USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 872 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 60 SER OG : rot -150:sc= 0.927 USER MOD Set 1.2: A 149 HIS : no HE2:sc= 0.41 K(o=1.3,f=-13!) USER MOD Set 2.1: A 131 LYS NZ :NH3+ -170:sc= 1.31 (180deg=0) USER MOD Set 2.2: A 133 GLN : amide:sc= 0.278 K(o=1.6,f=-6.7!) USER MOD Set 3.1: A 116 ASN : amide:sc= -0.722 K(o=-1.4,f=-1.9) USER MOD Set 3.2: A 117 GLN : amide:sc= -0.689 K(o=-1.4,f=-1.9) USER MOD Set 4.1: A 86 LYS NZ :NH3+ 172:sc= 1.62 (180deg=0) USER MOD Set 4.2: A 87 SER OG : rot -11:sc= 0.244 USER MOD Set 4.3: A 115 TYR OH : rot 43:sc= 2.27 USER MOD Set 4.4: A 143 THR OG1 : rot 140:sc= 1.94 USER MOD Set 4.5: A 145 ASN : amide:sc= 1.16 K(o=7.2,f=-3.8!) USER MOD Set 5.1: A 53 TYR OH : rot -156:sc= 1.28 USER MOD Set 5.2: A 106 HIS : no HE2:sc= -0.521 K(o=0.76,f=-7.3!) USER MOD Single : A 39 HIS : no HE2:sc= -0.886 K(o=-0.89,f=-7.1!) USER MOD Single : A 40 THR OG1 : rot 60:sc= -0.026 USER MOD Single : A 41 SER OG : rot 180:sc= 0.03 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 2.3 (180deg=1.52) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0.25 (180deg=0.23) USER MOD Single : A 68 THR OG1 : rot 92:sc= 1.09 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -0.878 (180deg=-0.878) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.738 F(o=-5.2!,f=-0.74) USER MOD Single : A 79 ASN : amide:sc= 0.0681 K(o=0.068,f=-4.9!) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 2.43 (180deg=2.37) USER MOD Single : A 84 HIS : no HE2:sc= -2.23 K(o=-2.2,f=-4.6!) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.191 F(o=-1.2,f=-0.19) USER MOD Single : A 100 LYS NZ :NH3+ 137:sc=-0.00928 (180deg=-5.35!) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.18) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 2:sc= 0.604 USER MOD Single : A 120 LYS NZ :NH3+ 179:sc= 0.951 (180deg=0.891) USER MOD Single : A 122 SER OG : rot 137:sc= 1.36 USER MOD Single : A 123 TYR OH : rot 175:sc= 1.26 USER MOD Single : A 124 SER OG : rot 36:sc= 1.1 USER MOD Single : A 138 SER OG : rot -4:sc= 0.579 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -176:sc= -0.317 (180deg=-0.66) USER MOD Single : A 156 GLN : amide:sc= 0.764! C(o=0.76!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -7.923 -13.943 -4.968 1.00 2.46 N ATOM 561 CA GLY A 37 -8.562 -12.656 -5.207 1.00 1.96 C ATOM 562 C GLY A 37 -10.090 -12.747 -5.205 1.00 1.57 C ATOM 563 O GLY A 37 -10.755 -11.971 -4.514 1.00 1.82 O ATOM 0 HA2 GLY A 37 -8.243 -11.949 -4.441 1.00 1.96 H new ATOM 0 HA3 GLY A 37 -8.227 -12.261 -6.166 1.00 1.96 H new ATOM 567 N GLU A 38 -10.660 -13.680 -5.975 1.00 1.93 N ATOM 568 CA GLU A 38 -12.076 -14.006 -5.937 1.00 1.79 C ATOM 569 C GLU A 38 -12.925 -12.784 -6.323 1.00 1.48 C ATOM 570 O GLU A 38 -13.148 -12.513 -7.505 1.00 1.44 O ATOM 571 CB GLU A 38 -12.398 -14.599 -4.548 1.00 2.25 C ATOM 572 CG GLU A 38 -13.867 -14.981 -4.303 1.00 2.24 C ATOM 573 CD GLU A 38 -14.215 -14.816 -2.829 1.00 3.06 C ATOM 574 OE1 GLU A 38 -14.144 -13.654 -2.367 1.00 4.24 O ATOM 575 OE2 GLU A 38 -14.527 -15.845 -2.194 1.00 3.42 O ATOM 0 H GLU A 38 -10.135 -14.235 -6.651 1.00 1.93 H new ATOM 0 HA GLU A 38 -12.330 -14.763 -6.679 1.00 1.79 H new ATOM 0 HB2 GLU A 38 -11.783 -15.487 -4.403 1.00 2.25 H new ATOM 0 HB3 GLU A 38 -12.099 -13.877 -3.788 1.00 2.25 H new ATOM 0 HG2 GLU A 38 -14.520 -14.354 -4.911 1.00 2.24 H new ATOM 0 HG3 GLU A 38 -14.038 -16.012 -4.611 1.00 2.24 H new ATOM 582 N HIS A 39 -13.415 -12.056 -5.317 1.00 1.48 N ATOM 583 CA HIS A 39 -14.414 -11.015 -5.432 1.00 1.53 C ATOM 584 C HIS A 39 -13.820 -9.798 -6.136 1.00 1.30 C ATOM 585 O HIS A 39 -14.509 -9.106 -6.881 1.00 1.51 O ATOM 586 CB HIS A 39 -14.927 -10.681 -4.028 1.00 1.90 C ATOM 587 CG HIS A 39 -13.820 -10.313 -3.076 1.00 2.89 C ATOM 588 ND1 HIS A 39 -13.090 -11.184 -2.299 1.00 4.11 N ATOM 589 CD2 HIS A 39 -13.249 -9.080 -2.968 1.00 4.30 C ATOM 590 CE1 HIS A 39 -12.104 -10.471 -1.722 1.00 5.83 C ATOM 591 NE2 HIS A 39 -12.168 -9.177 -2.094 1.00 6.11 N ATOM 0 H HIS A 39 -13.104 -12.191 -4.355 1.00 1.48 H new ATOM 0 HA HIS A 39 -15.256 -11.350 -6.037 1.00 1.53 H new ATOM 0 HB2 HIS A 39 -15.635 -9.855 -4.092 1.00 1.90 H new ATOM 0 HB3 HIS A 39 -15.472 -11.538 -3.631 1.00 1.90 H new ATOM 0 HD1 HIS A 39 -13.263 -12.182 -2.182 1.00 4.11 H new ATOM 0 HD2 HIS A 39 -13.577 -8.183 -3.472 1.00 4.30 H new ATOM 0 HE1 HIS A 39 -11.362 -10.880 -1.052 1.00 5.83 H new ATOM 599 N THR A 40 -12.537 -9.524 -5.896 1.00 1.15 N ATOM 600 CA THR A 40 -11.861 -8.425 -6.562 1.00 1.30 C ATOM 601 C THR A 40 -11.676 -8.777 -8.034 1.00 1.22 C ATOM 602 O THR A 40 -12.008 -7.996 -8.924 1.00 1.59 O ATOM 603 CB THR A 40 -10.564 -8.081 -5.815 1.00 1.54 C ATOM 604 OG1 THR A 40 -10.051 -6.838 -6.254 1.00 2.92 O ATOM 605 CG2 THR A 40 -9.459 -9.130 -5.911 1.00 2.08 C ATOM 0 H THR A 40 -11.952 -10.050 -5.246 1.00 1.15 H new ATOM 0 HA THR A 40 -12.458 -7.513 -6.538 1.00 1.30 H new ATOM 0 HB THR A 40 -10.859 -8.041 -4.766 1.00 1.54 H new ATOM 0 HG1 THR A 40 -10.712 -6.134 -6.086 1.00 2.92 H new ATOM 0 HG21 THR A 40 -8.587 -8.792 -5.351 1.00 2.08 H new ATOM 0 HG22 THR A 40 -9.815 -10.073 -5.495 1.00 2.08 H new ATOM 0 HG23 THR A 40 -9.185 -9.275 -6.956 1.00 2.08 H new ATOM 613 N SER A 41 -11.157 -9.978 -8.275 1.00 0.94 N ATOM 614 CA SER A 41 -10.837 -10.466 -9.604 1.00 0.90 C ATOM 615 C SER A 41 -12.065 -10.497 -10.519 1.00 1.05 C ATOM 616 O SER A 41 -12.099 -9.821 -11.550 1.00 1.09 O ATOM 617 CB SER A 41 -10.223 -11.861 -9.490 1.00 0.99 C ATOM 618 OG SER A 41 -9.508 -12.012 -8.281 1.00 1.97 O ATOM 0 H SER A 41 -10.945 -10.648 -7.536 1.00 0.94 H new ATOM 0 HA SER A 41 -10.122 -9.779 -10.057 1.00 0.90 H new ATOM 0 HB2 SER A 41 -11.011 -12.612 -9.545 1.00 0.99 H new ATOM 0 HB3 SER A 41 -9.555 -12.036 -10.334 1.00 0.99 H new ATOM 0 HG SER A 41 -9.128 -12.914 -8.236 1.00 1.97 H new ATOM 624 N PHE A 42 -13.068 -11.307 -10.154 1.00 1.37 N ATOM 625 CA PHE A 42 -14.119 -11.702 -11.089 1.00 2.01 C ATOM 626 C PHE A 42 -14.881 -10.492 -11.635 1.00 2.07 C ATOM 627 O PHE A 42 -15.392 -10.538 -12.753 1.00 2.29 O ATOM 628 CB PHE A 42 -15.082 -12.725 -10.458 1.00 2.74 C ATOM 629 CG PHE A 42 -16.294 -12.109 -9.777 1.00 2.30 C ATOM 630 CD1 PHE A 42 -17.548 -12.133 -10.417 1.00 2.97 C ATOM 631 CD2 PHE A 42 -16.101 -11.266 -8.671 1.00 2.48 C ATOM 632 CE1 PHE A 42 -18.597 -11.321 -9.948 1.00 2.73 C ATOM 633 CE2 PHE A 42 -17.137 -10.431 -8.220 1.00 2.80 C ATOM 634 CZ PHE A 42 -18.391 -10.468 -8.851 1.00 2.38 C ATOM 0 H PHE A 42 -13.170 -11.699 -9.218 1.00 1.37 H new ATOM 0 HA PHE A 42 -13.627 -12.185 -11.933 1.00 2.01 H new ATOM 0 HB2 PHE A 42 -15.425 -13.409 -11.234 1.00 2.74 H new ATOM 0 HB3 PHE A 42 -14.533 -13.320 -9.728 1.00 2.74 H new ATOM 0 HD1 PHE A 42 -17.705 -12.776 -11.270 1.00 2.97 H new ATOM 0 HD2 PHE A 42 -15.148 -11.259 -8.163 1.00 2.48 H new ATOM 0 HE1 PHE A 42 -19.562 -11.354 -10.432 1.00 2.73 H new ATOM 0 HE2 PHE A 42 -16.969 -9.762 -7.389 1.00 2.80 H new ATOM 0 HZ PHE A 42 -19.195 -9.842 -8.494 1.00 2.38 H new ATOM 644 N ASP A 43 -14.977 -9.426 -10.831 1.00 2.04 N ATOM 645 CA ASP A 43 -15.814 -8.278 -11.120 1.00 2.38 C ATOM 646 C ASP A 43 -15.492 -7.692 -12.491 1.00 2.19 C ATOM 647 O ASP A 43 -16.418 -7.312 -13.207 1.00 2.72 O ATOM 648 CB ASP A 43 -15.671 -7.224 -10.016 1.00 2.60 C ATOM 649 CG ASP A 43 -16.644 -6.078 -10.236 1.00 3.12 C ATOM 650 OD1 ASP A 43 -17.839 -6.240 -9.907 1.00 4.06 O ATOM 651 OD2 ASP A 43 -16.219 -5.019 -10.740 1.00 3.21 O ATOM 0 H ASP A 43 -14.465 -9.345 -9.953 1.00 2.04 H new ATOM 0 HA ASP A 43 -16.853 -8.608 -11.144 1.00 2.38 H new ATOM 0 HB2 ASP A 43 -15.855 -7.682 -9.044 1.00 2.60 H new ATOM 0 HB3 ASP A 43 -14.650 -6.843 -10.001 1.00 2.60 H new ATOM 656 N LYS A 44 -14.197 -7.583 -12.829 1.00 1.56 N ATOM 657 CA LYS A 44 -13.685 -7.110 -14.119 1.00 1.46 C ATOM 658 C LYS A 44 -12.164 -6.911 -14.072 1.00 1.45 C ATOM 659 O LYS A 44 -11.668 -5.943 -14.648 1.00 1.73 O ATOM 660 CB LYS A 44 -14.384 -5.808 -14.580 1.00 1.60 C ATOM 661 CG LYS A 44 -14.341 -4.719 -13.494 1.00 2.47 C ATOM 662 CD LYS A 44 -15.208 -3.495 -13.827 1.00 2.82 C ATOM 663 CE LYS A 44 -16.695 -3.802 -14.075 1.00 3.01 C ATOM 664 NZ LYS A 44 -17.247 -4.761 -13.098 1.00 3.63 N ATOM 0 H LYS A 44 -13.450 -7.833 -12.182 1.00 1.56 H new ATOM 0 HA LYS A 44 -13.913 -7.885 -14.851 1.00 1.46 H new ATOM 0 HB2 LYS A 44 -13.902 -5.438 -15.485 1.00 1.60 H new ATOM 0 HB3 LYS A 44 -15.421 -6.024 -14.837 1.00 1.60 H new ATOM 0 HG2 LYS A 44 -14.675 -5.145 -12.548 1.00 2.47 H new ATOM 0 HG3 LYS A 44 -13.309 -4.397 -13.352 1.00 2.47 H new ATOM 0 HD2 LYS A 44 -15.131 -2.780 -13.008 1.00 2.82 H new ATOM 0 HD3 LYS A 44 -14.800 -3.009 -14.713 1.00 2.82 H new ATOM 0 HE2 LYS A 44 -17.266 -2.875 -14.031 1.00 3.01 H new ATOM 0 HE3 LYS A 44 -16.816 -4.203 -15.081 1.00 3.01 H new ATOM 0 HZ1 LYS A 44 -18.281 -4.659 -13.057 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 -17.006 -5.730 -13.389 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 -16.843 -4.571 -12.159 1.00 3.63 H new ATOM 678 N LEU A 45 -11.408 -7.783 -13.392 1.00 1.37 N ATOM 679 CA LEU A 45 -9.963 -7.626 -13.264 1.00 1.44 C ATOM 680 C LEU A 45 -9.264 -8.957 -13.585 1.00 1.45 C ATOM 681 O LEU A 45 -9.748 -10.008 -13.166 1.00 2.07 O ATOM 682 CB LEU A 45 -9.614 -7.111 -11.857 1.00 1.60 C ATOM 683 CG LEU A 45 -10.106 -5.680 -11.557 1.00 1.56 C ATOM 684 CD1 LEU A 45 -9.839 -5.342 -10.086 1.00 1.51 C ATOM 685 CD2 LEU A 45 -9.405 -4.620 -12.420 1.00 2.51 C ATOM 0 H LEU A 45 -11.781 -8.607 -12.921 1.00 1.37 H new ATOM 0 HA LEU A 45 -9.605 -6.886 -13.980 1.00 1.44 H new ATOM 0 HB2 LEU A 45 -10.041 -7.790 -11.119 1.00 1.60 H new ATOM 0 HB3 LEU A 45 -8.532 -7.143 -11.731 1.00 1.60 H new ATOM 0 HG LEU A 45 -11.172 -5.661 -11.785 1.00 1.56 H new ATOM 0 HD11 LEU A 45 -10.187 -4.331 -9.876 1.00 1.51 H new ATOM 0 HD12 LEU A 45 -10.370 -6.048 -9.448 1.00 1.51 H new ATOM 0 HD13 LEU A 45 -8.769 -5.406 -9.886 1.00 1.51 H new ATOM 0 HD21 LEU A 45 -9.790 -3.632 -12.167 1.00 2.51 H new ATOM 0 HD22 LEU A 45 -8.332 -4.650 -12.233 1.00 2.51 H new ATOM 0 HD23 LEU A 45 -9.595 -4.825 -13.474 1.00 2.51 H new ATOM 697 N PRO A 46 -8.153 -8.937 -14.344 1.00 1.14 N ATOM 698 CA PRO A 46 -7.423 -10.131 -14.752 1.00 1.28 C ATOM 699 C PRO A 46 -6.710 -10.782 -13.571 1.00 1.28 C ATOM 700 O PRO A 46 -6.484 -10.115 -12.567 1.00 1.49 O ATOM 701 CB PRO A 46 -6.362 -9.641 -15.743 1.00 1.68 C ATOM 702 CG PRO A 46 -6.134 -8.186 -15.347 1.00 1.78 C ATOM 703 CD PRO A 46 -7.519 -7.745 -14.881 1.00 1.42 C ATOM 0 HA PRO A 46 -8.106 -10.869 -15.174 1.00 1.28 H new ATOM 0 HB2 PRO A 46 -5.444 -10.224 -15.667 1.00 1.68 H new ATOM 0 HB3 PRO A 46 -6.708 -9.725 -16.773 1.00 1.68 H new ATOM 0 HG2 PRO A 46 -5.391 -8.094 -14.554 1.00 1.78 H new ATOM 0 HG3 PRO A 46 -5.780 -7.588 -16.187 1.00 1.78 H new ATOM 0 HD2 PRO A 46 -7.447 -6.965 -14.123 1.00 1.42 H new ATOM 0 HD3 PRO A 46 -8.097 -7.333 -15.708 1.00 1.42 H new ATOM 711 N GLU A 47 -6.213 -12.012 -13.742 1.00 1.89 N ATOM 712 CA GLU A 47 -5.162 -12.556 -12.879 1.00 2.44 C ATOM 713 C GLU A 47 -3.765 -12.109 -13.360 1.00 1.93 C ATOM 714 O GLU A 47 -2.827 -12.900 -13.420 1.00 2.59 O ATOM 715 CB GLU A 47 -5.293 -14.083 -12.763 1.00 3.58 C ATOM 716 CG GLU A 47 -5.285 -14.802 -14.114 1.00 3.93 C ATOM 717 CD GLU A 47 -5.141 -16.305 -13.934 1.00 5.22 C ATOM 718 OE1 GLU A 47 -6.025 -16.875 -13.262 1.00 6.33 O ATOM 719 OE2 GLU A 47 -4.173 -16.858 -14.497 1.00 5.49 O ATOM 0 H GLU A 47 -6.524 -12.651 -14.474 1.00 1.89 H new ATOM 0 HA GLU A 47 -5.286 -12.151 -11.875 1.00 2.44 H new ATOM 0 HB2 GLU A 47 -4.474 -14.464 -12.153 1.00 3.58 H new ATOM 0 HB3 GLU A 47 -6.219 -14.321 -12.239 1.00 3.58 H new ATOM 0 HG2 GLU A 47 -6.208 -14.584 -14.651 1.00 3.93 H new ATOM 0 HG3 GLU A 47 -4.464 -14.426 -14.725 1.00 3.93 H new ATOM 726 N GLY A 48 -3.609 -10.822 -13.692 1.00 1.36 N ATOM 727 CA GLY A 48 -2.334 -10.251 -14.097 1.00 1.50 C ATOM 728 C GLY A 48 -1.317 -10.227 -12.951 1.00 1.04 C ATOM 729 O GLY A 48 -1.615 -10.623 -11.827 1.00 2.15 O ATOM 0 H GLY A 48 -4.375 -10.148 -13.685 1.00 1.36 H new ATOM 0 HA2 GLY A 48 -1.928 -10.828 -14.928 1.00 1.50 H new ATOM 0 HA3 GLY A 48 -2.492 -9.236 -14.461 1.00 1.50 H new ATOM 733 N GLY A 49 -0.113 -9.719 -13.227 1.00 1.03 N ATOM 734 CA GLY A 49 1.032 -9.785 -12.316 1.00 1.04 C ATOM 735 C GLY A 49 1.441 -8.443 -11.692 1.00 1.09 C ATOM 736 O GLY A 49 2.278 -8.416 -10.797 1.00 1.72 O ATOM 0 H GLY A 49 0.097 -9.243 -14.104 1.00 1.03 H new ATOM 0 HA2 GLY A 49 0.800 -10.486 -11.514 1.00 1.04 H new ATOM 0 HA3 GLY A 49 1.886 -10.192 -12.858 1.00 1.04 H new ATOM 740 N ARG A 50 0.927 -7.320 -12.198 1.00 0.77 N ATOM 741 CA ARG A 50 1.354 -5.988 -11.764 1.00 0.76 C ATOM 742 C ARG A 50 0.313 -4.909 -12.066 1.00 0.84 C ATOM 743 O ARG A 50 0.393 -4.253 -13.101 1.00 1.51 O ATOM 744 CB ARG A 50 2.749 -5.651 -12.327 1.00 0.87 C ATOM 745 CG ARG A 50 2.913 -5.918 -13.832 1.00 1.93 C ATOM 746 CD ARG A 50 4.328 -5.535 -14.281 1.00 2.32 C ATOM 747 NE ARG A 50 4.506 -5.762 -15.724 1.00 3.88 N ATOM 748 CZ ARG A 50 5.643 -5.530 -16.402 1.00 5.12 C ATOM 749 NH1 ARG A 50 6.715 -5.056 -15.757 1.00 5.23 N ATOM 750 NH2 ARG A 50 5.701 -5.771 -17.717 1.00 6.67 N ATOM 0 H ARG A 50 0.205 -7.308 -12.918 1.00 0.77 H new ATOM 0 HA ARG A 50 1.439 -6.006 -10.677 1.00 0.76 H new ATOM 0 HB2 ARG A 50 2.961 -4.600 -12.133 1.00 0.87 H new ATOM 0 HB3 ARG A 50 3.495 -6.232 -11.785 1.00 0.87 H new ATOM 0 HG2 ARG A 50 2.727 -6.971 -14.045 1.00 1.93 H new ATOM 0 HG3 ARG A 50 2.176 -5.344 -14.394 1.00 1.93 H new ATOM 0 HD2 ARG A 50 4.515 -4.487 -14.049 1.00 2.32 H new ATOM 0 HD3 ARG A 50 5.060 -6.120 -13.725 1.00 2.32 H new ATOM 0 HE ARG A 50 3.708 -6.122 -16.248 1.00 3.88 H new ATOM 0 HH11 ARG A 50 6.667 -4.872 -14.755 1.00 5.23 H new ATOM 0 HH12 ARG A 50 7.580 -4.878 -16.267 1.00 5.23 H new ATOM 0 HH21 ARG A 50 4.882 -6.131 -18.206 1.00 6.67 H new ATOM 0 HH22 ARG A 50 6.565 -5.594 -18.230 1.00 6.67 H new ATOM 764 N ALA A 51 -0.662 -4.699 -11.176 1.00 0.83 N ATOM 765 CA ALA A 51 -1.661 -3.658 -11.411 1.00 0.84 C ATOM 766 C ALA A 51 -1.113 -2.272 -11.082 1.00 0.91 C ATOM 767 O ALA A 51 -0.237 -2.121 -10.232 1.00 1.65 O ATOM 768 CB ALA A 51 -2.940 -3.878 -10.608 1.00 1.49 C ATOM 0 H ALA A 51 -0.778 -5.222 -10.308 1.00 0.83 H new ATOM 0 HA ALA A 51 -1.901 -3.719 -12.472 1.00 0.84 H new ATOM 0 HB1 ALA A 51 -3.646 -3.076 -10.821 1.00 1.49 H new ATOM 0 HB2 ALA A 51 -3.383 -4.835 -10.885 1.00 1.49 H new ATOM 0 HB3 ALA A 51 -2.705 -3.881 -9.544 1.00 1.49 H new ATOM 774 N THR A 52 -1.678 -1.257 -11.734 1.00 0.71 N ATOM 775 CA THR A 52 -1.169 0.108 -11.769 1.00 0.90 C ATOM 776 C THR A 52 -1.522 0.905 -10.497 1.00 1.13 C ATOM 777 O THR A 52 -2.120 1.974 -10.555 1.00 1.36 O ATOM 778 CB THR A 52 -1.664 0.748 -13.085 1.00 1.07 C ATOM 779 OG1 THR A 52 -1.097 2.028 -13.266 1.00 1.47 O ATOM 780 CG2 THR A 52 -3.200 0.794 -13.221 1.00 1.17 C ATOM 0 H THR A 52 -2.537 -1.370 -12.273 1.00 0.71 H new ATOM 0 HA THR A 52 -0.079 0.115 -11.765 1.00 0.90 H new ATOM 0 HB THR A 52 -1.320 0.091 -13.884 1.00 1.07 H new ATOM 0 HG1 THR A 52 -1.423 2.414 -14.106 1.00 1.47 H new ATOM 0 HG21 THR A 52 -3.467 1.257 -14.171 1.00 1.17 H new ATOM 0 HG22 THR A 52 -3.599 -0.220 -13.187 1.00 1.17 H new ATOM 0 HG23 THR A 52 -3.620 1.377 -12.402 1.00 1.17 H new ATOM 788 N TYR A 53 -1.100 0.436 -9.320 1.00 1.57 N ATOM 789 CA TYR A 53 -1.331 1.151 -8.063 1.00 1.98 C ATOM 790 C TYR A 53 -0.314 2.299 -7.943 1.00 1.89 C ATOM 791 O TYR A 53 0.618 2.241 -7.145 1.00 2.37 O ATOM 792 CB TYR A 53 -1.254 0.185 -6.867 1.00 2.24 C ATOM 793 CG TYR A 53 -2.445 -0.734 -6.628 1.00 2.09 C ATOM 794 CD1 TYR A 53 -3.193 -1.267 -7.696 1.00 2.61 C ATOM 795 CD2 TYR A 53 -2.751 -1.129 -5.310 1.00 2.95 C ATOM 796 CE1 TYR A 53 -4.196 -2.216 -7.450 1.00 3.07 C ATOM 797 CE2 TYR A 53 -3.775 -2.065 -5.064 1.00 3.16 C ATOM 798 CZ TYR A 53 -4.489 -2.620 -6.139 1.00 2.89 C ATOM 799 OH TYR A 53 -5.404 -3.612 -5.940 1.00 3.56 O ATOM 0 H TYR A 53 -0.593 -0.442 -9.212 1.00 1.57 H new ATOM 0 HA TYR A 53 -2.334 1.578 -8.059 1.00 1.98 H new ATOM 0 HB2 TYR A 53 -0.369 -0.438 -6.994 1.00 2.24 H new ATOM 0 HB3 TYR A 53 -1.100 0.778 -5.965 1.00 2.24 H new ATOM 0 HD1 TYR A 53 -2.994 -0.944 -8.707 1.00 2.61 H new ATOM 0 HD2 TYR A 53 -2.197 -0.711 -4.483 1.00 2.95 H new ATOM 0 HE1 TYR A 53 -4.747 -2.639 -8.277 1.00 3.07 H new ATOM 0 HE2 TYR A 53 -4.011 -2.355 -4.051 1.00 3.16 H new ATOM 0 HH TYR A 53 -5.784 -3.531 -5.040 1.00 3.56 H new ATOM 809 N ARG A 54 -0.483 3.332 -8.769 1.00 1.49 N ATOM 810 CA ARG A 54 0.392 4.499 -8.843 1.00 1.26 C ATOM 811 C ARG A 54 -0.059 5.541 -7.814 1.00 0.95 C ATOM 812 O ARG A 54 -1.109 6.153 -8.010 1.00 1.05 O ATOM 813 CB ARG A 54 0.237 5.106 -10.248 1.00 1.62 C ATOM 814 CG ARG A 54 0.926 4.275 -11.342 1.00 1.82 C ATOM 815 CD ARG A 54 2.432 4.563 -11.406 1.00 2.29 C ATOM 816 NE ARG A 54 2.680 5.966 -11.780 1.00 2.52 N ATOM 817 CZ ARG A 54 3.836 6.631 -11.621 1.00 3.72 C ATOM 818 NH1 ARG A 54 4.910 5.998 -11.136 1.00 4.48 N ATOM 819 NH2 ARG A 54 3.909 7.926 -11.946 1.00 4.90 N ATOM 0 H ARG A 54 -1.261 3.379 -9.427 1.00 1.49 H new ATOM 0 HA ARG A 54 1.425 4.213 -8.644 1.00 1.26 H new ATOM 0 HB2 ARG A 54 -0.823 5.197 -10.483 1.00 1.62 H new ATOM 0 HB3 ARG A 54 0.652 6.114 -10.250 1.00 1.62 H new ATOM 0 HG2 ARG A 54 0.766 3.214 -11.149 1.00 1.82 H new ATOM 0 HG3 ARG A 54 0.471 4.496 -12.308 1.00 1.82 H new ATOM 0 HD2 ARG A 54 2.888 4.354 -10.439 1.00 2.29 H new ATOM 0 HD3 ARG A 54 2.903 3.900 -12.131 1.00 2.29 H new ATOM 0 HE ARG A 54 1.903 6.479 -12.198 1.00 2.52 H new ATOM 0 HH11 ARG A 54 4.851 5.011 -10.887 1.00 4.48 H new ATOM 0 HH12 ARG A 54 5.788 6.503 -11.015 1.00 4.48 H new ATOM 0 HH21 ARG A 54 3.088 8.407 -12.314 1.00 4.90 H new ATOM 0 HH22 ARG A 54 4.786 8.433 -11.826 1.00 4.90 H new ATOM 833 N GLY A 55 0.707 5.789 -6.742 1.00 0.71 N ATOM 834 CA GLY A 55 0.253 6.745 -5.738 1.00 0.56 C ATOM 835 C GLY A 55 1.345 7.340 -4.865 1.00 0.48 C ATOM 836 O GLY A 55 2.533 7.098 -5.069 1.00 0.54 O ATOM 0 H GLY A 55 1.611 5.355 -6.556 1.00 0.71 H new ATOM 0 HA2 GLY A 55 -0.268 7.558 -6.244 1.00 0.56 H new ATOM 0 HA3 GLY A 55 -0.475 6.252 -5.094 1.00 0.56 H new ATOM 840 N THR A 56 0.917 8.131 -3.878 1.00 0.50 N ATOM 841 CA THR A 56 1.766 8.754 -2.879 1.00 0.60 C ATOM 842 C THR A 56 1.352 8.255 -1.495 1.00 0.55 C ATOM 843 O THR A 56 0.182 7.930 -1.274 1.00 0.72 O ATOM 844 CB THR A 56 1.720 10.284 -3.012 1.00 0.87 C ATOM 845 OG1 THR A 56 2.738 10.857 -2.215 1.00 2.87 O ATOM 846 CG2 THR A 56 0.363 10.883 -2.625 1.00 2.26 C ATOM 0 H THR A 56 -0.069 8.359 -3.755 1.00 0.50 H new ATOM 0 HA THR A 56 2.808 8.472 -3.033 1.00 0.60 H new ATOM 0 HB THR A 56 1.878 10.517 -4.065 1.00 0.87 H new ATOM 0 HG1 THR A 56 2.710 11.833 -2.301 1.00 2.87 H new ATOM 0 HG21 THR A 56 0.397 11.966 -2.741 1.00 2.26 H new ATOM 0 HG22 THR A 56 -0.413 10.473 -3.271 1.00 2.26 H new ATOM 0 HG23 THR A 56 0.139 10.636 -1.587 1.00 2.26 H new ATOM 854 N ALA A 57 2.326 8.177 -0.585 1.00 0.64 N ATOM 855 CA ALA A 57 2.144 7.770 0.798 1.00 0.63 C ATOM 856 C ALA A 57 2.584 8.947 1.663 1.00 0.64 C ATOM 857 O ALA A 57 3.712 8.972 2.153 1.00 0.90 O ATOM 858 CB ALA A 57 2.971 6.509 1.049 1.00 0.72 C ATOM 0 H ALA A 57 3.295 8.405 -0.806 1.00 0.64 H new ATOM 0 HA ALA A 57 1.109 7.524 1.037 1.00 0.63 H new ATOM 0 HB1 ALA A 57 2.845 6.191 2.084 1.00 0.72 H new ATOM 0 HB2 ALA A 57 2.635 5.715 0.382 1.00 0.72 H new ATOM 0 HB3 ALA A 57 4.024 6.721 0.860 1.00 0.72 H new ATOM 864 N PHE A 58 1.711 9.950 1.782 1.00 0.55 N ATOM 865 CA PHE A 58 2.048 11.237 2.373 1.00 0.61 C ATOM 866 C PHE A 58 1.938 11.146 3.891 1.00 0.55 C ATOM 867 O PHE A 58 0.969 10.602 4.413 1.00 0.53 O ATOM 868 CB PHE A 58 1.199 12.358 1.760 1.00 0.79 C ATOM 869 CG PHE A 58 -0.230 12.456 2.254 1.00 0.87 C ATOM 870 CD1 PHE A 58 -0.523 13.280 3.357 1.00 2.24 C ATOM 871 CD2 PHE A 58 -1.268 11.764 1.603 1.00 1.88 C ATOM 872 CE1 PHE A 58 -1.838 13.367 3.843 1.00 2.45 C ATOM 873 CE2 PHE A 58 -2.589 11.870 2.076 1.00 1.89 C ATOM 874 CZ PHE A 58 -2.873 12.663 3.202 1.00 1.34 C ATOM 0 H PHE A 58 0.743 9.886 1.467 1.00 0.55 H new ATOM 0 HA PHE A 58 3.082 11.494 2.144 1.00 0.61 H new ATOM 0 HB2 PHE A 58 1.695 13.309 1.953 1.00 0.79 H new ATOM 0 HB3 PHE A 58 1.180 12.222 0.679 1.00 0.79 H new ATOM 0 HD1 PHE A 58 0.265 13.847 3.831 1.00 2.24 H new ATOM 0 HD2 PHE A 58 -1.051 11.152 0.740 1.00 1.88 H new ATOM 0 HE1 PHE A 58 -2.054 13.975 4.709 1.00 2.45 H new ATOM 0 HE2 PHE A 58 -3.386 11.342 1.574 1.00 1.89 H new ATOM 0 HZ PHE A 58 -3.885 12.731 3.574 1.00 1.34 H new ATOM 884 N GLY A 59 2.958 11.624 4.601 1.00 0.61 N ATOM 885 CA GLY A 59 3.040 11.475 6.042 1.00 0.65 C ATOM 886 C GLY A 59 2.148 12.490 6.744 1.00 0.78 C ATOM 887 O GLY A 59 1.706 13.461 6.134 1.00 0.89 O ATOM 0 H GLY A 59 3.746 12.123 4.189 1.00 0.61 H new ATOM 0 HA2 GLY A 59 2.742 10.465 6.325 1.00 0.65 H new ATOM 0 HA3 GLY A 59 4.072 11.605 6.367 1.00 0.65 H new ATOM 891 N SER A 60 1.977 12.331 8.059 1.00 0.94 N ATOM 892 CA SER A 60 1.299 13.328 8.884 1.00 1.12 C ATOM 893 C SER A 60 1.949 14.714 8.749 1.00 1.04 C ATOM 894 O SER A 60 1.302 15.719 9.025 1.00 1.37 O ATOM 895 CB SER A 60 1.315 12.883 10.353 1.00 1.33 C ATOM 896 OG SER A 60 0.314 13.562 11.088 1.00 1.71 O ATOM 0 H SER A 60 2.302 11.514 8.576 1.00 0.94 H new ATOM 0 HA SER A 60 0.270 13.409 8.535 1.00 1.12 H new ATOM 0 HB2 SER A 60 1.153 11.807 10.415 1.00 1.33 H new ATOM 0 HB3 SER A 60 2.294 13.083 10.789 1.00 1.33 H new ATOM 0 HG SER A 60 0.603 13.663 12.019 1.00 1.71 H new ATOM 902 N ASP A 61 3.238 14.729 8.390 1.00 0.88 N ATOM 903 CA ASP A 61 4.089 15.900 8.215 1.00 1.05 C ATOM 904 C ASP A 61 4.434 16.109 6.726 1.00 0.99 C ATOM 905 O ASP A 61 5.340 16.864 6.391 1.00 1.09 O ATOM 906 CB ASP A 61 5.348 15.609 9.049 1.00 1.24 C ATOM 907 CG ASP A 61 6.346 16.758 9.089 1.00 1.57 C ATOM 908 OD1 ASP A 61 7.527 16.479 8.785 1.00 1.92 O ATOM 909 OD2 ASP A 61 5.924 17.865 9.485 1.00 2.58 O ATOM 0 H ASP A 61 3.743 13.863 8.203 1.00 0.88 H new ATOM 0 HA ASP A 61 3.598 16.817 8.539 1.00 1.05 H new ATOM 0 HB2 ASP A 61 5.048 15.367 10.068 1.00 1.24 H new ATOM 0 HB3 ASP A 61 5.843 14.726 8.644 1.00 1.24 H new ATOM 914 N ASP A 62 3.798 15.350 5.820 1.00 0.90 N ATOM 915 CA ASP A 62 4.143 15.236 4.403 1.00 1.06 C ATOM 916 C ASP A 62 5.566 14.774 4.111 1.00 1.13 C ATOM 917 O ASP A 62 5.972 14.639 2.955 1.00 1.62 O ATOM 918 CB ASP A 62 3.716 16.471 3.595 1.00 1.40 C ATOM 919 CG ASP A 62 2.219 16.478 3.328 1.00 2.89 C ATOM 920 OD1 ASP A 62 1.526 17.324 3.931 1.00 4.58 O ATOM 921 OD2 ASP A 62 1.799 15.629 2.514 1.00 3.09 O ATOM 0 H ASP A 62 2.994 14.775 6.071 1.00 0.90 H new ATOM 0 HA ASP A 62 3.539 14.404 4.042 1.00 1.06 H new ATOM 0 HB2 ASP A 62 3.993 17.375 4.138 1.00 1.40 H new ATOM 0 HB3 ASP A 62 4.255 16.490 2.648 1.00 1.40 H new ATOM 926 N ALA A 63 6.280 14.352 5.147 1.00 1.10 N ATOM 927 CA ALA A 63 7.562 13.695 5.054 1.00 1.15 C ATOM 928 C ALA A 63 7.331 12.226 4.696 1.00 0.97 C ATOM 929 O ALA A 63 7.714 11.325 5.437 1.00 1.05 O ATOM 930 CB ALA A 63 8.170 13.844 6.440 1.00 1.36 C ATOM 0 H ALA A 63 5.963 14.466 6.110 1.00 1.10 H new ATOM 0 HA ALA A 63 8.219 14.114 4.292 1.00 1.15 H new ATOM 0 HB1 ALA A 63 9.151 13.370 6.460 1.00 1.36 H new ATOM 0 HB2 ALA A 63 8.273 14.902 6.680 1.00 1.36 H new ATOM 0 HB3 ALA A 63 7.522 13.366 7.175 1.00 1.36 H new ATOM 936 N GLY A 64 6.668 11.992 3.563 1.00 0.87 N ATOM 937 CA GLY A 64 6.113 10.698 3.205 1.00 0.78 C ATOM 938 C GLY A 64 6.730 10.152 1.919 1.00 0.70 C ATOM 939 O GLY A 64 7.428 10.861 1.189 1.00 1.00 O ATOM 0 H GLY A 64 6.502 12.712 2.860 1.00 0.87 H new ATOM 0 HA2 GLY A 64 6.283 9.992 4.018 1.00 0.78 H new ATOM 0 HA3 GLY A 64 5.034 10.787 3.081 1.00 0.78 H new ATOM 943 N GLY A 65 6.485 8.875 1.628 1.00 0.69 N ATOM 944 CA GLY A 65 7.080 8.141 0.534 1.00 0.73 C ATOM 945 C GLY A 65 6.166 8.141 -0.687 1.00 0.64 C ATOM 946 O GLY A 65 5.135 8.814 -0.693 1.00 0.91 O ATOM 0 H GLY A 65 5.838 8.308 2.177 1.00 0.69 H new ATOM 0 HA2 GLY A 65 8.041 8.585 0.273 1.00 0.73 H new ATOM 0 HA3 GLY A 65 7.277 7.115 0.845 1.00 0.73 H new ATOM 950 N LYS A 66 6.603 7.518 -1.783 1.00 0.61 N ATOM 951 CA LYS A 66 5.779 7.334 -2.970 1.00 0.65 C ATOM 952 C LYS A 66 5.492 5.849 -3.191 1.00 0.66 C ATOM 953 O LYS A 66 6.378 5.017 -3.019 1.00 1.05 O ATOM 954 CB LYS A 66 6.438 7.991 -4.183 1.00 1.04 C ATOM 955 CG LYS A 66 6.403 9.528 -4.084 1.00 1.42 C ATOM 956 CD LYS A 66 7.773 10.169 -3.810 1.00 2.39 C ATOM 957 CE LYS A 66 8.239 10.214 -2.344 1.00 3.52 C ATOM 958 NZ LYS A 66 7.265 10.905 -1.464 1.00 5.70 N ATOM 0 H LYS A 66 7.541 7.127 -1.869 1.00 0.61 H new ATOM 0 HA LYS A 66 4.818 7.827 -2.824 1.00 0.65 H new ATOM 0 HB2 LYS A 66 7.472 7.654 -4.263 1.00 1.04 H new ATOM 0 HB3 LYS A 66 5.928 7.673 -5.092 1.00 1.04 H new ATOM 0 HG2 LYS A 66 6.004 9.933 -5.014 1.00 1.42 H new ATOM 0 HG3 LYS A 66 5.714 9.815 -3.290 1.00 1.42 H new ATOM 0 HD2 LYS A 66 8.522 9.628 -4.388 1.00 2.39 H new ATOM 0 HD3 LYS A 66 7.752 11.190 -4.191 1.00 2.39 H new ATOM 0 HE2 LYS A 66 8.394 9.197 -1.983 1.00 3.52 H new ATOM 0 HE3 LYS A 66 9.201 10.722 -2.287 1.00 3.52 H new ATOM 0 HZ1 LYS A 66 7.581 10.836 -0.475 1.00 5.70 H new ATOM 0 HZ2 LYS A 66 7.199 11.906 -1.738 1.00 5.70 H new ATOM 0 HZ3 LYS A 66 6.331 10.458 -1.561 1.00 5.70 H new ATOM 972 N LEU A 67 4.245 5.517 -3.538 1.00 0.55 N ATOM 973 CA LEU A 67 3.799 4.145 -3.707 1.00 0.57 C ATOM 974 C LEU A 67 4.188 3.655 -5.094 1.00 0.64 C ATOM 975 O LEU A 67 3.627 4.116 -6.090 1.00 0.88 O ATOM 976 CB LEU A 67 2.280 4.040 -3.499 1.00 0.61 C ATOM 977 CG LEU A 67 1.740 2.611 -3.700 1.00 0.76 C ATOM 978 CD1 LEU A 67 2.099 1.675 -2.541 1.00 0.94 C ATOM 979 CD2 LEU A 67 0.219 2.670 -3.859 1.00 0.83 C ATOM 0 H LEU A 67 3.514 6.207 -3.710 1.00 0.55 H new ATOM 0 HA LEU A 67 4.282 3.517 -2.959 1.00 0.57 H new ATOM 0 HB2 LEU A 67 2.033 4.377 -2.492 1.00 0.61 H new ATOM 0 HB3 LEU A 67 1.777 4.713 -4.193 1.00 0.61 H new ATOM 0 HG LEU A 67 2.208 2.204 -4.596 1.00 0.76 H new ATOM 0 HD11 LEU A 67 1.693 0.682 -2.736 1.00 0.94 H new ATOM 0 HD12 LEU A 67 3.183 1.612 -2.447 1.00 0.94 H new ATOM 0 HD13 LEU A 67 1.676 2.064 -1.615 1.00 0.94 H new ATOM 0 HD21 LEU A 67 -0.171 1.662 -4.002 1.00 0.83 H new ATOM 0 HD22 LEU A 67 -0.224 3.107 -2.964 1.00 0.83 H new ATOM 0 HD23 LEU A 67 -0.033 3.283 -4.725 1.00 0.83 H new ATOM 991 N THR A 68 5.090 2.674 -5.151 1.00 0.62 N ATOM 992 CA THR A 68 5.327 1.954 -6.388 1.00 0.64 C ATOM 993 C THR A 68 4.213 0.928 -6.585 1.00 0.68 C ATOM 994 O THR A 68 3.740 0.320 -5.626 1.00 0.89 O ATOM 995 CB THR A 68 6.707 1.286 -6.382 1.00 0.84 C ATOM 996 OG1 THR A 68 7.671 2.155 -5.824 1.00 1.87 O ATOM 997 CG2 THR A 68 7.102 0.975 -7.829 1.00 1.67 C ATOM 0 H THR A 68 5.659 2.368 -4.362 1.00 0.62 H new ATOM 0 HA THR A 68 5.319 2.655 -7.223 1.00 0.64 H new ATOM 0 HB THR A 68 6.664 0.374 -5.787 1.00 0.84 H new ATOM 0 HG1 THR A 68 7.740 1.991 -4.860 1.00 1.87 H new ATOM 0 HG21 THR A 68 8.082 0.499 -7.844 1.00 1.67 H new ATOM 0 HG22 THR A 68 6.366 0.304 -8.271 1.00 1.67 H new ATOM 0 HG23 THR A 68 7.139 1.901 -8.403 1.00 1.67 H new ATOM 1005 N TYR A 69 3.806 0.734 -7.839 1.00 0.65 N ATOM 1006 CA TYR A 69 2.716 -0.153 -8.185 1.00 0.68 C ATOM 1007 C TYR A 69 3.226 -1.593 -8.142 1.00 0.66 C ATOM 1008 O TYR A 69 4.228 -1.921 -8.775 1.00 0.80 O ATOM 1009 CB TYR A 69 2.151 0.243 -9.556 1.00 0.69 C ATOM 1010 CG TYR A 69 3.076 0.088 -10.748 1.00 0.71 C ATOM 1011 CD1 TYR A 69 3.963 1.121 -11.105 1.00 1.84 C ATOM 1012 CD2 TYR A 69 3.011 -1.079 -11.534 1.00 2.07 C ATOM 1013 CE1 TYR A 69 4.813 0.969 -12.215 1.00 1.84 C ATOM 1014 CE2 TYR A 69 3.852 -1.225 -12.650 1.00 2.23 C ATOM 1015 CZ TYR A 69 4.762 -0.209 -12.981 1.00 1.09 C ATOM 1016 OH TYR A 69 5.589 -0.373 -14.053 1.00 1.42 O ATOM 0 H TYR A 69 4.232 1.195 -8.643 1.00 0.65 H new ATOM 0 HA TYR A 69 1.896 -0.072 -7.471 1.00 0.68 H new ATOM 0 HB2 TYR A 69 1.257 -0.353 -9.740 1.00 0.69 H new ATOM 0 HB3 TYR A 69 1.835 1.285 -9.505 1.00 0.69 H new ATOM 0 HD1 TYR A 69 3.991 2.032 -10.525 1.00 1.84 H new ATOM 0 HD2 TYR A 69 2.314 -1.863 -11.278 1.00 2.07 H new ATOM 0 HE1 TYR A 69 5.504 1.756 -12.479 1.00 1.84 H new ATOM 0 HE2 TYR A 69 3.798 -2.119 -13.253 1.00 2.23 H new ATOM 0 HH TYR A 69 5.420 -1.245 -14.466 1.00 1.42 H new ATOM 1026 N THR A 70 2.612 -2.440 -7.311 1.00 0.61 N ATOM 1027 CA THR A 70 3.116 -3.781 -7.044 1.00 0.71 C ATOM 1028 C THR A 70 1.980 -4.691 -6.574 1.00 0.63 C ATOM 1029 O THR A 70 1.908 -5.004 -5.384 1.00 0.73 O ATOM 1030 CB THR A 70 4.239 -3.705 -5.987 1.00 1.02 C ATOM 1031 OG1 THR A 70 5.218 -2.744 -6.339 1.00 1.49 O ATOM 1032 CG2 THR A 70 4.944 -5.052 -5.821 1.00 1.13 C ATOM 0 H THR A 70 1.754 -2.212 -6.808 1.00 0.61 H new ATOM 0 HA THR A 70 3.526 -4.206 -7.961 1.00 0.71 H new ATOM 0 HB THR A 70 3.757 -3.420 -5.052 1.00 1.02 H new ATOM 0 HG1 THR A 70 5.914 -2.719 -5.650 1.00 1.49 H new ATOM 0 HG21 THR A 70 5.728 -4.962 -5.070 1.00 1.13 H new ATOM 0 HG22 THR A 70 4.222 -5.804 -5.503 1.00 1.13 H new ATOM 0 HG23 THR A 70 5.385 -5.351 -6.772 1.00 1.13 H new ATOM 1040 N ILE A 71 1.070 -5.102 -7.469 1.00 0.61 N ATOM 1041 CA ILE A 71 0.046 -6.074 -7.104 1.00 0.61 C ATOM 1042 C ILE A 71 -0.088 -7.143 -8.192 1.00 0.65 C ATOM 1043 O ILE A 71 -0.499 -6.877 -9.323 1.00 0.92 O ATOM 1044 CB ILE A 71 -1.278 -5.394 -6.681 1.00 0.68 C ATOM 1045 CG1 ILE A 71 -2.315 -5.270 -7.788 1.00 0.85 C ATOM 1046 CG2 ILE A 71 -1.034 -3.958 -6.216 1.00 0.86 C ATOM 1047 CD1 ILE A 71 -3.188 -6.507 -7.909 1.00 1.46 C ATOM 0 H ILE A 71 1.027 -4.778 -8.435 1.00 0.61 H new ATOM 0 HA ILE A 71 0.361 -6.606 -6.206 1.00 0.61 H new ATOM 0 HB ILE A 71 -1.654 -6.049 -5.896 1.00 0.68 H new ATOM 0 HG12 ILE A 71 -2.945 -4.402 -7.595 1.00 0.85 H new ATOM 0 HG13 ILE A 71 -1.809 -5.092 -8.737 1.00 0.85 H new ATOM 0 HG21 ILE A 71 -1.981 -3.504 -5.925 1.00 0.86 H new ATOM 0 HG22 ILE A 71 -0.356 -3.962 -5.363 1.00 0.86 H new ATOM 0 HG23 ILE A 71 -0.591 -3.383 -7.029 1.00 0.86 H new ATOM 0 HD11 ILE A 71 -3.910 -6.365 -8.713 1.00 1.46 H new ATOM 0 HD12 ILE A 71 -2.564 -7.373 -8.130 1.00 1.46 H new ATOM 0 HD13 ILE A 71 -3.718 -6.672 -6.971 1.00 1.46 H new ATOM 1059 N ASP A 72 0.239 -8.371 -7.814 1.00 0.68 N ATOM 1060 CA ASP A 72 -0.075 -9.592 -8.523 1.00 0.78 C ATOM 1061 C ASP A 72 -1.561 -9.847 -8.308 1.00 0.84 C ATOM 1062 O ASP A 72 -1.991 -10.042 -7.170 1.00 1.05 O ATOM 1063 CB ASP A 72 0.762 -10.737 -7.949 1.00 1.01 C ATOM 1064 CG ASP A 72 2.234 -10.387 -7.767 1.00 2.62 C ATOM 1065 OD1 ASP A 72 3.065 -11.008 -8.460 1.00 3.45 O ATOM 1066 OD2 ASP A 72 2.485 -9.504 -6.912 1.00 3.83 O ATOM 0 H ASP A 72 0.760 -8.546 -6.955 1.00 0.68 H new ATOM 0 HA ASP A 72 0.149 -9.516 -9.587 1.00 0.78 H new ATOM 0 HB2 ASP A 72 0.346 -11.032 -6.986 1.00 1.01 H new ATOM 0 HB3 ASP A 72 0.682 -11.601 -8.609 1.00 1.01 H new ATOM 1071 N PHE A 73 -2.353 -9.766 -9.374 1.00 0.88 N ATOM 1072 CA PHE A 73 -3.805 -9.656 -9.326 1.00 0.90 C ATOM 1073 C PHE A 73 -4.468 -10.900 -8.769 1.00 1.06 C ATOM 1074 O PHE A 73 -5.455 -10.776 -8.052 1.00 1.44 O ATOM 1075 CB PHE A 73 -4.430 -9.370 -10.685 1.00 0.91 C ATOM 1076 CG PHE A 73 -4.218 -7.997 -11.282 1.00 0.94 C ATOM 1077 CD1 PHE A 73 -2.934 -7.597 -11.690 1.00 2.31 C ATOM 1078 CD2 PHE A 73 -5.338 -7.260 -11.708 1.00 1.51 C ATOM 1079 CE1 PHE A 73 -2.791 -6.593 -12.655 1.00 2.66 C ATOM 1080 CE2 PHE A 73 -5.170 -6.136 -12.532 1.00 1.60 C ATOM 1081 CZ PHE A 73 -3.906 -5.845 -13.067 1.00 1.71 C ATOM 0 H PHE A 73 -1.987 -9.776 -10.326 1.00 0.88 H new ATOM 0 HA PHE A 73 -3.982 -8.811 -8.661 1.00 0.90 H new ATOM 0 HB2 PHE A 73 -4.046 -10.106 -11.392 1.00 0.91 H new ATOM 0 HB3 PHE A 73 -5.504 -9.537 -10.602 1.00 0.91 H new ATOM 0 HD1 PHE A 73 -2.060 -8.063 -11.260 1.00 2.31 H new ATOM 0 HD2 PHE A 73 -6.329 -7.560 -11.400 1.00 1.51 H new ATOM 0 HE1 PHE A 73 -1.820 -6.393 -13.084 1.00 2.66 H new ATOM 0 HE2 PHE A 73 -6.012 -5.497 -12.754 1.00 1.60 H new ATOM 0 HZ PHE A 73 -3.791 -5.051 -13.791 1.00 1.71 H new ATOM 1091 N ALA A 74 -3.941 -12.071 -9.131 1.00 0.98 N ATOM 1092 CA ALA A 74 -4.509 -13.365 -8.768 1.00 1.16 C ATOM 1093 C ALA A 74 -4.851 -13.414 -7.278 1.00 1.13 C ATOM 1094 O ALA A 74 -5.840 -14.021 -6.873 1.00 1.35 O ATOM 1095 CB ALA A 74 -3.499 -14.463 -9.118 1.00 1.31 C ATOM 0 H ALA A 74 -3.094 -12.145 -9.694 1.00 0.98 H new ATOM 0 HA ALA A 74 -5.433 -13.520 -9.325 1.00 1.16 H new ATOM 0 HB1 ALA A 74 -3.912 -15.436 -8.851 1.00 1.31 H new ATOM 0 HB2 ALA A 74 -3.291 -14.438 -10.188 1.00 1.31 H new ATOM 0 HB3 ALA A 74 -2.575 -14.297 -8.564 1.00 1.31 H new ATOM 1101 N ALA A 75 -4.003 -12.767 -6.474 1.00 0.99 N ATOM 1102 CA ALA A 75 -4.109 -12.735 -5.020 1.00 1.11 C ATOM 1103 C ALA A 75 -4.213 -11.301 -4.462 1.00 0.95 C ATOM 1104 O ALA A 75 -4.687 -11.121 -3.341 1.00 1.14 O ATOM 1105 CB ALA A 75 -2.949 -13.563 -4.451 1.00 1.33 C ATOM 0 H ALA A 75 -3.206 -12.239 -6.829 1.00 0.99 H new ATOM 0 HA ALA A 75 -5.045 -13.188 -4.695 1.00 1.11 H new ATOM 0 HB1 ALA A 75 -2.999 -13.559 -3.362 1.00 1.33 H new ATOM 0 HB2 ALA A 75 -3.021 -14.588 -4.814 1.00 1.33 H new ATOM 0 HB3 ALA A 75 -2.001 -13.130 -4.772 1.00 1.33 H new ATOM 1111 N LYS A 76 -3.810 -10.290 -5.246 1.00 0.75 N ATOM 1112 CA LYS A 76 -3.843 -8.868 -4.927 1.00 0.73 C ATOM 1113 C LYS A 76 -2.975 -8.502 -3.727 1.00 0.79 C ATOM 1114 O LYS A 76 -3.449 -8.382 -2.602 1.00 1.01 O ATOM 1115 CB LYS A 76 -5.276 -8.387 -4.831 1.00 0.86 C ATOM 1116 CG LYS A 76 -5.956 -8.276 -6.200 1.00 1.76 C ATOM 1117 CD LYS A 76 -6.671 -6.926 -6.266 1.00 2.23 C ATOM 1118 CE LYS A 76 -7.327 -6.628 -7.621 1.00 3.36 C ATOM 1119 NZ LYS A 76 -6.336 -6.376 -8.684 1.00 4.58 N ATOM 0 H LYS A 76 -3.430 -10.462 -6.177 1.00 0.75 H new ATOM 0 HA LYS A 76 -3.381 -8.323 -5.750 1.00 0.73 H new ATOM 0 HB2 LYS A 76 -5.844 -9.073 -4.203 1.00 0.86 H new ATOM 0 HB3 LYS A 76 -5.296 -7.414 -4.340 1.00 0.86 H new ATOM 0 HG2 LYS A 76 -5.219 -8.356 -6.999 1.00 1.76 H new ATOM 0 HG3 LYS A 76 -6.667 -9.091 -6.339 1.00 1.76 H new ATOM 0 HD2 LYS A 76 -7.436 -6.894 -5.490 1.00 2.23 H new ATOM 0 HD3 LYS A 76 -5.954 -6.136 -6.040 1.00 2.23 H new ATOM 0 HE2 LYS A 76 -7.958 -7.469 -7.909 1.00 3.36 H new ATOM 0 HE3 LYS A 76 -7.979 -5.760 -7.523 1.00 3.36 H new ATOM 0 HZ1 LYS A 76 -6.829 -6.180 -9.579 1.00 4.58 H new ATOM 0 HZ2 LYS A 76 -5.750 -5.557 -8.425 1.00 4.58 H new ATOM 0 HZ3 LYS A 76 -5.730 -7.213 -8.799 1.00 4.58 H new ATOM 1133 N GLN A 77 -1.686 -8.273 -3.996 1.00 0.91 N ATOM 1134 CA GLN A 77 -0.732 -8.066 -2.912 1.00 0.93 C ATOM 1135 C GLN A 77 -0.865 -6.666 -2.326 1.00 1.31 C ATOM 1136 O GLN A 77 -0.939 -6.500 -1.112 1.00 2.88 O ATOM 1137 CB GLN A 77 0.718 -8.395 -3.293 1.00 1.57 C ATOM 1138 CG GLN A 77 0.895 -9.557 -4.280 1.00 1.49 C ATOM 1139 CD GLN A 77 0.113 -10.809 -3.917 1.00 1.28 C ATOM 1140 OE1 GLN A 77 -1.036 -11.014 -4.556 1.00 1.92 O flip ATOM 1141 NE2 GLN A 77 0.539 -11.593 -3.077 1.00 1.12 N flip ATOM 0 H GLN A 77 -1.289 -8.228 -4.935 1.00 0.91 H new ATOM 0 HA GLN A 77 -0.992 -8.786 -2.136 1.00 0.93 H new ATOM 0 HB2 GLN A 77 1.173 -7.503 -3.724 1.00 1.57 H new ATOM 0 HB3 GLN A 77 1.271 -8.627 -2.383 1.00 1.57 H new ATOM 0 HG2 GLN A 77 0.588 -9.226 -5.272 1.00 1.49 H new ATOM 0 HG3 GLN A 77 1.954 -9.809 -4.341 1.00 1.49 H new ATOM 0 HE21 GLN A 77 1.424 -11.405 -2.606 1.00 1.12 H new ATOM 0 HE22 GLN A 77 0.009 -12.434 -2.849 1.00 1.12 H new ATOM 1150 N GLY A 78 -0.901 -5.652 -3.193 1.00 1.17 N ATOM 1151 CA GLY A 78 -1.356 -4.318 -2.830 1.00 1.38 C ATOM 1152 C GLY A 78 -0.518 -3.656 -1.746 1.00 1.25 C ATOM 1153 O GLY A 78 -1.034 -2.881 -0.943 1.00 1.54 O ATOM 0 H GLY A 78 -0.614 -5.738 -4.168 1.00 1.17 H new ATOM 0 HA2 GLY A 78 -1.347 -3.687 -3.719 1.00 1.38 H new ATOM 0 HA3 GLY A 78 -2.390 -4.377 -2.491 1.00 1.38 H new ATOM 1157 N ASN A 79 0.787 -3.929 -1.760 1.00 1.22 N ATOM 1158 CA ASN A 79 1.748 -3.380 -0.822 1.00 1.30 C ATOM 1159 C ASN A 79 2.986 -2.990 -1.612 1.00 1.37 C ATOM 1160 O ASN A 79 3.787 -3.842 -2.004 1.00 2.27 O ATOM 1161 CB ASN A 79 2.100 -4.415 0.239 1.00 1.79 C ATOM 1162 CG ASN A 79 1.065 -4.477 1.362 1.00 2.28 C ATOM 1163 OD1 ASN A 79 1.238 -3.870 2.415 1.00 3.86 O ATOM 1164 ND2 ASN A 79 -0.027 -5.195 1.155 1.00 1.62 N ATOM 0 H ASN A 79 1.209 -4.556 -2.445 1.00 1.22 H new ATOM 0 HA ASN A 79 1.332 -2.511 -0.312 1.00 1.30 H new ATOM 0 HB2 ASN A 79 2.183 -5.396 -0.229 1.00 1.79 H new ATOM 0 HB3 ASN A 79 3.077 -4.179 0.662 1.00 1.79 H new ATOM 0 HD21 ASN A 79 -0.745 -5.252 1.878 1.00 1.62 H new ATOM 0 HD22 ASN A 79 -0.151 -5.692 0.273 1.00 1.62 H new ATOM 1171 N GLY A 80 3.142 -1.695 -1.857 1.00 0.80 N ATOM 1172 CA GLY A 80 4.245 -1.193 -2.645 1.00 0.85 C ATOM 1173 C GLY A 80 5.534 -1.118 -1.837 1.00 1.17 C ATOM 1174 O GLY A 80 5.563 -1.110 -0.613 1.00 1.75 O ATOM 0 H GLY A 80 2.508 -0.973 -1.515 1.00 0.80 H new ATOM 0 HA2 GLY A 80 4.396 -1.839 -3.510 1.00 0.85 H new ATOM 0 HA3 GLY A 80 3.997 -0.202 -3.026 1.00 0.85 H new ATOM 1178 N LYS A 81 6.630 -1.079 -2.567 1.00 1.10 N ATOM 1179 CA LYS A 81 7.931 -0.689 -2.056 1.00 1.30 C ATOM 1180 C LYS A 81 7.957 0.844 -2.102 1.00 1.31 C ATOM 1181 O LYS A 81 7.593 1.408 -3.140 1.00 1.43 O ATOM 1182 CB LYS A 81 9.014 -1.298 -2.952 1.00 1.62 C ATOM 1183 CG LYS A 81 9.227 -2.825 -2.887 1.00 2.47 C ATOM 1184 CD LYS A 81 7.987 -3.737 -2.967 1.00 3.76 C ATOM 1185 CE LYS A 81 7.475 -4.052 -1.550 1.00 5.27 C ATOM 1186 NZ LYS A 81 6.211 -4.809 -1.514 1.00 7.07 N ATOM 0 H LYS A 81 6.642 -1.324 -3.557 1.00 1.10 H new ATOM 0 HA LYS A 81 8.112 -1.039 -1.040 1.00 1.30 H new ATOM 0 HB2 LYS A 81 8.781 -1.036 -3.984 1.00 1.62 H new ATOM 0 HB3 LYS A 81 9.961 -0.817 -2.707 1.00 1.62 H new ATOM 0 HG2 LYS A 81 9.898 -3.103 -3.700 1.00 2.47 H new ATOM 0 HG3 LYS A 81 9.746 -3.050 -1.955 1.00 2.47 H new ATOM 0 HD2 LYS A 81 7.203 -3.249 -3.546 1.00 3.76 H new ATOM 0 HD3 LYS A 81 8.238 -4.662 -3.486 1.00 3.76 H new ATOM 0 HE2 LYS A 81 8.239 -4.619 -1.018 1.00 5.27 H new ATOM 0 HE3 LYS A 81 7.339 -3.115 -1.009 1.00 5.27 H new ATOM 0 HZ1 LYS A 81 5.954 -5.009 -0.526 1.00 7.07 H new ATOM 0 HZ2 LYS A 81 5.458 -4.248 -1.961 1.00 7.07 H new ATOM 0 HZ3 LYS A 81 6.328 -5.705 -2.029 1.00 7.07 H new ATOM 1200 N ILE A 82 8.300 1.518 -0.996 1.00 1.29 N ATOM 1201 CA ILE A 82 8.169 2.965 -0.894 1.00 1.38 C ATOM 1202 C ILE A 82 9.510 3.574 -0.496 1.00 1.03 C ATOM 1203 O ILE A 82 10.022 3.336 0.595 1.00 1.31 O ATOM 1204 CB ILE A 82 7.045 3.279 0.104 1.00 1.67 C ATOM 1205 CG1 ILE A 82 5.716 2.706 -0.412 1.00 2.56 C ATOM 1206 CG2 ILE A 82 6.975 4.770 0.406 1.00 1.97 C ATOM 1207 CD1 ILE A 82 4.489 3.347 0.236 1.00 3.14 C ATOM 0 H ILE A 82 8.672 1.074 -0.157 1.00 1.29 H new ATOM 0 HA ILE A 82 7.899 3.409 -1.852 1.00 1.38 H new ATOM 0 HB ILE A 82 7.261 2.794 1.056 1.00 1.67 H new ATOM 0 HG12 ILE A 82 5.663 2.846 -1.492 1.00 2.56 H new ATOM 0 HG13 ILE A 82 5.696 1.632 -0.228 1.00 2.56 H new ATOM 0 HG21 ILE A 82 6.170 4.960 1.115 1.00 1.97 H new ATOM 0 HG22 ILE A 82 7.921 5.099 0.835 1.00 1.97 H new ATOM 0 HG23 ILE A 82 6.784 5.319 -0.516 1.00 1.97 H new ATOM 0 HD11 ILE A 82 3.585 2.897 -0.173 1.00 3.14 H new ATOM 0 HD12 ILE A 82 4.520 3.185 1.313 1.00 3.14 H new ATOM 0 HD13 ILE A 82 4.486 4.417 0.030 1.00 3.14 H new ATOM 1219 N GLU A 83 10.042 4.412 -1.381 1.00 0.77 N ATOM 1220 CA GLU A 83 11.179 5.285 -1.146 1.00 1.03 C ATOM 1221 C GLU A 83 10.605 6.714 -1.186 1.00 1.76 C ATOM 1222 O GLU A 83 9.398 6.878 -1.394 1.00 3.14 O ATOM 1223 CB GLU A 83 12.218 4.984 -2.231 1.00 1.69 C ATOM 1224 CG GLU A 83 13.654 4.869 -1.712 1.00 1.66 C ATOM 1225 CD GLU A 83 14.650 5.052 -2.856 1.00 3.07 C ATOM 1226 OE1 GLU A 83 15.350 4.068 -3.165 1.00 3.06 O ATOM 1227 OE2 GLU A 83 14.657 6.168 -3.429 1.00 4.82 O ATOM 0 H GLU A 83 9.671 4.502 -2.327 1.00 0.77 H new ATOM 0 HA GLU A 83 11.687 5.146 -0.192 1.00 1.03 H new ATOM 0 HB2 GLU A 83 11.948 4.052 -2.728 1.00 1.69 H new ATOM 0 HB3 GLU A 83 12.178 5.771 -2.984 1.00 1.69 H new ATOM 0 HG2 GLU A 83 13.831 5.621 -0.943 1.00 1.66 H new ATOM 0 HG3 GLU A 83 13.802 3.895 -1.245 1.00 1.66 H new ATOM 1234 N HIS A 84 11.356 7.774 -0.869 1.00 1.24 N ATOM 1235 CA HIS A 84 12.618 8.238 -1.462 1.00 0.72 C ATOM 1236 C HIS A 84 13.284 9.137 -0.421 1.00 0.75 C ATOM 1237 O HIS A 84 13.479 10.329 -0.650 1.00 1.15 O ATOM 1238 CB HIS A 84 12.368 9.018 -2.759 1.00 1.39 C ATOM 1239 CG HIS A 84 11.921 8.171 -3.915 1.00 2.41 C ATOM 1240 ND1 HIS A 84 12.730 7.410 -4.728 1.00 4.02 N ATOM 1241 CD2 HIS A 84 10.629 7.841 -4.191 1.00 2.88 C ATOM 1242 CE1 HIS A 84 11.925 6.682 -5.523 1.00 5.41 C ATOM 1243 NE2 HIS A 84 10.631 6.907 -5.230 1.00 4.77 N ATOM 0 H HIS A 84 11.066 8.393 -0.112 1.00 1.24 H new ATOM 0 HA HIS A 84 13.253 7.391 -1.721 1.00 0.72 H new ATOM 0 HB2 HIS A 84 11.613 9.781 -2.570 1.00 1.39 H new ATOM 0 HB3 HIS A 84 13.284 9.538 -3.038 1.00 1.39 H new ATOM 0 HD1 HIS A 84 13.750 7.400 -4.728 1.00 4.02 H new ATOM 0 HD2 HIS A 84 9.755 8.233 -3.693 1.00 2.88 H new ATOM 0 HE1 HIS A 84 12.271 6.008 -6.293 1.00 5.41 H new ATOM 1251 N LEU A 85 13.457 8.615 0.792 1.00 0.68 N ATOM 1252 CA LEU A 85 13.355 9.464 1.971 1.00 0.75 C ATOM 1253 C LEU A 85 14.713 9.887 2.507 1.00 0.98 C ATOM 1254 O LEU A 85 15.726 9.235 2.270 1.00 1.24 O ATOM 1255 CB LEU A 85 12.478 8.765 3.016 1.00 0.80 C ATOM 1256 CG LEU A 85 11.025 8.763 2.539 1.00 0.88 C ATOM 1257 CD1 LEU A 85 10.398 7.370 2.414 1.00 1.48 C ATOM 1258 CD2 LEU A 85 10.145 9.683 3.392 1.00 1.30 C ATOM 0 H LEU A 85 13.663 7.634 0.980 1.00 0.68 H new ATOM 0 HA LEU A 85 12.873 10.401 1.694 1.00 0.75 H new ATOM 0 HB2 LEU A 85 12.823 7.743 3.171 1.00 0.80 H new ATOM 0 HB3 LEU A 85 12.557 9.277 3.975 1.00 0.80 H new ATOM 0 HG LEU A 85 11.068 9.159 1.524 1.00 0.88 H new ATOM 0 HD11 LEU A 85 9.368 7.464 2.070 1.00 1.48 H new ATOM 0 HD12 LEU A 85 10.967 6.778 1.697 1.00 1.48 H new ATOM 0 HD13 LEU A 85 10.413 6.876 3.385 1.00 1.48 H new ATOM 0 HD21 LEU A 85 9.121 9.653 3.021 1.00 1.30 H new ATOM 0 HD22 LEU A 85 10.165 9.347 4.429 1.00 1.30 H new ATOM 0 HD23 LEU A 85 10.523 10.704 3.334 1.00 1.30 H new ATOM 1270 N LYS A 86 14.702 10.995 3.258 1.00 1.18 N ATOM 1271 CA LYS A 86 15.886 11.685 3.732 1.00 1.46 C ATOM 1272 C LYS A 86 16.772 10.801 4.617 1.00 1.33 C ATOM 1273 O LYS A 86 17.924 11.140 4.871 1.00 1.66 O ATOM 1274 CB LYS A 86 15.481 13.012 4.398 1.00 1.84 C ATOM 1275 CG LYS A 86 14.330 12.944 5.419 1.00 1.89 C ATOM 1276 CD LYS A 86 14.589 11.893 6.496 1.00 2.25 C ATOM 1277 CE LYS A 86 14.036 12.176 7.896 1.00 3.15 C ATOM 1278 NZ LYS A 86 14.470 11.100 8.814 1.00 4.29 N ATOM 0 H LYS A 86 13.835 11.443 3.557 1.00 1.18 H new ATOM 0 HA LYS A 86 16.515 11.924 2.875 1.00 1.46 H new ATOM 0 HB2 LYS A 86 16.357 13.424 4.898 1.00 1.84 H new ATOM 0 HB3 LYS A 86 15.201 13.716 3.614 1.00 1.84 H new ATOM 0 HG2 LYS A 86 14.201 13.920 5.887 1.00 1.89 H new ATOM 0 HG3 LYS A 86 13.399 12.713 4.902 1.00 1.89 H new ATOM 0 HD2 LYS A 86 14.171 10.947 6.152 1.00 2.25 H new ATOM 0 HD3 LYS A 86 15.667 11.754 6.580 1.00 2.25 H new ATOM 0 HE2 LYS A 86 14.393 13.142 8.253 1.00 3.15 H new ATOM 0 HE3 LYS A 86 12.948 12.229 7.867 1.00 3.15 H new ATOM 0 HZ1 LYS A 86 14.215 11.353 9.790 1.00 4.29 H new ATOM 0 HZ2 LYS A 86 14.000 10.210 8.553 1.00 4.29 H new ATOM 0 HZ3 LYS A 86 15.501 10.980 8.746 1.00 4.29 H new ATOM 1292 N SER A 87 16.217 9.697 5.132 1.00 1.02 N ATOM 1293 CA SER A 87 16.960 8.707 5.901 1.00 1.00 C ATOM 1294 C SER A 87 16.638 7.326 5.332 1.00 0.93 C ATOM 1295 O SER A 87 15.460 7.048 5.093 1.00 0.90 O ATOM 1296 CB SER A 87 16.587 8.782 7.389 1.00 1.24 C ATOM 1297 OG SER A 87 16.742 10.105 7.874 1.00 1.38 O ATOM 0 H SER A 87 15.229 9.469 5.022 1.00 1.02 H new ATOM 0 HA SER A 87 18.030 8.902 5.825 1.00 1.00 H new ATOM 0 HB2 SER A 87 15.556 8.456 7.528 1.00 1.24 H new ATOM 0 HB3 SER A 87 17.217 8.102 7.963 1.00 1.24 H new ATOM 0 HG SER A 87 17.216 10.644 7.207 1.00 1.38 H new ATOM 1303 N PRO A 88 17.640 6.447 5.153 1.00 1.04 N ATOM 1304 CA PRO A 88 17.427 5.112 4.615 1.00 1.11 C ATOM 1305 C PRO A 88 16.447 4.321 5.481 1.00 1.13 C ATOM 1306 O PRO A 88 15.713 3.487 4.959 1.00 1.46 O ATOM 1307 CB PRO A 88 18.810 4.458 4.546 1.00 1.35 C ATOM 1308 CG PRO A 88 19.616 5.208 5.604 1.00 1.45 C ATOM 1309 CD PRO A 88 19.033 6.619 5.544 1.00 1.25 C ATOM 0 HA PRO A 88 16.973 5.142 3.624 1.00 1.11 H new ATOM 0 HB2 PRO A 88 18.760 3.391 4.762 1.00 1.35 H new ATOM 0 HB3 PRO A 88 19.254 4.562 3.556 1.00 1.35 H new ATOM 0 HG2 PRO A 88 19.497 4.764 6.592 1.00 1.45 H new ATOM 0 HG3 PRO A 88 20.682 5.202 5.378 1.00 1.45 H new ATOM 0 HD2 PRO A 88 19.111 7.117 6.510 1.00 1.25 H new ATOM 0 HD3 PRO A 88 19.570 7.235 4.823 1.00 1.25 H new ATOM 1317 N GLU A 89 16.385 4.635 6.784 1.00 1.13 N ATOM 1318 CA GLU A 89 15.432 4.076 7.729 1.00 1.26 C ATOM 1319 C GLU A 89 14.019 4.033 7.147 1.00 1.21 C ATOM 1320 O GLU A 89 13.258 3.104 7.392 1.00 1.55 O ATOM 1321 CB GLU A 89 15.385 4.944 8.987 1.00 1.78 C ATOM 1322 CG GLU A 89 16.716 5.256 9.678 1.00 1.92 C ATOM 1323 CD GLU A 89 16.407 5.995 10.974 1.00 2.87 C ATOM 1324 OE1 GLU A 89 16.637 7.225 11.009 1.00 3.27 O ATOM 1325 OE2 GLU A 89 15.822 5.343 11.868 1.00 4.24 O ATOM 0 H GLU A 89 17.021 5.307 7.213 1.00 1.13 H new ATOM 0 HA GLU A 89 15.761 3.062 7.957 1.00 1.26 H new ATOM 0 HB2 GLU A 89 14.911 5.890 8.726 1.00 1.78 H new ATOM 0 HB3 GLU A 89 14.736 4.452 9.712 1.00 1.78 H new ATOM 0 HG2 GLU A 89 17.264 4.337 9.884 1.00 1.92 H new ATOM 0 HG3 GLU A 89 17.348 5.866 9.032 1.00 1.92 H new ATOM 1332 N LEU A 90 13.666 5.088 6.412 1.00 1.16 N ATOM 1333 CA LEU A 90 12.323 5.302 5.917 1.00 1.28 C ATOM 1334 C LEU A 90 12.095 4.671 4.548 1.00 1.14 C ATOM 1335 O LEU A 90 10.992 4.788 4.022 1.00 1.38 O ATOM 1336 CB LEU A 90 12.055 6.813 5.891 1.00 1.40 C ATOM 1337 CG LEU A 90 11.175 7.230 7.069 1.00 1.93 C ATOM 1338 CD1 LEU A 90 11.399 8.713 7.355 1.00 1.51 C ATOM 1339 CD2 LEU A 90 9.701 6.930 6.762 1.00 4.02 C ATOM 0 H LEU A 90 14.321 5.823 6.145 1.00 1.16 H new ATOM 0 HA LEU A 90 11.618 4.808 6.586 1.00 1.28 H new ATOM 0 HB2 LEU A 90 13.000 7.355 5.928 1.00 1.40 H new ATOM 0 HB3 LEU A 90 11.568 7.084 4.954 1.00 1.40 H new ATOM 0 HG LEU A 90 11.445 6.659 7.958 1.00 1.93 H new ATOM 0 HD11 LEU A 90 10.775 9.020 8.194 1.00 1.51 H new ATOM 0 HD12 LEU A 90 12.447 8.882 7.601 1.00 1.51 H new ATOM 0 HD13 LEU A 90 11.135 9.297 6.474 1.00 1.51 H new ATOM 0 HD21 LEU A 90 9.084 7.231 7.609 1.00 4.02 H new ATOM 0 HD22 LEU A 90 9.394 7.483 5.874 1.00 4.02 H new ATOM 0 HD23 LEU A 90 9.576 5.862 6.585 1.00 4.02 H new ATOM 1351 N ASN A 91 13.097 4.028 3.936 1.00 0.97 N ATOM 1352 CA ASN A 91 12.874 3.373 2.655 1.00 0.98 C ATOM 1353 C ASN A 91 12.114 2.092 2.995 1.00 1.02 C ATOM 1354 O ASN A 91 12.701 1.116 3.455 1.00 1.12 O ATOM 1355 CB ASN A 91 14.198 3.142 1.915 1.00 1.00 C ATOM 1356 CG ASN A 91 15.051 4.397 1.704 1.00 1.12 C ATOM 1357 OD1 ASN A 91 14.559 5.582 2.069 1.00 2.34 O flip ATOM 1358 ND2 ASN A 91 16.189 4.304 1.258 1.00 0.99 N flip ATOM 0 H ASN A 91 14.046 3.951 4.301 1.00 0.97 H new ATOM 0 HA ASN A 91 12.292 3.978 1.959 1.00 0.98 H new ATOM 0 HB2 ASN A 91 14.785 2.412 2.472 1.00 1.00 H new ATOM 0 HB3 ASN A 91 13.981 2.701 0.942 1.00 1.00 H new ATOM 0 HD21 ASN A 91 16.556 3.393 0.982 1.00 0.99 H new ATOM 0 HD22 ASN A 91 16.769 5.137 1.163 1.00 0.99 H new ATOM 1365 N VAL A 92 10.786 2.168 2.905 1.00 1.10 N ATOM 1366 CA VAL A 92 9.863 1.292 3.598 1.00 0.86 C ATOM 1367 C VAL A 92 9.267 0.289 2.623 1.00 0.84 C ATOM 1368 O VAL A 92 8.596 0.659 1.659 1.00 1.01 O ATOM 1369 CB VAL A 92 8.819 2.121 4.371 1.00 0.71 C ATOM 1370 CG1 VAL A 92 7.877 2.989 3.539 1.00 2.10 C ATOM 1371 CG2 VAL A 92 7.952 1.256 5.290 1.00 2.05 C ATOM 0 H VAL A 92 10.316 2.865 2.328 1.00 1.10 H new ATOM 0 HA VAL A 92 10.389 0.704 4.350 1.00 0.86 H new ATOM 0 HB VAL A 92 9.459 2.798 4.936 1.00 0.71 H new ATOM 0 HG11 VAL A 92 7.193 3.520 4.200 1.00 2.10 H new ATOM 0 HG12 VAL A 92 8.459 3.710 2.964 1.00 2.10 H new ATOM 0 HG13 VAL A 92 7.307 2.357 2.858 1.00 2.10 H new ATOM 0 HG21 VAL A 92 7.233 1.887 5.812 1.00 2.05 H new ATOM 0 HG22 VAL A 92 7.419 0.514 4.695 1.00 2.05 H new ATOM 0 HG23 VAL A 92 8.586 0.750 6.018 1.00 2.05 H new ATOM 1381 N ASP A 93 9.507 -0.993 2.878 1.00 0.77 N ATOM 1382 CA ASP A 93 8.896 -2.056 2.108 1.00 0.78 C ATOM 1383 C ASP A 93 7.528 -2.292 2.724 1.00 0.72 C ATOM 1384 O ASP A 93 7.454 -2.686 3.886 1.00 0.95 O ATOM 1385 CB ASP A 93 9.746 -3.334 2.208 1.00 1.03 C ATOM 1386 CG ASP A 93 10.212 -3.821 0.849 1.00 1.28 C ATOM 1387 OD1 ASP A 93 9.901 -4.988 0.527 1.00 2.58 O ATOM 1388 OD2 ASP A 93 10.843 -3.012 0.139 1.00 1.79 O ATOM 0 H ASP A 93 10.127 -1.317 3.620 1.00 0.77 H new ATOM 0 HA ASP A 93 8.818 -1.791 1.054 1.00 0.78 H new ATOM 0 HB2 ASP A 93 10.613 -3.143 2.840 1.00 1.03 H new ATOM 0 HB3 ASP A 93 9.164 -4.118 2.693 1.00 1.03 H new ATOM 1393 N LEU A 94 6.441 -2.093 1.982 1.00 0.95 N ATOM 1394 CA LEU A 94 5.172 -2.606 2.474 1.00 1.06 C ATOM 1395 C LEU A 94 5.190 -4.111 2.165 1.00 0.99 C ATOM 1396 O LEU A 94 5.522 -4.503 1.042 1.00 1.12 O ATOM 1397 CB LEU A 94 3.999 -1.871 1.821 1.00 1.27 C ATOM 1398 CG LEU A 94 4.056 -0.332 1.885 1.00 1.20 C ATOM 1399 CD1 LEU A 94 2.955 0.251 0.995 1.00 1.42 C ATOM 1400 CD2 LEU A 94 3.858 0.179 3.304 1.00 1.84 C ATOM 0 H LEU A 94 6.411 -1.607 1.086 1.00 0.95 H new ATOM 0 HA LEU A 94 5.042 -2.444 3.544 1.00 1.06 H new ATOM 0 HB2 LEU A 94 3.943 -2.171 0.775 1.00 1.27 H new ATOM 0 HB3 LEU A 94 3.076 -2.202 2.297 1.00 1.27 H new ATOM 0 HG LEU A 94 5.041 -0.019 1.540 1.00 1.20 H new ATOM 0 HD11 LEU A 94 2.991 1.340 1.037 1.00 1.42 H new ATOM 0 HD12 LEU A 94 3.106 -0.078 -0.033 1.00 1.42 H new ATOM 0 HD13 LEU A 94 1.982 -0.093 1.347 1.00 1.42 H new ATOM 0 HD21 LEU A 94 3.905 1.268 3.308 1.00 1.84 H new ATOM 0 HD22 LEU A 94 2.885 -0.144 3.675 1.00 1.84 H new ATOM 0 HD23 LEU A 94 4.642 -0.220 3.947 1.00 1.84 H new ATOM 1412 N ALA A 95 4.902 -4.966 3.148 1.00 0.88 N ATOM 1413 CA ALA A 95 5.108 -6.404 3.027 1.00 0.88 C ATOM 1414 C ALA A 95 3.965 -7.020 2.226 1.00 0.74 C ATOM 1415 O ALA A 95 2.888 -6.440 2.148 1.00 0.77 O ATOM 1416 CB ALA A 95 5.200 -7.035 4.419 1.00 1.05 C ATOM 0 H ALA A 95 4.520 -4.678 4.049 1.00 0.88 H new ATOM 0 HA ALA A 95 6.043 -6.596 2.501 1.00 0.88 H new ATOM 0 HB1 ALA A 95 5.354 -8.110 4.322 1.00 1.05 H new ATOM 0 HB2 ALA A 95 6.037 -6.596 4.963 1.00 1.05 H new ATOM 0 HB3 ALA A 95 4.275 -6.849 4.965 1.00 1.05 H new ATOM 1422 N ALA A 96 4.173 -8.192 1.623 1.00 0.77 N ATOM 1423 CA ALA A 96 3.159 -8.753 0.741 1.00 0.78 C ATOM 1424 C ALA A 96 2.018 -9.351 1.564 1.00 0.76 C ATOM 1425 O ALA A 96 2.175 -9.658 2.746 1.00 1.53 O ATOM 1426 CB ALA A 96 3.782 -9.791 -0.196 1.00 0.96 C ATOM 0 H ALA A 96 5.016 -8.757 1.728 1.00 0.77 H new ATOM 0 HA ALA A 96 2.744 -7.957 0.122 1.00 0.78 H new ATOM 0 HB1 ALA A 96 3.011 -10.201 -0.849 1.00 0.96 H new ATOM 0 HB2 ALA A 96 4.555 -9.318 -0.801 1.00 0.96 H new ATOM 0 HB3 ALA A 96 4.223 -10.595 0.393 1.00 0.96 H new ATOM 1432 N ALA A 97 0.856 -9.475 0.927 1.00 0.77 N ATOM 1433 CA ALA A 97 -0.413 -9.865 1.516 1.00 0.78 C ATOM 1434 C ALA A 97 -1.237 -10.505 0.399 1.00 1.25 C ATOM 1435 O ALA A 97 -0.759 -10.587 -0.729 1.00 2.31 O ATOM 1436 CB ALA A 97 -1.108 -8.626 2.096 1.00 1.24 C ATOM 0 H ALA A 97 0.775 -9.294 -0.074 1.00 0.77 H new ATOM 0 HA ALA A 97 -0.285 -10.574 2.334 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -2.061 -8.917 2.538 1.00 1.24 H new ATOM 0 HB2 ALA A 97 -0.474 -8.178 2.861 1.00 1.24 H new ATOM 0 HB3 ALA A 97 -1.284 -7.902 1.301 1.00 1.24 H new ATOM 1442 N ASP A 98 -2.448 -10.966 0.705 1.00 0.87 N ATOM 1443 CA ASP A 98 -3.462 -11.283 -0.292 1.00 1.01 C ATOM 1444 C ASP A 98 -4.811 -10.808 0.218 1.00 1.14 C ATOM 1445 O ASP A 98 -4.929 -10.494 1.404 1.00 1.42 O ATOM 1446 CB ASP A 98 -3.471 -12.773 -0.685 1.00 1.55 C ATOM 1447 CG ASP A 98 -4.313 -13.713 0.165 1.00 2.37 C ATOM 1448 OD1 ASP A 98 -3.808 -14.810 0.495 1.00 3.41 O ATOM 1449 OD2 ASP A 98 -5.534 -13.480 0.321 1.00 3.32 O ATOM 0 H ASP A 98 -2.754 -11.131 1.664 1.00 0.87 H new ATOM 0 HA ASP A 98 -3.223 -10.756 -1.216 1.00 1.01 H new ATOM 0 HB2 ASP A 98 -3.818 -12.848 -1.716 1.00 1.55 H new ATOM 0 HB3 ASP A 98 -2.442 -13.133 -0.668 1.00 1.55 H new ATOM 1454 N ILE A 99 -5.809 -10.751 -0.668 1.00 1.13 N ATOM 1455 CA ILE A 99 -7.164 -10.414 -0.319 1.00 1.23 C ATOM 1456 C ILE A 99 -8.145 -11.484 -0.803 1.00 1.52 C ATOM 1457 O ILE A 99 -8.849 -11.310 -1.794 1.00 1.85 O ATOM 1458 CB ILE A 99 -7.456 -8.981 -0.759 1.00 0.89 C ATOM 1459 CG1 ILE A 99 -8.940 -8.682 -0.671 1.00 0.99 C ATOM 1460 CG2 ILE A 99 -6.941 -8.586 -2.139 1.00 1.06 C ATOM 1461 CD1 ILE A 99 -9.094 -7.217 -0.281 1.00 1.40 C ATOM 0 H ILE A 99 -5.681 -10.944 -1.661 1.00 1.13 H new ATOM 0 HA ILE A 99 -7.303 -10.420 0.762 1.00 1.23 H new ATOM 0 HB ILE A 99 -6.889 -8.373 -0.054 1.00 0.89 H new ATOM 0 HG12 ILE A 99 -9.427 -8.877 -1.627 1.00 0.99 H new ATOM 0 HG13 ILE A 99 -9.417 -9.327 0.067 1.00 0.99 H new ATOM 0 HG21 ILE A 99 -7.206 -7.549 -2.343 1.00 1.06 H new ATOM 0 HG22 ILE A 99 -5.857 -8.696 -2.168 1.00 1.06 H new ATOM 0 HG23 ILE A 99 -7.391 -9.231 -2.894 1.00 1.06 H new ATOM 0 HD11 ILE A 99 -10.153 -6.969 -0.209 1.00 1.40 H new ATOM 0 HD12 ILE A 99 -8.615 -7.045 0.683 1.00 1.40 H new ATOM 0 HD13 ILE A 99 -8.625 -6.588 -1.037 1.00 1.40 H new ATOM 1473 N LYS A 100 -8.224 -12.559 -0.016 1.00 1.95 N ATOM 1474 CA LYS A 100 -9.426 -13.377 0.126 1.00 1.98 C ATOM 1475 C LYS A 100 -10.452 -12.822 1.140 1.00 1.48 C ATOM 1476 O LYS A 100 -11.643 -12.914 0.851 1.00 2.36 O ATOM 1477 CB LYS A 100 -9.124 -14.883 0.265 1.00 3.23 C ATOM 1478 CG LYS A 100 -8.893 -15.483 1.664 1.00 3.77 C ATOM 1479 CD LYS A 100 -7.489 -15.315 2.261 1.00 4.35 C ATOM 1480 CE LYS A 100 -6.457 -16.331 1.750 1.00 5.93 C ATOM 1481 NZ LYS A 100 -6.055 -16.035 0.367 1.00 7.13 N ATOM 0 H LYS A 100 -7.441 -12.889 0.549 1.00 1.95 H new ATOM 0 HA LYS A 100 -9.947 -13.293 -0.828 1.00 1.98 H new ATOM 0 HB2 LYS A 100 -9.952 -15.426 -0.191 1.00 3.23 H new ATOM 0 HB3 LYS A 100 -8.237 -15.095 -0.332 1.00 3.23 H new ATOM 0 HG2 LYS A 100 -9.611 -15.034 2.350 1.00 3.77 H new ATOM 0 HG3 LYS A 100 -9.119 -16.548 1.619 1.00 3.77 H new ATOM 0 HD2 LYS A 100 -7.131 -14.309 2.040 1.00 4.35 H new ATOM 0 HD3 LYS A 100 -7.556 -15.398 3.346 1.00 4.35 H new ATOM 0 HE2 LYS A 100 -5.580 -16.318 2.397 1.00 5.93 H new ATOM 0 HE3 LYS A 100 -6.876 -17.336 1.802 1.00 5.93 H new ATOM 0 HZ1 LYS A 100 -5.025 -16.142 0.274 1.00 7.13 H new ATOM 0 HZ2 LYS A 100 -6.531 -16.694 -0.282 1.00 7.13 H new ATOM 0 HZ3 LYS A 100 -6.324 -15.059 0.129 1.00 7.13 H new ATOM 1495 N PRO A 101 -10.081 -12.274 2.321 1.00 1.70 N ATOM 1496 CA PRO A 101 -11.071 -11.724 3.248 1.00 2.47 C ATOM 1497 C PRO A 101 -11.656 -10.410 2.714 1.00 2.02 C ATOM 1498 O PRO A 101 -11.459 -10.062 1.551 1.00 3.22 O ATOM 1499 CB PRO A 101 -10.330 -11.543 4.581 1.00 4.17 C ATOM 1500 CG PRO A 101 -8.911 -11.235 4.124 1.00 4.30 C ATOM 1501 CD PRO A 101 -8.764 -12.190 2.942 1.00 2.77 C ATOM 0 HA PRO A 101 -11.929 -12.384 3.373 1.00 2.47 H new ATOM 0 HB2 PRO A 101 -10.752 -10.731 5.174 1.00 4.17 H new ATOM 0 HB3 PRO A 101 -10.373 -12.442 5.196 1.00 4.17 H new ATOM 0 HG2 PRO A 101 -8.792 -10.193 3.828 1.00 4.30 H new ATOM 0 HG3 PRO A 101 -8.176 -11.431 4.905 1.00 4.30 H new ATOM 0 HD2 PRO A 101 -8.022 -11.821 2.233 1.00 2.77 H new ATOM 0 HD3 PRO A 101 -8.427 -13.172 3.274 1.00 2.77 H new ATOM 1509 N ASP A 102 -12.393 -9.694 3.575 1.00 2.05 N ATOM 1510 CA ASP A 102 -13.132 -8.465 3.288 1.00 1.96 C ATOM 1511 C ASP A 102 -14.304 -8.740 2.361 1.00 1.64 C ATOM 1512 O ASP A 102 -15.460 -8.547 2.746 1.00 2.28 O ATOM 1513 CB ASP A 102 -12.245 -7.335 2.739 1.00 2.57 C ATOM 1514 CG ASP A 102 -11.839 -6.354 3.827 1.00 4.13 C ATOM 1515 OD1 ASP A 102 -11.948 -5.145 3.534 1.00 5.05 O ATOM 1516 OD2 ASP A 102 -11.492 -6.820 4.934 1.00 5.09 O ATOM 0 H ASP A 102 -12.492 -9.979 4.549 1.00 2.05 H new ATOM 0 HA ASP A 102 -13.517 -8.110 4.244 1.00 1.96 H new ATOM 0 HB2 ASP A 102 -11.352 -7.763 2.284 1.00 2.57 H new ATOM 0 HB3 ASP A 102 -12.780 -6.803 1.952 1.00 2.57 H new ATOM 1521 N GLY A 103 -14.009 -9.175 1.140 1.00 2.20 N ATOM 1522 CA GLY A 103 -15.007 -9.481 0.141 1.00 2.81 C ATOM 1523 C GLY A 103 -15.409 -8.233 -0.642 1.00 2.79 C ATOM 1524 O GLY A 103 -14.720 -7.209 -0.663 1.00 4.10 O ATOM 0 H GLY A 103 -13.052 -9.325 0.819 1.00 2.20 H new ATOM 0 HA2 GLY A 103 -14.619 -10.234 -0.545 1.00 2.81 H new ATOM 0 HA3 GLY A 103 -15.886 -9.910 0.622 1.00 2.81 H new ATOM 1528 N LYS A 104 -16.585 -8.330 -1.259 1.00 2.01 N ATOM 1529 CA LYS A 104 -17.289 -7.295 -1.981 1.00 2.16 C ATOM 1530 C LYS A 104 -16.528 -7.006 -3.256 1.00 2.44 C ATOM 1531 O LYS A 104 -16.871 -7.537 -4.308 1.00 3.92 O ATOM 1532 CB LYS A 104 -17.539 -6.026 -1.144 1.00 2.26 C ATOM 1533 CG LYS A 104 -18.382 -6.286 0.108 1.00 2.62 C ATOM 1534 CD LYS A 104 -17.517 -6.315 1.377 1.00 3.62 C ATOM 1535 CE LYS A 104 -18.301 -6.802 2.604 1.00 4.36 C ATOM 1536 NZ LYS A 104 -17.409 -7.017 3.763 1.00 5.30 N ATOM 0 H LYS A 104 -17.104 -9.208 -1.262 1.00 2.01 H new ATOM 0 HA LYS A 104 -18.289 -7.655 -2.223 1.00 2.16 H new ATOM 0 HB2 LYS A 104 -16.581 -5.600 -0.847 1.00 2.26 H new ATOM 0 HB3 LYS A 104 -18.040 -5.283 -1.764 1.00 2.26 H new ATOM 0 HG2 LYS A 104 -19.142 -5.510 0.203 1.00 2.62 H new ATOM 0 HG3 LYS A 104 -18.907 -7.236 0.003 1.00 2.62 H new ATOM 0 HD2 LYS A 104 -16.659 -6.967 1.214 1.00 3.62 H new ATOM 0 HD3 LYS A 104 -17.126 -5.316 1.571 1.00 3.62 H new ATOM 0 HE2 LYS A 104 -19.066 -6.070 2.863 1.00 4.36 H new ATOM 0 HE3 LYS A 104 -18.817 -7.731 2.363 1.00 4.36 H new ATOM 0 HZ1 LYS A 104 -17.979 -7.247 4.602 1.00 5.30 H new ATOM 0 HZ2 LYS A 104 -16.759 -7.803 3.560 1.00 5.30 H new ATOM 0 HZ3 LYS A 104 -16.860 -6.152 3.944 1.00 5.30 H new ATOM 1550 N ARG A 105 -15.502 -6.168 -3.133 1.00 2.06 N ATOM 1551 CA ARG A 105 -14.729 -5.634 -4.233 1.00 2.21 C ATOM 1552 C ARG A 105 -13.417 -5.039 -3.711 1.00 2.14 C ATOM 1553 O ARG A 105 -13.059 -3.926 -4.088 1.00 2.77 O ATOM 1554 CB ARG A 105 -15.511 -4.582 -5.048 1.00 2.26 C ATOM 1555 CG ARG A 105 -16.804 -5.081 -5.702 1.00 2.92 C ATOM 1556 CD ARG A 105 -17.368 -4.112 -6.747 1.00 3.47 C ATOM 1557 NE ARG A 105 -18.246 -4.827 -7.686 1.00 4.57 N ATOM 1558 CZ ARG A 105 -19.405 -5.439 -7.411 1.00 5.16 C ATOM 1559 NH1 ARG A 105 -20.033 -5.218 -6.252 1.00 5.19 N ATOM 1560 NH2 ARG A 105 -19.906 -6.281 -8.315 1.00 6.55 N ATOM 0 H ARG A 105 -15.180 -5.834 -2.225 1.00 2.06 H new ATOM 0 HA ARG A 105 -14.511 -6.461 -4.909 1.00 2.21 H new ATOM 0 HB2 ARG A 105 -15.756 -3.747 -4.391 1.00 2.26 H new ATOM 0 HB3 ARG A 105 -14.857 -4.193 -5.828 1.00 2.26 H new ATOM 0 HG2 ARG A 105 -16.615 -6.045 -6.175 1.00 2.92 H new ATOM 0 HG3 ARG A 105 -17.554 -5.247 -4.928 1.00 2.92 H new ATOM 0 HD2 ARG A 105 -17.925 -3.317 -6.252 1.00 3.47 H new ATOM 0 HD3 ARG A 105 -16.551 -3.638 -7.291 1.00 3.47 H new ATOM 0 HE ARG A 105 -17.937 -4.860 -8.657 1.00 4.57 H new ATOM 0 HH11 ARG A 105 -19.630 -4.578 -5.567 1.00 5.19 H new ATOM 0 HH12 ARG A 105 -20.915 -5.689 -6.052 1.00 5.19 H new ATOM 0 HH21 ARG A 105 -19.408 -6.445 -9.190 1.00 6.55 H new ATOM 0 HH22 ARG A 105 -20.787 -6.761 -8.132 1.00 6.55 H new ATOM 1574 N HIS A 106 -12.698 -5.765 -2.846 1.00 2.10 N ATOM 1575 CA HIS A 106 -11.411 -5.329 -2.315 1.00 2.20 C ATOM 1576 C HIS A 106 -11.603 -4.046 -1.505 1.00 2.01 C ATOM 1577 O HIS A 106 -10.956 -3.028 -1.753 1.00 3.21 O ATOM 1578 CB HIS A 106 -10.359 -5.306 -3.444 1.00 2.65 C ATOM 1579 CG HIS A 106 -8.983 -4.716 -3.213 1.00 3.87 C ATOM 1580 ND1 HIS A 106 -8.456 -4.177 -2.060 1.00 4.78 N ATOM 1581 CD2 HIS A 106 -8.041 -4.556 -4.194 1.00 4.98 C ATOM 1582 CE1 HIS A 106 -7.223 -3.724 -2.351 1.00 5.91 C ATOM 1583 NE2 HIS A 106 -6.920 -3.931 -3.643 1.00 6.06 N ATOM 0 H HIS A 106 -12.999 -6.675 -2.496 1.00 2.10 H new ATOM 0 HA HIS A 106 -10.996 -6.035 -1.595 1.00 2.20 H new ATOM 0 HB2 HIS A 106 -10.215 -6.337 -3.768 1.00 2.65 H new ATOM 0 HB3 HIS A 106 -10.801 -4.768 -4.282 1.00 2.65 H new ATOM 0 HD1 HIS A 106 -8.917 -4.130 -1.151 1.00 4.78 H new ATOM 0 HD2 HIS A 106 -8.147 -4.863 -5.224 1.00 4.98 H new ATOM 0 HE1 HIS A 106 -6.562 -3.254 -1.638 1.00 5.91 H new ATOM 1591 N ALA A 107 -12.489 -4.137 -0.504 1.00 1.23 N ATOM 1592 CA ALA A 107 -12.749 -3.063 0.445 1.00 1.83 C ATOM 1593 C ALA A 107 -11.432 -2.609 1.080 1.00 1.67 C ATOM 1594 O ALA A 107 -11.017 -1.483 0.823 1.00 1.86 O ATOM 1595 CB ALA A 107 -13.815 -3.488 1.458 1.00 2.80 C ATOM 0 H ALA A 107 -13.049 -4.972 -0.334 1.00 1.23 H new ATOM 0 HA ALA A 107 -13.163 -2.195 -0.068 1.00 1.83 H new ATOM 0 HB1 ALA A 107 -13.996 -2.673 2.159 1.00 2.80 H new ATOM 0 HB2 ALA A 107 -14.740 -3.728 0.934 1.00 2.80 H new ATOM 0 HB3 ALA A 107 -13.469 -4.366 2.004 1.00 2.80 H new ATOM 1601 N VAL A 108 -10.731 -3.474 1.823 1.00 1.48 N ATOM 1602 CA VAL A 108 -9.310 -3.290 2.089 1.00 1.15 C ATOM 1603 C VAL A 108 -8.536 -4.606 2.121 1.00 1.11 C ATOM 1604 O VAL A 108 -9.031 -5.642 2.551 1.00 1.34 O ATOM 1605 CB VAL A 108 -9.039 -2.523 3.392 1.00 1.13 C ATOM 1606 CG1 VAL A 108 -9.322 -1.030 3.265 1.00 1.36 C ATOM 1607 CG2 VAL A 108 -9.760 -3.106 4.613 1.00 1.34 C ATOM 0 H VAL A 108 -11.132 -4.309 2.249 1.00 1.48 H new ATOM 0 HA VAL A 108 -8.953 -2.693 1.250 1.00 1.15 H new ATOM 0 HB VAL A 108 -7.971 -2.651 3.566 1.00 1.13 H new ATOM 0 HG11 VAL A 108 -9.113 -0.538 4.215 1.00 1.36 H new ATOM 0 HG12 VAL A 108 -8.687 -0.604 2.489 1.00 1.36 H new ATOM 0 HG13 VAL A 108 -10.369 -0.879 3.000 1.00 1.36 H new ATOM 0 HG21 VAL A 108 -9.520 -2.512 5.495 1.00 1.34 H new ATOM 0 HG22 VAL A 108 -10.837 -3.086 4.444 1.00 1.34 H new ATOM 0 HG23 VAL A 108 -9.436 -4.135 4.770 1.00 1.34 H new ATOM 1617 N ILE A 109 -7.271 -4.521 1.709 1.00 0.98 N ATOM 1618 CA ILE A 109 -6.195 -5.404 2.108 1.00 0.96 C ATOM 1619 C ILE A 109 -5.728 -4.938 3.484 1.00 0.90 C ATOM 1620 O ILE A 109 -5.668 -3.733 3.741 1.00 0.95 O ATOM 1621 CB ILE A 109 -5.035 -5.310 1.089 1.00 1.05 C ATOM 1622 CG1 ILE A 109 -5.430 -5.935 -0.248 1.00 2.10 C ATOM 1623 CG2 ILE A 109 -3.738 -5.957 1.604 1.00 1.63 C ATOM 1624 CD1 ILE A 109 -4.539 -5.498 -1.410 1.00 2.68 C ATOM 0 H ILE A 109 -6.963 -3.799 1.058 1.00 0.98 H new ATOM 0 HA ILE A 109 -6.528 -6.441 2.143 1.00 0.96 H new ATOM 0 HB ILE A 109 -4.838 -4.247 0.948 1.00 1.05 H new ATOM 0 HG12 ILE A 109 -5.391 -7.021 -0.159 1.00 2.10 H new ATOM 0 HG13 ILE A 109 -6.463 -5.671 -0.473 1.00 2.10 H new ATOM 0 HG21 ILE A 109 -2.959 -5.861 0.848 1.00 1.63 H new ATOM 0 HG22 ILE A 109 -3.420 -5.456 2.518 1.00 1.63 H new ATOM 0 HG23 ILE A 109 -3.915 -7.012 1.811 1.00 1.63 H new ATOM 0 HD11 ILE A 109 -4.876 -5.979 -2.328 1.00 2.68 H new ATOM 0 HD12 ILE A 109 -4.597 -4.416 -1.526 1.00 2.68 H new ATOM 0 HD13 ILE A 109 -3.508 -5.787 -1.206 1.00 2.68 H new ATOM 1636 N SER A 110 -5.359 -5.893 4.341 1.00 1.07 N ATOM 1637 CA SER A 110 -4.659 -5.645 5.590 1.00 0.94 C ATOM 1638 C SER A 110 -3.206 -6.067 5.369 1.00 0.95 C ATOM 1639 O SER A 110 -2.960 -7.218 5.012 1.00 1.50 O ATOM 1640 CB SER A 110 -5.321 -6.450 6.713 1.00 0.92 C ATOM 1641 OG SER A 110 -4.751 -6.106 7.959 1.00 1.57 O ATOM 0 H SER A 110 -5.546 -6.882 4.176 1.00 1.07 H new ATOM 0 HA SER A 110 -4.698 -4.596 5.883 1.00 0.94 H new ATOM 0 HB2 SER A 110 -6.393 -6.254 6.728 1.00 0.92 H new ATOM 0 HB3 SER A 110 -5.195 -7.517 6.529 1.00 0.92 H new ATOM 0 HG SER A 110 -5.182 -6.625 8.670 1.00 1.57 H new ATOM 1647 N GLY A 111 -2.264 -5.133 5.513 1.00 0.88 N ATOM 1648 CA GLY A 111 -0.832 -5.363 5.340 1.00 0.87 C ATOM 1649 C GLY A 111 -0.034 -4.794 6.518 1.00 0.80 C ATOM 1650 O GLY A 111 -0.593 -4.286 7.491 1.00 1.09 O ATOM 0 H GLY A 111 -2.485 -4.168 5.760 1.00 0.88 H new ATOM 0 HA2 GLY A 111 -0.641 -6.432 5.250 1.00 0.87 H new ATOM 0 HA3 GLY A 111 -0.496 -4.900 4.412 1.00 0.87 H new ATOM 1654 N SER A 112 1.291 -4.947 6.498 1.00 0.89 N ATOM 1655 CA SER A 112 2.193 -4.354 7.481 1.00 0.89 C ATOM 1656 C SER A 112 3.508 -4.035 6.772 1.00 0.52 C ATOM 1657 O SER A 112 3.683 -4.452 5.627 1.00 0.56 O ATOM 1658 CB SER A 112 2.379 -5.301 8.673 1.00 1.29 C ATOM 1659 OG SER A 112 1.150 -5.475 9.356 1.00 2.23 O ATOM 0 H SER A 112 1.773 -5.496 5.786 1.00 0.89 H new ATOM 0 HA SER A 112 1.780 -3.431 7.889 1.00 0.89 H new ATOM 0 HB2 SER A 112 2.750 -6.265 8.326 1.00 1.29 H new ATOM 0 HB3 SER A 112 3.128 -4.897 9.354 1.00 1.29 H new ATOM 0 HG SER A 112 0.445 -4.976 8.893 1.00 2.23 H new ATOM 1665 N VAL A 113 4.393 -3.257 7.401 1.00 0.42 N ATOM 1666 CA VAL A 113 5.522 -2.635 6.716 1.00 0.43 C ATOM 1667 C VAL A 113 6.849 -2.950 7.400 1.00 0.65 C ATOM 1668 O VAL A 113 6.897 -3.076 8.620 1.00 0.80 O ATOM 1669 CB VAL A 113 5.302 -1.113 6.591 1.00 0.53 C ATOM 1670 CG1 VAL A 113 3.817 -0.741 6.464 1.00 0.68 C ATOM 1671 CG2 VAL A 113 5.893 -0.298 7.746 1.00 0.79 C ATOM 0 H VAL A 113 4.345 -3.043 8.397 1.00 0.42 H new ATOM 0 HA VAL A 113 5.578 -3.059 5.713 1.00 0.43 H new ATOM 0 HB VAL A 113 5.835 -0.855 5.676 1.00 0.53 H new ATOM 0 HG11 VAL A 113 3.719 0.341 6.379 1.00 0.68 H new ATOM 0 HG12 VAL A 113 3.398 -1.214 5.576 1.00 0.68 H new ATOM 0 HG13 VAL A 113 3.279 -1.086 7.347 1.00 0.68 H new ATOM 0 HG21 VAL A 113 5.695 0.761 7.582 1.00 0.79 H new ATOM 0 HG22 VAL A 113 5.435 -0.612 8.684 1.00 0.79 H new ATOM 0 HG23 VAL A 113 6.969 -0.463 7.794 1.00 0.79 H new ATOM 1681 N LEU A 114 7.926 -3.000 6.614 1.00 0.83 N ATOM 1682 CA LEU A 114 9.304 -2.972 7.076 1.00 0.99 C ATOM 1683 C LEU A 114 9.854 -1.583 6.781 1.00 0.99 C ATOM 1684 O LEU A 114 10.145 -1.238 5.637 1.00 1.07 O ATOM 1685 CB LEU A 114 10.118 -4.049 6.360 1.00 1.27 C ATOM 1686 CG LEU A 114 11.625 -4.066 6.664 1.00 0.90 C ATOM 1687 CD1 LEU A 114 11.912 -4.571 8.081 1.00 1.69 C ATOM 1688 CD2 LEU A 114 12.327 -4.988 5.661 1.00 2.27 C ATOM 0 H LEU A 114 7.853 -3.064 5.599 1.00 0.83 H new ATOM 0 HA LEU A 114 9.363 -3.177 8.145 1.00 0.99 H new ATOM 0 HB2 LEU A 114 9.704 -5.023 6.620 1.00 1.27 H new ATOM 0 HB3 LEU A 114 9.985 -3.923 5.285 1.00 1.27 H new ATOM 0 HG LEU A 114 11.997 -3.045 6.583 1.00 0.90 H new ATOM 0 HD11 LEU A 114 12.988 -4.568 8.257 1.00 1.69 H new ATOM 0 HD12 LEU A 114 11.424 -3.919 8.805 1.00 1.69 H new ATOM 0 HD13 LEU A 114 11.529 -5.586 8.190 1.00 1.69 H new ATOM 0 HD21 LEU A 114 13.397 -5.006 5.870 1.00 2.27 H new ATOM 0 HD22 LEU A 114 11.923 -5.997 5.750 1.00 2.27 H new ATOM 0 HD23 LEU A 114 12.161 -4.618 4.649 1.00 2.27 H new ATOM 1700 N TYR A 115 10.055 -0.822 7.849 1.00 1.08 N ATOM 1701 CA TYR A 115 10.784 0.435 7.891 1.00 1.21 C ATOM 1702 C TYR A 115 12.257 0.031 7.840 1.00 1.13 C ATOM 1703 O TYR A 115 12.961 -0.005 8.847 1.00 1.24 O ATOM 1704 CB TYR A 115 10.351 1.215 9.157 1.00 1.47 C ATOM 1705 CG TYR A 115 11.273 2.297 9.703 1.00 1.68 C ATOM 1706 CD1 TYR A 115 12.187 1.983 10.732 1.00 2.97 C ATOM 1707 CD2 TYR A 115 11.043 3.646 9.378 1.00 2.36 C ATOM 1708 CE1 TYR A 115 12.893 2.998 11.398 1.00 3.95 C ATOM 1709 CE2 TYR A 115 11.720 4.662 10.076 1.00 2.97 C ATOM 1710 CZ TYR A 115 12.643 4.341 11.082 1.00 3.58 C ATOM 1711 OH TYR A 115 13.228 5.338 11.804 1.00 4.61 O ATOM 0 H TYR A 115 9.690 -1.084 8.765 1.00 1.08 H new ATOM 0 HA TYR A 115 10.584 1.118 7.066 1.00 1.21 H new ATOM 0 HB2 TYR A 115 9.387 1.678 8.946 1.00 1.47 H new ATOM 0 HB3 TYR A 115 10.188 0.488 9.953 1.00 1.47 H new ATOM 0 HD1 TYR A 115 12.345 0.951 11.010 1.00 2.97 H new ATOM 0 HD2 TYR A 115 10.347 3.901 8.593 1.00 2.36 H new ATOM 0 HE1 TYR A 115 13.625 2.745 12.150 1.00 3.95 H new ATOM 0 HE2 TYR A 115 11.528 5.697 9.836 1.00 2.97 H new ATOM 0 HH TYR A 115 14.169 5.117 11.963 1.00 4.61 H new ATOM 1721 N ASN A 116 12.690 -0.351 6.634 1.00 1.05 N ATOM 1722 CA ASN A 116 14.074 -0.611 6.263 1.00 1.04 C ATOM 1723 C ASN A 116 14.672 -1.817 7.007 1.00 0.82 C ATOM 1724 O ASN A 116 14.932 -2.847 6.388 1.00 0.85 O ATOM 1725 CB ASN A 116 14.875 0.692 6.399 1.00 1.37 C ATOM 1726 CG ASN A 116 16.287 0.614 5.835 1.00 1.99 C ATOM 1727 OD1 ASN A 116 16.519 0.042 4.775 1.00 2.88 O ATOM 1728 ND2 ASN A 116 17.268 1.142 6.562 1.00 2.90 N ATOM 0 H ASN A 116 12.047 -0.493 5.855 1.00 1.05 H new ATOM 0 HA ASN A 116 14.124 -0.918 5.218 1.00 1.04 H new ATOM 0 HB2 ASN A 116 14.336 1.492 5.892 1.00 1.37 H new ATOM 0 HB3 ASN A 116 14.931 0.964 7.453 1.00 1.37 H new ATOM 0 HD21 ASN A 116 18.234 1.075 6.241 1.00 2.90 H new ATOM 0 HD22 ASN A 116 17.054 1.614 7.441 1.00 2.90 H new ATOM 1735 N GLN A 117 14.906 -1.712 8.320 1.00 0.78 N ATOM 1736 CA GLN A 117 15.451 -2.772 9.170 1.00 0.80 C ATOM 1737 C GLN A 117 14.616 -2.988 10.451 1.00 0.96 C ATOM 1738 O GLN A 117 15.072 -3.684 11.356 1.00 1.58 O ATOM 1739 CB GLN A 117 16.931 -2.473 9.503 1.00 1.21 C ATOM 1740 CG GLN A 117 17.945 -2.928 8.438 1.00 2.07 C ATOM 1741 CD GLN A 117 18.193 -1.913 7.326 1.00 2.93 C ATOM 1742 OE1 GLN A 117 19.007 -1.006 7.477 1.00 3.29 O ATOM 1743 NE2 GLN A 117 17.516 -2.062 6.193 1.00 3.99 N ATOM 0 H GLN A 117 14.713 -0.854 8.837 1.00 0.78 H new ATOM 0 HA GLN A 117 15.398 -3.707 8.612 1.00 0.80 H new ATOM 0 HB2 GLN A 117 17.043 -1.399 9.654 1.00 1.21 H new ATOM 0 HB3 GLN A 117 17.179 -2.956 10.448 1.00 1.21 H new ATOM 0 HG2 GLN A 117 18.893 -3.150 8.928 1.00 2.07 H new ATOM 0 HG3 GLN A 117 17.592 -3.858 7.992 1.00 2.07 H new ATOM 0 HE21 GLN A 117 16.846 -2.825 6.096 1.00 3.99 H new ATOM 0 HE22 GLN A 117 17.666 -1.414 5.420 1.00 3.99 H new ATOM 1752 N ALA A 118 13.399 -2.438 10.557 1.00 0.86 N ATOM 1753 CA ALA A 118 12.490 -2.708 11.675 1.00 0.98 C ATOM 1754 C ALA A 118 11.067 -2.454 11.187 1.00 0.88 C ATOM 1755 O ALA A 118 10.915 -1.853 10.132 1.00 1.36 O ATOM 1756 CB ALA A 118 12.837 -1.825 12.878 1.00 1.26 C ATOM 0 H ALA A 118 13.018 -1.791 9.867 1.00 0.86 H new ATOM 0 HA ALA A 118 12.586 -3.742 12.007 1.00 0.98 H new ATOM 0 HB1 ALA A 118 12.151 -2.040 13.697 1.00 1.26 H new ATOM 0 HB2 ALA A 118 13.859 -2.030 13.197 1.00 1.26 H new ATOM 0 HB3 ALA A 118 12.748 -0.776 12.597 1.00 1.26 H new ATOM 1762 N GLU A 119 10.025 -2.918 11.886 1.00 1.00 N ATOM 1763 CA GLU A 119 8.708 -3.057 11.272 1.00 1.05 C ATOM 1764 C GLU A 119 7.566 -2.724 12.230 1.00 1.10 C ATOM 1765 O GLU A 119 6.552 -3.419 12.309 1.00 2.06 O ATOM 1766 CB GLU A 119 8.600 -4.539 10.868 1.00 1.37 C ATOM 1767 CG GLU A 119 8.569 -5.545 12.044 1.00 2.61 C ATOM 1768 CD GLU A 119 9.821 -5.597 12.909 1.00 4.60 C ATOM 1769 OE1 GLU A 119 9.895 -4.741 13.828 1.00 5.78 O ATOM 1770 OE2 GLU A 119 10.692 -6.442 12.632 1.00 5.61 O ATOM 0 H GLU A 119 10.070 -3.200 12.865 1.00 1.00 H new ATOM 0 HA GLU A 119 8.618 -2.365 10.435 1.00 1.05 H new ATOM 0 HB2 GLU A 119 7.696 -4.672 10.274 1.00 1.37 H new ATOM 0 HB3 GLU A 119 9.444 -4.785 10.223 1.00 1.37 H new ATOM 0 HG2 GLU A 119 7.720 -5.302 12.682 1.00 2.61 H new ATOM 0 HG3 GLU A 119 8.389 -6.541 11.640 1.00 2.61 H new ATOM 1777 N LYS A 120 7.600 -1.542 12.834 1.00 0.71 N ATOM 1778 CA LYS A 120 6.584 -1.159 13.801 1.00 0.76 C ATOM 1779 C LYS A 120 5.553 -0.314 13.073 1.00 0.72 C ATOM 1780 O LYS A 120 5.382 0.881 13.315 1.00 0.98 O ATOM 1781 CB LYS A 120 7.249 -0.588 15.061 1.00 1.04 C ATOM 1782 CG LYS A 120 6.809 -1.270 16.369 1.00 1.69 C ATOM 1783 CD LYS A 120 6.482 -2.774 16.373 1.00 1.77 C ATOM 1784 CE LYS A 120 7.443 -3.775 15.701 1.00 2.95 C ATOM 1785 NZ LYS A 120 8.873 -3.448 15.843 1.00 4.88 N ATOM 0 H LYS A 120 8.318 -0.836 12.671 1.00 0.71 H new ATOM 0 HA LYS A 120 6.014 -1.995 14.208 1.00 0.76 H new ATOM 0 HB2 LYS A 120 8.330 -0.681 14.962 1.00 1.04 H new ATOM 0 HB3 LYS A 120 7.025 0.477 15.126 1.00 1.04 H new ATOM 0 HG2 LYS A 120 7.598 -1.107 17.103 1.00 1.69 H new ATOM 0 HG3 LYS A 120 5.925 -0.744 16.729 1.00 1.69 H new ATOM 0 HD2 LYS A 120 6.373 -3.079 17.414 1.00 1.77 H new ATOM 0 HD3 LYS A 120 5.507 -2.895 15.901 1.00 1.77 H new ATOM 0 HE2 LYS A 120 7.267 -4.765 16.122 1.00 2.95 H new ATOM 0 HE3 LYS A 120 7.201 -3.833 14.640 1.00 2.95 H new ATOM 0 HZ1 LYS A 120 9.445 -4.181 15.377 1.00 4.88 H new ATOM 0 HZ2 LYS A 120 9.064 -2.526 15.400 1.00 4.88 H new ATOM 0 HZ3 LYS A 120 9.121 -3.405 16.852 1.00 4.88 H new ATOM 1799 N GLY A 121 4.913 -0.991 12.118 1.00 0.60 N ATOM 1800 CA GLY A 121 3.878 -0.390 11.296 1.00 0.52 C ATOM 1801 C GLY A 121 2.945 -1.397 10.637 1.00 0.45 C ATOM 1802 O GLY A 121 3.386 -2.213 9.827 1.00 0.62 O ATOM 0 H GLY A 121 5.102 -1.969 11.898 1.00 0.60 H new ATOM 0 HA2 GLY A 121 3.287 0.287 11.912 1.00 0.52 H new ATOM 0 HA3 GLY A 121 4.350 0.214 10.521 1.00 0.52 H new ATOM 1806 N SER A 122 1.649 -1.292 10.932 1.00 0.93 N ATOM 1807 CA SER A 122 0.581 -1.917 10.173 1.00 0.84 C ATOM 1808 C SER A 122 0.187 -1.011 8.997 1.00 0.65 C ATOM 1809 O SER A 122 0.588 0.156 8.934 1.00 0.74 O ATOM 1810 CB SER A 122 -0.596 -2.209 11.113 1.00 0.92 C ATOM 1811 OG SER A 122 -0.448 -1.517 12.342 1.00 1.14 O ATOM 0 H SER A 122 1.310 -0.753 11.729 1.00 0.93 H new ATOM 0 HA SER A 122 0.910 -2.866 9.750 1.00 0.84 H new ATOM 0 HB2 SER A 122 -1.530 -1.913 10.635 1.00 0.92 H new ATOM 0 HB3 SER A 122 -0.659 -3.281 11.300 1.00 0.92 H new ATOM 0 HG SER A 122 -1.307 -1.122 12.600 1.00 1.14 H new ATOM 1817 N TYR A 123 -0.582 -1.549 8.047 1.00 0.74 N ATOM 1818 CA TYR A 123 -1.019 -0.840 6.857 1.00 0.65 C ATOM 1819 C TYR A 123 -2.348 -1.417 6.385 1.00 0.60 C ATOM 1820 O TYR A 123 -2.642 -2.584 6.634 1.00 0.82 O ATOM 1821 CB TYR A 123 0.077 -0.950 5.784 1.00 1.03 C ATOM 1822 CG TYR A 123 -0.354 -0.726 4.344 1.00 0.70 C ATOM 1823 CD1 TYR A 123 -0.147 0.515 3.718 1.00 1.78 C ATOM 1824 CD2 TYR A 123 -0.841 -1.808 3.587 1.00 1.75 C ATOM 1825 CE1 TYR A 123 -0.281 0.632 2.324 1.00 2.22 C ATOM 1826 CE2 TYR A 123 -1.014 -1.682 2.200 1.00 1.90 C ATOM 1827 CZ TYR A 123 -0.663 -0.483 1.560 1.00 1.65 C ATOM 1828 OH TYR A 123 -0.647 -0.412 0.200 1.00 2.21 O ATOM 0 H TYR A 123 -0.921 -2.510 8.091 1.00 0.74 H new ATOM 0 HA TYR A 123 -1.178 0.217 7.069 1.00 0.65 H new ATOM 0 HB2 TYR A 123 0.859 -0.229 6.021 1.00 1.03 H new ATOM 0 HB3 TYR A 123 0.525 -1.941 5.855 1.00 1.03 H new ATOM 0 HD1 TYR A 123 0.115 1.380 4.309 1.00 1.78 H new ATOM 0 HD2 TYR A 123 -1.083 -2.740 4.076 1.00 1.75 H new ATOM 0 HE1 TYR A 123 -0.090 1.579 1.840 1.00 2.22 H new ATOM 0 HE2 TYR A 123 -1.416 -2.505 1.627 1.00 1.90 H new ATOM 0 HH TYR A 123 -0.861 -1.291 -0.176 1.00 2.21 H new ATOM 1838 N SER A 124 -3.149 -0.621 5.678 1.00 0.53 N ATOM 1839 CA SER A 124 -4.349 -1.126 5.043 1.00 0.61 C ATOM 1840 C SER A 124 -4.654 -0.271 3.820 1.00 0.57 C ATOM 1841 O SER A 124 -4.421 0.939 3.844 1.00 0.77 O ATOM 1842 CB SER A 124 -5.499 -1.159 6.053 1.00 0.79 C ATOM 1843 OG SER A 124 -6.624 -1.803 5.497 1.00 2.27 O ATOM 0 H SER A 124 -2.982 0.375 5.535 1.00 0.53 H new ATOM 0 HA SER A 124 -4.207 -2.152 4.702 1.00 0.61 H new ATOM 0 HB2 SER A 124 -5.183 -1.681 6.956 1.00 0.79 H new ATOM 0 HB3 SER A 124 -5.762 -0.143 6.347 1.00 0.79 H new ATOM 0 HG SER A 124 -6.328 -2.535 4.917 1.00 2.27 H new ATOM 1849 N LEU A 125 -5.115 -0.914 2.743 1.00 0.59 N ATOM 1850 CA LEU A 125 -5.287 -0.268 1.440 1.00 0.64 C ATOM 1851 C LEU A 125 -6.394 -0.937 0.638 1.00 0.69 C ATOM 1852 O LEU A 125 -6.452 -2.158 0.592 1.00 0.76 O ATOM 1853 CB LEU A 125 -3.945 -0.317 0.703 1.00 0.66 C ATOM 1854 CG LEU A 125 -3.904 0.162 -0.755 1.00 0.70 C ATOM 1855 CD1 LEU A 125 -4.364 -0.875 -1.782 1.00 0.82 C ATOM 1856 CD2 LEU A 125 -4.533 1.529 -0.994 1.00 0.77 C ATOM 0 H LEU A 125 -5.380 -1.899 2.751 1.00 0.59 H new ATOM 0 HA LEU A 125 -5.590 0.770 1.575 1.00 0.64 H new ATOM 0 HB2 LEU A 125 -3.231 0.280 1.270 1.00 0.66 H new ATOM 0 HB3 LEU A 125 -3.589 -1.347 0.726 1.00 0.66 H new ATOM 0 HG LEU A 125 -2.837 0.295 -0.931 1.00 0.70 H new ATOM 0 HD11 LEU A 125 -4.301 -0.448 -2.783 1.00 0.82 H new ATOM 0 HD12 LEU A 125 -3.724 -1.755 -1.722 1.00 0.82 H new ATOM 0 HD13 LEU A 125 -5.395 -1.161 -1.574 1.00 0.82 H new ATOM 0 HD21 LEU A 125 -4.458 1.784 -2.051 1.00 0.77 H new ATOM 0 HD22 LEU A 125 -5.582 1.503 -0.701 1.00 0.77 H new ATOM 0 HD23 LEU A 125 -4.009 2.279 -0.401 1.00 0.77 H new ATOM 1868 N GLY A 126 -7.245 -0.151 -0.020 1.00 0.70 N ATOM 1869 CA GLY A 126 -8.375 -0.610 -0.825 1.00 0.70 C ATOM 1870 C GLY A 126 -8.345 0.040 -2.208 1.00 0.87 C ATOM 1871 O GLY A 126 -7.822 1.145 -2.354 1.00 1.35 O ATOM 0 H GLY A 126 -7.162 0.866 -0.006 1.00 0.70 H new ATOM 0 HA2 GLY A 126 -8.341 -1.695 -0.926 1.00 0.70 H new ATOM 0 HA3 GLY A 126 -9.311 -0.366 -0.322 1.00 0.70 H new ATOM 1875 N ILE A 127 -8.893 -0.637 -3.222 1.00 0.77 N ATOM 1876 CA ILE A 127 -8.993 -0.130 -4.586 1.00 0.88 C ATOM 1877 C ILE A 127 -10.349 0.535 -4.791 1.00 0.99 C ATOM 1878 O ILE A 127 -11.303 0.202 -4.088 1.00 1.25 O ATOM 1879 CB ILE A 127 -8.804 -1.295 -5.577 1.00 1.10 C ATOM 1880 CG1 ILE A 127 -8.593 -0.802 -7.019 1.00 1.45 C ATOM 1881 CG2 ILE A 127 -9.983 -2.280 -5.562 1.00 1.55 C ATOM 1882 CD1 ILE A 127 -7.315 -1.405 -7.587 1.00 2.26 C ATOM 0 H ILE A 127 -9.286 -1.572 -3.111 1.00 0.77 H new ATOM 0 HA ILE A 127 -8.215 0.613 -4.762 1.00 0.88 H new ATOM 0 HB ILE A 127 -7.907 -1.814 -5.238 1.00 1.10 H new ATOM 0 HG12 ILE A 127 -9.445 -1.083 -7.638 1.00 1.45 H new ATOM 0 HG13 ILE A 127 -8.532 0.286 -7.036 1.00 1.45 H new ATOM 0 HG21 ILE A 127 -9.798 -3.080 -6.278 1.00 1.55 H new ATOM 0 HG22 ILE A 127 -10.090 -2.704 -4.564 1.00 1.55 H new ATOM 0 HG23 ILE A 127 -10.899 -1.755 -5.833 1.00 1.55 H new ATOM 0 HD11 ILE A 127 -7.169 -1.053 -8.608 1.00 2.26 H new ATOM 0 HD12 ILE A 127 -6.466 -1.102 -6.974 1.00 2.26 H new ATOM 0 HD13 ILE A 127 -7.394 -2.492 -7.585 1.00 2.26 H new ATOM 1894 N PHE A 128 -10.476 1.413 -5.791 1.00 0.88 N ATOM 1895 CA PHE A 128 -11.788 1.803 -6.263 1.00 0.88 C ATOM 1896 C PHE A 128 -11.814 2.270 -7.714 1.00 1.39 C ATOM 1897 O PHE A 128 -10.784 2.424 -8.384 1.00 1.66 O ATOM 1898 CB PHE A 128 -12.434 2.822 -5.309 1.00 1.82 C ATOM 1899 CG PHE A 128 -13.944 2.728 -5.297 1.00 2.53 C ATOM 1900 CD1 PHE A 128 -14.724 3.755 -5.860 1.00 3.32 C ATOM 1901 CD2 PHE A 128 -14.555 1.533 -4.876 1.00 3.53 C ATOM 1902 CE1 PHE A 128 -16.116 3.593 -5.979 1.00 4.29 C ATOM 1903 CE2 PHE A 128 -15.946 1.370 -4.997 1.00 4.56 C ATOM 1904 CZ PHE A 128 -16.727 2.402 -5.546 1.00 4.70 C ATOM 0 H PHE A 128 -9.695 1.855 -6.276 1.00 0.88 H new ATOM 0 HA PHE A 128 -12.395 0.898 -6.256 1.00 0.88 H new ATOM 0 HB2 PHE A 128 -12.055 2.661 -4.300 1.00 1.82 H new ATOM 0 HB3 PHE A 128 -12.138 3.829 -5.604 1.00 1.82 H new ATOM 0 HD1 PHE A 128 -14.254 4.666 -6.200 1.00 3.32 H new ATOM 0 HD2 PHE A 128 -13.954 0.739 -4.459 1.00 3.53 H new ATOM 0 HE1 PHE A 128 -16.717 4.384 -6.403 1.00 4.29 H new ATOM 0 HE2 PHE A 128 -16.414 0.454 -4.669 1.00 4.56 H new ATOM 0 HZ PHE A 128 -17.796 2.280 -5.635 1.00 4.70 H new ATOM 1914 N GLY A 129 -13.051 2.390 -8.203 1.00 2.11 N ATOM 1915 CA GLY A 129 -13.396 2.697 -9.578 1.00 2.93 C ATOM 1916 C GLY A 129 -13.750 1.418 -10.343 1.00 1.99 C ATOM 1917 O GLY A 129 -14.205 1.471 -11.488 1.00 2.66 O ATOM 0 H GLY A 129 -13.875 2.268 -7.614 1.00 2.11 H new ATOM 0 HA2 GLY A 129 -14.240 3.387 -9.602 1.00 2.93 H new ATOM 0 HA3 GLY A 129 -12.560 3.199 -10.065 1.00 2.93 H new ATOM 1921 N GLY A 130 -13.516 0.254 -9.731 1.00 1.19 N ATOM 1922 CA GLY A 130 -13.896 -1.041 -10.270 1.00 1.62 C ATOM 1923 C GLY A 130 -12.833 -1.471 -11.263 1.00 1.66 C ATOM 1924 O GLY A 130 -12.024 -2.349 -10.971 1.00 2.68 O ATOM 0 H GLY A 130 -13.046 0.192 -8.828 1.00 1.19 H new ATOM 0 HA2 GLY A 130 -13.987 -1.774 -9.469 1.00 1.62 H new ATOM 0 HA3 GLY A 130 -14.869 -0.979 -10.757 1.00 1.62 H new ATOM 1928 N LYS A 131 -12.752 -0.768 -12.393 1.00 1.46 N ATOM 1929 CA LYS A 131 -11.623 -0.890 -13.306 1.00 1.46 C ATOM 1930 C LYS A 131 -10.412 -0.116 -12.764 1.00 1.42 C ATOM 1931 O LYS A 131 -9.842 0.706 -13.472 1.00 1.99 O ATOM 1932 CB LYS A 131 -12.045 -0.556 -14.753 1.00 1.79 C ATOM 1933 CG LYS A 131 -12.626 0.848 -14.984 1.00 2.21 C ATOM 1934 CD LYS A 131 -13.158 0.979 -16.420 1.00 2.76 C ATOM 1935 CE LYS A 131 -13.950 2.277 -16.658 1.00 3.66 C ATOM 1936 NZ LYS A 131 -13.132 3.499 -16.502 1.00 3.72 N ATOM 0 H LYS A 131 -13.464 -0.103 -12.697 1.00 1.46 H new ATOM 0 HA LYS A 131 -11.288 -1.926 -13.360 1.00 1.46 H new ATOM 0 HB2 LYS A 131 -11.176 -0.678 -15.400 1.00 1.79 H new ATOM 0 HB3 LYS A 131 -12.785 -1.290 -15.072 1.00 1.79 H new ATOM 0 HG2 LYS A 131 -13.430 1.037 -14.273 1.00 2.21 H new ATOM 0 HG3 LYS A 131 -11.858 1.600 -14.804 1.00 2.21 H new ATOM 0 HD2 LYS A 131 -12.320 0.940 -17.116 1.00 2.76 H new ATOM 0 HD3 LYS A 131 -13.798 0.125 -16.643 1.00 2.76 H new ATOM 0 HE2 LYS A 131 -14.373 2.257 -17.662 1.00 3.66 H new ATOM 0 HE3 LYS A 131 -14.787 2.317 -15.961 1.00 3.66 H new ATOM 0 HZ1 LYS A 131 -13.751 4.334 -16.506 1.00 3.72 H new ATOM 0 HZ2 LYS A 131 -12.614 3.457 -15.601 1.00 3.72 H new ATOM 0 HZ3 LYS A 131 -12.455 3.566 -17.288 1.00 3.72 H new ATOM 1950 N ALA A 132 -10.036 -0.406 -11.505 1.00 1.06 N ATOM 1951 CA ALA A 132 -8.812 -0.011 -10.822 1.00 0.98 C ATOM 1952 C ALA A 132 -8.324 1.380 -11.223 1.00 0.99 C ATOM 1953 O ALA A 132 -7.388 1.484 -12.016 1.00 1.38 O ATOM 1954 CB ALA A 132 -7.753 -1.078 -11.120 1.00 1.16 C ATOM 0 H ALA A 132 -10.635 -0.968 -10.900 1.00 1.06 H new ATOM 0 HA ALA A 132 -9.008 0.055 -9.752 1.00 0.98 H new ATOM 0 HB1 ALA A 132 -6.820 -0.813 -10.622 1.00 1.16 H new ATOM 0 HB2 ALA A 132 -8.098 -2.045 -10.754 1.00 1.16 H new ATOM 0 HB3 ALA A 132 -7.587 -1.135 -12.196 1.00 1.16 H new ATOM 1960 N GLN A 133 -8.936 2.436 -10.672 1.00 0.75 N ATOM 1961 CA GLN A 133 -8.577 3.813 -11.007 1.00 0.77 C ATOM 1962 C GLN A 133 -7.979 4.546 -9.810 1.00 0.74 C ATOM 1963 O GLN A 133 -6.998 5.272 -9.959 1.00 0.91 O ATOM 1964 CB GLN A 133 -9.773 4.566 -11.594 1.00 0.99 C ATOM 1965 CG GLN A 133 -10.056 4.082 -13.028 1.00 1.57 C ATOM 1966 CD GLN A 133 -11.504 3.670 -13.212 1.00 1.57 C ATOM 1967 OE1 GLN A 133 -12.216 4.179 -14.074 1.00 1.98 O ATOM 1968 NE2 GLN A 133 -11.937 2.693 -12.432 1.00 2.34 N ATOM 0 H GLN A 133 -9.688 2.358 -9.987 1.00 0.75 H new ATOM 0 HA GLN A 133 -7.804 3.776 -11.774 1.00 0.77 H new ATOM 0 HB2 GLN A 133 -10.653 4.409 -10.970 1.00 0.99 H new ATOM 0 HB3 GLN A 133 -9.571 5.637 -11.597 1.00 0.99 H new ATOM 0 HG2 GLN A 133 -9.812 4.876 -13.734 1.00 1.57 H new ATOM 0 HG3 GLN A 133 -9.406 3.238 -13.261 1.00 1.57 H new ATOM 0 HE21 GLN A 133 -11.319 2.292 -11.726 1.00 2.34 H new ATOM 0 HE22 GLN A 133 -12.888 2.340 -12.537 1.00 2.34 H new ATOM 1977 N GLU A 134 -8.570 4.356 -8.633 1.00 0.69 N ATOM 1978 CA GLU A 134 -8.119 4.962 -7.395 1.00 0.80 C ATOM 1979 C GLU A 134 -7.632 3.829 -6.498 1.00 0.67 C ATOM 1980 O GLU A 134 -8.172 2.726 -6.584 1.00 1.12 O ATOM 1981 CB GLU A 134 -9.314 5.669 -6.745 1.00 1.17 C ATOM 1982 CG GLU A 134 -10.003 6.670 -7.688 1.00 1.53 C ATOM 1983 CD GLU A 134 -11.349 7.105 -7.125 1.00 2.54 C ATOM 1984 OE1 GLU A 134 -12.175 6.194 -6.886 1.00 3.81 O ATOM 1985 OE2 GLU A 134 -11.528 8.329 -6.953 1.00 2.86 O ATOM 0 H GLU A 134 -9.392 3.763 -8.517 1.00 0.69 H new ATOM 0 HA GLU A 134 -7.321 5.686 -7.559 1.00 0.80 H new ATOM 0 HB2 GLU A 134 -10.040 4.923 -6.423 1.00 1.17 H new ATOM 0 HB3 GLU A 134 -8.977 6.193 -5.851 1.00 1.17 H new ATOM 0 HG2 GLU A 134 -9.364 7.542 -7.830 1.00 1.53 H new ATOM 0 HG3 GLU A 134 -10.144 6.215 -8.668 1.00 1.53 H new ATOM 1992 N VAL A 135 -6.670 4.088 -5.609 1.00 0.67 N ATOM 1993 CA VAL A 135 -6.471 3.259 -4.427 1.00 0.67 C ATOM 1994 C VAL A 135 -6.304 4.195 -3.228 1.00 0.79 C ATOM 1995 O VAL A 135 -5.727 5.276 -3.376 1.00 1.24 O ATOM 1996 CB VAL A 135 -5.379 2.166 -4.579 1.00 0.63 C ATOM 1997 CG1 VAL A 135 -5.463 1.420 -5.914 1.00 0.79 C ATOM 1998 CG2 VAL A 135 -3.911 2.577 -4.415 1.00 0.78 C ATOM 0 H VAL A 135 -6.018 4.868 -5.689 1.00 0.67 H new ATOM 0 HA VAL A 135 -7.352 2.638 -4.264 1.00 0.67 H new ATOM 0 HB VAL A 135 -5.635 1.543 -3.722 1.00 0.63 H new ATOM 0 HG11 VAL A 135 -4.674 0.669 -5.961 1.00 0.79 H new ATOM 0 HG12 VAL A 135 -6.434 0.932 -5.998 1.00 0.79 H new ATOM 0 HG13 VAL A 135 -5.340 2.127 -6.734 1.00 0.79 H new ATOM 0 HG21 VAL A 135 -3.272 1.704 -4.550 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -3.659 3.330 -5.161 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -3.758 2.989 -3.417 1.00 0.78 H new ATOM 2008 N ALA A 136 -6.879 3.815 -2.084 1.00 0.76 N ATOM 2009 CA ALA A 136 -6.985 4.635 -0.884 1.00 0.86 C ATOM 2010 C ALA A 136 -6.659 3.763 0.328 1.00 0.79 C ATOM 2011 O ALA A 136 -7.192 2.661 0.452 1.00 0.83 O ATOM 2012 CB ALA A 136 -8.400 5.208 -0.780 1.00 1.03 C ATOM 0 H ALA A 136 -7.298 2.892 -1.968 1.00 0.76 H new ATOM 0 HA ALA A 136 -6.284 5.468 -0.925 1.00 0.86 H new ATOM 0 HB1 ALA A 136 -8.479 5.821 0.118 1.00 1.03 H new ATOM 0 HB2 ALA A 136 -8.610 5.820 -1.657 1.00 1.03 H new ATOM 0 HB3 ALA A 136 -9.120 4.392 -0.726 1.00 1.03 H new ATOM 2018 N GLY A 137 -5.727 4.209 1.170 1.00 0.77 N ATOM 2019 CA GLY A 137 -5.212 3.426 2.282 1.00 0.75 C ATOM 2020 C GLY A 137 -4.597 4.317 3.348 1.00 0.81 C ATOM 2021 O GLY A 137 -4.536 5.541 3.200 1.00 0.91 O ATOM 0 H GLY A 137 -5.307 5.135 1.094 1.00 0.77 H new ATOM 0 HA2 GLY A 137 -6.018 2.837 2.719 1.00 0.75 H new ATOM 0 HA3 GLY A 137 -4.464 2.722 1.918 1.00 0.75 H new ATOM 2025 N SER A 138 -4.083 3.703 4.411 1.00 0.82 N ATOM 2026 CA SER A 138 -3.043 4.340 5.200 1.00 1.03 C ATOM 2027 C SER A 138 -2.026 3.299 5.662 1.00 0.95 C ATOM 2028 O SER A 138 -2.377 2.128 5.821 1.00 0.89 O ATOM 2029 CB SER A 138 -3.650 5.096 6.388 1.00 1.43 C ATOM 2030 OG SER A 138 -4.547 6.098 5.944 1.00 1.83 O ATOM 0 H SER A 138 -4.367 2.780 4.739 1.00 0.82 H new ATOM 0 HA SER A 138 -2.524 5.070 4.578 1.00 1.03 H new ATOM 0 HB2 SER A 138 -4.173 4.397 7.040 1.00 1.43 H new ATOM 0 HB3 SER A 138 -2.855 5.550 6.980 1.00 1.43 H new ATOM 0 HG SER A 138 -4.543 6.130 4.965 1.00 1.83 H new ATOM 2036 N ALA A 139 -0.783 3.735 5.894 1.00 1.05 N ATOM 2037 CA ALA A 139 0.120 3.044 6.809 1.00 0.94 C ATOM 2038 C ALA A 139 0.033 3.740 8.166 1.00 0.75 C ATOM 2039 O ALA A 139 -0.101 4.963 8.205 1.00 0.87 O ATOM 2040 CB ALA A 139 1.563 2.995 6.290 1.00 1.13 C ATOM 0 H ALA A 139 -0.383 4.565 5.458 1.00 1.05 H new ATOM 0 HA ALA A 139 -0.188 2.002 6.898 1.00 0.94 H new ATOM 0 HB1 ALA A 139 2.191 2.470 7.010 1.00 1.13 H new ATOM 0 HB2 ALA A 139 1.589 2.470 5.335 1.00 1.13 H new ATOM 0 HB3 ALA A 139 1.936 4.010 6.156 1.00 1.13 H new ATOM 2046 N GLU A 140 0.089 2.971 9.255 1.00 0.59 N ATOM 2047 CA GLU A 140 0.027 3.471 10.622 1.00 0.74 C ATOM 2048 C GLU A 140 1.322 3.083 11.340 1.00 1.09 C ATOM 2049 O GLU A 140 1.346 2.258 12.253 1.00 1.87 O ATOM 2050 CB GLU A 140 -1.251 2.981 11.317 1.00 1.13 C ATOM 2051 CG GLU A 140 -1.578 1.504 11.059 1.00 2.38 C ATOM 2052 CD GLU A 140 -2.727 1.033 11.942 1.00 3.23 C ATOM 2053 OE1 GLU A 140 -2.691 -0.159 12.316 1.00 4.14 O ATOM 2054 OE2 GLU A 140 -3.605 1.871 12.236 1.00 3.80 O ATOM 0 H GLU A 140 0.181 1.956 9.205 1.00 0.59 H new ATOM 0 HA GLU A 140 -0.040 4.559 10.642 1.00 0.74 H new ATOM 0 HB2 GLU A 140 -1.150 3.137 12.391 1.00 1.13 H new ATOM 0 HB3 GLU A 140 -2.090 3.591 10.983 1.00 1.13 H new ATOM 0 HG2 GLU A 140 -1.841 1.365 10.010 1.00 2.38 H new ATOM 0 HG3 GLU A 140 -0.695 0.894 11.250 1.00 2.38 H new ATOM 2061 N VAL A 141 2.424 3.678 10.886 1.00 0.80 N ATOM 2062 CA VAL A 141 3.755 3.368 11.382 1.00 1.02 C ATOM 2063 C VAL A 141 4.025 4.076 12.714 1.00 1.24 C ATOM 2064 O VAL A 141 3.288 4.978 13.103 1.00 2.00 O ATOM 2065 CB VAL A 141 4.802 3.704 10.305 1.00 1.14 C ATOM 2066 CG1 VAL A 141 4.462 3.043 8.963 1.00 1.76 C ATOM 2067 CG2 VAL A 141 4.935 5.213 10.078 1.00 2.47 C ATOM 0 H VAL A 141 2.413 4.393 10.159 1.00 0.80 H new ATOM 0 HA VAL A 141 3.826 2.300 11.587 1.00 1.02 H new ATOM 0 HB VAL A 141 5.748 3.314 10.680 1.00 1.14 H new ATOM 0 HG11 VAL A 141 5.223 3.302 8.227 1.00 1.76 H new ATOM 0 HG12 VAL A 141 4.432 1.961 9.088 1.00 1.76 H new ATOM 0 HG13 VAL A 141 3.490 3.396 8.620 1.00 1.76 H new ATOM 0 HG21 VAL A 141 5.685 5.401 9.310 1.00 2.47 H new ATOM 0 HG22 VAL A 141 3.976 5.618 9.755 1.00 2.47 H new ATOM 0 HG23 VAL A 141 5.239 5.695 11.007 1.00 2.47 H new ATOM 2077 N LYS A 142 5.108 3.716 13.406 1.00 0.81 N ATOM 2078 CA LYS A 142 5.648 4.529 14.490 1.00 0.86 C ATOM 2079 C LYS A 142 7.100 4.133 14.731 1.00 0.96 C ATOM 2080 O LYS A 142 7.372 2.982 15.062 1.00 1.16 O ATOM 2081 CB LYS A 142 4.806 4.375 15.762 1.00 1.11 C ATOM 2082 CG LYS A 142 4.895 2.956 16.338 1.00 1.25 C ATOM 2083 CD LYS A 142 3.677 2.707 17.237 1.00 1.73 C ATOM 2084 CE LYS A 142 3.703 1.295 17.834 1.00 2.72 C ATOM 2085 NZ LYS A 142 2.504 1.027 18.658 1.00 3.50 N ATOM 0 H LYS A 142 5.630 2.858 13.230 1.00 0.81 H new ATOM 0 HA LYS A 142 5.610 5.582 14.209 1.00 0.86 H new ATOM 0 HB2 LYS A 142 5.144 5.092 16.510 1.00 1.11 H new ATOM 0 HB3 LYS A 142 3.766 4.612 15.540 1.00 1.11 H new ATOM 0 HG2 LYS A 142 4.924 2.223 15.532 1.00 1.25 H new ATOM 0 HG3 LYS A 142 5.816 2.838 16.910 1.00 1.25 H new ATOM 0 HD2 LYS A 142 3.659 3.443 18.041 1.00 1.73 H new ATOM 0 HD3 LYS A 142 2.763 2.843 16.660 1.00 1.73 H new ATOM 0 HE2 LYS A 142 3.764 0.561 17.030 1.00 2.72 H new ATOM 0 HE3 LYS A 142 4.598 1.174 18.444 1.00 2.72 H new ATOM 0 HZ1 LYS A 142 2.557 0.063 19.045 1.00 3.50 H new ATOM 0 HZ2 LYS A 142 2.460 1.712 19.440 1.00 3.50 H new ATOM 0 HZ3 LYS A 142 1.651 1.118 18.070 1.00 3.50 H new ATOM 2099 N THR A 143 8.040 5.058 14.560 1.00 1.04 N ATOM 2100 CA THR A 143 9.449 4.753 14.782 1.00 1.15 C ATOM 2101 C THR A 143 10.160 6.071 15.061 1.00 1.21 C ATOM 2102 O THR A 143 9.528 7.129 15.015 1.00 1.21 O ATOM 2103 CB THR A 143 10.072 4.055 13.551 1.00 1.27 C ATOM 2104 OG1 THR A 143 9.966 4.919 12.446 1.00 1.93 O ATOM 2105 CG2 THR A 143 9.464 2.700 13.169 1.00 2.10 C ATOM 0 H THR A 143 7.853 6.018 14.271 1.00 1.04 H new ATOM 0 HA THR A 143 9.555 4.068 15.623 1.00 1.15 H new ATOM 0 HB THR A 143 11.103 3.840 13.832 1.00 1.27 H new ATOM 0 HG1 THR A 143 10.787 4.870 11.913 1.00 1.93 H new ATOM 0 HG21 THR A 143 9.978 2.304 12.293 1.00 2.10 H new ATOM 0 HG22 THR A 143 9.575 2.004 14.000 1.00 2.10 H new ATOM 0 HG23 THR A 143 8.406 2.827 12.942 1.00 2.10 H new ATOM 2113 N VAL A 144 11.482 6.001 15.253 1.00 1.39 N ATOM 2114 CA VAL A 144 12.377 7.151 15.267 1.00 1.68 C ATOM 2115 C VAL A 144 12.059 8.105 14.108 1.00 1.69 C ATOM 2116 O VAL A 144 12.232 9.313 14.254 1.00 1.98 O ATOM 2117 CB VAL A 144 13.845 6.673 15.245 1.00 1.90 C ATOM 2118 CG1 VAL A 144 14.827 7.853 15.272 1.00 2.61 C ATOM 2119 CG2 VAL A 144 14.152 5.774 16.453 1.00 1.87 C ATOM 0 H VAL A 144 11.967 5.117 15.407 1.00 1.39 H new ATOM 0 HA VAL A 144 12.224 7.714 16.187 1.00 1.68 H new ATOM 0 HB VAL A 144 13.971 6.114 14.318 1.00 1.90 H new ATOM 0 HG11 VAL A 144 15.850 7.476 15.255 1.00 2.61 H new ATOM 0 HG12 VAL A 144 14.659 8.486 14.400 1.00 2.61 H new ATOM 0 HG13 VAL A 144 14.670 8.436 16.179 1.00 2.61 H new ATOM 0 HG21 VAL A 144 15.193 5.452 16.412 1.00 1.87 H new ATOM 0 HG22 VAL A 144 13.981 6.331 17.374 1.00 1.87 H new ATOM 0 HG23 VAL A 144 13.501 4.900 16.431 1.00 1.87 H new ATOM 2129 N ASN A 145 11.547 7.593 12.977 1.00 1.51 N ATOM 2130 CA ASN A 145 10.991 8.461 11.946 1.00 1.54 C ATOM 2131 C ASN A 145 9.745 7.800 11.367 1.00 1.28 C ATOM 2132 O ASN A 145 9.644 7.607 10.157 1.00 1.56 O ATOM 2133 CB ASN A 145 12.007 8.744 10.825 1.00 2.12 C ATOM 2134 CG ASN A 145 13.432 9.040 11.264 1.00 1.95 C ATOM 2135 OD1 ASN A 145 13.900 10.173 11.158 1.00 2.64 O ATOM 2136 ND2 ASN A 145 14.154 7.985 11.611 1.00 1.91 N ATOM 0 H ASN A 145 11.510 6.597 12.762 1.00 1.51 H new ATOM 0 HA ASN A 145 10.737 9.419 12.400 1.00 1.54 H new ATOM 0 HB2 ASN A 145 12.027 7.883 10.157 1.00 2.12 H new ATOM 0 HB3 ASN A 145 11.646 9.591 10.242 1.00 2.12 H new ATOM 0 HD21 ASN A 145 15.150 8.090 11.805 1.00 1.91 H new ATOM 0 HD22 ASN A 145 13.714 7.068 11.684 1.00 1.91 H new ATOM 2143 N GLY A 146 8.772 7.484 12.221 1.00 0.96 N ATOM 2144 CA GLY A 146 7.544 6.836 11.786 1.00 1.00 C ATOM 2145 C GLY A 146 6.414 7.838 11.908 1.00 0.70 C ATOM 2146 O GLY A 146 5.770 7.941 12.952 1.00 0.79 O ATOM 0 H GLY A 146 8.815 7.669 13.223 1.00 0.96 H new ATOM 0 HA2 GLY A 146 7.639 6.493 10.756 1.00 1.00 H new ATOM 0 HA3 GLY A 146 7.341 5.957 12.397 1.00 1.00 H new ATOM 2150 N ILE A 147 6.185 8.580 10.830 1.00 0.70 N ATOM 2151 CA ILE A 147 5.240 9.678 10.814 1.00 0.92 C ATOM 2152 C ILE A 147 3.813 9.131 10.674 1.00 1.14 C ATOM 2153 O ILE A 147 3.219 9.176 9.595 1.00 1.86 O ATOM 2154 CB ILE A 147 5.566 10.663 9.666 1.00 1.21 C ATOM 2155 CG1 ILE A 147 6.000 9.950 8.371 1.00 1.32 C ATOM 2156 CG2 ILE A 147 6.564 11.742 10.094 1.00 1.93 C ATOM 2157 CD1 ILE A 147 7.517 9.840 8.161 1.00 1.30 C ATOM 0 H ILE A 147 6.657 8.431 9.938 1.00 0.70 H new ATOM 0 HA ILE A 147 5.316 10.224 11.754 1.00 0.92 H new ATOM 0 HB ILE A 147 4.631 11.173 9.432 1.00 1.21 H new ATOM 0 HG12 ILE A 147 5.575 8.946 8.368 1.00 1.32 H new ATOM 0 HG13 ILE A 147 5.569 10.480 7.522 1.00 1.32 H new ATOM 0 HG21 ILE A 147 6.761 12.409 9.255 1.00 1.93 H new ATOM 0 HG22 ILE A 147 6.147 12.315 10.923 1.00 1.93 H new ATOM 0 HG23 ILE A 147 7.495 11.272 10.410 1.00 1.93 H new ATOM 0 HD11 ILE A 147 7.718 9.323 7.223 1.00 1.30 H new ATOM 0 HD12 ILE A 147 7.953 10.838 8.126 1.00 1.30 H new ATOM 0 HD13 ILE A 147 7.959 9.280 8.985 1.00 1.30 H new ATOM 2169 N ARG A 148 3.293 8.614 11.794 1.00 0.83 N ATOM 2170 CA ARG A 148 2.134 7.748 11.910 1.00 0.86 C ATOM 2171 C ARG A 148 1.098 7.849 10.790 1.00 0.82 C ATOM 2172 O ARG A 148 0.877 6.860 10.101 1.00 1.18 O ATOM 2173 CB ARG A 148 1.525 7.926 13.305 1.00 0.97 C ATOM 2174 CG ARG A 148 0.532 6.801 13.634 1.00 1.43 C ATOM 2175 CD ARG A 148 -0.661 7.387 14.382 1.00 2.10 C ATOM 2176 NE ARG A 148 -0.315 7.824 15.744 1.00 2.44 N ATOM 2177 CZ ARG A 148 -1.093 8.593 16.527 1.00 3.19 C ATOM 2178 NH1 ARG A 148 -2.162 9.229 16.033 1.00 2.98 N ATOM 2179 NH2 ARG A 148 -0.796 8.723 17.825 1.00 4.92 N ATOM 0 H ARG A 148 3.709 8.810 12.705 1.00 0.83 H new ATOM 0 HA ARG A 148 2.496 6.728 11.782 1.00 0.86 H new ATOM 0 HB2 ARG A 148 2.320 7.941 14.051 1.00 0.97 H new ATOM 0 HB3 ARG A 148 1.017 8.889 13.361 1.00 0.97 H new ATOM 0 HG2 ARG A 148 0.198 6.315 12.717 1.00 1.43 H new ATOM 0 HG3 ARG A 148 1.018 6.037 14.241 1.00 1.43 H new ATOM 0 HD2 ARG A 148 -1.056 8.234 13.822 1.00 2.10 H new ATOM 0 HD3 ARG A 148 -1.455 6.642 14.434 1.00 2.10 H new ATOM 0 HE ARG A 148 0.582 7.521 16.123 1.00 2.44 H new ATOM 0 HH11 ARG A 148 -2.400 9.135 15.046 1.00 2.98 H new ATOM 0 HH12 ARG A 148 -2.739 9.807 16.644 1.00 2.98 H new ATOM 0 HH21 ARG A 148 0.015 8.241 18.213 1.00 4.92 H new ATOM 0 HH22 ARG A 148 -1.380 9.304 18.426 1.00 4.92 H new ATOM 2193 N HIS A 149 0.424 8.992 10.638 1.00 0.71 N ATOM 2194 CA HIS A 149 -0.666 9.131 9.675 1.00 0.74 C ATOM 2195 C HIS A 149 -0.124 9.166 8.240 1.00 0.72 C ATOM 2196 O HIS A 149 -0.165 10.211 7.596 1.00 1.03 O ATOM 2197 CB HIS A 149 -1.513 10.380 9.980 1.00 0.98 C ATOM 2198 CG HIS A 149 -1.839 10.577 11.436 1.00 1.32 C ATOM 2199 ND1 HIS A 149 -1.415 11.631 12.211 1.00 2.89 N ATOM 2200 CD2 HIS A 149 -2.552 9.727 12.236 1.00 1.14 C ATOM 2201 CE1 HIS A 149 -1.857 11.413 13.460 1.00 2.90 C ATOM 2202 NE2 HIS A 149 -2.537 10.253 13.534 1.00 1.54 N ATOM 0 H HIS A 149 0.617 9.838 11.174 1.00 0.71 H new ATOM 0 HA HIS A 149 -1.314 8.259 9.767 1.00 0.74 H new ATOM 0 HB2 HIS A 149 -0.982 11.260 9.618 1.00 0.98 H new ATOM 0 HB3 HIS A 149 -2.445 10.317 9.418 1.00 0.98 H new ATOM 0 HD1 HIS A 149 -0.866 12.431 11.895 1.00 2.89 H new ATOM 0 HD2 HIS A 149 -3.039 8.815 11.923 1.00 1.14 H new ATOM 0 HE1 HIS A 149 -1.690 12.079 14.294 1.00 2.90 H new ATOM 2210 N ILE A 150 0.374 8.040 7.726 1.00 0.76 N ATOM 2211 CA ILE A 150 0.783 7.970 6.336 1.00 0.81 C ATOM 2212 C ILE A 150 -0.467 7.722 5.498 1.00 0.89 C ATOM 2213 O ILE A 150 -0.914 6.581 5.384 1.00 1.20 O ATOM 2214 CB ILE A 150 1.871 6.916 6.100 1.00 0.87 C ATOM 2215 CG1 ILE A 150 3.065 7.170 7.036 1.00 1.16 C ATOM 2216 CG2 ILE A 150 2.307 6.960 4.629 1.00 1.26 C ATOM 2217 CD1 ILE A 150 4.331 6.403 6.642 1.00 1.39 C ATOM 0 H ILE A 150 0.500 7.175 8.252 1.00 0.76 H new ATOM 0 HA ILE A 150 1.243 8.912 6.037 1.00 0.81 H new ATOM 0 HB ILE A 150 1.476 5.924 6.321 1.00 0.87 H new ATOM 0 HG12 ILE A 150 3.286 8.237 7.047 1.00 1.16 H new ATOM 0 HG13 ILE A 150 2.784 6.892 8.052 1.00 1.16 H new ATOM 0 HG21 ILE A 150 3.081 6.212 4.456 1.00 1.26 H new ATOM 0 HG22 ILE A 150 1.450 6.750 3.989 1.00 1.26 H new ATOM 0 HG23 ILE A 150 2.700 7.949 4.396 1.00 1.26 H new ATOM 0 HD11 ILE A 150 5.130 6.632 7.347 1.00 1.39 H new ATOM 0 HD12 ILE A 150 4.128 5.332 6.659 1.00 1.39 H new ATOM 0 HD13 ILE A 150 4.638 6.698 5.638 1.00 1.39 H new ATOM 2229 N GLY A 151 -1.011 8.783 4.904 1.00 0.75 N ATOM 2230 CA GLY A 151 -2.175 8.717 4.045 1.00 0.83 C ATOM 2231 C GLY A 151 -1.735 8.204 2.678 1.00 0.66 C ATOM 2232 O GLY A 151 -0.859 8.784 2.037 1.00 0.72 O ATOM 0 H GLY A 151 -0.642 9.728 5.013 1.00 0.75 H new ATOM 0 HA2 GLY A 151 -2.927 8.055 4.475 1.00 0.83 H new ATOM 0 HA3 GLY A 151 -2.634 9.701 3.951 1.00 0.83 H new ATOM 2236 N LEU A 152 -2.319 7.083 2.252 1.00 0.69 N ATOM 2237 CA LEU A 152 -1.983 6.416 1.009 1.00 0.80 C ATOM 2238 C LEU A 152 -3.067 6.784 0.001 1.00 0.64 C ATOM 2239 O LEU A 152 -4.226 6.421 0.199 1.00 0.67 O ATOM 2240 CB LEU A 152 -1.915 4.911 1.295 1.00 1.12 C ATOM 2241 CG LEU A 152 -1.348 4.014 0.197 1.00 0.88 C ATOM 2242 CD1 LEU A 152 -2.167 4.061 -1.098 1.00 0.67 C ATOM 2243 CD2 LEU A 152 0.124 4.320 -0.071 1.00 1.06 C ATOM 0 H LEU A 152 -3.053 6.609 2.778 1.00 0.69 H new ATOM 0 HA LEU A 152 -1.019 6.717 0.598 1.00 0.80 H new ATOM 0 HB2 LEU A 152 -1.315 4.765 2.193 1.00 1.12 H new ATOM 0 HB3 LEU A 152 -2.923 4.566 1.526 1.00 1.12 H new ATOM 0 HG LEU A 152 -1.421 2.993 0.573 1.00 0.88 H new ATOM 0 HD11 LEU A 152 -1.714 3.403 -1.839 1.00 0.67 H new ATOM 0 HD12 LEU A 152 -3.186 3.732 -0.896 1.00 0.67 H new ATOM 0 HD13 LEU A 152 -2.184 5.081 -1.481 1.00 0.67 H new ATOM 0 HD21 LEU A 152 0.495 3.663 -0.858 1.00 1.06 H new ATOM 0 HD22 LEU A 152 0.228 5.358 -0.386 1.00 1.06 H new ATOM 0 HD23 LEU A 152 0.701 4.157 0.839 1.00 1.06 H new ATOM 2255 N ALA A 153 -2.705 7.523 -1.052 1.00 0.64 N ATOM 2256 CA ALA A 153 -3.643 7.996 -2.061 1.00 0.70 C ATOM 2257 C ALA A 153 -3.042 7.777 -3.445 1.00 0.62 C ATOM 2258 O ALA A 153 -1.902 8.183 -3.680 1.00 0.80 O ATOM 2259 CB ALA A 153 -3.937 9.480 -1.821 1.00 1.03 C ATOM 0 H ALA A 153 -1.742 7.810 -1.225 1.00 0.64 H new ATOM 0 HA ALA A 153 -4.580 7.442 -1.996 1.00 0.70 H new ATOM 0 HB1 ALA A 153 -4.639 9.838 -2.574 1.00 1.03 H new ATOM 0 HB2 ALA A 153 -4.371 9.609 -0.830 1.00 1.03 H new ATOM 0 HB3 ALA A 153 -3.010 10.050 -1.888 1.00 1.03 H new ATOM 2265 N ALA A 154 -3.782 7.123 -4.346 1.00 0.67 N ATOM 2266 CA ALA A 154 -3.312 6.799 -5.686 1.00 0.61 C ATOM 2267 C ALA A 154 -4.214 7.336 -6.783 1.00 0.67 C ATOM 2268 O ALA A 154 -5.412 7.520 -6.579 1.00 0.83 O ATOM 2269 CB ALA A 154 -3.225 5.287 -5.831 1.00 0.81 C ATOM 0 H ALA A 154 -4.732 6.803 -4.159 1.00 0.67 H new ATOM 0 HA ALA A 154 -2.337 7.273 -5.802 1.00 0.61 H new ATOM 0 HB1 ALA A 154 -2.874 5.037 -6.832 1.00 0.81 H new ATOM 0 HB2 ALA A 154 -2.528 4.890 -5.092 1.00 0.81 H new ATOM 0 HB3 ALA A 154 -4.210 4.849 -5.672 1.00 0.81 H new ATOM 2275 N LYS A 155 -3.612 7.515 -7.960 1.00 0.71 N ATOM 2276 CA LYS A 155 -4.305 7.710 -9.214 1.00 0.79 C ATOM 2277 C LYS A 155 -3.378 7.261 -10.342 1.00 0.99 C ATOM 2278 O LYS A 155 -2.408 7.942 -10.671 1.00 1.39 O ATOM 2279 CB LYS A 155 -4.754 9.166 -9.401 1.00 1.12 C ATOM 2280 CG LYS A 155 -5.466 9.340 -10.757 1.00 1.83 C ATOM 2281 CD LYS A 155 -4.651 10.236 -11.703 1.00 2.77 C ATOM 2282 CE LYS A 155 -5.330 10.439 -13.068 1.00 4.24 C ATOM 2283 NZ LYS A 155 -5.244 9.244 -13.931 1.00 5.75 N ATOM 0 H LYS A 155 -2.597 7.527 -8.059 1.00 0.71 H new ATOM 0 HA LYS A 155 -5.217 7.113 -9.222 1.00 0.79 H new ATOM 0 HB2 LYS A 155 -5.425 9.453 -8.591 1.00 1.12 H new ATOM 0 HB3 LYS A 155 -3.890 9.829 -9.349 1.00 1.12 H new ATOM 0 HG2 LYS A 155 -5.619 8.364 -11.218 1.00 1.83 H new ATOM 0 HG3 LYS A 155 -6.452 9.776 -10.599 1.00 1.83 H new ATOM 0 HD2 LYS A 155 -4.496 11.207 -11.232 1.00 2.77 H new ATOM 0 HD3 LYS A 155 -3.666 9.794 -11.855 1.00 2.77 H new ATOM 0 HE2 LYS A 155 -6.378 10.696 -12.913 1.00 4.24 H new ATOM 0 HE3 LYS A 155 -4.867 11.284 -13.577 1.00 4.24 H new ATOM 0 HZ1 LYS A 155 -5.657 9.457 -14.861 1.00 5.75 H new ATOM 0 HZ2 LYS A 155 -4.247 8.972 -14.048 1.00 5.75 H new ATOM 0 HZ3 LYS A 155 -5.768 8.460 -13.492 1.00 5.75 H new ATOM 2297 N GLN A 156 -3.727 6.132 -10.947 1.00 1.14 N ATOM 2298 CA GLN A 156 -3.309 5.763 -12.283 1.00 1.28 C ATOM 2299 C GLN A 156 -3.994 6.736 -13.244 1.00 1.83 C ATOM 2300 O GLN A 156 -3.300 7.538 -13.908 1.00 2.63 O ATOM 2301 CB GLN A 156 -3.653 4.301 -12.586 1.00 1.59 C ATOM 2302 CG GLN A 156 -4.980 3.830 -11.981 1.00 1.80 C ATOM 2303 CD GLN A 156 -4.828 3.259 -10.565 1.00 2.48 C ATOM 2304 OE1 GLN A 156 -4.324 3.895 -9.645 1.00 3.92 O ATOM 2305 NE2 GLN A 156 -5.273 2.030 -10.369 1.00 2.32 N ATOM 0 H GLN A 156 -4.324 5.433 -10.505 1.00 1.14 H new ATOM 0 HA GLN A 156 -2.227 5.834 -12.392 1.00 1.28 H new ATOM 0 HB2 GLN A 156 -3.691 4.165 -13.667 1.00 1.59 H new ATOM 0 HB3 GLN A 156 -2.850 3.665 -12.212 1.00 1.59 H new ATOM 0 HG2 GLN A 156 -5.678 4.667 -11.956 1.00 1.80 H new ATOM 0 HG3 GLN A 156 -5.417 3.069 -12.628 1.00 1.80 H new ATOM 0 HE21 GLN A 156 -5.690 1.510 -11.141 1.00 2.32 H new ATOM 0 HE22 GLN A 156 -5.199 1.602 -9.446 1.00 2.32 H new