 64.23 C ATOM 357 C VAL A 605 -0.879 1.245 12.343 1.00 11.31 C ATOM 358 O VAL A 605 -0.004 1.689 13.069 1.00 35.03 O ATOM 359 CB VAL A 605 -1.486 2.071 10.133 1.00 1.21 C ATOM 360 CG1 VAL A 605 -2.685 2.431 9.278 1.00 53.42 C ATOM 361 CG2 VAL A 605 -0.306 2.954 9.748 1.00 24.33 C ATOM 0 H VAL A 605 -0.822 3.860 12.148 1.00 52.52 H new ATOM 0 HA VAL A 605 -2.840 1.834 11.757 1.00 64.23 H new ATOM 0 HB VAL A 605 -1.215 1.032 9.942 1.00 1.21 H new ATOM 0 HG11 VAL A 605 -2.414 2.362 8.224 1.00 53.42 H new ATOM 0 HG12 VAL A 605 -3.502 1.741 9.489 1.00 53.42 H new ATOM 0 HG13 VAL A 605 -3.002 3.449 9.506 1.00 53.42 H new ATOM 0 HG21 VAL A 605 -0.117 2.863 8.678 1.00 24.33 H new ATOM 0 HG22 VAL A 605 -0.535 3.992 9.989 1.00 24.33 H new ATOM 0 HG23 VAL A 605 0.579 2.640 10.301 1.00 24.33 H new ATOM 371 N LYS A 606 -1.103 0.001 12.182 1.00 15.13 N ATOM 372 CA LYS A 606 -0.287 -1.023 12.761 1.00 12.30 C ATOM 373 C LYS A 606 -0.316 -2.223 11.882 1.00 14.13 C ATOM 374 O LYS A 606 -1.267 -2.423 11.140 1.00 60.25 O ATOM 375 CB LYS A 606 -0.698 -1.391 14.178 1.00 60.31 C ATOM 376 CG LYS A 606 -2.058 -2.015 14.297 1.00 23.40 C ATOM 377 CD LYS A 606 -2.325 -2.413 15.721 1.00 44.51 C ATOM 378 CE LYS A 606 -3.688 -3.041 15.860 1.00 44.31 C ATOM 379 NZ LYS A 606 -3.992 -3.403 17.250 1.00 44.21 N ATOM 0 H LYS A 606 -1.881 -0.359 11.628 1.00 15.13 H new ATOM 0 HA LYS A 606 0.727 -0.630 12.836 1.00 12.30 H new ATOM 0 HB2 LYS A 606 0.040 -2.081 14.588 1.00 60.31 H new ATOM 0 HB3 LYS A 606 -0.671 -0.492 14.794 1.00 60.31 H new ATOM 0 HG2 LYS A 606 -2.819 -1.312 13.960 1.00 23.40 H new ATOM 0 HG3 LYS A 606 -2.123 -2.889 13.649 1.00 23.40 H new ATOM 0 HD2 LYS A 606 -1.561 -3.115 16.055 1.00 44.51 H new ATOM 0 HD3 LYS A 606 -2.257 -1.537 16.366 1.00 44.51 H new ATOM 0 HE2 LYS A 606 -4.445 -2.348 15.493 1.00 44.31 H new ATOM 0 HE3 LYS A 606 -3.741 -3.932 15.234 1.00 44.31 H new ATOM 0 HZ1 LYS A 606 -4.939 -3.831 17.298 1.00 44.21 H new ATOM 0 HZ2 LYS A 606 -3.286 -4.085 17.594 1.00 44.21 H new ATOM 0 HZ3 LYS A 606 -3.967 -2.550 17.844 1.00 44.21 H new ATOM 393 N GLY A 607 0.691 -2.991 11.933 1.00 31.01 N ATOM 394 CA GLY A 607 0.730 -4.144 11.121 1.00 32.33 C ATOM 395 C GLY A 607 0.492 -5.366 11.916 1.00 10.14 C ATOM 396 O GLY A 607 0.773 -5.402 13.109 1.00 70.20 O ATOM 0 H GLY A 607 1.506 -2.848 12.529 1.00 31.01 H new ATOM 0 HA2 GLY A 607 -0.023 -4.065 10.337 1.00 32.33 H new ATOM 0 HA3 GLY A 607 1.699 -4.211 10.627 1.00 32.33 H new ATOM 400 N ASN A 608 -0.030 -6.358 11.282 1.00 43.24 N ATOM 401 CA ASN A 608 -0.297 -7.606 11.924 1.00 63.22 C ATOM 402 C ASN A 608 0.438 -8.673 11.140 1.00 51.03 C ATOM 403 O ASN A 608 0.368 -8.711 9.924 1.00 60.23 O ATOM 404 CB ASN A 608 -1.826 -7.872 11.936 1.00 74.41 C ATOM 405 CG ASN A 608 -2.306 -9.081 12.782 1.00 10.12 C ATOM 406 OD1 ASN A 608 -1.499 -10.112 12.940 1.00 61.32 O flip ATOM 407 ND2 ASN A 608 -3.427 -9.075 13.287 1.00 73.33 N flip ATOM 0 H ASN A 608 -0.287 -6.330 10.295 1.00 43.24 H new ATOM 0 HA ASN A 608 0.041 -7.603 12.960 1.00 63.22 H new ATOM 0 HB2 ASN A 608 -2.326 -6.976 12.304 1.00 74.41 H new ATOM 0 HB3 ASN A 608 -2.156 -8.021 10.908 1.00 74.41 H new ATOM 0 HD21 ASN A 608 -4.041 -8.271 13.157 1.00 73.33 H new ATOM 0 HD22 ASN A 608 -3.743 -9.874 13.836 1.00 73.33 H new ATOM 414 N ARG A 609 1.172 -9.496 11.814 1.00 31.11 N ATOM 415 CA ARG A 609 1.872 -10.582 11.184 1.00 12.42 C ATOM 416 C ARG A 609 1.545 -11.883 11.894 1.00 44.21 C ATOM 417 O ARG A 609 1.417 -11.912 13.123 1.00 1.03 O ATOM 418 CB ARG A 609 3.389 -10.301 11.121 1.00 34.13 C ATOM 419 CG ARG A 609 4.209 -11.407 10.466 1.00 43.02 C ATOM 420 CD ARG A 609 5.650 -10.979 10.223 1.00 11.24 C ATOM 421 NE ARG A 609 6.355 -10.588 11.445 1.00 5.40 N ATOM 422 CZ ARG A 609 7.662 -10.278 11.498 1.00 30.23 C ATOM 423 NH1 ARG A 609 8.417 -10.351 10.397 1.00 4.14 N ATOM 424 NH2 ARG A 609 8.206 -9.895 12.642 1.00 64.12 N ATOM 0 H ARG A 609 1.308 -9.439 12.823 1.00 31.11 H new ATOM 0 HA ARG A 609 1.538 -10.678 10.151 1.00 12.42 H new ATOM 0 HB2 ARG A 609 3.552 -9.373 10.574 1.00 34.13 H new ATOM 0 HB3 ARG A 609 3.759 -10.143 12.134 1.00 34.13 H new ATOM 0 HG2 ARG A 609 4.196 -12.293 11.101 1.00 43.02 H new ATOM 0 HG3 ARG A 609 3.749 -11.687 9.518 1.00 43.02 H new ATOM 0 HD2 ARG A 609 6.189 -11.798 9.748 1.00 11.24 H new ATOM 0 HD3 ARG A 609 5.660 -10.143 9.524 1.00 11.24 H new ATOM 0 HE ARG A 609 5.820 -10.548 12.312 1.00 5.40 H new ATOM 0 HH11 ARG A 609 8.002 -10.643 9.512 1.00 4.14 H new ATOM 0 HH12 ARG A 609 9.408 -10.115 10.442 1.00 4.14 H new ATOM 0 HH21 ARG A 609 7.634 -9.835 13.484 1.00 64.12 H new ATOM 0 HH22 ARG A 609 9.198 -9.660 12.682 1.00 64.12 H new ATOM 438 N SER A 610 1.348 -12.915 11.117 1.00 11.54 N ATOM 439 CA SER A 610 0.986 -14.235 11.622 1.00 53.23 C ATOM 440 C SER A 610 2.215 -15.034 12.072 1.00 52.33 C ATOM 441 O SER A 610 3.297 -14.911 11.485 1.00 2.12 O ATOM 442 CB SER A 610 0.281 -14.988 10.511 1.00 2.54 C ATOM 443 OG SER A 610 -0.839 -14.269 10.064 1.00 22.32 O ATOM 0 H SER A 610 1.433 -12.874 10.101 1.00 11.54 H new ATOM 0 HA SER A 610 0.340 -14.110 12.491 1.00 53.23 H new ATOM 0 HB2 SER A 610 0.969 -15.153 9.682 1.00 2.54 H new ATOM 0 HB3 SER A 610 -0.029 -15.970 10.869 1.00 2.54 H new ATOM 0 HG SER A 610 -1.620 -14.860 10.043 1.00 22.32 H new ATOM 449 N LYS A 611 2.039 -15.866 13.093 1.00 62.45 N ATOM 450 CA LYS A 611 3.118 -16.707 13.604 1.00 25.23 C ATOM 451 C LYS A 611 3.205 -18.017 12.797 1.00 2.50 C ATOM 452 O LYS A 611 4.241 -18.349 12.253 1.00 72.23 O ATOM 453 CB LYS A 611 2.929 -17.017 15.126 1.00 52.15 C ATOM 454 CG LYS A 611 1.630 -17.755 15.467 1.00 33.40 C ATOM 455 CD LYS A 611 1.517 -18.134 16.931 1.00 65.53 C ATOM 456 CE LYS A 611 0.234 -18.928 17.165 1.00 73.30 C ATOM 457 NZ LYS A 611 0.049 -19.319 18.574 1.00 40.44 N ATOM 0 H LYS A 611 1.153 -15.977 13.587 1.00 62.45 H new ATOM 0 HA LYS A 611 4.052 -16.158 13.489 1.00 25.23 H new ATOM 0 HB2 LYS A 611 3.773 -17.615 15.470 1.00 52.15 H new ATOM 0 HB3 LYS A 611 2.956 -16.079 15.681 1.00 52.15 H new ATOM 0 HG2 LYS A 611 0.782 -17.126 15.196 1.00 33.40 H new ATOM 0 HG3 LYS A 611 1.564 -18.658 14.860 1.00 33.40 H new ATOM 0 HD2 LYS A 611 2.381 -18.727 17.230 1.00 65.53 H new ATOM 0 HD3 LYS A 611 1.517 -17.236 17.549 1.00 65.53 H new ATOM 0 HE2 LYS A 611 -0.620 -18.331 16.844 1.00 73.30 H new ATOM 0 HE3 LYS A 611 0.249 -19.824 16.544 1.00 73.30 H new ATOM 0 HZ1 LYS A 611 -0.729 -20.006 18.644 1.00 40.44 H new ATOM 0 HZ2 LYS A 611 0.925 -19.750 18.933 1.00 40.44 H new ATOM 0 HZ3 LYS A 611 -0.180 -18.477 19.141 1.00 40.44 H new ATOM 471 N GLU A 612 2.080 -18.702 12.684 1.00 3.11 N ATOM 472 CA GLU A 612 1.990 -20.004 12.046 1.00 65.42 C ATOM 473 C GLU A 612 1.968 -19.852 10.546 1.00 22.33 C ATOM 474 O GLU A 612 2.635 -20.586 9.821 1.00 50.01 O ATOM 475 CB GLU A 612 0.718 -20.693 12.526 1.00 64.45 C ATOM 476 CG GLU A 612 0.466 -22.076 11.956 1.00 4.22 C ATOM 477 CD GLU A 612 -0.824 -22.651 12.468 1.00 51.11 C ATOM 478 OE1 GLU A 612 -0.814 -23.304 13.537 1.00 0.51 O ATOM 479 OE2 GLU A 612 -1.878 -22.430 11.837 1.00 32.32 O ATOM 0 H GLU A 612 1.187 -18.362 13.040 1.00 3.11 H new ATOM 0 HA GLU A 612 2.859 -20.606 12.312 1.00 65.42 H new ATOM 0 HB2 GLU A 612 0.755 -20.769 13.613 1.00 64.45 H new ATOM 0 HB3 GLU A 612 -0.133 -20.058 12.280 1.00 64.45 H new ATOM 0 HG2 GLU A 612 0.436 -22.023 10.868 1.00 4.22 H new ATOM 0 HG3 GLU A 612 1.292 -22.737 12.221 1.00 4.22 H new ATOM 486 N ASN A 613 1.206 -18.889 10.081 1.00 33.21 N ATOM 487 CA ASN A 613 1.107 -18.627 8.657 1.00 73.44 C ATOM 488 C ASN A 613 2.386 -17.932 8.158 1.00 51.22 C ATOM 489 O ASN A 613 2.654 -17.877 6.969 1.00 62.12 O ATOM 490 CB ASN A 613 -0.189 -17.829 8.351 1.00 72.00 C ATOM 491 CG ASN A 613 -0.429 -17.548 6.870 1.00 2.50 C ATOM 492 OD1 ASN A 613 -0.113 -16.366 6.433 1.00 5.32 O flip ATOM 493 ND2 ASN A 613 -0.976 -18.375 6.156 1.00 71.30 N flip ATOM 0 H ASN A 613 0.643 -18.271 10.666 1.00 33.21 H new ATOM 0 HA ASN A 613 1.030 -19.565 8.108 1.00 73.44 H new ATOM 0 HB2 ASN A 613 -1.042 -18.382 8.745 1.00 72.00 H new ATOM 0 HB3 ASN A 613 -0.150 -16.880 8.886 1.00 72.00 H new ATOM 0 HD21 ASN A 613 -1.211 -19.295 6.529 1.00 71.30 H new ATOM 0 HD22 ASN A 613 -1.197 -18.146 5.187 1.00 71.30 H new ATOM 500 N HIS A 614 3.181 -17.401 9.126 1.00 54.02 N ATOM 501 CA HIS A 614 4.519 -16.769 8.876 1.00 15.03 C ATOM 502 C HIS A 614 4.474 -15.600 7.893 1.00 44.00 C ATOM 503 O HIS A 614 5.509 -15.118 7.445 1.00 23.34 O ATOM 504 CB HIS A 614 5.563 -17.806 8.397 1.00 34.11 C ATOM 505 CG HIS A 614 5.909 -18.867 9.401 1.00 14.32 C ATOM 506 ND1 HIS A 614 5.508 -20.168 9.282 1.00 41.13 N ATOM 507 CD2 HIS A 614 6.651 -18.811 10.527 1.00 21.32 C ATOM 508 CE1 HIS A 614 5.982 -20.868 10.285 1.00 23.43 C ATOM 509 NE2 HIS A 614 6.680 -20.073 11.060 1.00 21.23 N ATOM 0 H HIS A 614 2.915 -17.396 10.111 1.00 54.02 H new ATOM 0 HA HIS A 614 4.822 -16.368 9.843 1.00 15.03 H new ATOM 0 HB2 HIS A 614 5.186 -18.289 7.495 1.00 34.11 H new ATOM 0 HB3 HIS A 614 6.475 -17.279 8.119 1.00 34.11 H new ATOM 0 HD2 HIS A 614 7.133 -17.934 10.933 1.00 21.32 H new ATOM 0 HE1 HIS A 614 5.824 -21.924 10.446 1.00 23.43 H new ATOM 0 HE2 HIS A 614 7.163 -20.348 11.915 1.00 21.23 H new ATOM 518 N ALA A 615 3.307 -15.144 7.585 1.00 64.11 N ATOM 519 CA ALA A 615 3.143 -14.077 6.650 1.00 53.33 C ATOM 520 C ALA A 615 2.524 -12.908 7.331 1.00 14.22 C ATOM 521 O ALA A 615 1.934 -13.049 8.412 1.00 3.42 O ATOM 522 CB ALA A 615 2.281 -14.521 5.497 1.00 51.40 C ATOM 0 H ALA A 615 2.435 -15.501 7.975 1.00 64.11 H new ATOM 0 HA ALA A 615 4.120 -13.790 6.262 1.00 53.33 H new ATOM 0 HB1 ALA A 615 2.164 -13.698 4.792 1.00 51.40 H new ATOM 0 HB2 ALA A 615 2.753 -15.365 4.994 1.00 51.40 H new ATOM 0 HB3 ALA A 615 1.302 -14.821 5.869 1.00 51.40 H new ATOM 528 N ASP A 616 2.648 -11.771 6.737 1.00 62.21 N ATOM 529 CA ASP A 616 2.088 -10.581 7.283 1.00 42.45 C ATOM 530 C ASP A 616 0.657 -10.522 6.853 1.00 21.01 C ATOM 531 O ASP A 616 0.321 -10.926 5.738 1.00 40.52 O ATOM 532 CB ASP A 616 2.795 -9.334 6.737 1.00 23.21 C ATOM 533 CG ASP A 616 4.304 -9.410 6.782 1.00 42.42 C ATOM 534 OD1 ASP A 616 4.881 -10.098 5.925 1.00 54.24 O ATOM 535 OD2 ASP A 616 4.929 -8.788 7.658 1.00 14.34 O ATOM 0 H ASP A 616 3.143 -11.639 5.855 1.00 62.21 H new ATOM 0 HA ASP A 616 2.197 -10.599 8.367 1.00 42.45 H new ATOM 0 HB2 ASP A 616 2.481 -9.174 5.706 1.00 23.21 H new ATOM 0 HB3 ASP A 616 2.469 -8.465 7.308 1.00 23.21 H new ATOM 540 N LEU A 617 -0.189 -10.045 7.709 1.00 42.11 N ATOM 541 CA LEU A 617 -1.565 -9.855 7.351 1.00 74.31 C ATOM 542 C LEU A 617 -1.692 -8.494 6.713 1.00 33.44 C ATOM 543 O LEU A 617 -2.671 -8.191 6.032 1.00 72.31 O ATOM 544 CB LEU A 617 -2.491 -9.979 8.566 1.00 3.00 C ATOM 545 CG LEU A 617 -2.478 -11.330 9.291 1.00 10.23 C ATOM 546 CD1 LEU A 617 -3.501 -11.341 10.415 1.00 71.11 C ATOM 547 CD2 LEU A 617 -2.748 -12.468 8.315 1.00 23.21 C ATOM 0 H LEU A 617 0.046 -9.778 8.665 1.00 42.11 H new ATOM 0 HA LEU A 617 -1.871 -10.633 6.652 1.00 74.31 H new ATOM 0 HB2 LEU A 617 -2.222 -9.203 9.283 1.00 3.00 H new ATOM 0 HB3 LEU A 617 -3.511 -9.774 8.242 1.00 3.00 H new ATOM 0 HG LEU A 617 -1.488 -11.476 9.722 1.00 10.23 H new ATOM 0 HD11 LEU A 617 -3.478 -12.307 10.919 1.00 71.11 H new ATOM 0 HD12 LEU A 617 -3.264 -10.553 11.130 1.00 71.11 H new ATOM 0 HD13 LEU A 617 -4.496 -11.170 10.003 1.00 71.11 H new ATOM 0 HD21 LEU A 617 -2.734 -13.417 8.850 1.00 23.21 H new ATOM 0 HD22 LEU A 617 -3.725 -12.326 7.852 1.00 23.21 H new ATOM 0 HD23 LEU A 617 -1.978 -12.476 7.543 1.00 23.21 H new ATOM 559 N GLY A 618 -0.669 -7.695 6.918 1.00 12.33 N ATOM 560 CA GLY A 618 -0.620 -6.381 6.333 1.00 43.22 C ATOM 561 C GLY A 618 -0.671 -5.296 7.369 1.00 23.31 C ATOM 562 O GLY A 618 -0.523 -5.572 8.568 1.00 71.24 O ATOM 0 H GLY A 618 0.141 -7.937 7.488 1.00 12.33 H new ATOM 0 HA2 GLY A 618 0.294 -6.280 5.748 1.00 43.22 H new ATOM 0 HA3 GLY A 618 -1.455 -6.261 5.643 1.00 43.22 H new ATOM 566 N ILE A 619 -0.857 -4.073 6.918 1.00 51.12 N ATOM 567 CA ILE A 619 -0.965 -2.932 7.786 1.00 4.31 C ATOM 568 C ILE A 619 -2.437 -2.537 7.874 1.00 12.54 C ATOM 569 O ILE A 619 -3.089 -2.318 6.847 1.00 73.50 O ATOM 570 CB ILE A 619 -0.147 -1.723 7.234 1.00 62.35 C ATOM 571 CG1 ILE A 619 1.341 -2.083 7.016 1.00 55.11 C ATOM 572 CG2 ILE A 619 -0.267 -0.520 8.157 1.00 22.41 C ATOM 573 CD1 ILE A 619 2.111 -2.499 8.262 1.00 71.14 C ATOM 0 H ILE A 619 -0.938 -3.847 5.927 1.00 51.12 H new ATOM 0 HA ILE A 619 -0.567 -3.193 8.767 1.00 4.31 H new ATOM 0 HB ILE A 619 -0.572 -1.467 6.264 1.00 62.35 H new ATOM 0 HG12 ILE A 619 1.397 -2.894 6.290 1.00 55.11 H new ATOM 0 HG13 ILE A 619 1.842 -1.223 6.572 1.00 55.11 H new ATOM 0 HG21 ILE A 619 0.312 0.309 7.751 1.00 22.41 H new ATOM 0 HG22 ILE A 619 -1.314 -0.227 8.238 1.00 22.41 H new ATOM 0 HG23 ILE A 619 0.115 -0.779 9.144 1.00 22.41 H new ATOM 0 HD11 ILE A 619 3.142 -2.729 7.993 1.00 71.14 H new ATOM 0 HD12 ILE A 619 2.098 -1.685 8.987 1.00 71.14 H new ATOM 0 HD13 ILE A 619 1.645 -3.382 8.700 1.00 71.14 H new ATOM 585 N PHE A 620 -2.938 -2.440 9.073 1.00 52.21 N ATOM 586 CA PHE A 620 -4.317 -2.115 9.317 1.00 33.43 C ATOM 587 C PHE A 620 -4.414 -0.844 10.126 1.00 24.34 C ATOM 588 O PHE A 620 -3.527 -0.536 10.932 1.00 52.14 O ATOM 589 CB PHE A 620 -5.007 -3.229 10.116 1.00 32.42 C ATOM 590 CG PHE A 620 -5.049 -4.576 9.458 1.00 14.03 C ATOM 591 CD1 PHE A 620 -3.993 -5.469 9.599 1.00 4.03 C ATOM 592 CD2 PHE A 620 -6.160 -4.965 8.719 1.00 70.41 C ATOM 593 CE1 PHE A 620 -4.048 -6.718 9.018 1.00 11.31 C ATOM 594 CE2 PHE A 620 -6.214 -6.214 8.133 1.00 44.53 C ATOM 595 CZ PHE A 620 -5.159 -7.091 8.283 1.00 32.33 C ATOM 0 H PHE A 620 -2.392 -2.587 9.922 1.00 52.21 H new ATOM 0 HA PHE A 620 -4.803 -1.995 8.349 1.00 33.43 H new ATOM 0 HB2 PHE A 620 -4.499 -3.330 11.075 1.00 32.42 H new ATOM 0 HB3 PHE A 620 -6.030 -2.918 10.328 1.00 32.42 H new ATOM 0 HD1 PHE A 620 -3.122 -5.182 10.169 1.00 4.03 H new ATOM 0 HD2 PHE A 620 -6.989 -4.283 8.602 1.00 70.41 H new ATOM 0 HE1 PHE A 620 -3.224 -7.405 9.137 1.00 11.31 H new ATOM 0 HE2 PHE A 620 -7.081 -6.504 7.558 1.00 44.53 H new ATOM 0 HZ PHE A 620 -5.201 -8.069 7.826 1.00 32.33 H new ATOM 605 N VAL A 621 -5.457 -0.100 9.903 1.00 1.12 N ATOM 606 CA VAL A 621 -5.744 1.063 10.707 1.00 22.40 C ATOM 607 C VAL A 621 -6.135 0.632 12.110 1.00 54.34 C ATOM 608 O VAL A 621 -6.956 -0.246 12.290 1.00 43.31 O ATOM 609 CB VAL A 621 -6.875 1.919 10.107 1.00 23.42 C ATOM 610 CG1 VAL A 621 -7.162 3.123 10.985 1.00 63.43 C ATOM 611 CG2 VAL A 621 -6.532 2.363 8.700 1.00 63.35 C ATOM 0 H VAL A 621 -6.135 -0.277 9.162 1.00 1.12 H new ATOM 0 HA VAL A 621 -4.840 1.672 10.733 1.00 22.40 H new ATOM 0 HB VAL A 621 -7.772 1.302 10.061 1.00 23.42 H new ATOM 0 HG11 VAL A 621 -7.964 3.713 10.542 1.00 63.43 H new ATOM 0 HG12 VAL A 621 -7.464 2.786 11.977 1.00 63.43 H new ATOM 0 HG13 VAL A 621 -6.264 3.735 11.068 1.00 63.43 H new ATOM 0 HG21 VAL A 621 -7.347 2.966 8.300 1.00 63.35 H new ATOM 0 HG22 VAL A 621 -5.618 2.956 8.718 1.00 63.35 H new ATOM 0 HG23 VAL A 621 -6.384 1.487 8.068 1.00 63.35 H new ATOM 621 N LYS A 622 -5.533 1.234 13.076 1.00 11.45 N ATOM 622 CA LYS A 622 -5.824 0.944 14.465 1.00 2.32 C ATOM 623 C LYS A 622 -6.633 2.058 15.100 1.00 75.33 C ATOM 624 O LYS A 622 -7.498 1.817 15.931 1.00 35.11 O ATOM 625 CB LYS A 622 -4.524 0.747 15.241 1.00 4.13 C ATOM 626 CG LYS A 622 -3.478 1.770 14.859 1.00 73.52 C ATOM 627 CD LYS A 622 -2.311 1.840 15.787 1.00 63.42 C ATOM 628 CE LYS A 622 -2.764 2.438 17.139 1.00 21.32 C ATOM 629 NZ LYS A 622 -1.676 2.637 18.101 1.00 31.25 N ATOM 0 H LYS A 622 -4.818 1.948 12.939 1.00 11.45 H new ATOM 0 HA LYS A 622 -6.414 0.028 14.501 1.00 2.32 H new ATOM 0 HB2 LYS A 622 -4.725 0.816 16.310 1.00 4.13 H new ATOM 0 HB3 LYS A 622 -4.138 -0.255 15.053 1.00 4.13 H new ATOM 0 HG2 LYS A 622 -3.115 1.543 13.856 1.00 73.52 H new ATOM 0 HG3 LYS A 622 -3.949 2.752 14.813 1.00 73.52 H new ATOM 0 HD2 LYS A 622 -1.893 0.845 15.939 1.00 63.42 H new ATOM 0 HD3 LYS A 622 -1.522 2.454 15.351 1.00 63.42 H new ATOM 0 HE2 LYS A 622 -3.252 3.395 16.955 1.00 21.32 H new ATOM 0 HE3 LYS A 622 -3.511 1.780 17.583 1.00 21.32 H new ATOM 0 HZ1 LYS A 622 -2.033 3.162 18.925 1.00 31.25 H new ATOM 0 HZ2 LYS A 622 -1.313 1.713 18.410 1.00 31.25 H new ATOM 0 HZ3 LYS A 622 -0.909 3.177 17.651 1.00 31.25 H new ATOM 643 N SER A 623 -6.321 3.279 14.737 1.00 65.51 N ATOM 644 CA SER A 623 -6.976 4.436 15.303 1.00 54.31 C ATOM 645 C SER A 623 -7.007 5.561 14.288 1.00 51.45 C ATOM 646 O SER A 623 -6.040 5.748 13.540 1.00 24.11 O ATOM 647 CB SER A 623 -6.232 4.884 16.565 1.00 13.23 C ATOM 648 OG SER A 623 -6.151 3.817 17.497 1.00 12.55 O ATOM 0 H SER A 623 -5.607 3.499 14.042 1.00 65.51 H new ATOM 0 HA SER A 623 -8.001 4.175 15.568 1.00 54.31 H new ATOM 0 HB2 SER A 623 -5.230 5.223 16.303 1.00 13.23 H new ATOM 0 HB3 SER A 623 -6.747 5.732 17.017 1.00 13.23 H new ATOM 0 HG SER A 623 -5.672 4.117 18.297 1.00 12.55 H new ATOM 654 N ILE A 624 -8.098 6.278 14.232 1.00 0.41 N ATOM 655 CA ILE A 624 -8.206 7.404 13.352 1.00 73.45 C ATOM 656 C ILE A 624 -8.075 8.667 14.164 1.00 72.21 C ATOM 657 O ILE A 624 -8.750 8.839 15.182 1.00 23.24 O ATOM 658 CB ILE A 624 -9.542 7.432 12.530 1.00 53.22 C ATOM 659 CG1 ILE A 624 -9.667 6.216 11.600 1.00 73.30 C ATOM 660 CG2 ILE A 624 -9.634 8.707 11.697 1.00 14.43 C ATOM 661 CD1 ILE A 624 -9.821 4.875 12.270 1.00 71.40 C ATOM 0 H ILE A 624 -8.931 6.097 14.793 1.00 0.41 H new ATOM 0 HA ILE A 624 -7.403 7.322 12.619 1.00 73.45 H new ATOM 0 HB ILE A 624 -10.358 7.402 13.252 1.00 53.22 H new ATOM 0 HG12 ILE A 624 -10.525 6.372 10.946 1.00 73.30 H new ATOM 0 HG13 ILE A 624 -8.783 6.180 10.963 1.00 73.30 H new ATOM 0 HG21 ILE A 624 -10.568 8.707 11.134 1.00 14.43 H new ATOM 0 HG22 ILE A 624 -9.607 9.575 12.356 1.00 14.43 H new ATOM 0 HG23 ILE A 624 -8.793 8.751 11.005 1.00 14.43 H new ATOM 0 HD11 ILE A 624 -9.900 4.096 11.511 1.00 71.40 H new ATOM 0 HD12 ILE A 624 -8.953 4.681 12.900 1.00 71.40 H new ATOM 0 HD13 ILE A 624 -10.722 4.876 12.883 1.00 71.40 H new ATOM 673 N ILE A 625 -7.217 9.527 13.733 1.00 63.11 N ATOM 674 CA ILE A 625 -6.961 10.759 14.437 1.00 24.25 C ATOM 675 C ILE A 625 -7.901 11.844 13.929 1.00 23.22 C ATOM 676 O ILE A 625 -7.912 12.159 12.738 1.00 24.34 O ATOM 677 CB ILE A 625 -5.469 11.225 14.260 1.00 34.20 C ATOM 678 CG1 ILE A 625 -4.501 10.165 14.822 1.00 1.00 C ATOM 679 CG2 ILE A 625 -5.233 12.571 14.930 1.00 21.12 C ATOM 680 CD1 ILE A 625 -3.028 10.506 14.634 1.00 33.41 C ATOM 0 H ILE A 625 -6.667 9.406 12.883 1.00 63.11 H new ATOM 0 HA ILE A 625 -7.136 10.584 15.499 1.00 24.25 H new ATOM 0 HB ILE A 625 -5.277 11.341 13.193 1.00 34.20 H new ATOM 0 HG12 ILE A 625 -4.700 10.035 15.886 1.00 1.00 H new ATOM 0 HG13 ILE A 625 -4.706 9.209 14.340 1.00 1.00 H new ATOM 0 HG21 ILE A 625 -4.194 12.869 14.792 1.00 21.12 H new ATOM 0 HG22 ILE A 625 -5.887 13.320 14.483 1.00 21.12 H new ATOM 0 HG23 ILE A 625 -5.449 12.490 15.995 1.00 21.12 H new ATOM 0 HD11 ILE A 625 -2.414 9.711 15.056 1.00 33.41 H new ATOM 0 HD12 ILE A 625 -2.811 10.607 13.571 1.00 33.41 H new ATOM 0 HD13 ILE A 625 -2.804 11.445 15.141 1.00 33.41 H new ATOM 692 N ASN A 626 -8.721 12.390 14.810 1.00 42.45 N ATOM 693 CA ASN A 626 -9.574 13.496 14.421 1.00 62.32 C ATOM 694 C ASN A 626 -8.736 14.760 14.418 1.00 34.02 C ATOM 695 O ASN A 626 -8.542 15.407 15.448 1.00 21.13 O ATOM 696 CB ASN A 626 -10.810 13.647 15.332 1.00 73.12 C ATOM 697 CG ASN A 626 -11.730 14.797 14.904 1.00 62.51 C ATOM 698 OD1 ASN A 626 -11.562 15.940 15.336 1.00 65.45 O ATOM 699 ND2 ASN A 626 -12.710 14.504 14.080 1.00 62.24 N ATOM 0 H ASN A 626 -8.813 12.092 15.781 1.00 42.45 H new ATOM 0 HA ASN A 626 -9.969 13.300 13.424 1.00 62.32 H new ATOM 0 HB2 ASN A 626 -11.375 12.715 15.326 1.00 73.12 H new ATOM 0 HB3 ASN A 626 -10.481 13.814 16.358 1.00 73.12 H new ATOM 0 HD21 ASN A 626 -13.359 15.232 13.780 1.00 62.24 H new ATOM 0 HD22 ASN A 626 -12.822 13.549 13.740 1.00 62.24 H new ATOM 706 N GLY A 627 -8.174 15.031 13.288 1.00 64.31 N ATOM 707 CA GLY A 627 -7.312 16.160 13.110 1.00 35.31 C ATOM 708 C GLY A 627 -6.466 15.960 11.883 1.00 61.44 C ATOM 709 O GLY A 627 -5.309 16.391 11.825 1.00 12.33 O ATOM 0 H GLY A 627 -8.300 14.468 12.447 1.00 64.31 H new ATOM 0 HA2 GLY A 627 -7.904 17.070 13.012 1.00 35.31 H new ATOM 0 HA3 GLY A 627 -6.676 16.286 13.986 1.00 35.31 H new ATOM 713 N GLY A 628 -7.048 15.296 10.903 1.00 23.34 N ATOM 714 CA GLY A 628 -6.366 14.999 9.688 1.00 33.43 C ATOM 715 C GLY A 628 -7.336 14.959 8.544 1.00 53.50 C ATOM 716 O GLY A 628 -8.513 14.620 8.731 1.00 1.42 O ATOM 0 H GLY A 628 -8.008 14.953 10.941 1.00 23.34 H new ATOM 0 HA2 GLY A 628 -5.601 15.752 9.499 1.00 33.43 H new ATOM 0 HA3 GLY A 628 -5.855 14.040 9.775 1.00 33.43 H new ATOM 720 N ALA A 629 -6.867 15.289 7.363 1.00 30.14 N ATOM 721 CA ALA A 629 -7.730 15.366 6.192 1.00 65.12 C ATOM 722 C ALA A 629 -8.300 14.011 5.809 1.00 33.51 C ATOM 723 O ALA A 629 -9.407 13.926 5.293 1.00 71.12 O ATOM 724 CB ALA A 629 -7.016 16.030 5.026 1.00 70.12 C ATOM 0 H ALA A 629 -5.888 15.511 7.181 1.00 30.14 H new ATOM 0 HA ALA A 629 -8.580 15.994 6.458 1.00 65.12 H new ATOM 0 HB1 ALA A 629 -7.685 16.073 4.167 1.00 70.12 H new ATOM 0 HB2 ALA A 629 -6.722 17.041 5.308 1.00 70.12 H new ATOM 0 HB3 ALA A 629 -6.129 15.453 4.766 1.00 70.12 H new ATOM 730 N ALA A 630 -7.563 12.951 6.092 1.00 32.12 N ATOM 731 CA ALA A 630 -8.035 11.606 5.786 1.00 11.31 C ATOM 732 C ALA A 630 -9.172 11.242 6.681 1.00 20.33 C ATOM 733 O ALA A 630 -10.036 10.453 6.321 1.00 24.30 O ATOM 734 CB ALA A 630 -6.926 10.589 5.930 1.00 11.43 C ATOM 0 H ALA A 630 -6.642 12.991 6.530 1.00 32.12 H new ATOM 0 HA ALA A 630 -8.373 11.599 4.750 1.00 11.31 H new ATOM 0 HB1 ALA A 630 -7.310 9.596 5.695 1.00 11.43 H new ATOM 0 HB2 ALA A 630 -6.115 10.836 5.245 1.00 11.43 H new ATOM 0 HB3 ALA A 630 -6.552 10.601 6.954 1.00 11.43 H new ATOM 740 N SER A 631 -9.187 11.838 7.828 1.00 64.34 N ATOM 741 CA SER A 631 -10.212 11.565 8.780 1.00 62.53 C ATOM 742 C SER A 631 -11.509 12.234 8.343 1.00 4.43 C ATOM 743 O SER A 631 -12.537 11.578 8.222 1.00 74.22 O ATOM 744 CB SER A 631 -9.796 12.032 10.174 1.00 1.10 C ATOM 745 OG SER A 631 -10.770 11.684 11.144 1.00 23.32 O ATOM 0 H SER A 631 -8.494 12.523 8.130 1.00 64.34 H new ATOM 0 HA SER A 631 -10.373 10.488 8.829 1.00 62.53 H new ATOM 0 HB2 SER A 631 -8.838 11.584 10.440 1.00 1.10 H new ATOM 0 HB3 SER A 631 -9.652 13.113 10.171 1.00 1.10 H new ATOM 0 HG SER A 631 -10.356 11.670 12.032 1.00 23.32 H new ATOM 751 N LYS A 632 -11.449 13.522 8.064 1.00 4.14 N ATOM 752 CA LYS A 632 -12.635 14.256 7.676 1.00 33.44 C ATOM 753 C LYS A 632 -13.097 13.949 6.243 1.00 33.22 C ATOM 754 O LYS A 632 -14.277 13.658 6.012 1.00 62.22 O ATOM 755 CB LYS A 632 -12.450 15.768 7.881 1.00 41.24 C ATOM 756 CG LYS A 632 -11.265 16.361 7.138 1.00 31.23 C ATOM 757 CD LYS A 632 -11.197 17.866 7.288 1.00 54.35 C ATOM 758 CE LYS A 632 -11.019 18.299 8.733 1.00 33.30 C ATOM 759 NZ LYS A 632 -10.860 19.761 8.847 1.00 11.15 N ATOM 0 H LYS A 632 -10.595 14.079 8.099 1.00 4.14 H new ATOM 0 HA LYS A 632 -13.430 13.911 8.337 1.00 33.44 H new ATOM 0 HB2 LYS A 632 -13.357 16.280 7.560 1.00 41.24 H new ATOM 0 HB3 LYS A 632 -12.332 15.966 8.946 1.00 41.24 H new ATOM 0 HG2 LYS A 632 -10.343 15.917 7.513 1.00 31.23 H new ATOM 0 HG3 LYS A 632 -11.335 16.105 6.081 1.00 31.23 H new ATOM 0 HD2 LYS A 632 -10.369 18.250 6.692 1.00 54.35 H new ATOM 0 HD3 LYS A 632 -12.109 18.309 6.889 1.00 54.35 H new ATOM 0 HE2 LYS A 632 -11.882 17.980 9.318 1.00 33.30 H new ATOM 0 HE3 LYS A 632 -10.146 17.803 9.157 1.00 33.30 H new ATOM 0 HZ1 LYS A 632 -9.870 19.986 9.072 1.00 11.15 H new ATOM 0 HZ2 LYS A 632 -11.121 20.210 7.946 1.00 11.15 H new ATOM 0 HZ3 LYS A 632 -11.477 20.119 9.604 1.00 11.15 H new ATOM 773 N ASP A 633 -12.183 14.018 5.291 1.00 12.15 N ATOM 774 CA ASP A 633 -12.544 13.853 3.893 1.00 63.54 C ATOM 775 C ASP A 633 -12.701 12.390 3.506 1.00 25.42 C ATOM 776 O ASP A 633 -13.654 12.014 2.809 1.00 11.33 O ATOM 777 CB ASP A 633 -11.545 14.558 2.977 1.00 4.20 C ATOM 778 CG ASP A 633 -12.011 14.607 1.542 1.00 43.44 C ATOM 779 OD1 ASP A 633 -12.719 15.578 1.176 1.00 71.14 O ATOM 780 OD2 ASP A 633 -11.680 13.707 0.764 1.00 45.34 O ATOM 0 H ASP A 633 -11.191 14.186 5.458 1.00 12.15 H new ATOM 0 HA ASP A 633 -13.518 14.324 3.761 1.00 63.54 H new ATOM 0 HB2 ASP A 633 -11.381 15.574 3.337 1.00 4.20 H new ATOM 0 HB3 ASP A 633 -10.586 14.043 3.027 1.00 4.20 H new ATOM 785 N GLY A 634 -11.780 11.561 3.976 1.00 73.25 N ATOM 786 CA GLY A 634 -11.758 10.173 3.556 1.00 55.45 C ATOM 787 C GLY A 634 -12.625 9.245 4.384 1.00 15.22 C ATOM 788 O GLY A 634 -13.349 8.438 3.817 1.00 31.11 O ATOM 0 H GLY A 634 -11.050 11.822 4.638 1.00 73.25 H new ATOM 0 HA2 GLY A 634 -12.080 10.117 2.516 1.00 55.45 H new ATOM 0 HA3 GLY A 634 -10.729 9.814 3.590 1.00 55.45 H new ATOM 792 N ARG A 635 -12.588 9.386 5.712 1.00 73.43 N ATOM 793 CA ARG A 635 -13.348 8.498 6.621 1.00 35.33 C ATOM 794 C ARG A 635 -12.902 7.035 6.503 1.00 50.15 C ATOM 795 O ARG A 635 -13.498 6.246 5.769 1.00 23.11 O ATOM 796 CB ARG A 635 -14.881 8.606 6.419 1.00 34.23 C ATOM 797 CG ARG A 635 -15.549 9.897 6.900 1.00 21.32 C ATOM 798 CD ARG A 635 -15.705 9.939 8.427 1.00 13.34 C ATOM 799 NE ARG A 635 -14.436 9.963 9.159 1.00 71.12 N ATOM 800 CZ ARG A 635 -14.167 9.230 10.250 1.00 74.23 C ATOM 801 NH1 ARG A 635 -15.028 8.309 10.664 1.00 13.30 N ATOM 802 NH2 ARG A 635 -13.025 9.412 10.918 1.00 3.43 N ATOM 0 H ARG A 635 -12.043 10.104 6.189 1.00 73.43 H new ATOM 0 HA ARG A 635 -13.121 8.847 7.628 1.00 35.33 H new ATOM 0 HB2 ARG A 635 -15.093 8.489 5.356 1.00 34.23 H new ATOM 0 HB3 ARG A 635 -15.352 7.768 6.932 1.00 34.23 H new ATOM 0 HG2 ARG A 635 -14.958 10.753 6.574 1.00 21.32 H new ATOM 0 HG3 ARG A 635 -16.530 9.991 6.434 1.00 21.32 H new ATOM 0 HD2 ARG A 635 -16.285 10.821 8.698 1.00 13.34 H new ATOM 0 HD3 ARG A 635 -16.280 9.070 8.747 1.00 13.34 H new ATOM 0 HE ARG A 635 -13.703 10.583 8.814 1.00 71.12 H new ATOM 0 HH11 ARG A 635 -15.897 8.157 10.152 1.00 13.30 H new ATOM 0 HH12 ARG A 635 -14.821 7.753 11.494 1.00 13.30 H new ATOM 0 HH21 ARG A 635 -12.353 10.110 10.599 1.00 3.43 H new ATOM 0 HH22 ARG A 635 -12.824 8.853 11.747 1.00 3.43 H new ATOM 816 N LEU A 636 -11.825 6.697 7.171 1.00 64.40 N ATOM 817 CA LEU A 636 -11.351 5.317 7.186 1.00 2.22 C ATOM 818 C LEU A 636 -11.822 4.632 8.437 1.00 44.12 C ATOM 819 O LEU A 636 -12.362 5.286 9.346 1.00 64.30 O ATOM 820 CB LEU A 636 -9.814 5.190 7.017 1.00 64.33 C ATOM 821 CG LEU A 636 -9.242 5.440 5.599 1.00 75.11 C ATOM 822 CD1 LEU A 636 -9.510 6.844 5.115 1.00 14.21 C ATOM 823 CD2 LEU A 636 -7.758 5.130 5.555 1.00 42.44 C ATOM 0 H LEU A 636 -11.257 7.349 7.712 1.00 64.40 H new ATOM 0 HA LEU A 636 -11.780 4.820 6.316 1.00 2.22 H new ATOM 0 HB2 LEU A 636 -9.338 5.891 7.703 1.00 64.33 H new ATOM 0 HB3 LEU A 636 -9.520 4.188 7.330 1.00 64.33 H new ATOM 0 HG LEU A 636 -9.760 4.762 4.920 1.00 75.11 H new ATOM 0 HD11 LEU A 636 -9.090 6.971 4.117 1.00 14.21 H new ATOM 0 HD12 LEU A 636 -10.585 7.018 5.081 1.00 14.21 H new ATOM 0 HD13 LEU A 636 -9.048 7.558 5.797 1.00 14.21 H new ATOM 0 HD21 LEU A 636 -7.378 5.313 4.550 1.00 42.44 H new ATOM 0 HD22 LEU A 636 -7.232 5.769 6.264 1.00 42.44 H new ATOM 0 HD23 LEU A 636 -7.597 4.085 5.820 1.00 42.44 H new ATOM 835 N ARG A 637 -11.620 3.347 8.515 1.00 51.43 N ATOM 836 CA ARG A 637 -12.144 2.593 9.646 1.00 12.15 C ATOM 837 C ARG A 637 -11.010 1.987 10.415 1.00 51.33 C ATOM 838 O ARG A 637 -9.884 1.996 9.972 1.00 40.42 O ATOM 839 CB ARG A 637 -13.072 1.408 9.233 1.00 10.03 C ATOM 840 CG ARG A 637 -14.023 1.626 8.068 1.00 44.21 C ATOM 841 CD ARG A 637 -13.244 1.566 6.774 1.00 75.31 C ATOM 842 NE ARG A 637 -14.048 1.771 5.578 1.00 52.11 N ATOM 843 CZ ARG A 637 -13.525 2.099 4.385 1.00 20.14 C ATOM 844 NH1 ARG A 637 -12.210 2.126 4.215 1.00 40.13 N ATOM 845 NH2 ARG A 637 -14.321 2.380 3.363 1.00 70.55 N ATOM 0 H ARG A 637 -11.106 2.796 7.827 1.00 51.43 H new ATOM 0 HA ARG A 637 -12.722 3.309 10.230 1.00 12.15 H new ATOM 0 HB2 ARG A 637 -12.438 0.554 8.993 1.00 10.03 H new ATOM 0 HB3 ARG A 637 -13.666 1.129 10.103 1.00 10.03 H new ATOM 0 HG2 ARG A 637 -14.803 0.865 8.072 1.00 44.21 H new ATOM 0 HG3 ARG A 637 -14.519 2.592 8.164 1.00 44.21 H new ATOM 0 HD2 ARG A 637 -12.458 2.320 6.802 1.00 75.31 H new ATOM 0 HD3 ARG A 637 -12.752 0.596 6.705 1.00 75.31 H new ATOM 0 HE ARG A 637 -15.059 1.660 5.649 1.00 52.11 H new ATOM 0 HH11 ARG A 637 -11.590 1.897 4.992 1.00 40.13 H new ATOM 0 HH12 ARG A 637 -11.818 2.376 3.307 1.00 40.13 H new ATOM 0 HH21 ARG A 637 -15.334 2.348 3.481 1.00 70.55 H new ATOM 0 HH22 ARG A 637 -13.921 2.629 2.458 1.00 70.55 H new ATOM 859 N VAL A 638 -11.320 1.467 11.551 1.00 45.23 N ATOM 860 CA VAL A 638 -10.377 0.685 12.325 1.00 2.13 C ATOM 861 C VAL A 638 -10.408 -0.745 11.762 1.00 4.33 C ATOM 862 O VAL A 638 -11.476 -1.204 11.320 1.00 4.13 O ATOM 863 CB VAL A 638 -10.756 0.670 13.837 1.00 40.34 C ATOM 864 CG1 VAL A 638 -9.799 -0.194 14.654 1.00 22.33 C ATOM 865 CG2 VAL A 638 -10.806 2.080 14.400 1.00 75.14 C ATOM 0 H VAL A 638 -12.238 1.564 11.986 1.00 45.23 H new ATOM 0 HA VAL A 638 -9.381 1.121 12.249 1.00 2.13 H new ATOM 0 HB VAL A 638 -11.750 0.229 13.913 1.00 40.34 H new ATOM 0 HG11 VAL A 638 -10.098 -0.177 15.702 1.00 22.33 H new ATOM 0 HG12 VAL A 638 -9.829 -1.219 14.284 1.00 22.33 H new ATOM 0 HG13 VAL A 638 -8.786 0.197 14.560 1.00 22.33 H new ATOM 0 HG21 VAL A 638 -11.073 2.041 15.456 1.00 75.14 H new ATOM 0 HG22 VAL A 638 -9.829 2.551 14.290 1.00 75.14 H new ATOM 0 HG23 VAL A 638 -11.552 2.662 13.859 1.00 75.14 H new ATOM 875 N ASN A 639 -9.245 -1.415 11.738 1.00 14.40 N ATOM 876 CA ASN A 639 -9.085 -2.795 11.197 1.00 71.42 C ATOM 877 C ASN A 639 -9.205 -2.750 9.659 1.00 4.05 C ATOM 878 O ASN A 639 -9.414 -3.759 8.979 1.00 71.30 O ATOM 879 CB ASN A 639 -10.123 -3.763 11.835 1.00 75.42 C ATOM 880 CG ASN A 639 -9.943 -5.222 11.448 1.00 25.00 C ATOM 881 OD1 ASN A 639 -8.832 -5.692 11.197 1.00 20.22 O ATOM 882 ND2 ASN A 639 -11.031 -5.950 11.408 1.00 30.55 N ATOM 0 H ASN A 639 -8.375 -1.020 12.094 1.00 14.40 H new ATOM 0 HA ASN A 639 -8.099 -3.180 11.456 1.00 71.42 H new ATOM 0 HB2 ASN A 639 -10.062 -3.678 12.920 1.00 75.42 H new ATOM 0 HB3 ASN A 639 -11.124 -3.444 11.546 1.00 75.42 H new ATOM 0 HD21 ASN A 639 -10.974 -6.939 11.163 1.00 30.55 H new ATOM 0 HD22 ASN A 639 -11.935 -5.528 11.622 1.00 30.55 H new ATOM 889 N ASP A 640 -9.023 -1.559 9.138 1.00 44.54 N ATOM 890 CA ASP A 640 -9.093 -1.291 7.714 1.00 44.11 C ATOM 891 C ASP A 640 -7.722 -1.610 7.127 1.00 15.50 C ATOM 892 O ASP A 640 -6.703 -1.153 7.651 1.00 70.21 O ATOM 893 CB ASP A 640 -9.427 0.187 7.523 1.00 21.44 C ATOM 894 CG ASP A 640 -9.815 0.587 6.120 1.00 22.34 C ATOM 895 OD1 ASP A 640 -9.674 -0.208 5.195 1.00 5.24 O ATOM 896 OD2 ASP A 640 -10.309 1.735 5.959 1.00 3.33 O ATOM 0 H ASP A 640 -8.818 -0.732 9.699 1.00 44.54 H new ATOM 0 HA ASP A 640 -9.856 -1.892 7.220 1.00 44.11 H new ATOM 0 HB2 ASP A 640 -10.244 0.447 8.196 1.00 21.44 H new ATOM 0 HB3 ASP A 640 -8.564 0.779 7.826 1.00 21.44 H new ATOM 901 N GLN A 641 -7.698 -2.390 6.081 1.00 22.22 N ATOM 902 CA GLN A 641 -6.455 -2.869 5.495 1.00 51.11 C ATOM 903 C GLN A 641 -5.918 -1.922 4.433 1.00 64.51 C ATOM 904 O GLN A 641 -6.585 -1.637 3.445 1.00 54.33 O ATOM 905 CB GLN A 641 -6.651 -4.284 4.915 1.00 40.50 C ATOM 906 CG GLN A 641 -5.476 -4.812 4.088 1.00 10.34 C ATOM 907 CD GLN A 641 -4.157 -4.879 4.837 1.00 64.05 C ATOM 908 OE1 GLN A 641 -3.085 -4.665 4.128 1.00 11.33 O flip ATOM 909 NE2 GLN A 641 -4.110 -5.091 6.027 1.00 72.02 N flip ATOM 0 H GLN A 641 -8.537 -2.718 5.602 1.00 22.22 H new ATOM 0 HA GLN A 641 -5.711 -2.909 6.291 1.00 51.11 H new ATOM 0 HB2 GLN A 641 -6.837 -4.975 5.737 1.00 40.50 H new ATOM 0 HB3 GLN A 641 -7.544 -4.284 4.291 1.00 40.50 H new ATOM 0 HG2 GLN A 641 -5.724 -5.809 3.724 1.00 10.34 H new ATOM 0 HG3 GLN A 641 -5.350 -4.176 3.212 1.00 10.34 H new ATOM 0 HE21 GLN A 641 -4.970 -5.254 6.550 1.00 72.02 H new ATOM 0 HE22 GLN A 641 -3.210 -5.106 6.507 1.00 72.02 H new ATOM 918 N LEU A 642 -4.701 -1.468 4.637 1.00 52.13 N ATOM 919 CA LEU A 642 -4.035 -0.588 3.701 1.00 40.51 C ATOM 920 C LEU A 642 -3.420 -1.397 2.562 1.00 72.11 C ATOM 921 O LEU A 642 -2.503 -2.198 2.762 1.00 3.31 O ATOM 922 CB LEU A 642 -2.986 0.321 4.401 1.00 22.20 C ATOM 923 CG LEU A 642 -3.495 1.431 5.339 1.00 31.35 C ATOM 924 CD1 LEU A 642 -4.224 0.861 6.531 1.00 43.32 C ATOM 925 CD2 LEU A 642 -2.337 2.295 5.797 1.00 33.22 C ATOM 0 H LEU A 642 -4.143 -1.699 5.459 1.00 52.13 H new ATOM 0 HA LEU A 642 -4.783 0.082 3.276 1.00 40.51 H new ATOM 0 HB2 LEU A 642 -2.320 -0.322 4.977 1.00 22.20 H new ATOM 0 HB3 LEU A 642 -2.383 0.792 3.625 1.00 22.20 H new ATOM 0 HG LEU A 642 -4.203 2.043 4.780 1.00 31.35 H new ATOM 0 HD11 LEU A 642 -4.568 1.674 7.170 1.00 43.32 H new ATOM 0 HD12 LEU A 642 -5.081 0.280 6.190 1.00 43.32 H new ATOM 0 HD13 LEU A 642 -3.550 0.216 7.096 1.00 43.32 H new ATOM 0 HD21 LEU A 642 -2.707 3.077 6.460 1.00 33.22 H new ATOM 0 HD22 LEU A 642 -1.613 1.680 6.330 1.00 33.22 H new ATOM 0 HD23 LEU A 642 -1.858 2.750 4.930 1.00 33.22 H new ATOM 937 N ILE A 643 -3.943 -1.192 1.378 1.00 63.10 N ATOM 938 CA ILE A 643 -3.562 -1.954 0.201 1.00 45.12 C ATOM 939 C ILE A 643 -2.471 -1.241 -0.583 1.00 43.53 C ATOM 940 O ILE A 643 -1.402 -1.810 -0.871 1.00 1.11 O ATOM 941 CB ILE A 643 -4.782 -2.116 -0.737 1.00 73.22 C ATOM 942 CG1 ILE A 643 -5.977 -2.743 -0.001 1.00 23.24 C ATOM 943 CG2 ILE A 643 -4.419 -2.923 -1.976 1.00 52.23 C ATOM 944 CD1 ILE A 643 -5.730 -4.134 0.536 1.00 74.23 C ATOM 0 H ILE A 643 -4.654 -0.484 1.196 1.00 63.10 H new ATOM 0 HA ILE A 643 -3.198 -2.924 0.541 1.00 45.12 H new ATOM 0 HB ILE A 643 -5.080 -1.119 -1.061 1.00 73.22 H new ATOM 0 HG12 ILE A 643 -6.257 -2.093 0.828 1.00 23.24 H new ATOM 0 HG13 ILE A 643 -6.828 -2.777 -0.681 1.00 23.24 H new ATOM 0 HG21 ILE A 643 -5.296 -3.021 -2.616 1.00 52.23 H new ATOM 0 HG22 ILE A 643 -3.625 -2.414 -2.522 1.00 52.23 H new ATOM 0 HG23 ILE A 643 -4.076 -3.914 -1.677 1.00 52.23 H new ATOM 0 HD11 ILE A 643 -6.627 -4.495 1.039 1.00 74.23 H new ATOM 0 HD12 ILE A 643 -5.482 -4.803 -0.288 1.00 74.23 H new ATOM 0 HD13 ILE A 643 -4.902 -4.109 1.245 1.00 74.23 H new ATOM 956 N ALA A 644 -2.751 -0.008 -0.941 1.00 3.04 N ATOM 957 CA ALA A 644 -1.844 0.780 -1.748 1.00 33.24 C ATOM 958 C ALA A 644 -1.817 2.211 -1.269 1.00 32.22 C ATOM 959 O ALA A 644 -2.834 2.739 -0.817 1.00 22.33 O ATOM 960 CB ALA A 644 -2.249 0.711 -3.217 1.00 11.43 C ATOM 0 H ALA A 644 -3.611 0.476 -0.683 1.00 3.04 H new ATOM 0 HA ALA A 644 -0.840 0.368 -1.647 1.00 33.24 H new ATOM 0 HB1 ALA A 644 -1.559 1.308 -3.813 1.00 11.43 H new ATOM 0 HB2 ALA A 644 -2.218 -0.325 -3.555 1.00 11.43 H new ATOM 0 HB3 ALA A 644 -3.260 1.101 -3.334 1.00 11.43 H new ATOM 966 N VAL A 645 -0.668 2.835 -1.371 1.00 10.41 N ATOM 967 CA VAL A 645 -0.486 4.185 -0.915 1.00 13.02 C ATOM 968 C VAL A 645 0.172 5.036 -2.025 1.00 32.41 C ATOM 969 O VAL A 645 1.150 4.619 -2.655 1.00 12.41 O ATOM 970 CB VAL A 645 0.349 4.220 0.401 1.00 50.53 C ATOM 971 CG1 VAL A 645 1.781 3.723 0.196 1.00 33.11 C ATOM 972 CG2 VAL A 645 0.309 5.590 1.049 1.00 54.14 C ATOM 0 H VAL A 645 0.169 2.415 -1.775 1.00 10.41 H new ATOM 0 HA VAL A 645 -1.463 4.614 -0.691 1.00 13.02 H new ATOM 0 HB VAL A 645 -0.121 3.521 1.093 1.00 50.53 H new ATOM 0 HG11 VAL A 645 2.320 3.767 1.142 1.00 33.11 H new ATOM 0 HG12 VAL A 645 1.761 2.694 -0.163 1.00 33.11 H new ATOM 0 HG13 VAL A 645 2.283 4.353 -0.538 1.00 33.11 H new ATOM 0 HG21 VAL A 645 0.902 5.577 1.964 1.00 54.14 H new ATOM 0 HG22 VAL A 645 0.719 6.330 0.361 1.00 54.14 H new ATOM 0 HG23 VAL A 645 -0.722 5.849 1.289 1.00 54.14 H new ATOM 982 N ASN A 646 -0.420 6.194 -2.289 1.00 53.31 N ATOM 983 CA ASN A 646 0.021 7.153 -3.333 1.00 53.34 C ATOM 984 C ASN A 646 0.063 6.508 -4.719 1.00 31.10 C ATOM 985 O ASN A 646 0.741 6.989 -5.626 1.00 51.21 O ATOM 986 CB ASN A 646 1.374 7.788 -2.986 1.00 3.22 C ATOM 987 CG ASN A 646 1.341 8.617 -1.716 1.00 2.01 C ATOM 988 OD1 ASN A 646 1.580 8.114 -0.636 1.00 52.31 O ATOM 989 ND2 ASN A 646 1.037 9.883 -1.828 1.00 1.11 N ATOM 0 H ASN A 646 -1.243 6.514 -1.778 1.00 53.31 H new ATOM 0 HA ASN A 646 -0.724 7.948 -3.361 1.00 53.34 H new ATOM 0 HB2 ASN A 646 2.120 7.000 -2.878 1.00 3.22 H new ATOM 0 HB3 ASN A 646 1.694 8.419 -3.815 1.00 3.22 H new ATOM 0 HD21 ASN A 646 0.996 10.473 -0.997 1.00 1.11 H new ATOM 0 HD22 ASN A 646 0.841 10.281 -2.746 1.00 1.11 H new ATOM 996 N GLY A 647 -0.713 5.450 -4.885 1.00 32.24 N ATOM 997 CA GLY A 647 -0.748 4.744 -6.150 1.00 2.33 C ATOM 998 C GLY A 647 0.241 3.584 -6.223 1.00 60.12 C ATOM 999 O GLY A 647 0.407 2.960 -7.279 1.00 42.30 O ATOM 0 H GLY A 647 -1.323 5.065 -4.164 1.00 32.24 H new ATOM 0 HA2 GLY A 647 -1.756 4.364 -6.318 1.00 2.33 H new ATOM 0 HA3 GLY A 647 -0.534 5.446 -6.956 1.00 2.33 H new ATOM 1003 N GLU A 648 0.897 3.286 -5.125 1.00 72.24 N ATOM 1004 CA GLU A 648 1.833 2.197 -5.083 1.00 45.34 C ATOM 1005 C GLU A 648 1.362 1.159 -4.082 1.00 70.45 C ATOM 1006 O GLU A 648 1.075 1.486 -2.933 1.00 31.40 O ATOM 1007 CB GLU A 648 3.218 2.720 -4.729 1.00 61.04 C ATOM 1008 CG GLU A 648 4.293 1.668 -4.703 1.00 11.33 C ATOM 1009 CD GLU A 648 5.660 2.252 -4.466 1.00 34.44 C ATOM 1010 OE1 GLU A 648 6.282 2.744 -5.429 1.00 34.04 O ATOM 1011 OE2 GLU A 648 6.137 2.236 -3.317 1.00 34.55 O ATOM 0 H GLU A 648 0.795 3.790 -4.244 1.00 72.24 H new ATOM 0 HA GLU A 648 1.892 1.723 -6.063 1.00 45.34 H new ATOM 0 HB2 GLU A 648 3.497 3.489 -5.449 1.00 61.04 H new ATOM 0 HB3 GLU A 648 3.173 3.200 -3.751 1.00 61.04 H new ATOM 0 HG2 GLU A 648 4.070 0.943 -3.920 1.00 11.33 H new ATOM 0 HG3 GLU A 648 4.291 1.126 -5.649 1.00 11.33 H new ATOM 1018 N SER A 649 1.266 -0.069 -4.515 1.00 71.03 N ATOM 1019 CA SER A 649 0.779 -1.135 -3.676 1.00 20.22 C ATOM 1020 C SER A 649 1.855 -1.614 -2.705 1.00 52.12 C ATOM 1021 O SER A 649 3.056 -1.582 -3.021 1.00 32.31 O ATOM 1022 CB SER A 649 0.284 -2.290 -4.541 1.00 22.13 C ATOM 1023 OG SER A 649 -0.745 -1.853 -5.421 1.00 25.44 O ATOM 0 H SER A 649 1.522 -0.361 -5.458 1.00 71.03 H new ATOM 0 HA SER A 649 -0.051 -0.752 -3.083 1.00 20.22 H new ATOM 0 HB2 SER A 649 1.113 -2.700 -5.118 1.00 22.13 H new ATOM 0 HB3 SER A 649 -0.090 -3.093 -3.906 1.00 22.13 H new ATOM 0 HG SER A 649 -1.049 -2.607 -5.969 1.00 25.44 H new ATOM 1029 N LEU A 650 1.434 -2.018 -1.522 1.00 72.14 N ATOM 1030 CA LEU A 650 2.346 -2.551 -0.525 1.00 60.43 C ATOM 1031 C LEU A 650 1.694 -3.722 0.200 1.00 15.24 C ATOM 1032 O LEU A 650 2.151 -4.164 1.249 1.00 75.31 O ATOM 1033 CB LEU A 650 2.805 -1.476 0.488 1.00 11.20 C ATOM 1034 CG LEU A 650 1.761 -0.866 1.449 1.00 10.11 C ATOM 1035 CD1 LEU A 650 2.462 0.004 2.444 1.00 64.53 C ATOM 1036 CD2 LEU A 650 0.732 -0.032 0.717 1.00 34.21 C ATOM 0 H LEU A 650 0.459 -1.987 -1.225 1.00 72.14 H new ATOM 0 HA LEU A 650 3.238 -2.896 -1.047 1.00 60.43 H new ATOM 0 HB2 LEU A 650 3.598 -1.912 1.096 1.00 11.20 H new ATOM 0 HB3 LEU A 650 3.251 -0.658 -0.078 1.00 11.20 H new ATOM 0 HG LEU A 650 1.243 -1.689 1.941 1.00 10.11 H new ATOM 0 HD11 LEU A 650 1.731 0.438 3.126 1.00 64.53 H new ATOM 0 HD12 LEU A 650 3.177 -0.594 3.010 1.00 64.53 H new ATOM 0 HD13 LEU A 650 2.990 0.802 1.922 1.00 64.53 H new ATOM 0 HD21 LEU A 650 0.019 0.377 1.433 1.00 34.21 H new ATOM 0 HD22 LEU A 650 1.230 0.785 0.195 1.00 34.21 H new ATOM 0 HD23 LEU A 650 0.205 -0.656 -0.005 1.00 34.21 H new ATOM 1048 N LEU A 651 0.655 -4.251 -0.413 1.00 25.34 N ATOM 1049 CA LEU A 651 -0.112 -5.361 0.141 1.00 12.02 C ATOM 1050 C LEU A 651 0.702 -6.666 0.107 1.00 63.14 C ATOM 1051 O LEU A 651 0.352 -7.657 0.765 1.00 32.13 O ATOM 1052 CB LEU A 651 -1.420 -5.531 -0.652 1.00 50.25 C ATOM 1053 CG LEU A 651 -2.356 -6.662 -0.205 1.00 71.04 C ATOM 1054 CD1 LEU A 651 -2.835 -6.450 1.221 1.00 53.24 C ATOM 1055 CD2 LEU A 651 -3.528 -6.794 -1.157 1.00 1.02 C ATOM 0 H LEU A 651 0.312 -3.924 -1.316 1.00 25.34 H new ATOM 0 HA LEU A 651 -0.345 -5.137 1.182 1.00 12.02 H new ATOM 0 HB2 LEU A 651 -1.972 -4.593 -0.602 1.00 50.25 H new ATOM 0 HB3 LEU A 651 -1.164 -5.695 -1.699 1.00 50.25 H new ATOM 0 HG LEU A 651 -1.791 -7.594 -0.228 1.00 71.04 H new ATOM 0 HD11 LEU A 651 -3.496 -7.268 1.508 1.00 53.24 H new ATOM 0 HD12 LEU A 651 -1.977 -6.424 1.893 1.00 53.24 H new ATOM 0 HD13 LEU A 651 -3.376 -5.506 1.287 1.00 53.24 H new ATOM 0 HD21 LEU A 651 -4.179 -7.601 -0.822 1.00 1.02 H new ATOM 0 HD22 LEU A 651 -4.089 -5.859 -1.176 1.00 1.02 H new ATOM 0 HD23 LEU A 651 -3.160 -7.016 -2.159 1.00 1.02 H new ATOM 1067 N GLY A 652 1.775 -6.662 -0.646 1.00 4.01 N ATOM 1068 CA GLY A 652 2.588 -7.838 -0.772 1.00 13.12 C ATOM 1069 C GLY A 652 3.973 -7.656 -0.206 1.00 3.21 C ATOM 1070 O GLY A 652 4.956 -8.031 -0.838 1.00 53.22 O ATOM 0 H GLY A 652 2.102 -5.856 -1.179 1.00 4.01 H new ATOM 0 HA2 GLY A 652 2.099 -8.668 -0.263 1.00 13.12 H new ATOM 0 HA3 GLY A 652 2.664 -8.110 -1.825 1.00 13.12 H new ATOM 1074 N LYS A 653 4.067 -7.068 0.972 1.00 54.42 N ATOM 1075 CA LYS A 653 5.356 -6.915 1.624 1.00 62.13 C ATOM 1076 C LYS A 653 5.210 -7.004 3.139 1.00 30.42 C ATOM 1077 O LYS A 653 4.088 -7.135 3.646 1.00 75.14 O ATOM 1078 CB LYS A 653 6.088 -5.626 1.191 1.00 53.14 C ATOM 1079 CG LYS A 653 5.384 -4.317 1.523 1.00 3.31 C ATOM 1080 CD LYS A 653 6.244 -3.123 1.109 1.00 52.34 C ATOM 1081 CE LYS A 653 6.397 -2.997 -0.401 1.00 13.53 C ATOM 1082 NZ LYS A 653 7.432 -2.012 -0.757 1.00 0.24 N ATOM 0 H LYS A 653 3.275 -6.692 1.493 1.00 54.42 H new ATOM 0 HA LYS A 653 5.985 -7.743 1.297 1.00 62.13 H new ATOM 0 HB2 LYS A 653 7.072 -5.616 1.659 1.00 53.14 H new ATOM 0 HB3 LYS A 653 6.248 -5.667 0.114 1.00 53.14 H new ATOM 0 HG2 LYS A 653 4.423 -4.275 1.011 1.00 3.31 H new ATOM 0 HG3 LYS A 653 5.178 -4.270 2.592 1.00 3.31 H new ATOM 0 HD2 LYS A 653 5.800 -2.208 1.501 1.00 52.34 H new ATOM 0 HD3 LYS A 653 7.231 -3.218 1.562 1.00 52.34 H new ATOM 0 HE2 LYS A 653 6.656 -3.968 -0.824 1.00 13.53 H new ATOM 0 HE3 LYS A 653 5.445 -2.701 -0.841 1.00 13.53 H new ATOM 0 HZ1 LYS A 653 7.487 -1.925 -1.792 1.00 0.24 H new ATOM 0 HZ2 LYS A 653 7.189 -1.089 -0.345 1.00 0.24 H new ATOM 0 HZ3 LYS A 653 8.352 -2.325 -0.386 1.00 0.24 H new ATOM 1096 N ALA A 654 6.328 -6.956 3.842 1.00 34.10 N ATOM 1097 CA ALA A 654 6.365 -7.097 5.301 1.00 54.41 C ATOM 1098 C ALA A 654 5.894 -5.834 6.013 1.00 73.51 C ATOM 1099 O ALA A 654 5.821 -4.774 5.399 1.00 4.34 O ATOM 1100 CB ALA A 654 7.769 -7.430 5.731 1.00 40.22 C ATOM 0 H ALA A 654 7.246 -6.817 3.420 1.00 34.10 H new ATOM 0 HA ALA A 654 5.682 -7.900 5.578 1.00 54.41 H new ATOM 0 HB1 ALA A 654 7.802 -7.536 6.815 1.00 40.22 H new ATOM 0 HB2 ALA A 654 8.080 -8.365 5.265 1.00 40.22 H new ATOM 0 HB3 ALA A 654 8.443 -6.630 5.424 1.00 40.22 H new ATOM 1106 N ASN A 655 5.603 -5.951 7.329 1.00 12.32 N ATOM 1107 CA ASN A 655 5.117 -4.799 8.144 1.00 72.33 C ATOM 1108 C ASN A 655 6.091 -3.629 8.080 1.00 10.12 C ATOM 1109 O ASN A 655 5.693 -2.488 7.821 1.00 75.14 O ATOM 1110 CB ASN A 655 4.921 -5.163 9.643 1.00 22.11 C ATOM 1111 CG ASN A 655 3.771 -6.111 9.988 1.00 51.24 C ATOM 1112 OD1 ASN A 655 3.230 -6.035 11.075 1.00 13.30 O ATOM 1113 ND2 ASN A 655 3.408 -7.004 9.117 1.00 55.55 N ATOM 0 H ASN A 655 5.693 -6.822 7.852 1.00 12.32 H new ATOM 0 HA ASN A 655 4.154 -4.526 7.712 1.00 72.33 H new ATOM 0 HB2 ASN A 655 5.847 -5.609 10.006 1.00 22.11 H new ATOM 0 HB3 ASN A 655 4.774 -4.237 10.199 1.00 22.11 H new ATOM 0 HD21 ASN A 655 2.657 -7.657 9.339 1.00 55.55 H new ATOM 0 HD22 ASN A 655 3.874 -7.052 8.211 1.00 55.55 H new ATOM 1120 N GLN A 656 7.366 -3.925 8.289 1.00 60.10 N ATOM 1121 CA GLN A 656 8.427 -2.909 8.271 1.00 23.21 C ATOM 1122 C GLN A 656 8.521 -2.244 6.933 1.00 63.33 C ATOM 1123 O GLN A 656 8.498 -1.014 6.822 1.00 1.30 O ATOM 1124 CB GLN A 656 9.747 -3.565 8.524 1.00 10.21 C ATOM 1125 CG GLN A 656 9.904 -4.158 9.872 1.00 54.02 C ATOM 1126 CD GLN A 656 11.236 -4.795 10.008 1.00 41.51 C ATOM 1127 OE1 GLN A 656 11.408 -5.991 9.761 1.00 5.32 O ATOM 1128 NE2 GLN A 656 12.194 -3.993 10.284 1.00 11.35 N ATOM 0 H GLN A 656 7.701 -4.870 8.476 1.00 60.10 H new ATOM 0 HA GLN A 656 8.187 -2.171 9.037 1.00 23.21 H new ATOM 0 HB2 GLN A 656 9.895 -4.348 7.780 1.00 10.21 H new ATOM 0 HB3 GLN A 656 10.536 -2.829 8.373 1.00 10.21 H new ATOM 0 HG2 GLN A 656 9.785 -3.385 10.632 1.00 54.02 H new ATOM 0 HG3 GLN A 656 9.122 -4.897 10.044 1.00 54.02 H new ATOM 0 HE21 GLN A 656 11.997 -3.012 10.481 1.00 11.35 H new ATOM 0 HE22 GLN A 656 13.155 -4.335 10.307 1.00 11.35 H new ATOM 1137 N GLU A 657 8.627 -3.073 5.938 1.00 43.50 N ATOM 1138 CA GLU A 657 8.727 -2.659 4.541 1.00 33.14 C ATOM 1139 C GLU A 657 7.549 -1.787 4.169 1.00 33.01 C ATOM 1140 O GLU A 657 7.704 -0.757 3.524 1.00 23.44 O ATOM 1141 CB GLU A 657 8.743 -3.887 3.644 1.00 12.30 C ATOM 1142 CG GLU A 657 9.851 -4.877 3.974 1.00 53.44 C ATOM 1143 CD GLU A 657 11.241 -4.342 3.703 1.00 34.23 C ATOM 1144 OE1 GLU A 657 11.664 -3.377 4.362 1.00 54.21 O ATOM 1145 OE2 GLU A 657 11.954 -4.925 2.849 1.00 0.42 O ATOM 0 H GLU A 657 8.648 -4.085 6.062 1.00 43.50 H new ATOM 0 HA GLU A 657 9.649 -2.093 4.408 1.00 33.14 H new ATOM 0 HB2 GLU A 657 7.781 -4.394 3.721 1.00 12.30 H new ATOM 0 HB3 GLU A 657 8.852 -3.567 2.608 1.00 12.30 H new ATOM 0 HG2 GLU A 657 9.777 -5.156 5.025 1.00 53.44 H new ATOM 0 HG3 GLU A 657 9.700 -5.786 3.391 1.00 53.44 H new ATOM 1152 N ALA A 658 6.372 -2.204 4.596 1.00 42.44 N ATOM 1153 CA ALA A 658 5.157 -1.481 4.336 1.00 64.12 C ATOM 1154 C ALA A 658 5.204 -0.093 4.961 1.00 42.21 C ATOM 1155 O ALA A 658 4.845 0.879 4.329 1.00 63.41 O ATOM 1156 CB ALA A 658 3.960 -2.265 4.831 1.00 41.52 C ATOM 0 H ALA A 658 6.239 -3.059 5.135 1.00 42.44 H new ATOM 0 HA ALA A 658 5.057 -1.353 3.258 1.00 64.12 H new ATOM 0 HB1 ALA A 658 3.048 -1.704 4.627 1.00 41.52 H new ATOM 0 HB2 ALA A 658 3.917 -3.226 4.319 1.00 41.52 H new ATOM 0 HB3 ALA A 658 4.052 -2.430 5.905 1.00 41.52 H new ATOM 1162 N MET A 659 5.676 -0.008 6.187 1.00 24.03 N ATOM 1163 CA MET A 659 5.802 1.283 6.866 1.00 71.20 C ATOM 1164 C MET A 659 6.802 2.159 6.174 1.00 54.24 C ATOM 1165 O MET A 659 6.581 3.363 6.016 1.00 33.23 O ATOM 1166 CB MET A 659 6.195 1.106 8.306 1.00 41.11 C ATOM 1167 CG MET A 659 5.160 0.392 9.109 1.00 4.55 C ATOM 1168 SD MET A 659 5.642 0.163 10.808 1.00 40.13 S ATOM 1169 CE MET A 659 4.143 -0.547 11.414 1.00 52.32 C ATOM 0 H MET A 659 5.980 -0.809 6.740 1.00 24.03 H new ATOM 0 HA MET A 659 4.825 1.764 6.828 1.00 71.20 H new ATOM 0 HB2 MET A 659 7.132 0.551 8.356 1.00 41.11 H new ATOM 0 HB3 MET A 659 6.380 2.084 8.749 1.00 41.11 H new ATOM 0 HG2 MET A 659 4.227 0.955 9.073 1.00 4.55 H new ATOM 0 HG3 MET A 659 4.963 -0.580 8.658 1.00 4.55 H new ATOM 0 HE1 MET A 659 3.952 -0.186 12.424 1.00 52.32 H new ATOM 0 HE2 MET A 659 3.316 -0.261 10.764 1.00 52.32 H new ATOM 0 HE3 MET A 659 4.235 -1.633 11.428 1.00 52.32 H new ATOM 1179 N GLU A 660 7.892 1.555 5.759 1.00 65.24 N ATOM 1180 CA GLU A 660 8.912 2.213 5.034 1.00 14.12 C ATOM 1181 C GLU A 660 8.321 2.744 3.720 1.00 32.03 C ATOM 1182 O GLU A 660 8.525 3.902 3.374 1.00 62.44 O ATOM 1183 CB GLU A 660 10.074 1.211 4.868 1.00 2.51 C ATOM 1184 CG GLU A 660 11.324 1.703 4.189 1.00 14.34 C ATOM 1185 CD GLU A 660 11.242 1.714 2.688 1.00 5.30 C ATOM 1186 OE1 GLU A 660 11.381 0.630 2.084 1.00 60.40 O ATOM 1187 OE2 GLU A 660 11.048 2.782 2.090 1.00 15.11 O ATOM 0 H GLU A 660 8.082 0.567 5.929 1.00 65.24 H new ATOM 0 HA GLU A 660 9.314 3.087 5.546 1.00 14.12 H new ATOM 0 HB2 GLU A 660 10.350 0.848 5.858 1.00 2.51 H new ATOM 0 HB3 GLU A 660 9.702 0.354 4.307 1.00 2.51 H new ATOM 0 HG2 GLU A 660 11.541 2.713 4.538 1.00 14.34 H new ATOM 0 HG3 GLU A 660 12.161 1.074 4.492 1.00 14.34 H new ATOM 1194 N THR A 661 7.530 1.907 3.052 1.00 10.05 N ATOM 1195 CA THR A 661 6.823 2.285 1.844 1.00 50.51 C ATOM 1196 C THR A 661 5.837 3.443 2.121 1.00 42.21 C ATOM 1197 O THR A 661 5.797 4.418 1.371 1.00 40.52 O ATOM 1198 CB THR A 661 6.043 1.085 1.263 1.00 1.35 C ATOM 1199 OG1 THR A 661 6.958 0.030 0.952 1.00 53.44 O ATOM 1200 CG2 THR A 661 5.290 1.485 -0.001 1.00 11.24 C ATOM 0 H THR A 661 7.365 0.943 3.341 1.00 10.05 H new ATOM 0 HA THR A 661 7.569 2.613 1.120 1.00 50.51 H new ATOM 0 HB THR A 661 5.321 0.750 2.007 1.00 1.35 H new ATOM 0 HG1 THR A 661 7.312 -0.351 1.782 1.00 53.44 H new ATOM 0 HG21 THR A 661 4.749 0.623 -0.390 1.00 11.24 H new ATOM 0 HG22 THR A 661 4.583 2.281 0.233 1.00 11.24 H new ATOM 0 HG23 THR A 661 5.999 1.837 -0.750 1.00 11.24 H new ATOM 1208 N LEU A 662 5.056 3.325 3.206 1.00 4.12 N ATOM 1209 CA LEU A 662 4.070 4.353 3.580 1.00 11.12 C ATOM 1210 C LEU A 662 4.720 5.688 3.767 1.00 41.25 C ATOM 1211 O LEU A 662 4.382 6.640 3.076 1.00 4.50 O ATOM 1212 CB LEU A 662 3.333 3.993 4.886 1.00 14.51 C ATOM 1213 CG LEU A 662 2.402 2.783 4.884 1.00 65.24 C ATOM 1214 CD1 LEU A 662 1.897 2.523 6.296 1.00 44.40 C ATOM 1215 CD2 LEU A 662 1.222 3.023 3.957 1.00 2.21 C ATOM 0 H LEU A 662 5.088 2.527 3.841 1.00 4.12 H new ATOM 0 HA LEU A 662 3.354 4.398 2.759 1.00 11.12 H new ATOM 0 HB2 LEU A 662 4.085 3.832 5.658 1.00 14.51 H new ATOM 0 HB3 LEU A 662 2.748 4.862 5.187 1.00 14.51 H new ATOM 0 HG LEU A 662 2.957 1.915 4.529 1.00 65.24 H new ATOM 0 HD11 LEU A 662 1.233 1.659 6.291 1.00 44.40 H new ATOM 0 HD12 LEU A 662 2.743 2.327 6.955 1.00 44.40 H new ATOM 0 HD13 LEU A 662 1.353 3.397 6.655 1.00 44.40 H new ATOM 0 HD21 LEU A 662 0.568 2.151 3.967 1.00 2.21 H new ATOM 0 HD22 LEU A 662 0.666 3.897 4.295 1.00 2.21 H new ATOM 0 HD23 LEU A 662 1.584 3.193 2.943 1.00 2.21 H new ATOM 1227 N ARG A 663 5.700 5.744 4.654 1.00 53.04 N ATOM 1228 CA ARG A 663 6.349 7.003 4.980 1.00 31.30 C ATOM 1229 C ARG A 663 7.043 7.577 3.740 1.00 12.31 C ATOM 1230 O ARG A 663 7.013 8.784 3.492 1.00 72.55 O ATOM 1231 CB ARG A 663 7.347 6.814 6.120 1.00 5.52 C ATOM 1232 CG ARG A 663 6.714 6.278 7.398 1.00 24.32 C ATOM 1233 CD ARG A 663 7.738 6.089 8.501 1.00 24.31 C ATOM 1234 NE ARG A 663 8.343 7.352 8.930 1.00 72.13 N ATOM 1235 CZ ARG A 663 9.449 7.453 9.677 1.00 34.22 C ATOM 1236 NH1 ARG A 663 10.099 6.360 10.062 1.00 4.22 N ATOM 1237 NH2 ARG A 663 9.896 8.645 10.038 1.00 42.14 N ATOM 0 H ARG A 663 6.062 4.936 5.159 1.00 53.04 H new ATOM 0 HA ARG A 663 5.589 7.711 5.310 1.00 31.30 H new ATOM 0 HB2 ARG A 663 8.131 6.129 5.797 1.00 5.52 H new ATOM 0 HB3 ARG A 663 7.827 7.769 6.334 1.00 5.52 H new ATOM 0 HG2 ARG A 663 5.940 6.967 7.736 1.00 24.32 H new ATOM 0 HG3 ARG A 663 6.225 5.326 7.189 1.00 24.32 H new ATOM 0 HD2 ARG A 663 7.261 5.610 9.356 1.00 24.31 H new ATOM 0 HD3 ARG A 663 8.521 5.415 8.153 1.00 24.31 H new ATOM 0 HE ARG A 663 7.889 8.217 8.638 1.00 72.13 H new ATOM 0 HH11 ARG A 663 9.756 5.439 9.788 1.00 4.22 H new ATOM 0 HH12 ARG A 663 10.941 6.442 10.631 1.00 4.22 H new ATOM 0 HH21 ARG A 663 9.398 9.486 9.747 1.00 42.14 H new ATOM 0 HH22 ARG A 663 10.739 8.723 10.607 1.00 42.14 H new ATOM 1251 N ARG A 664 7.624 6.680 2.942 1.00 71.02 N ATOM 1252 CA ARG A 664 8.296 7.038 1.691 1.00 35.51 C ATOM 1253 C ARG A 664 7.319 7.665 0.739 1.00 1.32 C ATOM 1254 O ARG A 664 7.588 8.693 0.172 1.00 62.14 O ATOM 1255 CB ARG A 664 8.898 5.790 1.044 1.00 21.32 C ATOM 1256 CG ARG A 664 9.682 6.046 -0.223 1.00 1.34 C ATOM 1257 CD ARG A 664 10.232 4.751 -0.800 1.00 44.12 C ATOM 1258 NE ARG A 664 9.181 3.840 -1.296 1.00 22.42 N ATOM 1259 CZ ARG A 664 9.237 2.496 -1.238 1.00 4.44 C ATOM 1260 NH1 ARG A 664 10.066 1.899 -0.390 1.00 2.34 N ATOM 1261 NH2 ARG A 664 8.388 1.760 -1.948 1.00 71.40 N ATOM 0 H ARG A 664 7.642 5.681 3.146 1.00 71.02 H new ATOM 0 HA ARG A 664 9.090 7.751 1.916 1.00 35.51 H new ATOM 0 HB2 ARG A 664 9.553 5.303 1.767 1.00 21.32 H new ATOM 0 HB3 ARG A 664 8.093 5.090 0.821 1.00 21.32 H new ATOM 0 HG2 ARG A 664 9.041 6.532 -0.959 1.00 1.34 H new ATOM 0 HG3 ARG A 664 10.503 6.732 -0.014 1.00 1.34 H new ATOM 0 HD2 ARG A 664 10.914 4.986 -1.617 1.00 44.12 H new ATOM 0 HD3 ARG A 664 10.815 4.239 -0.035 1.00 44.12 H new ATOM 0 HE ARG A 664 8.351 4.260 -1.714 1.00 22.42 H new ATOM 0 HH11 ARG A 664 10.662 2.459 0.220 1.00 2.34 H new ATOM 0 HH12 ARG A 664 10.106 0.881 -0.348 1.00 2.34 H new ATOM 0 HH21 ARG A 664 7.691 2.213 -2.539 1.00 71.40 H new ATOM 0 HH22 ARG A 664 8.433 0.742 -1.902 1.00 71.40 H new ATOM 1275 N SER A 665 6.180 7.063 0.600 1.00 3.14 N ATOM 1276 CA SER A 665 5.203 7.530 -0.330 1.00 12.34 C ATOM 1277 C SER A 665 4.612 8.856 0.125 1.00 45.33 C ATOM 1278 O SER A 665 4.313 9.707 -0.684 1.00 33.40 O ATOM 1279 CB SER A 665 4.131 6.477 -0.516 1.00 33.34 C ATOM 1280 OG SER A 665 4.706 5.256 -0.969 1.00 60.41 O ATOM 0 H SER A 665 5.902 6.235 1.127 1.00 3.14 H new ATOM 0 HA SER A 665 5.682 7.706 -1.293 1.00 12.34 H new ATOM 0 HB2 SER A 665 3.607 6.312 0.426 1.00 33.34 H new ATOM 0 HB3 SER A 665 3.391 6.826 -1.236 1.00 33.34 H new ATOM 0 HG SER A 665 5.263 4.874 -0.259 1.00 60.41 H new ATOM 1286 N MET A 666 4.490 9.038 1.420 1.00 72.13 N ATOM 1287 CA MET A 666 3.949 10.279 1.959 1.00 21.30 C ATOM 1288 C MET A 666 4.928 11.406 1.740 1.00 3.42 C ATOM 1289 O MET A 666 4.555 12.499 1.364 1.00 74.42 O ATOM 1290 CB MET A 666 3.686 10.146 3.445 1.00 20.15 C ATOM 1291 CG MET A 666 2.778 9.009 3.806 1.00 12.13 C ATOM 1292 SD MET A 666 2.532 8.867 5.562 1.00 74.21 S ATOM 1293 CE MET A 666 1.626 10.360 5.882 1.00 74.44 C ATOM 0 H MET A 666 4.755 8.349 2.123 1.00 72.13 H new ATOM 0 HA MET A 666 3.012 10.492 1.444 1.00 21.30 H new ATOM 0 HB2 MET A 666 4.637 10.015 3.961 1.00 20.15 H new ATOM 0 HB3 MET A 666 3.250 11.076 3.811 1.00 20.15 H new ATOM 0 HG2 MET A 666 1.814 9.149 3.317 1.00 12.13 H new ATOM 0 HG3 MET A 666 3.197 8.078 3.424 1.00 12.13 H new ATOM 0 HE1 MET A 666 0.895 10.180 6.670 1.00 74.44 H new ATOM 0 HE2 MET A 666 2.315 11.143 6.198 1.00 74.44 H new ATOM 0 HE3 MET A 666 1.111 10.675 4.974 1.00 74.44 H new ATOM 1303 N SER A 667 6.178 11.111 1.951 1.00 43.44 N ATOM 1304 CA SER A 667 7.217 12.096 1.824 1.00 72.31 C ATOM 1305 C SER A 667 7.551 12.347 0.343 1.00 14.34 C ATOM 1306 O SER A 667 7.559 13.493 -0.121 1.00 21.43 O ATOM 1307 CB SER A 667 8.464 11.630 2.601 1.00 23.11 C ATOM 1308 OG SER A 667 9.460 12.643 2.666 1.00 65.52 O ATOM 0 H SER A 667 6.507 10.183 2.216 1.00 43.44 H new ATOM 0 HA SER A 667 6.870 13.039 2.247 1.00 72.31 H new ATOM 0 HB2 SER A 667 8.175 11.341 3.611 1.00 23.11 H new ATOM 0 HB3 SER A 667 8.879 10.743 2.122 1.00 23.11 H new ATOM 0 HG SER A 667 10.233 12.310 3.168 1.00 65.52 H new ATOM 1314 N THR A 668 7.788 11.278 -0.395 1.00 45.22 N ATOM 1315 CA THR A 668 8.184 11.374 -1.779 1.00 34.41 C ATOM 1316 C THR A 668 7.019 11.766 -2.688 1.00 25.30 C ATOM 1317 O THR A 668 7.129 12.698 -3.474 1.00 13.41 O ATOM 1318 CB THR A 668 8.821 10.053 -2.250 1.00 32.10 C ATOM 1319 OG1 THR A 668 9.965 9.758 -1.424 1.00 74.41 O ATOM 1320 CG2 THR A 668 9.257 10.113 -3.711 1.00 53.02 C ATOM 0 H THR A 668 7.710 10.322 -0.048 1.00 45.22 H new ATOM 0 HA THR A 668 8.926 12.169 -1.849 1.00 34.41 H new ATOM 0 HB THR A 668 8.068 9.270 -2.161 1.00 32.10 H new ATOM 0 HG1 THR A 668 9.669 9.312 -0.603 1.00 74.41 H new ATOM 0 HG21 THR A 668 9.700 9.159 -3.998 1.00 53.02 H new ATOM 0 HG22 THR A 668 8.391 10.315 -4.341 1.00 53.02 H new ATOM 0 HG23 THR A 668 9.992 10.908 -3.839 1.00 53.02 H new ATOM 1328 N GLU A 669 5.910 11.081 -2.564 1.00 5.53 N ATOM 1329 CA GLU A 669 4.758 11.363 -3.422 1.00 4.34 C ATOM 1330 C GLU A 669 3.769 12.333 -2.788 1.00 33.21 C ATOM 1331 O GLU A 669 3.309 13.253 -3.438 1.00 43.12 O ATOM 1332 CB GLU A 669 4.052 10.080 -3.861 1.00 61.03 C ATOM 1333 CG GLU A 669 4.833 9.242 -4.858 1.00 4.43 C ATOM 1334 CD GLU A 669 5.024 9.962 -6.178 1.00 10.42 C ATOM 1335 OE1 GLU A 669 4.072 9.965 -7.010 1.00 1.55 O ATOM 1336 OE2 GLU A 669 6.103 10.533 -6.405 1.00 44.43 O ATOM 0 H GLU A 669 5.768 10.330 -1.889 1.00 5.53 H new ATOM 0 HA GLU A 669 5.160 11.853 -4.309 1.00 4.34 H new ATOM 0 HB2 GLU A 669 3.845 9.474 -2.979 1.00 61.03 H new ATOM 0 HB3 GLU A 669 3.090 10.342 -4.301 1.00 61.03 H new ATOM 0 HG2 GLU A 669 5.807 8.992 -4.437 1.00 4.43 H new ATOM 0 HG3 GLU A 669 4.309 8.302 -5.030 1.00 4.43 H new ATOM 1343 N GLY A 670 3.468 12.127 -1.524 1.00 22.22 N ATOM 1344 CA GLY A 670 2.500 12.960 -0.814 1.00 34.12 C ATOM 1345 C GLY A 670 2.841 14.439 -0.844 1.00 51.34 C ATOM 1346 O GLY A 670 2.045 15.250 -1.333 1.00 14.14 O ATOM 0 H GLY A 670 3.879 11.386 -0.956 1.00 22.22 H new ATOM 0 HA2 GLY A 670 1.514 12.813 -1.254 1.00 34.12 H new ATOM 0 HA3 GLY A 670 2.439 12.630 0.223 1.00 34.12 H new ATOM 1350 N ASN A 671 4.037 14.787 -0.368 1.00 63.41 N ATOM 1351 CA ASN A 671 4.473 16.196 -0.327 1.00 45.14 C ATOM 1352 C ASN A 671 4.784 16.732 -1.725 1.00 62.35 C ATOM 1353 O ASN A 671 5.022 17.926 -1.910 1.00 34.42 O ATOM 1354 CB ASN A 671 5.690 16.403 0.606 1.00 3.32 C ATOM 1355 CG ASN A 671 5.408 16.090 2.076 1.00 24.30 C ATOM 1356 OD1 ASN A 671 5.597 14.964 2.538 1.00 71.31 O ATOM 1357 ND2 ASN A 671 4.949 17.074 2.814 1.00 42.25 N ATOM 0 H ASN A 671 4.722 14.123 -0.006 1.00 63.41 H new ATOM 0 HA ASN A 671 3.636 16.763 0.081 1.00 45.14 H new ATOM 0 HB2 ASN A 671 6.510 15.773 0.262 1.00 3.32 H new ATOM 0 HB3 ASN A 671 6.026 17.437 0.523 1.00 3.32 H new ATOM 0 HD21 ASN A 671 4.738 16.917 3.800 1.00 42.25 H new ATOM 0 HD22 ASN A 671 4.803 17.996 2.402 1.00 42.25 H new ATOM 1364 N LYS A 672 4.786 15.846 -2.698 1.00 54.44 N ATOM 1365 CA LYS A 672 5.026 16.212 -4.081 1.00 41.45 C ATOM 1366 C LYS A 672 3.709 16.529 -4.779 1.00 44.23 C ATOM 1367 O LYS A 672 3.536 17.608 -5.343 1.00 75.12 O ATOM 1368 CB LYS A 672 5.732 15.064 -4.819 1.00 21.14 C ATOM 1369 CG LYS A 672 5.957 15.296 -6.318 1.00 22.02 C ATOM 1370 CD LYS A 672 6.912 16.447 -6.611 1.00 50.33 C ATOM 1371 CE LYS A 672 8.323 16.148 -6.131 1.00 13.42 C ATOM 1372 NZ LYS A 672 9.262 17.242 -6.463 1.00 2.02 N ATOM 0 H LYS A 672 4.621 14.850 -2.554 1.00 54.44 H new ATOM 0 HA LYS A 672 5.663 17.096 -4.098 1.00 41.45 H new ATOM 0 HB2 LYS A 672 6.698 14.888 -4.345 1.00 21.14 H new ATOM 0 HB3 LYS A 672 5.144 14.155 -4.692 1.00 21.14 H new ATOM 0 HG2 LYS A 672 6.351 14.383 -6.765 1.00 22.02 H new ATOM 0 HG3 LYS A 672 4.998 15.497 -6.796 1.00 22.02 H new ATOM 0 HD2 LYS A 672 6.927 16.643 -7.683 1.00 50.33 H new ATOM 0 HD3 LYS A 672 6.548 17.353 -6.127 1.00 50.33 H new ATOM 0 HE2 LYS A 672 8.314 15.992 -5.052 1.00 13.42 H new ATOM 0 HE3 LYS A 672 8.672 15.220 -6.584 1.00 13.42 H new ATOM 0 HZ1 LYS A 672 10.213 17.000 -6.119 1.00 2.02 H new ATOM 0 HZ2 LYS A 672 9.290 17.374 -7.494 1.00 2.02 H new ATOM 0 HZ3 LYS A 672 8.944 18.122 -6.010 1.00 2.02 H new ATOM 1386 N ARG A 673 2.785 15.587 -4.723 1.00 34.40 N ATOM 1387 CA ARG A 673 1.508 15.696 -5.425 1.00 31.11 C ATOM 1388 C ARG A 673 0.596 16.709 -4.748 1.00 51.32 C ATOM 1389 O ARG A 673 -0.254 17.318 -5.392 1.00 3.53 O ATOM 1390 CB ARG A 673 0.799 14.333 -5.467 1.00 64.45 C ATOM 1391 CG ARG A 673 1.626 13.196 -6.055 1.00 35.00 C ATOM 1392 CD ARG A 673 2.042 13.447 -7.493 1.00 24.45 C ATOM 1393 NE ARG A 673 2.930 12.384 -7.968 1.00 15.13 N ATOM 1394 CZ ARG A 673 3.480 12.306 -9.176 1.00 2.51 C ATOM 1395 NH1 ARG A 673 3.164 13.183 -10.128 1.00 44.45 N ATOM 1396 NH2 ARG A 673 4.332 11.331 -9.426 1.00 41.20 N ATOM 0 H ARG A 673 2.893 14.723 -4.191 1.00 34.40 H new ATOM 0 HA ARG A 673 1.719 16.031 -6.441 1.00 31.11 H new ATOM 0 HB2 ARG A 673 0.505 14.062 -4.453 1.00 64.45 H new ATOM 0 HB3 ARG A 673 -0.117 14.434 -6.049 1.00 64.45 H new ATOM 0 HG2 ARG A 673 2.517 13.049 -5.445 1.00 35.00 H new ATOM 0 HG3 ARG A 673 1.050 12.272 -6.005 1.00 35.00 H new ATOM 0 HD2 ARG A 673 1.158 13.500 -8.128 1.00 24.45 H new ATOM 0 HD3 ARG A 673 2.547 14.410 -7.568 1.00 24.45 H new ATOM 0 HE ARG A 673 3.147 11.634 -7.311 1.00 15.13 H new ATOM 0 HH11 ARG A 673 2.493 13.926 -9.934 1.00 44.45 H new ATOM 0 HH12 ARG A 673 3.594 13.111 -11.050 1.00 44.45 H new ATOM 0 HH21 ARG A 673 4.559 10.653 -8.699 1.00 41.20 H new ATOM 0 HH22 ARG A 673 4.764 11.255 -10.347 1.00 41.20 H new ATOM 1410 N GLY A 674 0.762 16.866 -3.449 1.00 13.45 N ATOM 1411 CA GLY A 674 -0.077 17.780 -2.701 1.00 71.14 C ATOM 1412 C GLY A 674 -1.232 17.043 -2.074 1.00 73.21 C ATOM 1413 O GLY A 674 -1.931 17.564 -1.190 1.00 71.44 O ATOM 0 H GLY A 674 1.464 16.377 -2.894 1.00 13.45 H new ATOM 0 HA2 GLY A 674 0.511 18.272 -1.927 1.00 71.14 H new ATOM 0 HA3 GLY A 674 -0.452 18.562 -3.361 1.00 71.14 H new ATOM 1417 N MET A 675 -1.423 15.823 -2.532 1.00 13.13 N ATOM 1418 CA MET A 675 -2.456 14.949 -2.057 1.00 24.53 C ATOM 1419 C MET A 675 -1.985 13.521 -2.116 1.00 11.43 C ATOM 1420 O MET A 675 -1.217 13.137 -3.014 1.00 64.10 O ATOM 1421 CB MET A 675 -3.775 15.143 -2.834 1.00 31.31 C ATOM 1422 CG MET A 675 -3.662 14.965 -4.342 1.00 71.42 C ATOM 1423 SD MET A 675 -5.210 15.317 -5.206 1.00 22.32 S ATOM 1424 CE MET A 675 -5.480 17.043 -4.770 1.00 34.50 C ATOM 0 H MET A 675 -0.845 15.409 -3.263 1.00 13.13 H new ATOM 0 HA MET A 675 -2.668 15.203 -1.018 1.00 24.53 H new ATOM 0 HB2 MET A 675 -4.512 14.435 -2.453 1.00 31.31 H new ATOM 0 HB3 MET A 675 -4.157 16.143 -2.628 1.00 31.31 H new ATOM 0 HG2 MET A 675 -2.881 15.622 -4.723 1.00 71.42 H new ATOM 0 HG3 MET A 675 -3.353 13.943 -4.561 1.00 71.42 H new ATOM 0 HE1 MET A 675 -6.154 17.500 -5.495 1.00 34.50 H new ATOM 0 HE2 MET A 675 -5.922 17.102 -3.776 1.00 34.50 H new ATOM 0 HE3 MET A 675 -4.528 17.573 -4.776 1.00 34.50 H new ATOM 1434 N ILE A 676 -2.415 12.766 -1.167 1.00 3.43 N ATOM 1435 CA ILE A 676 -2.043 11.407 -1.013 1.00 60.30 C ATOM 1436 C ILE A 676 -3.244 10.488 -1.265 1.00 63.20 C ATOM 1437 O ILE A 676 -4.342 10.745 -0.807 1.00 33.55 O ATOM 1438 CB ILE A 676 -1.412 11.161 0.393 1.00 15.42 C ATOM 1439 CG1 ILE A 676 -1.126 9.673 0.581 1.00 53.24 C ATOM 1440 CG2 ILE A 676 -2.321 11.704 1.493 1.00 12.53 C ATOM 1441 CD1 ILE A 676 -0.311 9.316 1.794 1.00 20.23 C ATOM 0 H ILE A 676 -3.061 13.093 -0.449 1.00 3.43 H new ATOM 0 HA ILE A 676 -1.283 11.168 -1.757 1.00 60.30 H new ATOM 0 HB ILE A 676 -0.466 11.698 0.460 1.00 15.42 H new ATOM 0 HG12 ILE A 676 -2.077 9.143 0.635 1.00 53.24 H new ATOM 0 HG13 ILE A 676 -0.607 9.306 -0.304 1.00 53.24 H new ATOM 0 HG21 ILE A 676 -1.863 11.523 2.466 1.00 12.53 H new ATOM 0 HG22 ILE A 676 -2.462 12.776 1.352 1.00 12.53 H new ATOM 0 HG23 ILE A 676 -3.287 11.202 1.447 1.00 12.53 H new ATOM 0 HD11 ILE A 676 -0.167 8.236 1.831 1.00 20.23 H new ATOM 0 HD12 ILE A 676 0.659 9.810 1.739 1.00 20.23 H new ATOM 0 HD13 ILE A 676 -0.834 9.643 2.693 1.00 20.23 H new ATOM 1453 N GLN A 677 -3.021 9.454 -2.009 1.00 72.23 N ATOM 1454 CA GLN A 677 -4.060 8.503 -2.365 1.00 30.04 C ATOM 1455 C GLN A 677 -3.902 7.220 -1.568 1.00 12.51 C ATOM 1456 O GLN A 677 -2.819 6.691 -1.466 1.00 41.42 O ATOM 1457 CB GLN A 677 -3.992 8.212 -3.858 1.00 31.34 C ATOM 1458 CG GLN A 677 -5.020 7.216 -4.351 1.00 24.23 C ATOM 1459 CD GLN A 677 -5.001 7.044 -5.853 1.00 44.00 C ATOM 1460 OE1 GLN A 677 -5.300 5.973 -6.362 1.00 55.31 O ATOM 1461 NE2 GLN A 677 -4.675 8.096 -6.568 1.00 41.34 N ATOM 0 H GLN A 677 -2.105 9.230 -2.399 1.00 72.23 H new ATOM 0 HA GLN A 677 -5.033 8.933 -2.128 1.00 30.04 H new ATOM 0 HB2 GLN A 677 -4.120 9.147 -4.404 1.00 31.34 H new ATOM 0 HB3 GLN A 677 -2.997 7.837 -4.097 1.00 31.34 H new ATOM 0 HG2 GLN A 677 -4.839 6.251 -3.878 1.00 24.23 H new ATOM 0 HG3 GLN A 677 -6.013 7.542 -4.040 1.00 24.23 H new ATOM 0 HE21 GLN A 677 -4.432 8.972 -6.105 1.00 41.34 H new ATOM 0 HE22 GLN A 677 -4.665 8.037 -7.586 1.00 41.34 H new ATOM 1470 N LEU A 678 -4.965 6.734 -1.003 1.00 15.33 N ATOM 1471 CA LEU A 678 -4.906 5.535 -0.205 1.00 54.00 C ATOM 1472 C LEU A 678 -5.937 4.552 -0.701 1.00 52.32 C ATOM 1473 O LEU A 678 -7.110 4.905 -0.859 1.00 43.22 O ATOM 1474 CB LEU A 678 -5.215 5.809 1.295 1.00 43.04 C ATOM 1475 CG LEU A 678 -4.442 6.915 2.030 1.00 41.51 C ATOM 1476 CD1 LEU A 678 -2.949 6.707 1.931 1.00 74.11 C ATOM 1477 CD2 LEU A 678 -4.867 8.311 1.571 1.00 11.34 C ATOM 0 H LEU A 678 -5.894 7.149 -1.077 1.00 15.33 H new ATOM 0 HA LEU A 678 -3.893 5.144 -0.295 1.00 54.00 H new ATOM 0 HB2 LEU A 678 -6.277 6.043 1.374 1.00 43.04 H new ATOM 0 HB3 LEU A 678 -5.052 4.878 1.839 1.00 43.04 H new ATOM 0 HG LEU A 678 -4.702 6.846 3.086 1.00 41.51 H new ATOM 0 HD11 LEU A 678 -2.434 7.508 2.462 1.00 74.11 H new ATOM 0 HD12 LEU A 678 -2.685 5.748 2.376 1.00 74.11 H new ATOM 0 HD13 LEU A 678 -2.649 6.715 0.883 1.00 74.11 H new ATOM 0 HD21 LEU A 678 -4.296 9.063 2.116 1.00 11.34 H new ATOM 0 HD22 LEU A 678 -4.678 8.416 0.503 1.00 11.34 H new ATOM 0 HD23 LEU A 678 -5.930 8.451 1.767 1.00 11.34 H new ATOM 1489 N ILE A 679 -5.521 3.355 -0.971 1.00 55.31 N ATOM 1490 CA ILE A 679 -6.444 2.308 -1.300 1.00 34.42 C ATOM 1491 C ILE A 679 -6.519 1.400 -0.103 1.00 31.04 C ATOM 1492 O ILE A 679 -5.513 0.793 0.286 1.00 42.23 O ATOM 1493 CB ILE A 679 -6.072 1.460 -2.582 1.00 70.53 C ATOM 1494 CG1 ILE A 679 -6.076 2.302 -3.884 1.00 45.22 C ATOM 1495 CG2 ILE A 679 -7.032 0.285 -2.742 1.00 33.34 C ATOM 1496 CD1 ILE A 679 -4.984 3.340 -3.995 1.00 3.24 C ATOM 0 H ILE A 679 -4.540 3.074 -0.971 1.00 55.31 H new ATOM 0 HA ILE A 679 -7.396 2.778 -1.546 1.00 34.42 H new ATOM 0 HB ILE A 679 -5.056 1.098 -2.425 1.00 70.53 H new ATOM 0 HG12 ILE A 679 -5.996 1.624 -4.734 1.00 45.22 H new ATOM 0 HG13 ILE A 679 -7.040 2.804 -3.967 1.00 45.22 H new ATOM 0 HG21 ILE A 679 -6.761 -0.288 -3.629 1.00 33.34 H new ATOM 0 HG22 ILE A 679 -6.971 -0.357 -1.863 1.00 33.34 H new ATOM 0 HG23 ILE A 679 -8.050 0.659 -2.848 1.00 33.34 H new ATOM 0 HD11 ILE A 679 -5.081 3.870 -4.943 1.00 3.24 H new ATOM 0 HD12 ILE A 679 -5.071 4.049 -3.172 1.00 3.24 H new ATOM 0 HD13 ILE A 679 -4.011 2.851 -3.951 1.00 3.24 H new ATOM 1508 N VAL A 680 -7.664 1.334 0.489 1.00 42.24 N ATOM 1509 CA VAL A 680 -7.885 0.530 1.667 1.00 14.21 C ATOM 1510 C VAL A 680 -9.020 -0.443 1.421 1.00 73.02 C ATOM 1511 O VAL A 680 -9.908 -0.183 0.594 1.00 32.22 O ATOM 1512 CB VAL A 680 -8.188 1.404 2.916 1.00 54.01 C ATOM 1513 CG1 VAL A 680 -6.958 2.185 3.334 1.00 50.10 C ATOM 1514 CG2 VAL A 680 -9.334 2.362 2.640 1.00 20.20 C ATOM 0 H VAL A 680 -8.491 1.840 0.172 1.00 42.24 H new ATOM 0 HA VAL A 680 -6.968 -0.023 1.870 1.00 14.21 H new ATOM 0 HB VAL A 680 -8.476 0.736 3.728 1.00 54.01 H new ATOM 0 HG11 VAL A 680 -7.192 2.790 4.210 1.00 50.10 H new ATOM 0 HG12 VAL A 680 -6.152 1.492 3.576 1.00 50.10 H new ATOM 0 HG13 VAL A 680 -6.645 2.835 2.517 1.00 50.10 H new ATOM 0 HG21 VAL A 680 -9.528 2.963 3.528 1.00 20.20 H new ATOM 0 HG22 VAL A 680 -9.069 3.017 1.810 1.00 20.20 H new ATOM 0 HG23 VAL A 680 -10.229 1.795 2.384 1.00 20.20 H new ATOM 1524 N ALA A 681 -8.993 -1.543 2.103 1.00 72.44 N ATOM 1525 CA ALA A 681 -9.964 -2.574 1.916 1.00 62.10 C ATOM 1526 C ALA A 681 -10.759 -2.813 3.180 1.00 54.43 C ATOM 1527 O ALA A 681 -10.189 -3.079 4.244 1.00 2.42 O ATOM 1528 CB ALA A 681 -9.273 -3.857 1.490 1.00 2.54 C ATOM 0 H ALA A 681 -8.290 -1.753 2.812 1.00 72.44 H new ATOM 0 HA ALA A 681 -10.656 -2.254 1.137 1.00 62.10 H new ATOM 0 HB1 ALA A 681 -10.017 -4.641 1.348 1.00 2.54 H new ATOM 0 HB2 ALA A 681 -8.740 -3.690 0.554 1.00 2.54 H new ATOM 0 HB3 ALA A 681 -8.566 -4.163 2.261 1.00 2.54 H new ATOM 1534 N ARG A 682 -12.064 -2.785 3.049 1.00 43.35 N ATOM 1535 CA ARG A 682 -12.953 -3.039 4.172 1.00 34.31 C ATOM 1536 C ARG A 682 -13.594 -4.390 3.949 1.00 3.32 C ATOM 1537 O ARG A 682 -13.868 -4.769 2.797 1.00 3.31 O ATOM 1538 CB ARG A 682 -14.111 -1.992 4.253 1.00 21.13 C ATOM 1539 CG ARG A 682 -14.950 -1.968 2.980 1.00 34.12 C ATOM 1540 CD ARG A 682 -16.380 -1.449 3.144 1.00 15.32 C ATOM 1541 NE ARG A 682 -16.487 -0.066 3.595 1.00 22.45 N ATOM 1542 CZ ARG A 682 -17.147 0.902 2.924 1.00 4.13 C ATOM 1543 NH1 ARG A 682 -17.520 0.719 1.654 1.00 13.41 N ATOM 1544 NH2 ARG A 682 -17.398 2.077 3.522 1.00 15.15 N ATOM 0 H ARG A 682 -12.543 -2.588 2.170 1.00 43.35 H new ATOM 0 HA ARG A 682 -12.367 -2.987 5.090 1.00 34.31 H new ATOM 0 HB2 ARG A 682 -14.751 -2.224 5.104 1.00 21.13 H new ATOM 0 HB3 ARG A 682 -13.692 -1.001 4.430 1.00 21.13 H new ATOM 0 HG2 ARG A 682 -14.440 -1.350 2.241 1.00 34.12 H new ATOM 0 HG3 ARG A 682 -14.993 -2.979 2.575 1.00 34.12 H new ATOM 0 HD2 ARG A 682 -16.897 -1.545 2.189 1.00 15.32 H new ATOM 0 HD3 ARG A 682 -16.903 -2.089 3.855 1.00 15.32 H new ATOM 0 HE ARG A 682 -16.034 0.186 4.474 1.00 22.45 H new ATOM 0 HH11 ARG A 682 -17.307 -0.159 1.181 1.00 13.41 H new ATOM 0 HH12 ARG A 682 -18.018 1.458 1.157 1.00 13.41 H new ATOM 0 HH21 ARG A 682 -17.090 2.237 4.481 1.00 15.15 H new ATOM 0 HH22 ARG A 682 -17.896 2.810 3.017 1.00 15.15 H new ATOM 1558 N ARG A 683 -13.799 -5.131 4.998 1.00 55.33 N ATOM 1559 CA ARG A 683 -14.526 -6.363 4.882 1.00 33.21 C ATOM 1560 C ARG A 683 -15.974 -6.112 5.157 1.00 20.14 C ATOM 1561 O ARG A 683 -16.322 -5.349 6.062 1.00 55.04 O ATOM 1562 CB ARG A 683 -14.002 -7.458 5.800 1.00 33.34 C ATOM 1563 CG ARG A 683 -12.590 -7.895 5.504 1.00 73.41 C ATOM 1564 CD ARG A 683 -12.187 -9.049 6.392 1.00 23.11 C ATOM 1565 NE ARG A 683 -13.054 -10.230 6.202 1.00 14.02 N ATOM 1566 CZ ARG A 683 -12.672 -11.489 6.428 1.00 73.31 C ATOM 1567 NH1 ARG A 683 -11.432 -11.744 6.832 1.00 1.12 N ATOM 1568 NH2 ARG A 683 -13.527 -12.492 6.236 1.00 53.13 N ATOM 0 H ARG A 683 -13.476 -4.907 5.939 1.00 55.33 H new ATOM 0 HA ARG A 683 -14.388 -6.723 3.863 1.00 33.21 H new ATOM 0 HB2 ARG A 683 -14.052 -7.106 6.831 1.00 33.34 H new ATOM 0 HB3 ARG A 683 -14.660 -8.323 5.726 1.00 33.34 H new ATOM 0 HG2 ARG A 683 -12.508 -8.190 4.458 1.00 73.41 H new ATOM 0 HG3 ARG A 683 -11.907 -7.059 5.654 1.00 73.41 H new ATOM 0 HD2 ARG A 683 -11.153 -9.322 6.182 1.00 23.11 H new ATOM 0 HD3 ARG A 683 -12.228 -8.734 7.435 1.00 23.11 H new ATOM 0 HE ARG A 683 -14.008 -10.073 5.877 1.00 14.02 H new ATOM 0 HH11 ARG A 683 -10.773 -10.978 6.969 1.00 1.12 H new ATOM 0 HH12 ARG A 683 -11.140 -12.706 7.005 1.00 1.12 H new ATOM 0 HH21 ARG A 683 -14.476 -12.299 5.916 1.00 53.13 H new ATOM 0 HH22 ARG A 683 -13.233 -13.453 6.409 1.00 53.13 H new ATOM 1582 N ILE A 684 -16.813 -6.727 4.387 1.00 12.21 N ATOM 1583 CA ILE A 684 -18.221 -6.572 4.547 1.00 40.13 C ATOM 1584 C ILE A 684 -18.707 -7.583 5.550 1.00 64.14 C ATOM 1585 O ILE A 684 -18.712 -8.791 5.293 1.00 75.53 O ATOM 1586 CB ILE A 684 -19.036 -6.699 3.206 1.00 75.20 C ATOM 1587 CG1 ILE A 684 -18.680 -5.617 2.189 1.00 62.13 C ATOM 1588 CG2 ILE A 684 -20.512 -6.665 3.442 1.00 33.23 C ATOM 1589 CD1 ILE A 684 -17.357 -5.784 1.555 1.00 72.41 C ATOM 0 H ILE A 684 -16.540 -7.352 3.628 1.00 12.21 H new ATOM 0 HA ILE A 684 -18.395 -5.555 4.898 1.00 40.13 H new ATOM 0 HB ILE A 684 -18.754 -7.669 2.796 1.00 75.20 H new ATOM 0 HG12 ILE A 684 -19.443 -5.603 1.410 1.00 62.13 H new ATOM 0 HG13 ILE A 684 -18.712 -4.646 2.684 1.00 62.13 H new ATOM 0 HG21 ILE A 684 -21.035 -6.756 2.490 1.00 33.23 H new ATOM 0 HG22 ILE A 684 -20.796 -7.493 4.092 1.00 33.23 H new ATOM 0 HG23 ILE A 684 -20.783 -5.722 3.916 1.00 33.23 H new ATOM 0 HD11 ILE A 684 -17.187 -4.972 0.848 1.00 72.41 H new ATOM 0 HD12 ILE A 684 -16.582 -5.766 2.321 1.00 72.41 H new ATOM 0 HD13 ILE A 684 -17.324 -6.737 1.028 1.00 72.41 H new ATOM 1601 N SER A 685 -19.036 -7.095 6.694 1.00 31.04 N ATOM 1602 CA SER A 685 -19.554 -7.891 7.745 1.00 53.15 C ATOM 1603 C SER A 685 -20.789 -7.198 8.282 1.00 34.04 C ATOM 1604 O SER A 685 -21.911 -7.685 8.091 1.00 32.01 O ATOM 1605 CB SER A 685 -18.485 -8.082 8.847 1.00 30.45 C ATOM 1606 OG SER A 685 -18.958 -8.907 9.903 1.00 71.12 O ATOM 0 H SER A 685 -18.949 -6.106 6.929 1.00 31.04 H new ATOM 0 HA SER A 685 -19.821 -8.884 7.385 1.00 53.15 H new ATOM 0 HB2 SER A 685 -17.590 -8.526 8.412 1.00 30.45 H new ATOM 0 HB3 SER A 685 -18.197 -7.110 9.246 1.00 30.45 H new ATOM 0 HG SER A 685 -18.256 -9.007 10.580 1.00 71.12 H new ATOM 1612 N ARG A 686 -20.577 -6.011 8.899 1.00 52.34 N ATOM 1613 CA ARG A 686 -21.652 -5.193 9.486 1.00 61.14 C ATOM 1614 C ARG A 686 -22.399 -5.974 10.579 1.00 64.44 C ATOM 1615 O ARG A 686 -22.020 -7.108 10.907 1.00 63.03 O ATOM 1616 CB ARG A 686 -22.631 -4.713 8.392 1.00 23.24 C ATOM 1617 CG ARG A 686 -21.978 -3.873 7.294 1.00 12.22 C ATOM 1618 CD ARG A 686 -22.980 -3.497 6.214 1.00 64.12 C ATOM 1619 NE ARG A 686 -22.362 -2.721 5.121 1.00 44.22 N ATOM 1620 CZ ARG A 686 -22.891 -2.564 3.890 1.00 13.43 C ATOM 1621 NH1 ARG A 686 -24.056 -3.131 3.578 1.00 72.02 N ATOM 1622 NH2 ARG A 686 -22.246 -1.847 2.978 1.00 64.13 N ATOM 0 H ARG A 686 -19.650 -5.597 9.001 1.00 52.34 H new ATOM 0 HA ARG A 686 -21.198 -4.316 9.947 1.00 61.14 H new ATOM 0 HB2 ARG A 686 -23.104 -5.583 7.936 1.00 23.24 H new ATOM 0 HB3 ARG A 686 -23.423 -4.128 8.860 1.00 23.24 H new ATOM 0 HG2 ARG A 686 -21.554 -2.968 7.730 1.00 12.22 H new ATOM 0 HG3 ARG A 686 -21.153 -4.430 6.849 1.00 12.22 H new ATOM 0 HD2 ARG A 686 -23.427 -4.403 5.805 1.00 64.12 H new ATOM 0 HD3 ARG A 686 -23.788 -2.915 6.658 1.00 64.12 H new ATOM 0 HE ARG A 686 -21.467 -2.269 5.311 1.00 44.22 H new ATOM 0 HH11 ARG A 686 -24.554 -3.688 4.272 1.00 72.02 H new ATOM 0 HH12 ARG A 686 -24.450 -3.008 2.645 1.00 72.02 H new ATOM 0 HH21 ARG A 686 -21.351 -1.415 3.208 1.00 64.13 H new ATOM 0 HH22 ARG A 686 -22.645 -1.728 2.047 1.00 64.13 H new ATOM 1636 N CYS A 687 -23.418 -5.344 11.171 1.00 61.13 N ATOM 1637 CA CYS A 687 -24.306 -5.968 12.187 1.00 55.31 C ATOM 1638 C CYS A 687 -23.602 -6.272 13.528 1.00 43.41 C ATOM 1639 O CYS A 687 -24.060 -5.843 14.583 1.00 32.11 O ATOM 1640 CB CYS A 687 -24.990 -7.226 11.624 1.00 74.51 C ATOM 1641 SG CYS A 687 -25.947 -6.928 10.117 1.00 50.13 S ATOM 0 H CYS A 687 -23.662 -4.375 10.964 1.00 61.13 H new ATOM 0 HA CYS A 687 -25.068 -5.223 12.414 1.00 55.31 H new ATOM 0 HB2 CYS A 687 -24.230 -7.979 11.417 1.00 74.51 H new ATOM 0 HB3 CYS A 687 -25.650 -7.641 12.386 1.00 74.51 H new ATOM 0 HG CYS A 687 -26.483 -8.042 9.716 1.00 50.13 H new ATOM 1647 N ASN A 688 -22.515 -7.000 13.473 1.00 30.22 N ATOM 1648 CA ASN A 688 -21.766 -7.382 14.654 1.00 74.14 C ATOM 1649 C ASN A 688 -20.951 -6.220 15.174 1.00 61.23 C ATOM 1650 O ASN A 688 -21.175 -5.743 16.294 1.00 20.22 O ATOM 1651 CB ASN A 688 -20.854 -8.587 14.356 1.00 42.50 C ATOM 1652 CG ASN A 688 -21.626 -9.847 14.022 1.00 14.44 C ATOM 1653 OD1 ASN A 688 -22.723 -10.066 14.523 1.00 62.52 O ATOM 1654 ND2 ASN A 688 -21.067 -10.676 13.182 1.00 34.25 N ATOM 0 H ASN A 688 -22.118 -7.350 12.601 1.00 30.22 H new ATOM 0 HA ASN A 688 -22.480 -7.672 15.425 1.00 74.14 H new ATOM 0 HB2 ASN A 688 -20.196 -8.340 13.523 1.00 42.50 H new ATOM 0 HB3 ASN A 688 -20.218 -8.776 15.220 1.00 42.50 H new ATOM 0 HD21 ASN A 688 -21.545 -11.539 12.923 1.00 34.25 H new ATOM 0 HD22 ASN A 688 -20.153 -10.460 12.785 1.00 34.25 H new ATOM 1661 N GLU A 689 -20.019 -5.751 14.378 1.00 73.05 N ATOM 1662 CA GLU A 689 -19.169 -4.644 14.774 1.00 22.15 C ATOM 1663 C GLU A 689 -18.684 -3.951 13.513 1.00 5.51 C ATOM 1664 O GLU A 689 -18.906 -4.464 12.397 1.00 24.32 O ATOM 1665 CB GLU A 689 -17.982 -5.186 15.616 1.00 53.55 C ATOM 1666 CG GLU A 689 -17.137 -4.142 16.371 1.00 15.41 C ATOM 1667 CD GLU A 689 -16.363 -3.182 15.499 1.00 54.24 C ATOM 1668 OE1 GLU A 689 -15.216 -3.503 15.118 1.00 61.14 O ATOM 1669 OE2 GLU A 689 -16.882 -2.087 15.203 1.00 60.30 O ATOM 0 H GLU A 689 -19.827 -6.119 13.446 1.00 73.05 H new ATOM 0 HA GLU A 689 -19.714 -3.927 15.388 1.00 22.15 H new ATOM 0 HB2 GLU A 689 -18.377 -5.895 16.344 1.00 53.55 H new ATOM 0 HB3 GLU A 689 -17.321 -5.744 14.953 1.00 53.55 H new ATOM 0 HG2 GLU A 689 -17.797 -3.566 17.020 1.00 15.41 H new ATOM 0 HG3 GLU A 689 -16.434 -4.667 17.017 1.00 15.41 H new TER 1676 GLU A 689 ATOM 1677 N MET B 769 3.211 -16.542 33.630 1.00 44.23 N ATOM 1678 CA MET B 769 3.492 -15.690 32.483 1.00 22.52 C ATOM 1679 C MET B 769 2.233 -15.465 31.655 1.00 64.53 C ATOM 1680 O MET B 769 1.575 -16.428 31.224 1.00 71.34 O ATOM 1681 CB MET B 769 4.585 -16.302 31.605 1.00 72.43 C ATOM 1682 CG MET B 769 5.927 -16.456 32.291 1.00 4.14 C ATOM 1683 SD MET B 769 7.166 -17.219 31.217 1.00 73.14 S ATOM 1684 CE MET B 769 8.595 -17.208 32.301 1.00 53.14 C ATOM 0 HA MET B 769 3.842 -14.729 32.861 1.00 22.52 H new ATOM 0 HB2 MET B 769 4.252 -17.281 31.261 1.00 72.43 H new ATOM 0 HB3 MET B 769 4.713 -15.680 30.719 1.00 72.43 H new ATOM 0 HG2 MET B 769 6.282 -15.477 32.613 1.00 4.14 H new ATOM 0 HG3 MET B 769 5.806 -17.062 33.189 1.00 4.14 H new ATOM 0 HE1 MET B 769 9.448 -17.648 31.784 1.00 53.14 H new ATOM 0 HE2 MET B 769 8.831 -16.181 32.581 1.00 53.14 H new ATOM 0 HE3 MET B 769 8.376 -17.788 33.198 1.00 53.14 H new ATOM 1694 N LEU B 770 1.873 -14.215 31.474 1.00 24.02 N ATOM 1695 CA LEU B 770 0.721 -13.848 30.667 1.00 45.14 C ATOM 1696 C LEU B 770 1.139 -12.921 29.539 1.00 72.24 C ATOM 1697 O LEU B 770 1.620 -11.808 29.779 1.00 71.01 O ATOM 1698 CB LEU B 770 -0.415 -13.187 31.496 1.00 4.34 C ATOM 1699 CG LEU B 770 -1.191 -14.055 32.526 1.00 61.43 C ATOM 1700 CD1 LEU B 770 -0.329 -14.504 33.700 1.00 21.34 C ATOM 1701 CD2 LEU B 770 -2.414 -13.314 33.018 1.00 74.12 C ATOM 0 H LEU B 770 2.367 -13.421 31.880 1.00 24.02 H new ATOM 0 HA LEU B 770 0.322 -14.776 30.257 1.00 45.14 H new ATOM 0 HB2 LEU B 770 0.017 -12.343 32.034 1.00 4.34 H new ATOM 0 HB3 LEU B 770 -1.142 -12.779 30.794 1.00 4.34 H new ATOM 0 HG LEU B 770 -1.499 -14.962 32.005 1.00 61.43 H new ATOM 0 HD11 LEU B 770 -0.929 -15.106 34.383 1.00 21.34 H new ATOM 0 HD12 LEU B 770 0.507 -15.098 33.331 1.00 21.34 H new ATOM 0 HD13 LEU B 770 0.052 -13.629 34.227 1.00 21.34 H new ATOM 0 HD21 LEU B 770 -2.949 -13.933 33.739 1.00 74.12 H new ATOM 0 HD22 LEU B 770 -2.108 -12.383 33.495 1.00 74.12 H new ATOM 0 HD23 LEU B 770 -3.068 -13.091 32.175 1.00 74.12 H new ATOM 1713 N ALA B 771 0.979 -13.382 28.324 1.00 32.22 N ATOM 1714 CA ALA B 771 1.323 -12.603 27.151 1.00 31.40 C ATOM 1715 C ALA B 771 0.069 -12.090 26.452 1.00 73.32 C ATOM 1716 O ALA B 771 0.124 -11.075 25.738 1.00 24.11 O ATOM 1717 CB ALA B 771 2.163 -13.431 26.192 1.00 61.44 C ATOM 0 H ALA B 771 0.607 -14.308 28.115 1.00 32.22 H new ATOM 0 HA ALA B 771 1.909 -11.742 27.474 1.00 31.40 H new ATOM 0 HB1 ALA B 771 2.413 -12.832 25.317 1.00 61.44 H new ATOM 0 HB2 ALA B 771 3.080 -13.746 26.690 1.00 61.44 H new ATOM 0 HB3 ALA B 771 1.599 -14.310 25.881 1.00 61.44 H new ATOM 1723 N GLU B 772 -1.058 -12.794 26.675 1.00 61.23 N ATOM 1724 CA GLU B 772 -2.371 -12.476 26.079 1.00 3.23 C ATOM 1725 C GLU B 772 -2.417 -12.800 24.561 1.00 42.33 C ATOM 1726 O GLU B 772 -1.376 -12.861 23.893 1.00 23.10 O ATOM 1727 CB GLU B 772 -2.821 -11.010 26.392 1.00 35.43 C ATOM 1728 CG GLU B 772 -4.159 -10.614 25.772 1.00 12.21 C ATOM 1729 CD GLU B 772 -4.615 -9.234 26.138 1.00 2.51 C ATOM 1730 OE1 GLU B 772 -4.020 -8.240 25.640 1.00 4.51 O ATOM 1731 OE2 GLU B 772 -5.603 -9.117 26.897 1.00 1.31 O ATOM 0 H GLU B 772 -1.082 -13.612 27.284 1.00 61.23 H new ATOM 0 HA GLU B 772 -3.101 -13.130 26.556 1.00 3.23 H new ATOM 0 HB2 GLU B 772 -2.884 -10.886 27.473 1.00 35.43 H new ATOM 0 HB3 GLU B 772 -2.053 -10.323 26.037 1.00 35.43 H new ATOM 0 HG2 GLU B 772 -4.080 -10.684 24.687 1.00 12.21 H new ATOM 0 HG3 GLU B 772 -4.919 -11.331 26.083 1.00 12.21 H new ATOM 1738 N LEU B 773 -3.638 -13.034 24.054 1.00 55.22 N ATOM 1739 CA LEU B 773 -3.917 -13.356 22.656 1.00 52.14 C ATOM 1740 C LEU B 773 -3.528 -14.790 22.321 1.00 60.42 C ATOM 1741 O LEU B 773 -3.181 -15.579 23.207 1.00 14.32 O ATOM 1742 CB LEU B 773 -3.273 -12.347 21.677 1.00 1.15 C ATOM 1743 CG LEU B 773 -3.756 -10.889 21.764 1.00 40.02 C ATOM 1744 CD1 LEU B 773 -3.018 -10.022 20.755 1.00 62.32 C ATOM 1745 CD2 LEU B 773 -5.261 -10.801 21.542 1.00 12.54 C ATOM 0 H LEU B 773 -4.480 -13.002 24.628 1.00 55.22 H new ATOM 0 HA LEU B 773 -4.996 -13.270 22.527 1.00 52.14 H new ATOM 0 HB2 LEU B 773 -2.195 -12.358 21.839 1.00 1.15 H new ATOM 0 HB3 LEU B 773 -3.446 -12.702 20.661 1.00 1.15 H new ATOM 0 HG LEU B 773 -3.538 -10.519 22.766 1.00 40.02 H new ATOM 0 HD11 LEU B 773 -3.372 -8.994 20.831 1.00 62.32 H new ATOM 0 HD12 LEU B 773 -1.948 -10.053 20.962 1.00 62.32 H new ATOM 0 HD13 LEU B 773 -3.204 -10.397 19.748 1.00 62.32 H new ATOM 0 HD21 LEU B 773 -5.578 -9.760 21.608 1.00 12.54 H new ATOM 0 HD22 LEU B 773 -5.507 -11.193 20.555 1.00 12.54 H new ATOM 0 HD23 LEU B 773 -5.776 -11.387 22.304 1.00 12.54 H new ATOM 1757 N TYR B 774 -3.603 -15.124 21.058 1.00 52.52 N ATOM 1758 CA TYR B 774 -3.316 -16.454 20.601 1.00 32.34 C ATOM 1759 C TYR B 774 -1.914 -16.522 20.068 1.00 53.11 C ATOM 1760 O TYR B 774 -1.230 -17.535 20.176 1.00 65.03 O ATOM 1761 CB TYR B 774 -4.338 -16.895 19.547 1.00 11.51 C ATOM 1762 CG TYR B 774 -4.465 -15.973 18.369 1.00 75.35 C ATOM 1763 CD1 TYR B 774 -5.279 -14.869 18.445 1.00 54.01 C ATOM 1764 CD2 TYR B 774 -3.781 -16.213 17.192 1.00 12.24 C ATOM 1765 CE1 TYR B 774 -5.418 -14.008 17.376 1.00 31.13 C ATOM 1766 CE2 TYR B 774 -3.904 -15.363 16.111 1.00 51.41 C ATOM 1767 CZ TYR B 774 -4.728 -14.258 16.208 1.00 52.13 C ATOM 1768 OH TYR B 774 -4.855 -13.399 15.140 1.00 2.32 O ATOM 0 H TYR B 774 -3.867 -14.475 20.316 1.00 52.52 H new ATOM 0 HA TYR B 774 -3.394 -17.143 21.442 1.00 32.34 H new ATOM 0 HB2 TYR B 774 -4.063 -17.886 19.187 1.00 11.51 H new ATOM 0 HB3 TYR B 774 -5.314 -16.989 20.024 1.00 11.51 H new ATOM 0 HD1 TYR B 774 -5.820 -14.671 19.359 1.00 54.01 H new ATOM 0 HD2 TYR B 774 -3.140 -17.079 17.117 1.00 12.24 H new ATOM 0 HE1 TYR B 774 -6.062 -13.145 17.453 1.00 31.13 H new ATOM 0 HE2 TYR B 774 -3.361 -15.560 15.198 1.00 51.41 H new ATOM 0 HH TYR B 774 -4.303 -13.718 14.396 1.00 2.32 H new ATOM 1778 N GLY B 775 -1.485 -15.430 19.507 1.00 60.15 N ATOM 1779 CA GLY B 775 -0.185 -15.355 18.977 1.00 3.32 C ATOM 1780 C GLY B 775 -0.188 -14.730 17.617 1.00 45.13 C ATOM 1781 O GLY B 775 -0.301 -15.413 16.604 1.00 70.35 O ATOM 0 H GLY B 775 -2.036 -14.577 19.411 1.00 60.15 H new ATOM 0 HA2 GLY B 775 0.450 -14.773 19.646 1.00 3.32 H new ATOM 0 HA3 GLY B 775 0.245 -16.355 18.919 1.00 3.32 H new ATOM 1785 N SER B 776 -0.107 -13.451 17.606 1.00 31.54 N ATOM 1786 CA SER B 776 -0.064 -12.672 16.435 1.00 3.41 C ATOM 1787 C SER B 776 0.714 -11.439 16.794 1.00 24.24 C ATOM 1788 O SER B 776 0.756 -11.069 17.972 1.00 43.33 O ATOM 1789 CB SER B 776 -1.494 -12.339 15.975 1.00 41.51 C ATOM 1790 OG SER B 776 -2.258 -11.774 17.032 1.00 22.41 O ATOM 0 H SER B 776 -0.067 -12.895 18.460 1.00 31.54 H new ATOM 0 HA SER B 776 0.411 -13.193 15.604 1.00 3.41 H new ATOM 0 HB2 SER B 776 -1.456 -11.642 15.138 1.00 41.51 H new ATOM 0 HB3 SER B 776 -1.982 -13.244 15.614 1.00 41.51 H new ATOM 0 HG SER B 776 -3.115 -12.244 17.104 1.00 22.41 H new ATOM 1796 N ASP B 777 1.377 -10.853 15.858 1.00 41.32 N ATOM 1797 CA ASP B 777 2.158 -9.670 16.152 1.00 71.32 C ATOM 1798 C ASP B 777 1.577 -8.440 15.511 1.00 23.02 C ATOM 1799 O ASP B 777 1.747 -8.224 14.314 1.00 33.32 O ATOM 1800 CB ASP B 777 3.638 -9.828 15.764 1.00 14.02 C ATOM 1801 CG ASP B 777 4.356 -10.886 16.571 1.00 13.11 C ATOM 1802 OD1 ASP B 777 4.870 -10.571 17.662 1.00 3.25 O ATOM 1803 OD2 ASP B 777 4.412 -12.053 16.127 1.00 72.51 O ATOM 0 H ASP B 777 1.404 -11.159 14.885 1.00 41.32 H new ATOM 0 HA ASP B 777 2.113 -9.545 17.234 1.00 71.32 H new ATOM 0 HB2 ASP B 777 3.704 -10.080 14.706 1.00 14.02 H new ATOM 0 HB3 ASP B 777 4.146 -8.873 15.896 1.00 14.02 H new ATOM 1808 N PRO B 778 0.819 -7.653 16.277 1.00 32.33 N ATOM 1809 CA PRO B 778 0.305 -6.364 15.852 1.00 24.41 C ATOM 1810 C PRO B 778 1.095 -5.232 16.524 1.00 62.35 C ATOM 1811 O PRO B 778 0.641 -4.097 16.615 1.00 31.45 O ATOM 1812 CB PRO B 778 -1.103 -6.418 16.425 1.00 25.22 C ATOM 1813 CG PRO B 778 -0.934 -7.129 17.745 1.00 53.31 C ATOM 1814 CD PRO B 778 0.319 -7.983 17.627 1.00 22.25 C ATOM 0 HA PRO B 778 0.360 -6.183 14.778 1.00 24.41 H new ATOM 0 HB2 PRO B 778 -1.517 -5.419 16.560 1.00 25.22 H new ATOM 0 HB3 PRO B 778 -1.782 -6.958 15.765 1.00 25.22 H new ATOM 0 HG2 PRO B 778 -0.838 -6.412 18.561 1.00 53.31 H new ATOM 0 HG3 PRO B 778 -1.804 -7.748 17.965 1.00 53.31 H new ATOM 0 HD2 PRO B 778 1.049 -7.738 18.399 1.00 22.25 H new ATOM 0 HD3 PRO B 778 0.095 -9.045 17.726 1.00 22.25 H new ATOM 1822 N GLN B 779 2.296 -5.573 16.975 1.00 64.34 N ATOM 1823 CA GLN B 779 3.118 -4.684 17.765 1.00 74.01 C ATOM 1824 C GLN B 779 3.672 -3.510 16.957 1.00 63.00 C ATOM 1825 O GLN B 779 3.891 -2.421 17.508 1.00 32.44 O ATOM 1826 CB GLN B 779 4.254 -5.462 18.432 1.00 31.42 C ATOM 1827 CG GLN B 779 5.116 -4.618 19.358 1.00 42.34 C ATOM 1828 CD GLN B 779 6.263 -5.383 19.981 1.00 52.21 C ATOM 1829 OE1 GLN B 779 6.088 -6.655 20.201 1.00 13.43 O flip ATOM 1830 NE2 GLN B 779 7.311 -4.812 20.265 1.00 25.34 N flip ATOM 0 H GLN B 779 2.724 -6.482 16.798 1.00 64.34 H new ATOM 0 HA GLN B 779 2.473 -4.256 18.533 1.00 74.01 H new ATOM 0 HB2 GLN B 779 3.830 -6.290 19.000 1.00 31.42 H new ATOM 0 HB3 GLN B 779 4.887 -5.897 17.658 1.00 31.42 H new ATOM 0 HG2 GLN B 779 5.516 -3.772 18.798 1.00 42.34 H new ATOM 0 HG3 GLN B 779 4.490 -4.209 20.151 1.00 42.34 H new ATOM 0 HE21 GLN B 779 7.415 -3.814 20.079 1.00 25.34 H new ATOM 0 HE22 GLN B 779 8.079 -5.335 20.687 1.00 25.34 H new ATOM 1839 N GLU B 780 3.903 -3.709 15.679 1.00 51.41 N ATOM 1840 CA GLU B 780 4.442 -2.640 14.869 1.00 52.15 C ATOM 1841 C GLU B 780 3.364 -1.636 14.496 1.00 61.21 C ATOM 1842 O GLU B 780 2.456 -1.949 13.744 1.00 15.04 O ATOM 1843 CB GLU B 780 5.186 -3.151 13.625 1.00 24.43 C ATOM 1844 CG GLU B 780 6.413 -3.992 13.939 1.00 31.13 C ATOM 1845 CD GLU B 780 7.249 -4.295 12.711 1.00 13.11 C ATOM 1846 OE1 GLU B 780 8.022 -3.414 12.301 1.00 12.54 O ATOM 1847 OE2 GLU B 780 7.183 -5.429 12.172 1.00 5.32 O ATOM 0 H GLU B 780 3.730 -4.584 15.185 1.00 51.41 H new ATOM 0 HA GLU B 780 5.184 -2.130 15.483 1.00 52.15 H new ATOM 0 HB2 GLU B 780 4.498 -3.742 13.021 1.00 24.43 H new ATOM 0 HB3 GLU B 780 5.489 -2.297 13.019 1.00 24.43 H new ATOM 0 HG2 GLU B 780 7.028 -3.469 14.671 1.00 31.13 H new ATOM 0 HG3 GLU B 780 6.098 -4.929 14.398 1.00 31.13 H new ATOM 1854 N GLU B 781 3.490 -0.436 15.028 1.00 54.04 N ATOM 1855 CA GLU B 781 2.556 0.659 14.787 1.00 32.44 C ATOM 1856 C GLU B 781 3.253 1.785 14.069 1.00 44.14 C ATOM 1857 O GLU B 781 4.474 1.953 14.197 1.00 35.25 O ATOM 1858 CB GLU B 781 2.003 1.167 16.109 1.00 32.20 C ATOM 1859 CG GLU B 781 1.100 0.180 16.807 1.00 71.30 C ATOM 1860 CD GLU B 781 0.865 0.507 18.243 1.00 1.43 C ATOM 1861 OE1 GLU B 781 1.846 0.743 18.977 1.00 34.22 O ATOM 1862 OE2 GLU B 781 -0.280 0.559 18.663 1.00 52.32 O ATOM 0 H GLU B 781 4.257 -0.185 15.652 1.00 54.04 H new ATOM 0 HA GLU B 781 1.737 0.292 14.169 1.00 32.44 H new ATOM 0 HB2 GLU B 781 2.834 1.416 16.769 1.00 32.20 H new ATOM 0 HB3 GLU B 781 1.450 2.089 15.931 1.00 32.20 H new ATOM 0 HG2 GLU B 781 0.142 0.145 16.288 1.00 71.30 H new ATOM 0 HG3 GLU B 781 1.538 -0.816 16.735 1.00 71.30 H new ATOM 1869 N LEU B 782 2.502 2.544 13.313 1.00 43.55 N ATOM 1870 CA LEU B 782 3.029 3.650 12.594 1.00 74.11 C ATOM 1871 C LEU B 782 1.930 4.719 12.519 1.00 20.42 C ATOM 1872 O LEU B 782 0.776 4.401 12.280 1.00 71.05 O ATOM 1873 CB LEU B 782 3.407 3.153 11.185 1.00 70.24 C ATOM 1874 CG LEU B 782 4.499 3.904 10.431 1.00 15.05 C ATOM 1875 CD1 LEU B 782 4.124 5.336 10.151 1.00 35.42 C ATOM 1876 CD2 LEU B 782 5.794 3.805 11.206 1.00 73.13 C ATOM 0 H LEU B 782 1.500 2.401 13.185 1.00 43.55 H new ATOM 0 HA LEU B 782 3.911 4.074 13.073 1.00 74.11 H new ATOM 0 HB2 LEU B 782 3.716 2.111 11.270 1.00 70.24 H new ATOM 0 HB3 LEU B 782 2.506 3.170 10.572 1.00 70.24 H new ATOM 0 HG LEU B 782 4.628 3.437 9.455 1.00 15.05 H new ATOM 0 HD11 LEU B 782 4.935 5.826 9.613 1.00 35.42 H new ATOM 0 HD12 LEU B 782 3.218 5.363 9.545 1.00 35.42 H new ATOM 0 HD13 LEU B 782 3.947 5.856 11.092 1.00 35.42 H new ATOM 0 HD21 LEU B 782 6.579 4.340 10.672 1.00 73.13 H new ATOM 0 HD22 LEU B 782 5.661 4.246 12.194 1.00 73.13 H new ATOM 0 HD23 LEU B 782 6.076 2.757 11.311 1.00 73.13 H new ATOM 1888 N ILE B 783 2.268 5.948 12.766 1.00 73.24 N ATOM 1889 CA ILE B 783 1.294 7.034 12.642 1.00 11.15 C ATOM 1890 C ILE B 783 1.588 7.805 11.371 1.00 51.02 C ATOM 1891 O ILE B 783 2.738 8.203 11.138 1.00 12.30 O ATOM 1892 CB ILE B 783 1.280 8.042 13.862 1.00 62.14 C ATOM 1893 CG1 ILE B 783 0.941 7.353 15.207 1.00 42.42 C ATOM 1894 CG2 ILE B 783 0.296 9.202 13.612 1.00 25.13 C ATOM 1895 CD1 ILE B 783 2.013 6.421 15.752 1.00 71.40 C ATOM 0 H ILE B 783 3.201 6.241 13.054 1.00 73.24 H new ATOM 0 HA ILE B 783 0.310 6.566 12.623 1.00 11.15 H new ATOM 0 HB ILE B 783 2.294 8.435 13.939 1.00 62.14 H new ATOM 0 HG12 ILE B 783 0.742 8.125 15.951 1.00 42.42 H new ATOM 0 HG13 ILE B 783 0.019 6.785 15.082 1.00 42.42 H new ATOM 0 HG21 ILE B 783 0.307 9.879 14.466 1.00 25.13 H new ATOM 0 HG22 ILE B 783 0.594 9.745 12.715 1.00 25.13 H new ATOM 0 HG23 ILE B 783 -0.710 8.804 13.478 1.00 25.13 H new ATOM 0 HD11 ILE B 783 1.676 5.991 16.695 1.00 71.40 H new ATOM 0 HD12 ILE B 783 2.199 5.621 15.035 1.00 71.40 H new ATOM 0 HD13 ILE B 783 2.933 6.982 15.917 1.00 71.40 H new ATOM 1907 N ILE B 784 0.588 8.017 10.557 1.00 3.54 N ATOM 1908 CA ILE B 784 0.773 8.719 9.333 1.00 34.13 C ATOM 1909 C ILE B 784 0.100 10.083 9.372 1.00 40.30 C ATOM 1910 O ILE B 784 0.801 11.064 9.663 1.00 37.63 O ATOM 1911 CB ILE B 784 0.380 7.889 8.077 1.00 72.30 C ATOM 1912 CG1 ILE B 784 -1.023 7.289 8.194 1.00 12.53 C ATOM 1913 CG2 ILE B 784 1.420 6.790 7.805 1.00 2.13 C ATOM 1914 CD1 ILE B 784 -1.504 6.634 6.921 1.00 71.25 C ATOM 1915 OXT ILE B 784 -1.113 10.189 9.136 1.00 37.63 O ATOM 0 H ILE B 784 -0.368 7.707 10.730 1.00 3.54 H new ATOM 0 HA ILE B 784 1.845 8.888 9.231 1.00 34.13 H new ATOM 0 HB ILE B 784 0.365 8.576 7.231 1.00 72.30 H new ATOM 0 HG12 ILE B 784 -1.029 6.552 8.997 1.00 12.53 H new ATOM 0 HG13 ILE B 784 -1.724 8.075 8.477 1.00 12.53 H new ATOM 0 HG21 ILE B 784 1.126 6.221 6.923 1.00 2.13 H new ATOM 0 HG22 ILE B 784 2.395 7.246 7.635 1.00 2.13 H new ATOM 0 HG23 ILE B 784 1.477 6.122 8.665 1.00 2.13 H new ATOM 0 HD11 ILE B 784 -2.505 6.230 7.075 1.00 71.25 H new ATOM 0 HD12 ILE B 784 -1.530 7.372 6.119 1.00 71.25 H new ATOM 0 HD13 ILE B 784 -0.825 5.826 6.648 1.00 71.25 H new TER 1927 ILE B 784